Browse entries in the PDBbind-CN Database
HEADER 3DJP_COMPLEX COMPND 3DJP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU SER ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER GLY ASN SER PRO SER SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN LEU MET MET CYS CYS ARG LYS MET THR GLN GLY LYS SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL LYS ALA VAL CYS SER GLN LYS LYS VAL THR CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER LYS SER THR SEQRES 7 A 124 MET ARG ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN VAL GLU LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLY GLY LYS PRO SER VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL SEQRES 1 B 124 LYS GLU SER ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 B 124 ASP SER GLY ASN SER PRO SER SER SER SER ASN TYR CYS SEQRES 3 B 124 ASN LEU MET MET CYS CYS ARG LYS MET THR GLN GLY LYS SEQRES 4 B 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 B 124 ASP VAL LYS ALA VAL CYS SER GLN LYS LYS VAL THR CYS SEQRES 6 B 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER LYS SER THR SEQRES 7 B 124 MET ARG ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 B 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN VAL GLU LYS SEQRES 9 B 124 HIS ILE ILE VAL ALA CYS GLY GLY LYS PRO SER VAL PRO SEQRES 10 B 124 VAL HIS PHE ASP ALA SER VAL HET UA A 3 32 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 SSBOND 5 CYS B 65 CYS B 72 SSBOND 6 CYS B 26 CYS B 84 SSBOND 7 CYS B 40 CYS B 95 SSBOND 8 CYS B 58 CYS B 110 SSBOND 9 CYS A 32 CYS B 31 SSBOND 10 CYS A 31 CYS B 32 ATOM 1 N LYS A 1 15.387 23.078 32.765 1.00 16.20 N ATOM 2 CA LYS A 1 15.102 21.799 32.039 1.00 16.05 C ATOM 3 C LYS A 1 14.113 22.005 30.885 1.00 14.99 C ATOM 4 O LYS A 1 13.001 22.514 31.088 1.00 15.76 O ATOM 5 CB LYS A 1 14.601 20.733 33.035 1.00 16.59 C ATOM 6 CG LYS A 1 13.920 19.502 32.421 1.00 18.55 C ATOM 7 CD LYS A 1 14.917 18.495 31.853 1.00 21.65 C ATOM 8 CE LYS A 1 14.195 17.225 31.396 1.00 23.05 C ATOM 9 NZ LYS A 1 15.064 16.355 30.547 1.00 24.88 N ATOM 10 HA LYS A 1 16.030 21.445 31.589 1.00 0.00 H ATOM 11 HB2 LYS A 1 15.459 20.387 33.612 1.00 0.00 H ATOM 12 HB3 LYS A 1 13.885 21.212 33.703 1.00 0.00 H ATOM 13 HG2 LYS A 1 13.329 19.009 33.193 1.00 0.00 H ATOM 14 HG3 LYS A 1 13.262 19.832 31.617 1.00 0.00 H ATOM 15 HD2 LYS A 1 15.432 18.941 31.002 1.00 0.00 H ATOM 16 HD3 LYS A 1 15.645 18.237 32.623 1.00 0.00 H ATOM 17 HE2 LYS A 1 13.314 17.510 30.821 1.00 0.00 H ATOM 18 HE3 LYS A 1 13.886 16.661 32.276 1.00 0.00 H ATOM 19 HZ1 LYS A 1 15.358 16.882 29.700 1.00 0.00 H ATOM 20 HZ2 LYS A 1 15.905 16.071 31.090 1.00 0.00 H ATOM 21 HZ3 LYS A 1 14.532 15.508 30.262 1.00 0.00 H ATOM 22 HN3 LYS A 1 14.502 23.457 33.158 1.00 0.00 H ATOM 23 HN2 LYS A 1 15.797 23.767 32.103 1.00 0.00 H ATOM 24 HN1 LYS A 1 16.059 22.895 33.537 1.00 0.00 H ATOM 25 N GLU A 2 14.529 21.625 29.675 1.00 12.72 N ATOM 26 CA GLU A 2 13.650 21.670 28.503 1.00 10.84 C ATOM 27 C GLU A 2 12.377 20.868 28.766 1.00 10.25 C ATOM 28 O GLU A 2 12.434 19.676 29.084 1.00 10.15 O ATOM 29 CB GLU A 2 14.361 21.131 27.255 1.00 10.87 C ATOM 30 CG GLU A 2 13.529 21.258 25.984 1.00 9.54 C ATOM 31 CD GLU A 2 14.232 20.710 24.748 1.00 10.16 C ATOM 32 OE1 GLU A 2 14.840 19.623 24.822 1.00 10.55 O ATOM 33 OE2 GLU A 2 14.178 21.376 23.701 1.00 10.85 O ATOM 34 HA GLU A 2 13.386 22.712 28.321 1.00 0.00 H ATOM 35 HB2 GLU A 2 15.289 21.686 27.118 1.00 0.00 H ATOM 36 HB3 GLU A 2 14.590 20.077 27.415 1.00 0.00 H ATOM 37 HG2 GLU A 2 12.597 20.711 26.124 1.00 0.00 H ATOM 38 HG3 GLU A 2 13.308 22.312 25.818 1.00 0.00 H ATOM 39 H GLU A 2 15.506 21.287 29.560 1.00 0.00 H ATOM 40 N SER A 3 11.229 21.524 28.631 1.00 8.70 N ATOM 41 CA SER A 3 9.963 20.832 28.867 1.00 7.78 C ATOM 42 C SER A 3 9.719 19.806 27.764 1.00 7.55 C ATOM 43 O SER A 3 10.291 19.893 26.658 1.00 6.81 O ATOM 44 CB SER A 3 8.802 21.817 28.935 1.00 7.76 C ATOM 45 OG SER A 3 8.467 22.321 27.647 1.00 7.93 O ATOM 46 HA SER A 3 10.027 20.320 29.827 1.00 0.00 H ATOM 47 HB2 SER A 3 9.082 22.650 29.580 1.00 0.00 H ATOM 48 HB3 SER A 3 7.932 21.311 29.354 1.00 0.00 H ATOM 49 HG SER A 3 7.712 22.956 27.728 1.00 0.00 H ATOM 50 H SER A 3 11.231 22.528 28.358 1.00 0.00 H ATOM 51 N ALA A 4 8.884 18.821 28.067 1.00 7.35 N ATOM 52 CA ALA A 4 8.558 17.817 27.054 1.00 7.51 C ATOM 53 C ALA A 4 7.881 18.477 25.868 1.00 7.31 C ATOM 54 O ALA A 4 8.125 18.109 24.715 1.00 7.63 O ATOM 55 CB ALA A 4 7.659 16.742 27.644 1.00 7.54 C ATOM 56 HA ALA A 4 9.482 17.347 26.716 1.00 0.00 H ATOM 57 HB1 ALA A 4 8.172 16.256 28.474 1.00 0.00 H ATOM 58 HB2 ALA A 4 6.736 17.198 28.003 1.00 0.00 H ATOM 59 HB3 ALA A 4 7.426 16.003 26.877 1.00 0.00 H ATOM 60 H ALA A 4 8.464 18.763 29.017 1.00 0.00 H ATOM 61 N ALA A 5 7.017 19.451 26.140 1.00 7.49 N ATOM 62 CA ALA A 5 6.281 20.145 25.066 1.00 7.17 C ATOM 63 C ALA A 5 7.264 20.869 24.159 1.00 7.79 C ATOM 64 O ALA A 5 7.187 20.733 22.957 1.00 8.00 O ATOM 65 CB ALA A 5 5.265 21.124 25.640 1.00 7.70 C ATOM 66 HA ALA A 5 5.734 19.403 24.484 1.00 0.00 H ATOM 67 HB1 ALA A 5 4.550 20.582 26.259 1.00 0.00 H ATOM 68 HB2 ALA A 5 5.782 21.868 26.246 1.00 0.00 H ATOM 69 HB3 ALA A 5 4.739 21.620 24.824 1.00 0.00 H ATOM 70 H ALA A 5 6.857 19.729 27.129 1.00 0.00 H ATOM 71 N ALA A 6 8.223 21.573 24.754 1.00 6.93 N ATOM 72 CA ALA A 6 9.245 22.279 23.989 1.00 7.89 C ATOM 73 C ALA A 6 10.159 21.330 23.229 1.00 8.03 C ATOM 74 O ALA A 6 10.596 21.637 22.129 1.00 8.79 O ATOM 75 CB ALA A 6 10.071 23.186 24.915 1.00 7.68 C ATOM 76 HA ALA A 6 8.728 22.890 23.249 1.00 0.00 H ATOM 77 HB1 ALA A 6 9.413 23.914 25.389 1.00 0.00 H ATOM 78 HB2 ALA A 6 10.554 22.578 25.680 1.00 0.00 H ATOM 79 HB3 ALA A 6 10.829 23.706 24.330 1.00 0.00 H ATOM 80 H ALA A 6 8.245 21.621 25.793 1.00 0.00 H ATOM 81 N LYS A 7 10.462 20.180 23.828 1.00 7.82 N ATOM 82 CA LYS A 7 11.327 19.195 23.158 1.00 7.72 C ATOM 83 C LYS A 7 10.640 18.674 21.910 1.00 7.62 C ATOM 84 O LYS A 7 11.271 18.491 20.873 1.00 8.46 O ATOM 85 CB LYS A 7 11.649 18.038 24.092 1.00 8.18 C ATOM 86 CG LYS A 7 12.438 16.897 23.443 1.00 9.89 C ATOM 87 CD LYS A 7 12.827 15.878 24.480 1.00 11.40 C ATOM 88 CE LYS A 7 13.553 14.697 23.848 1.00 13.23 C ATOM 89 NZ LYS A 7 14.236 13.851 24.884 1.00 15.56 N ATOM 90 HA LYS A 7 12.260 19.685 22.881 1.00 0.00 H ATOM 91 HB2 LYS A 7 12.235 18.426 24.925 1.00 0.00 H ATOM 92 HB3 LYS A 7 10.710 17.632 24.468 1.00 0.00 H ATOM 93 HG2 LYS A 7 11.821 16.419 22.682 1.00 0.00 H ATOM 94 HG3 LYS A 7 13.338 17.300 22.978 1.00 0.00 H ATOM 95 HD2 LYS A 7 13.483 16.348 25.212 1.00 0.00 H ATOM 96 HD3 LYS A 7 11.928 15.517 24.979 1.00 0.00 H ATOM 97 HE2 LYS A 7 14.300 15.073 23.149 1.00 0.00 H ATOM 98 HE3 LYS A 7 12.830 14.084 23.310 1.00 0.00 H ATOM 99 HZ1 LYS A 7 14.932 14.429 25.398 1.00 0.00 H ATOM 100 HZ2 LYS A 7 13.528 13.484 25.551 1.00 0.00 H ATOM 101 HZ3 LYS A 7 14.720 13.057 24.418 1.00 0.00 H ATOM 102 H LYS A 7 10.085 19.976 24.776 1.00 0.00 H ATOM 103 N PHE A 8 9.338 18.431 22.011 1.00 8.08 N ATOM 104 CA PHE A 8 8.574 18.022 20.834 1.00 7.75 C ATOM 105 C PHE A 8 8.599 19.086 19.750 1.00 8.37 C ATOM 106 O PHE A 8 8.779 18.770 18.561 1.00 8.13 O ATOM 107 CB PHE A 8 7.120 17.699 21.196 1.00 8.02 C ATOM 108 CG PHE A 8 6.311 17.220 20.011 1.00 7.55 C ATOM 109 CD1 PHE A 8 5.695 18.132 19.162 1.00 8.73 C ATOM 110 CD2 PHE A 8 6.214 15.858 19.712 1.00 6.25 C ATOM 111 CE1 PHE A 8 4.971 17.692 18.034 1.00 8.90 C ATOM 112 CE2 PHE A 8 5.495 15.421 18.589 1.00 7.67 C ATOM 113 CZ PHE A 8 4.885 16.350 17.754 1.00 7.30 C ATOM 114 HA PHE A 8 9.053 17.121 20.450 1.00 0.00 H ATOM 115 HB2 PHE A 8 7.116 16.920 21.958 1.00 0.00 H ATOM 116 HB3 PHE A 8 6.653 18.599 21.596 1.00 0.00 H ATOM 117 HD2 PHE A 8 6.702 15.128 20.358 1.00 0.00 H ATOM 118 HE2 PHE A 8 5.415 14.356 18.372 1.00 0.00 H ATOM 119 HZ PHE A 8 4.337 16.013 16.874 1.00 0.00 H ATOM 120 HE1 PHE A 8 4.480 18.417 17.385 1.00 0.00 H ATOM 121 HD1 PHE A 8 5.772 19.199 19.370 1.00 0.00 H ATOM 122 H PHE A 8 8.861 18.532 22.930 1.00 0.00 H ATOM 123 N GLU A 9 8.406 20.343 20.135 1.00 7.89 N ATOM 124 CA GLU A 9 8.469 21.424 19.133 1.00 8.37 C ATOM 125 C GLU A 9 9.834 21.497 18.455 1.00 7.69 C ATOM 126 O GLU A 9 9.923 21.670 17.233 1.00 8.04 O ATOM 127 CB GLU A 9 8.075 22.767 19.738 1.00 8.72 C ATOM 128 CG GLU A 9 6.610 22.794 20.144 1.00 10.20 C ATOM 129 CD GLU A 9 6.134 24.166 20.563 1.00 13.64 C ATOM 130 OE1 GLU A 9 6.478 25.168 19.878 1.00 15.99 O ATOM 131 OE2 GLU A 9 5.373 24.227 21.557 1.00 13.21 O ATOM 132 HA GLU A 9 7.741 21.184 18.358 1.00 0.00 H ATOM 133 HB2 GLU A 9 8.689 22.951 20.619 1.00 0.00 H ATOM 134 HB3 GLU A 9 8.252 23.552 19.002 1.00 0.00 H ATOM 135 HG2 GLU A 9 6.009 22.462 19.297 1.00 0.00 H ATOM 136 HG3 GLU A 9 6.469 22.108 20.979 1.00 0.00 H ATOM 137 H GLU A 9 8.212 20.563 21.133 1.00 0.00 H ATOM 138 N ARG A 10 10.904 21.342 19.238 1.00 7.68 N ATOM 139 CA ARG A 10 12.247 21.418 18.700 1.00 7.69 C ATOM 140 C ARG A 10 12.519 20.248 17.778 1.00 7.66 C ATOM 141 O ARG A 10 13.051 20.420 16.692 1.00 8.88 O ATOM 142 CB ARG A 10 13.272 21.413 19.829 1.00 7.14 C ATOM 143 CG ARG A 10 14.705 21.258 19.303 1.00 8.00 C ATOM 144 CD ARG A 10 15.731 21.450 20.404 1.00 7.18 C ATOM 145 NE ARG A 10 15.580 20.477 21.508 1.00 7.23 N ATOM 146 CZ ARG A 10 15.972 19.199 21.455 1.00 9.37 C ATOM 147 NH1 ARG A 10 16.562 18.705 20.368 1.00 9.97 N ATOM 148 NH2 ARG A 10 15.828 18.406 22.514 1.00 9.32 N ATOM 149 HA ARG A 10 12.331 22.347 18.136 1.00 0.00 H ATOM 150 HB2 ARG A 10 13.197 22.352 20.377 1.00 0.00 H ATOM 151 HB3 ARG A 10 13.052 20.584 20.501 1.00 0.00 H ATOM 152 HG2 ARG A 10 14.821 20.259 18.882 1.00 0.00 H ATOM 153 HG3 ARG A 10 14.878 22.001 18.525 1.00 0.00 H ATOM 154 HD2 ARG A 10 15.622 22.456 20.809 1.00 0.00 H ATOM 155 HD3 ARG A 10 16.727 21.338 19.975 1.00 0.00 H ATOM 156 HE ARG A 10 15.138 20.810 22.388 1.00 0.00 H ATOM 157 HH12 ARG A 10 16.860 17.709 20.345 1.00 0.00 H ATOM 158 HH11 ARG A 10 16.725 19.315 19.542 1.00 0.00 H ATOM 159 HH22 ARG A 10 16.135 17.413 22.466 1.00 0.00 H ATOM 160 HH21 ARG A 10 15.409 18.779 23.390 1.00 0.00 H ATOM 161 H ARG A 10 10.771 21.163 20.254 1.00 0.00 H ATOM 162 N GLN A 11 12.165 19.051 18.223 1.00 8.15 N ATOM 163 CA GLN A 11 12.478 17.863 17.431 1.00 8.64 C ATOM 164 C GLN A 11 11.580 17.679 16.227 1.00 8.49 C ATOM 165 O GLN A 11 12.014 17.107 15.229 1.00 9.00 O ATOM 166 CB GLN A 11 12.406 16.598 18.281 1.00 8.52 C ATOM 167 CG GLN A 11 13.423 16.552 19.414 1.00 9.18 C ATOM 168 CD GLN A 11 13.501 15.183 20.087 1.00 11.58 C ATOM 169 OE1 GLN A 11 14.586 14.734 20.467 1.00 17.39 O ATOM 170 NE2 GLN A 11 12.364 14.526 20.257 1.00 12.86 N ATOM 171 HA GLN A 11 13.494 18.027 17.071 1.00 0.00 H ATOM 172 HB2 GLN A 11 11.408 16.532 18.714 1.00 0.00 H ATOM 173 HB3 GLN A 11 12.577 15.739 17.632 1.00 0.00 H ATOM 174 HG2 GLN A 11 14.405 16.798 19.010 1.00 0.00 H ATOM 175 HG3 GLN A 11 13.143 17.293 20.163 1.00 0.00 H ATOM 176 HE22 GLN A 11 11.470 14.939 19.922 1.00 0.00 H ATOM 177 HE21 GLN A 11 12.365 13.597 20.725 1.00 0.00 H ATOM 178 H GLN A 11 11.667 18.957 19.131 1.00 0.00 H ATOM 179 N HIS A 12 10.334 18.139 16.306 1.00 7.65 N ATOM 180 CA HIS A 12 9.348 17.655 15.342 1.00 8.57 C ATOM 181 C HIS A 12 8.523 18.713 14.628 1.00 8.65 C ATOM 182 O HIS A 12 7.759 18.363 13.733 1.00 9.92 O ATOM 183 CB HIS A 12 8.387 16.652 16.009 1.00 8.59 C ATOM 184 CG HIS A 12 9.078 15.472 16.607 1.00 6.91 C ATOM 185 ND1 HIS A 12 9.767 14.556 15.847 1.00 7.21 N ATOM 186 CD2 HIS A 12 9.220 15.076 17.896 1.00 8.83 C ATOM 187 CE1 HIS A 12 10.278 13.629 16.640 1.00 7.53 C ATOM 188 NE2 HIS A 12 9.961 13.925 17.888 1.00 8.71 N ATOM 189 HA HIS A 12 9.958 17.188 14.569 1.00 0.00 H ATOM 190 HB2 HIS A 12 7.842 17.169 16.798 1.00 0.00 H ATOM 191 HB3 HIS A 12 7.684 16.295 15.257 1.00 0.00 H ATOM 192 HD2 HIS A 12 8.819 15.580 18.775 1.00 0.00 H ATOM 193 HE1 HIS A 12 10.862 12.767 16.318 1.00 0.00 H ATOM 194 H HIS A 12 10.068 18.828 17.038 1.00 0.00 H ATOM 195 N MET A 13 8.616 19.979 15.040 1.00 7.64 N ATOM 196 CA MET A 13 7.797 20.990 14.368 1.00 7.28 C ATOM 197 C MET A 13 8.614 21.869 13.453 1.00 7.76 C ATOM 198 O MET A 13 9.598 22.472 13.869 1.00 8.57 O ATOM 199 CB MET A 13 7.061 21.885 15.360 1.00 7.40 C ATOM 200 CG MET A 13 5.983 21.170 16.148 1.00 6.32 C ATOM 201 SD MET A 13 4.643 20.407 15.180 1.00 8.75 S ATOM 202 CE MET A 13 4.150 21.842 14.196 1.00 7.43 C ATOM 203 HA MET A 13 7.072 20.429 13.778 1.00 0.00 H ATOM 204 HB2 MET A 13 7.789 22.290 16.063 1.00 0.00 H ATOM 205 HB3 MET A 13 6.598 22.702 14.807 1.00 0.00 H ATOM 206 HG2 MET A 13 5.532 21.895 16.826 1.00 0.00 H ATOM 207 HG3 MET A 13 6.463 20.382 16.728 1.00 0.00 H ATOM 208 HE1 MET A 13 3.826 22.643 14.861 1.00 0.00 H ATOM 209 HE2 MET A 13 4.998 22.182 13.602 1.00 0.00 H ATOM 210 HE3 MET A 13 3.330 21.563 13.535 1.00 0.00 H ATOM 211 H MET A 13 9.254 20.241 15.819 1.00 0.00 H ATOM 212 N ASP A 14 8.176 21.958 12.202 1.00 7.52 N ATOM 213 CA ASP A 14 8.690 22.964 11.270 1.00 6.75 C ATOM 214 C ASP A 14 7.524 23.432 10.411 1.00 6.93 C ATOM 215 O ASP A 14 7.440 23.111 9.234 1.00 6.62 O ATOM 216 CB ASP A 14 9.799 22.390 10.397 1.00 7.96 C ATOM 217 CG ASP A 14 10.463 23.452 9.525 1.00 8.01 C ATOM 218 OD1 ASP A 14 10.327 24.660 9.846 1.00 8.08 O ATOM 219 OD2 ASP A 14 11.111 23.088 8.516 1.00 9.01 O ATOM 220 HA ASP A 14 9.120 23.799 11.823 1.00 0.00 H ATOM 221 HB2 ASP A 14 10.556 21.943 11.041 1.00 0.00 H ATOM 222 HB3 ASP A 14 9.374 21.622 9.751 1.00 0.00 H ATOM 223 H ASP A 14 7.446 21.293 11.875 1.00 0.00 H ATOM 224 N SER A 15 6.644 24.215 11.016 1.00 6.70 N ATOM 225 CA SER A 15 5.409 24.645 10.346 1.00 6.53 C ATOM 226 C SER A 15 5.675 25.569 9.158 1.00 7.21 C ATOM 227 O SER A 15 6.469 26.520 9.245 1.00 7.61 O ATOM 228 CB SER A 15 4.511 25.334 11.372 1.00 6.98 C ATOM 229 OG SER A 15 4.289 24.473 12.485 1.00 7.80 O ATOM 230 HA SER A 15 4.915 23.762 9.941 1.00 0.00 H ATOM 231 HB2 SER A 15 3.555 25.578 10.909 1.00 0.00 H ATOM 232 HB3 SER A 15 4.992 26.250 11.715 1.00 0.00 H ATOM 233 HG SER A 15 3.850 23.641 12.175 1.00 0.00 H ATOM 234 H SER A 15 6.831 24.533 11.988 1.00 0.00 H ATOM 235 N GLY A 16 5.025 25.283 8.034 1.00 7.22 N ATOM 236 CA GLY A 16 5.226 26.066 6.806 1.00 8.93 C ATOM 237 C GLY A 16 4.913 25.279 5.549 1.00 11.05 C ATOM 238 O GLY A 16 4.810 24.043 5.588 1.00 11.17 O ATOM 239 HA3 GLY A 16 6.266 26.389 6.765 1.00 0.00 H ATOM 240 HA2 GLY A 16 4.577 26.941 6.840 1.00 0.00 H ATOM 241 H GLY A 16 4.358 24.485 8.023 1.00 0.00 H ATOM 242 N ASN A 17 4.759 26.004 4.434 1.00 12.49 N ATOM 243 CA ASN A 17 4.344 25.442 3.152 1.00 14.68 C ATOM 244 C ASN A 17 5.448 24.835 2.305 1.00 15.74 C ATOM 245 O ASN A 17 5.205 23.885 1.551 1.00 16.63 O ATOM 246 CB ASN A 17 3.624 26.504 2.317 1.00 14.55 C ATOM 247 CG ASN A 17 2.180 26.675 2.721 1.00 16.03 C ATOM 248 OD1 ASN A 17 1.548 25.740 3.222 1.00 17.85 O ATOM 249 ND2 ASN A 17 1.646 27.867 2.506 1.00 16.18 N ATOM 250 HA ASN A 17 3.686 24.617 3.426 1.00 0.00 H ATOM 251 HB2 ASN A 17 4.138 27.457 2.444 1.00 0.00 H ATOM 252 HB3 ASN A 17 3.661 26.209 1.268 1.00 0.00 H ATOM 253 HD22 ASN A 17 2.218 28.624 2.081 1.00 0.00 H ATOM 254 HD21 ASN A 17 0.654 28.046 2.762 1.00 0.00 H ATOM 255 H ASN A 17 4.946 27.026 4.484 1.00 0.00 H ATOM 256 N SER A 18 6.645 25.412 2.392 1.00 16.70 N ATOM 257 CA SER A 18 7.750 24.984 1.535 1.00 17.61 C ATOM 258 C SER A 18 9.038 24.872 2.349 1.00 17.90 C ATOM 259 O SER A 18 9.991 25.614 2.106 1.00 17.69 O ATOM 260 CB SER A 18 7.926 25.955 0.364 1.00 17.65 C ATOM 261 OG SER A 18 6.703 26.163 -0.330 1.00 19.33 O ATOM 262 HA SER A 18 7.517 24.001 1.127 1.00 0.00 H ATOM 263 HB2 SER A 18 8.661 25.545 -0.329 1.00 0.00 H ATOM 264 HB3 SER A 18 8.283 26.911 0.747 1.00 0.00 H ATOM 265 HG SER A 18 6.853 26.794 -1.078 1.00 0.00 H ATOM 266 H SER A 18 6.796 26.178 3.079 1.00 0.00 H ATOM 267 N PRO A 19 9.069 23.933 3.323 1.00 18.26 N ATOM 268 CA PRO A 19 10.201 23.814 4.235 1.00 18.81 C ATOM 269 C PRO A 19 11.549 23.595 3.561 1.00 19.24 C ATOM 270 O PRO A 19 12.567 24.101 4.052 1.00 19.21 O ATOM 271 CB PRO A 19 9.848 22.580 5.077 1.00 18.90 C ATOM 272 CG PRO A 19 8.817 21.849 4.296 1.00 18.69 C ATOM 273 CD PRO A 19 8.038 22.918 3.612 1.00 18.60 C ATOM 274 HA PRO A 19 10.331 24.742 4.792 1.00 0.00 H ATOM 275 HD3 PRO A 19 7.582 22.547 2.694 1.00 0.00 H ATOM 276 HD2 PRO A 19 7.263 23.319 4.265 1.00 0.00 H ATOM 277 HG3 PRO A 19 8.175 21.266 4.956 1.00 0.00 H ATOM 278 HG2 PRO A 19 9.284 21.186 3.567 1.00 0.00 H ATOM 279 HB2 PRO A 19 10.729 21.955 5.225 1.00 0.00 H ATOM 280 HB3 PRO A 19 9.450 22.881 6.046 1.00 0.00 H ATOM 281 N SER A 20 11.556 22.842 2.462 1.00 19.56 N ATOM 282 CA SER A 20 12.812 22.494 1.788 1.00 20.33 C ATOM 283 C SER A 20 13.206 23.481 0.675 1.00 20.31 C ATOM 284 O SER A 20 14.256 23.333 0.036 1.00 20.74 O ATOM 285 CB SER A 20 12.758 21.061 1.247 1.00 20.41 C ATOM 286 OG SER A 20 11.867 20.967 0.149 1.00 21.23 O ATOM 287 HA SER A 20 13.592 22.563 2.546 1.00 0.00 H ATOM 288 HB2 SER A 20 12.420 20.393 2.039 1.00 0.00 H ATOM 289 HB3 SER A 20 13.756 20.764 0.924 1.00 0.00 H ATOM 290 HG SER A 20 10.958 21.232 0.439 1.00 0.00 H ATOM 291 H SER A 20 10.655 22.495 2.075 1.00 0.00 H ATOM 292 N SER A 21 12.368 24.490 0.461 1.00 19.74 N ATOM 293 CA SER A 21 12.635 25.519 -0.537 1.00 19.31 C ATOM 294 C SER A 21 14.022 26.131 -0.412 1.00 18.49 C ATOM 295 O SER A 21 14.562 26.275 0.696 1.00 17.77 O ATOM 296 CB SER A 21 11.589 26.626 -0.449 1.00 19.28 C ATOM 297 OG SER A 21 11.901 27.660 -1.366 1.00 20.93 O ATOM 298 HA SER A 21 12.584 25.023 -1.506 1.00 0.00 H ATOM 299 HB2 SER A 21 11.576 27.032 0.563 1.00 0.00 H ATOM 300 HB3 SER A 21 10.608 26.216 -0.687 1.00 0.00 H ATOM 301 HG SER A 21 11.218 28.373 -1.302 1.00 0.00 H ATOM 302 H SER A 21 11.495 24.547 1.023 1.00 0.00 H ATOM 303 N SER A 22 14.587 26.522 -1.556 1.00 17.76 N ATOM 304 CA SER A 22 15.886 27.204 -1.579 1.00 16.61 C ATOM 305 C SER A 22 15.862 28.519 -0.785 1.00 15.29 C ATOM 306 O SER A 22 16.869 28.909 -0.203 1.00 14.50 O ATOM 307 CB SER A 22 16.345 27.452 -3.021 1.00 17.12 C ATOM 308 OG SER A 22 15.348 28.151 -3.750 1.00 19.12 O ATOM 309 HA SER A 22 16.604 26.544 -1.092 1.00 0.00 H ATOM 310 HB2 SER A 22 16.538 26.495 -3.505 1.00 0.00 H ATOM 311 HB3 SER A 22 17.261 28.043 -3.009 1.00 0.00 H ATOM 312 HG SER A 22 15.663 28.301 -4.677 1.00 0.00 H ATOM 313 H SER A 22 14.094 26.339 -2.453 1.00 0.00 H ATOM 314 N SER A 23 14.697 29.180 -0.759 1.00 13.92 N ATOM 315 CA SER A 23 14.500 30.404 0.020 1.00 13.47 C ATOM 316 C SER A 23 14.703 30.190 1.525 1.00 12.69 C ATOM 317 O SER A 23 14.890 31.154 2.272 1.00 12.63 O ATOM 318 CB SER A 23 13.109 31.001 -0.244 1.00 13.13 C ATOM 319 OG SER A 23 12.098 30.184 0.330 1.00 16.41 O ATOM 320 HA SER A 23 15.264 31.107 -0.312 1.00 0.00 H ATOM 321 HB2 SER A 23 12.947 31.070 -1.320 1.00 0.00 H ATOM 322 HB3 SER A 23 13.057 31.997 0.195 1.00 0.00 H ATOM 323 HG SER A 23 12.141 29.279 -0.069 1.00 0.00 H ATOM 324 H SER A 23 13.900 28.809 -1.315 1.00 0.00 H ATOM 325 N ASN A 24 14.667 28.929 1.961 1.00 11.75 N ATOM 326 CA ASN A 24 14.867 28.601 3.373 1.00 11.63 C ATOM 327 C ASN A 24 16.303 28.253 3.739 1.00 10.43 C ATOM 328 O ASN A 24 16.592 27.983 4.905 1.00 10.04 O ATOM 329 CB ASN A 24 13.979 27.428 3.780 1.00 12.42 C ATOM 330 CG ASN A 24 12.864 27.848 4.663 1.00 17.07 C ATOM 331 OD1 ASN A 24 11.695 27.843 4.246 1.00 22.18 O ATOM 332 ND2 ASN A 24 13.201 28.244 5.908 1.00 19.78 N ATOM 333 HA ASN A 24 14.602 29.511 3.912 1.00 0.00 H ATOM 334 HB2 ASN A 24 13.563 26.974 2.881 1.00 0.00 H ATOM 335 HB3 ASN A 24 14.587 26.694 4.308 1.00 0.00 H ATOM 336 HD22 ASN A 24 14.197 28.228 6.207 1.00 0.00 H ATOM 337 HD21 ASN A 24 12.465 28.565 6.569 1.00 0.00 H ATOM 338 H ASN A 24 14.493 28.161 1.281 1.00 0.00 H ATOM 339 N TYR A 25 17.189 28.261 2.751 1.00 8.71 N ATOM 340 CA TYR A 25 18.567 27.838 2.972 1.00 8.25 C ATOM 341 C TYR A 25 19.208 28.604 4.125 1.00 7.78 C ATOM 342 O TYR A 25 19.754 28.003 5.060 1.00 8.50 O ATOM 343 CB TYR A 25 19.390 27.983 1.683 1.00 7.67 C ATOM 344 CG TYR A 25 20.873 27.751 1.852 1.00 8.57 C ATOM 345 CD1 TYR A 25 21.416 26.456 1.794 1.00 9.30 C ATOM 346 CD2 TYR A 25 21.738 28.821 2.047 1.00 10.23 C ATOM 347 CE1 TYR A 25 22.807 26.256 1.929 1.00 10.39 C ATOM 348 CE2 TYR A 25 23.121 28.630 2.203 1.00 11.45 C ATOM 349 CZ TYR A 25 23.642 27.349 2.125 1.00 11.34 C ATOM 350 OH TYR A 25 25.009 27.167 2.284 1.00 12.20 O ATOM 351 HA TYR A 25 18.554 26.784 3.251 1.00 0.00 H ATOM 352 HB3 TYR A 25 19.246 28.993 1.299 1.00 0.00 H ATOM 353 HB2 TYR A 25 19.014 27.262 0.957 1.00 0.00 H ATOM 354 HD2 TYR A 25 21.334 29.833 2.080 1.00 0.00 H ATOM 355 HE2 TYR A 25 23.777 29.481 2.384 1.00 0.00 H ATOM 356 HE1 TYR A 25 23.223 25.250 1.880 1.00 0.00 H ATOM 357 HD1 TYR A 25 20.758 25.600 1.644 1.00 0.00 H ATOM 358 HH TYR A 25 25.224 26.204 2.202 1.00 0.00 H ATOM 359 H TYR A 25 16.896 28.574 1.804 1.00 0.00 H ATOM 360 N CYS A 26 19.149 29.936 4.079 1.00 8.46 N ATOM 361 CA CYS A 26 19.764 30.737 5.142 1.00 8.64 C ATOM 362 C CYS A 26 19.164 30.488 6.526 1.00 9.17 C ATOM 363 O CYS A 26 19.893 30.342 7.498 1.00 8.85 O ATOM 364 CB CYS A 26 19.726 32.216 4.785 1.00 8.96 C ATOM 365 SG CYS A 26 20.870 32.645 3.468 1.00 9.70 S ATOM 366 HA CYS A 26 20.802 30.411 5.209 1.00 0.00 H ATOM 367 HB2 CYS A 26 19.983 32.795 5.672 1.00 0.00 H ATOM 368 HB3 CYS A 26 18.716 32.471 4.466 1.00 0.00 H ATOM 369 H CYS A 26 18.666 30.407 3.288 1.00 0.00 H ATOM 370 N ASN A 27 17.845 30.369 6.619 1.00 9.14 N ATOM 371 CA ASN A 27 17.243 30.033 7.907 1.00 10.61 C ATOM 372 C ASN A 27 17.848 28.778 8.499 1.00 10.20 C ATOM 373 O ASN A 27 18.204 28.747 9.672 1.00 12.20 O ATOM 374 CB ASN A 27 15.736 29.877 7.785 1.00 10.84 C ATOM 375 CG ASN A 27 15.062 31.171 7.405 1.00 11.81 C ATOM 376 OD1 ASN A 27 15.568 32.250 7.704 1.00 12.36 O ATOM 377 ND2 ASN A 27 13.947 31.073 6.697 1.00 11.66 N ATOM 378 HA ASN A 27 17.455 30.862 8.582 1.00 0.00 H ATOM 379 HB2 ASN A 27 15.520 29.130 7.021 1.00 0.00 H ATOM 380 HB3 ASN A 27 15.338 29.541 8.743 1.00 0.00 H ATOM 381 HD22 ASN A 27 13.557 30.136 6.469 1.00 0.00 H ATOM 382 HD21 ASN A 27 13.462 31.933 6.369 1.00 0.00 H ATOM 383 H ASN A 27 17.245 30.514 5.782 1.00 0.00 H ATOM 384 N LEU A 28 17.974 27.753 7.667 1.00 10.57 N ATOM 385 CA LEU A 28 18.471 26.456 8.105 1.00 10.44 C ATOM 386 C LEU A 28 19.964 26.536 8.418 1.00 10.16 C ATOM 387 O LEU A 28 20.414 26.014 9.459 1.00 10.00 O ATOM 388 CB LEU A 28 18.223 25.404 7.017 1.00 10.73 C ATOM 389 CG LEU A 28 16.788 25.093 6.587 1.00 13.96 C ATOM 390 CD1 LEU A 28 16.786 24.084 5.462 1.00 15.87 C ATOM 391 CD2 LEU A 28 15.976 24.588 7.733 1.00 18.42 C ATOM 392 HA LEU A 28 17.938 26.167 9.011 1.00 0.00 H ATOM 393 HB2 LEU A 28 18.757 25.736 6.126 1.00 0.00 H ATOM 394 HB3 LEU A 28 18.658 24.470 7.373 1.00 0.00 H ATOM 395 HG LEU A 28 16.335 26.020 6.236 1.00 0.00 H ATOM 396 HD21 LEU A 28 16.428 23.676 8.122 1.00 0.00 H ATOM 397 HD22 LEU A 28 15.947 25.344 8.518 1.00 0.00 H ATOM 398 HD23 LEU A 28 14.962 24.377 7.393 1.00 0.00 H ATOM 399 HD11 LEU A 28 17.334 24.489 4.611 1.00 0.00 H ATOM 400 HD12 LEU A 28 17.265 23.165 5.799 1.00 0.00 H ATOM 401 HD13 LEU A 28 15.758 23.873 5.167 1.00 0.00 H ATOM 402 H LEU A 28 17.709 27.879 6.669 1.00 0.00 H ATOM 403 N MET A 29 20.726 27.188 7.535 1.00 8.74 N ATOM 404 CA MET A 29 22.190 27.221 7.660 1.00 9.91 C ATOM 405 C MET A 29 22.651 28.102 8.812 1.00 8.82 C ATOM 406 O MET A 29 23.598 27.751 9.543 1.00 8.91 O ATOM 407 CB MET A 29 22.844 27.740 6.376 1.00 9.26 C ATOM 408 CG MET A 29 22.952 26.739 5.271 1.00 13.49 C ATOM 409 SD MET A 29 24.137 25.434 5.714 1.00 15.71 S ATOM 410 CE MET A 29 25.727 26.189 5.337 1.00 15.17 C ATOM 411 HA MET A 29 22.496 26.192 7.851 1.00 0.00 H ATOM 412 HB2 MET A 29 22.255 28.582 6.013 1.00 0.00 H ATOM 413 HB3 MET A 29 23.849 28.081 6.623 1.00 0.00 H ATOM 414 HG2 MET A 29 23.291 27.240 4.364 1.00 0.00 H ATOM 415 HG3 MET A 29 21.974 26.292 5.094 1.00 0.00 H ATOM 416 HE1 MET A 29 25.763 26.448 4.279 1.00 0.00 H ATOM 417 HE2 MET A 29 25.851 27.090 5.937 1.00 0.00 H ATOM 418 HE3 MET A 29 26.526 25.485 5.568 1.00 0.00 H ATOM 419 H MET A 29 20.273 27.684 6.741 1.00 0.00 H ATOM 420 N MET A 30 22.016 29.267 8.951 1.00 8.64 N ATOM 421 CA MET A 30 22.375 30.189 10.017 1.00 7.71 C ATOM 422 C MET A 30 22.128 29.517 11.374 1.00 8.44 C ATOM 423 O MET A 30 22.896 29.710 12.325 1.00 9.10 O ATOM 424 CB MET A 30 21.608 31.513 9.885 1.00 8.89 C ATOM 425 CG MET A 30 22.014 32.351 8.680 1.00 8.22 C ATOM 426 SD MET A 30 23.768 32.802 8.702 1.00 9.99 S ATOM 427 CE MET A 30 23.716 34.142 9.898 1.00 9.47 C ATOM 428 HA MET A 30 23.434 30.434 9.940 1.00 0.00 H ATOM 429 HB2 MET A 30 20.545 31.286 9.802 1.00 0.00 H ATOM 430 HB3 MET A 30 21.783 32.101 10.786 1.00 0.00 H ATOM 431 HG2 MET A 30 21.419 33.264 8.673 1.00 0.00 H ATOM 432 HG3 MET A 30 21.812 31.780 7.774 1.00 0.00 H ATOM 433 HE1 MET A 30 23.057 34.929 9.532 1.00 0.00 H ATOM 434 HE2 MET A 30 23.340 33.764 10.849 1.00 0.00 H ATOM 435 HE3 MET A 30 24.720 34.543 10.037 1.00 0.00 H ATOM 436 H MET A 30 21.255 29.519 8.289 1.00 0.00 H ATOM 437 N CYS A 31 21.065 28.713 11.440 1.00 7.16 N ATOM 438 CA CYS A 31 20.774 27.952 12.645 1.00 6.94 C ATOM 439 C CYS A 31 21.799 26.837 12.861 1.00 7.55 C ATOM 440 O CYS A 31 22.433 26.744 13.928 1.00 7.78 O ATOM 441 CB CYS A 31 19.354 27.383 12.573 1.00 6.68 C ATOM 442 SG CYS A 31 18.991 26.333 13.979 1.00 6.48 S ATOM 443 HA CYS A 31 20.841 28.624 13.500 1.00 0.00 H ATOM 444 HB2 CYS A 31 19.253 26.798 11.659 1.00 0.00 H ATOM 445 HB3 CYS A 31 18.642 28.209 12.555 1.00 0.00 H ATOM 446 H CYS A 31 20.435 28.629 10.617 1.00 0.00 H ATOM 447 N CYS A 32 21.957 25.986 11.853 1.00 8.24 N ATOM 448 CA CYS A 32 22.863 24.851 11.957 1.00 8.13 C ATOM 449 C CYS A 32 24.298 25.287 12.277 1.00 7.75 C ATOM 450 O CYS A 32 24.977 24.672 13.109 1.00 8.39 O ATOM 451 CB CYS A 32 22.830 24.009 10.667 1.00 7.84 C ATOM 452 SG CYS A 32 24.188 22.805 10.546 1.00 8.77 S ATOM 453 HA CYS A 32 22.516 24.237 12.788 1.00 0.00 H ATOM 454 HB2 CYS A 32 22.891 24.684 9.813 1.00 0.00 H ATOM 455 HB3 CYS A 32 21.885 23.467 10.633 1.00 0.00 H ATOM 456 H CYS A 32 21.423 26.133 10.973 1.00 0.00 H ATOM 457 N ARG A 33 24.757 26.341 11.608 1.00 8.56 N ATOM 458 CA ARG A 33 26.138 26.803 11.802 1.00 8.90 C ATOM 459 C ARG A 33 26.350 27.726 13.000 1.00 9.52 C ATOM 460 O ARG A 33 27.386 28.395 13.093 1.00 10.35 O ATOM 461 CB ARG A 33 26.692 27.422 10.523 1.00 8.77 C ATOM 462 CG ARG A 33 26.686 26.468 9.328 1.00 9.02 C ATOM 463 CD ARG A 33 27.618 25.263 9.524 1.00 8.64 C ATOM 464 NE ARG A 33 27.752 24.495 8.287 1.00 10.34 N ATOM 465 CZ ARG A 33 28.584 24.793 7.295 1.00 9.57 C ATOM 466 NH1 ARG A 33 29.381 25.853 7.387 1.00 9.96 N ATOM 467 NH2 ARG A 33 28.604 24.030 6.214 1.00 10.58 N ATOM 468 HA ARG A 33 26.704 25.903 12.043 1.00 0.00 H ATOM 469 HB2 ARG A 33 26.087 28.293 10.272 1.00 0.00 H ATOM 470 HB3 ARG A 33 27.719 27.736 10.709 1.00 0.00 H ATOM 471 HG2 ARG A 33 25.670 26.102 9.179 1.00 0.00 H ATOM 472 HG3 ARG A 33 27.007 27.017 8.442 1.00 0.00 H ATOM 473 HD2 ARG A 33 27.208 24.618 10.301 1.00 0.00 H ATOM 474 HD3 ARG A 33 28.601 25.619 9.831 1.00 0.00 H ATOM 475 HE ARG A 33 27.152 23.653 8.175 1.00 0.00 H ATOM 476 HH12 ARG A 33 30.031 26.084 6.609 1.00 0.00 H ATOM 477 HH11 ARG A 33 29.354 26.451 8.237 1.00 0.00 H ATOM 478 HH22 ARG A 33 29.251 24.254 5.431 1.00 0.00 H ATOM 479 HH21 ARG A 33 27.972 23.206 6.147 1.00 0.00 H ATOM 480 H ARG A 33 24.134 26.842 10.943 1.00 0.00 H ATOM 481 N LYS A 34 25.358 27.757 13.895 1.00 10.27 N ATOM 482 CA LYS A 34 25.458 28.418 15.210 1.00 10.94 C ATOM 483 C LYS A 34 25.614 29.937 15.148 1.00 10.99 C ATOM 484 O LYS A 34 26.378 30.534 15.924 1.00 11.96 O ATOM 485 CB LYS A 34 26.552 27.773 16.086 1.00 11.08 C ATOM 486 CG LYS A 34 26.528 26.239 16.141 1.00 11.76 C ATOM 487 CD LYS A 34 25.157 25.714 16.550 1.00 14.56 C ATOM 488 CE LYS A 34 25.068 24.184 16.491 1.00 14.80 C ATOM 489 NZ LYS A 34 23.911 23.671 17.312 1.00 17.04 N ATOM 490 HA LYS A 34 24.491 28.252 15.684 1.00 0.00 H ATOM 491 HB2 LYS A 34 27.522 28.081 15.695 1.00 0.00 H ATOM 492 HB3 LYS A 34 26.435 28.149 17.103 1.00 0.00 H ATOM 493 HG2 LYS A 34 26.778 25.845 15.156 1.00 0.00 H ATOM 494 HG3 LYS A 34 27.268 25.899 16.866 1.00 0.00 H ATOM 495 HD2 LYS A 34 24.950 26.037 17.570 1.00 0.00 H ATOM 496 HD3 LYS A 34 24.408 26.133 15.878 1.00 0.00 H ATOM 497 HE2 LYS A 34 25.994 23.759 16.877 1.00 0.00 H ATOM 498 HE3 LYS A 34 24.933 23.875 15.454 1.00 0.00 H ATOM 499 HZ1 LYS A 34 24.037 23.958 18.304 1.00 0.00 H ATOM 500 HZ2 LYS A 34 23.023 24.069 16.945 1.00 0.00 H ATOM 501 HZ3 LYS A 34 23.878 22.633 17.252 1.00 0.00 H ATOM 502 H LYS A 34 24.463 27.288 13.650 1.00 0.00 H ATOM 503 N MET A 35 24.884 30.567 14.232 1.00 10.91 N ATOM 504 CA MET A 35 24.891 32.025 14.143 1.00 11.47 C ATOM 505 C MET A 35 23.565 32.646 14.555 1.00 11.95 C ATOM 506 O MET A 35 23.305 33.820 14.276 1.00 12.13 O ATOM 507 CB MET A 35 25.343 32.498 12.766 1.00 11.63 C ATOM 508 CG MET A 35 26.851 32.353 12.577 1.00 11.29 C ATOM 509 SD MET A 35 27.392 32.589 10.877 1.00 11.42 S ATOM 510 CE MET A 35 26.942 31.012 10.148 1.00 12.80 C ATOM 511 HA MET A 35 25.625 32.379 14.866 1.00 0.00 H ATOM 512 HB2 MET A 35 24.834 31.905 12.006 1.00 0.00 H ATOM 513 HB3 MET A 35 25.073 33.547 12.648 1.00 0.00 H ATOM 514 HG2 MET A 35 27.144 31.353 12.896 1.00 0.00 H ATOM 515 HG3 MET A 35 27.349 33.093 13.203 1.00 0.00 H ATOM 516 HE1 MET A 35 27.470 30.210 10.665 1.00 0.00 H ATOM 517 HE2 MET A 35 25.867 30.862 10.245 1.00 0.00 H ATOM 518 HE3 MET A 35 27.217 31.009 9.093 1.00 0.00 H ATOM 519 H MET A 35 24.301 30.015 13.571 1.00 0.00 H ATOM 520 N THR A 36 22.740 31.851 15.231 1.00 12.53 N ATOM 521 CA THR A 36 21.474 32.345 15.790 1.00 13.61 C ATOM 522 C THR A 36 21.355 31.998 17.278 1.00 14.95 C ATOM 523 O THR A 36 20.257 31.944 17.828 1.00 15.18 O ATOM 524 CB THR A 36 20.234 31.814 15.018 1.00 13.51 C ATOM 525 OG1 THR A 36 20.109 30.400 15.204 1.00 12.55 O ATOM 526 CG2 THR A 36 20.323 32.138 13.534 1.00 13.88 C ATOM 527 HA THR A 36 21.491 33.429 15.678 1.00 0.00 H ATOM 528 HB THR A 36 19.351 32.311 15.418 1.00 0.00 H ATOM 529 HG1 THR A 36 19.317 30.072 14.709 1.00 0.00 H ATOM 530 HG23 THR A 36 20.418 33.216 13.404 1.00 0.00 H ATOM 531 HG21 THR A 36 21.194 31.641 13.107 1.00 0.00 H ATOM 532 HG22 THR A 36 19.421 31.788 13.032 1.00 0.00 H ATOM 533 H THR A 36 22.998 30.853 15.368 1.00 0.00 H ATOM 534 N GLN A 37 22.493 31.769 17.924 1.00 16.23 N ATOM 535 CA GLN A 37 22.516 31.591 19.372 1.00 18.13 C ATOM 536 C GLN A 37 22.806 32.941 20.022 1.00 18.46 C ATOM 537 O GLN A 37 23.815 33.582 19.706 1.00 18.87 O ATOM 538 CB GLN A 37 23.568 30.563 19.787 1.00 18.49 C ATOM 539 CG GLN A 37 23.557 29.302 18.943 1.00 21.46 C ATOM 540 CD GLN A 37 23.815 28.060 19.755 1.00 25.01 C ATOM 541 OE1 GLN A 37 22.886 27.309 20.078 1.00 25.28 O ATOM 542 NE2 GLN A 37 25.079 27.841 20.114 1.00 26.77 N ATOM 543 HA GLN A 37 21.548 31.216 19.703 1.00 0.00 H ATOM 544 HB2 GLN A 37 24.552 31.025 19.703 1.00 0.00 H ATOM 545 HB3 GLN A 37 23.386 30.284 20.825 1.00 0.00 H ATOM 546 HG2 GLN A 37 22.582 29.210 18.464 1.00 0.00 H ATOM 547 HG3 GLN A 37 24.329 29.386 18.178 1.00 0.00 H ATOM 548 HE22 GLN A 37 25.826 28.502 19.818 1.00 0.00 H ATOM 549 HE21 GLN A 37 25.319 27.009 20.691 1.00 0.00 H ATOM 550 H GLN A 37 23.383 31.716 17.388 1.00 0.00 H ATOM 551 N GLY A 38 21.907 33.369 20.905 1.00 18.42 N ATOM 552 CA GLY A 38 22.053 34.630 21.634 1.00 18.53 C ATOM 553 C GLY A 38 21.407 35.805 20.922 1.00 18.28 C ATOM 554 O GLY A 38 20.658 36.575 21.527 1.00 18.62 O ATOM 555 HA3 GLY A 38 23.116 34.839 21.757 1.00 0.00 H ATOM 556 HA2 GLY A 38 21.590 34.520 22.615 1.00 0.00 H ATOM 557 H GLY A 38 21.066 32.784 21.084 1.00 0.00 H ATOM 558 N LYS A 39 21.717 35.940 19.635 1.00 17.74 N ATOM 559 CA LYS A 39 21.176 36.988 18.778 1.00 17.41 C ATOM 560 C LYS A 39 21.224 36.457 17.347 1.00 16.65 C ATOM 561 O LYS A 39 21.883 35.454 17.082 1.00 16.74 O ATOM 562 CB LYS A 39 21.967 38.312 18.920 1.00 18.41 C ATOM 563 CG LYS A 39 23.170 38.528 17.968 1.00 20.27 C ATOM 564 CD LYS A 39 24.524 38.201 18.609 1.00 23.09 C ATOM 565 CE LYS A 39 25.724 38.735 17.779 1.00 22.84 C ATOM 566 NZ LYS A 39 25.903 38.097 16.411 1.00 24.78 N ATOM 567 HA LYS A 39 20.152 37.225 19.067 1.00 0.00 H ATOM 568 HB2 LYS A 39 21.267 39.131 18.754 1.00 0.00 H ATOM 569 HB3 LYS A 39 22.345 38.360 19.941 1.00 0.00 H ATOM 570 HG2 LYS A 39 23.038 37.889 17.095 1.00 0.00 H ATOM 571 HG3 LYS A 39 23.179 39.572 17.655 1.00 0.00 H ATOM 572 HD2 LYS A 39 24.558 38.651 19.601 1.00 0.00 H ATOM 573 HD3 LYS A 39 24.616 37.119 18.699 1.00 0.00 H ATOM 574 HE2 LYS A 39 26.634 38.562 18.353 1.00 0.00 H ATOM 575 HE3 LYS A 39 25.584 39.806 17.635 1.00 0.00 H ATOM 576 HZ1 LYS A 39 26.053 37.074 16.524 1.00 0.00 H ATOM 577 HZ2 LYS A 39 25.051 38.262 15.839 1.00 0.00 H ATOM 578 HZ3 LYS A 39 26.727 38.520 15.938 1.00 0.00 H ATOM 579 H LYS A 39 22.383 35.259 19.217 1.00 0.00 H ATOM 580 N CYS A 40 20.522 37.115 16.434 1.00 15.80 N ATOM 581 CA CYS A 40 20.623 36.750 15.027 1.00 15.11 C ATOM 582 C CYS A 40 21.790 37.491 14.394 1.00 14.29 C ATOM 583 O CYS A 40 21.772 38.721 14.334 1.00 14.00 O ATOM 584 CB CYS A 40 19.358 37.134 14.270 1.00 15.82 C ATOM 585 SG CYS A 40 17.826 36.699 15.051 1.00 16.98 S ATOM 586 HA CYS A 40 20.767 35.671 14.970 1.00 0.00 H ATOM 587 HB2 CYS A 40 19.389 36.643 13.297 1.00 0.00 H ATOM 588 HB3 CYS A 40 19.367 38.215 14.131 1.00 0.00 H ATOM 589 H CYS A 40 19.897 37.894 16.723 1.00 0.00 H ATOM 590 N LYS A 41 22.802 36.769 13.902 1.00 13.25 N ATOM 591 CA LYS A 41 23.823 37.438 13.111 1.00 12.70 C ATOM 592 C LYS A 41 23.111 38.131 11.948 1.00 12.88 C ATOM 593 O LYS A 41 22.323 37.494 11.237 1.00 13.03 O ATOM 594 CB LYS A 41 24.888 36.466 12.600 1.00 12.54 C ATOM 595 CG LYS A 41 26.064 37.177 11.934 1.00 12.43 C ATOM 596 CD LYS A 41 27.178 36.216 11.590 1.00 11.40 C ATOM 597 CE LYS A 41 28.347 36.930 10.922 1.00 12.58 C ATOM 598 NZ LYS A 41 29.432 35.948 10.568 1.00 11.48 N ATOM 599 HA LYS A 41 24.353 38.161 13.731 1.00 0.00 H ATOM 600 HB2 LYS A 41 25.263 35.885 13.442 1.00 0.00 H ATOM 601 HB3 LYS A 41 24.429 35.795 11.874 1.00 0.00 H ATOM 602 HG2 LYS A 41 25.715 37.656 11.019 1.00 0.00 H ATOM 603 HG3 LYS A 41 26.450 37.936 12.615 1.00 0.00 H ATOM 604 HD2 LYS A 41 27.530 35.740 12.505 1.00 0.00 H ATOM 605 HD3 LYS A 41 26.793 35.455 10.911 1.00 0.00 H ATOM 606 HE2 LYS A 41 28.749 37.678 11.606 1.00 0.00 H ATOM 607 HE3 LYS A 41 27.997 37.421 10.014 1.00 0.00 H ATOM 608 HZ1 LYS A 41 29.771 35.481 11.433 1.00 0.00 H ATOM 609 HZ2 LYS A 41 29.052 35.235 9.913 1.00 0.00 H ATOM 610 HZ3 LYS A 41 30.220 36.453 10.114 1.00 0.00 H ATOM 611 H LYS A 41 22.858 35.746 14.082 1.00 0.00 H ATOM 612 N PRO A 42 23.334 39.449 11.783 1.00 12.92 N ATOM 613 CA PRO A 42 22.585 40.221 10.779 1.00 13.14 C ATOM 614 C PRO A 42 22.913 39.921 9.317 1.00 12.78 C ATOM 615 O PRO A 42 22.004 39.934 8.491 1.00 13.61 O ATOM 616 CB PRO A 42 22.938 41.679 11.113 1.00 12.96 C ATOM 617 CG PRO A 42 23.576 41.634 12.467 1.00 14.08 C ATOM 618 CD PRO A 42 24.244 40.314 12.553 1.00 13.23 C ATOM 619 HA PRO A 42 21.527 39.968 10.842 1.00 0.00 H ATOM 620 HD3 PRO A 42 25.236 40.344 12.102 1.00 0.00 H ATOM 621 HD2 PRO A 42 24.326 39.980 13.587 1.00 0.00 H ATOM 622 HG3 PRO A 42 22.820 41.729 13.247 1.00 0.00 H ATOM 623 HG2 PRO A 42 24.306 42.437 12.570 1.00 0.00 H ATOM 624 HB2 PRO A 42 23.634 42.082 10.377 1.00 0.00 H ATOM 625 HB3 PRO A 42 22.038 42.294 11.135 1.00 0.00 H ATOM 626 N VAL A 43 24.190 39.686 9.006 1.00 12.21 N ATOM 627 CA VAL A 43 24.658 39.455 7.637 1.00 12.03 C ATOM 628 C VAL A 43 25.689 38.334 7.718 1.00 11.54 C ATOM 629 O VAL A 43 26.540 38.330 8.609 1.00 11.57 O ATOM 630 CB VAL A 43 25.293 40.746 6.988 1.00 12.25 C ATOM 631 CG1 VAL A 43 25.858 40.441 5.606 1.00 13.05 C ATOM 632 CG2 VAL A 43 24.270 41.842 6.873 1.00 13.90 C ATOM 633 HA VAL A 43 23.816 39.188 6.998 1.00 0.00 H ATOM 634 HB VAL A 43 26.103 41.075 7.639 1.00 0.00 H ATOM 635 HG11 VAL A 43 26.630 39.676 5.691 1.00 0.00 H ATOM 636 HG12 VAL A 43 25.058 40.081 4.959 1.00 0.00 H ATOM 637 HG13 VAL A 43 26.289 41.348 5.183 1.00 0.00 H ATOM 638 HG21 VAL A 43 23.444 41.503 6.247 1.00 0.00 H ATOM 639 HG22 VAL A 43 23.896 42.094 7.865 1.00 0.00 H ATOM 640 HG23 VAL A 43 24.731 42.721 6.423 1.00 0.00 H ATOM 641 H VAL A 43 24.889 39.666 9.776 1.00 0.00 H ATOM 642 N ASN A 44 25.585 37.364 6.811 1.00 11.18 N ATOM 643 CA ASN A 44 26.577 36.290 6.716 1.00 10.96 C ATOM 644 C ASN A 44 26.579 35.681 5.330 1.00 11.46 C ATOM 645 O ASN A 44 25.523 35.494 4.745 1.00 12.50 O ATOM 646 CB ASN A 44 26.318 35.184 7.732 1.00 10.90 C ATOM 647 CG ASN A 44 27.492 34.218 7.829 1.00 11.02 C ATOM 648 OD1 ASN A 44 28.538 34.573 8.361 1.00 11.61 O ATOM 649 ND2 ASN A 44 27.341 33.027 7.256 1.00 9.09 N ATOM 650 HA ASN A 44 27.546 36.743 6.927 1.00 0.00 H ATOM 651 HB2 ASN A 44 26.150 35.635 8.710 1.00 0.00 H ATOM 652 HB3 ASN A 44 25.429 34.630 7.432 1.00 0.00 H ATOM 653 HD22 ASN A 44 26.433 32.772 6.817 1.00 0.00 H ATOM 654 HD21 ASN A 44 28.131 32.351 7.247 1.00 0.00 H ATOM 655 H ASN A 44 24.779 37.369 6.154 1.00 0.00 H ATOM 656 N THR A 45 27.776 35.364 4.846 1.00 10.48 N ATOM 657 CA THR A 45 27.994 34.835 3.514 1.00 10.04 C ATOM 658 C THR A 45 28.559 33.420 3.599 1.00 9.89 C ATOM 659 O THR A 45 29.498 33.152 4.370 1.00 9.90 O ATOM 660 CB THR A 45 28.979 35.749 2.768 1.00 10.51 C ATOM 661 OG1 THR A 45 28.410 37.059 2.733 1.00 11.24 O ATOM 662 CG2 THR A 45 29.238 35.272 1.319 1.00 9.68 C ATOM 663 HA THR A 45 27.047 34.799 2.976 1.00 0.00 H ATOM 664 HB THR A 45 29.936 35.734 3.290 1.00 0.00 H ATOM 665 HG1 THR A 45 27.541 37.028 2.260 1.00 0.00 H ATOM 666 HG23 THR A 45 29.672 34.272 1.339 1.00 0.00 H ATOM 667 HG21 THR A 45 28.296 35.249 0.771 1.00 0.00 H ATOM 668 HG22 THR A 45 29.928 35.960 0.829 1.00 0.00 H ATOM 669 H THR A 45 28.605 35.504 5.459 1.00 0.00 H ATOM 670 N PHE A 46 27.979 32.532 2.799 1.00 10.04 N ATOM 671 CA PHE A 46 28.492 31.181 2.618 1.00 9.81 C ATOM 672 C PHE A 46 29.116 31.053 1.221 1.00 10.20 C ATOM 673 O PHE A 46 28.625 31.628 0.244 1.00 10.41 O ATOM 674 CB PHE A 46 27.377 30.149 2.776 1.00 9.68 C ATOM 675 CG PHE A 46 26.846 30.052 4.176 1.00 8.63 C ATOM 676 CD1 PHE A 46 27.548 29.337 5.144 1.00 8.63 C ATOM 677 CD2 PHE A 46 25.660 30.718 4.539 1.00 8.69 C ATOM 678 CE1 PHE A 46 27.068 29.271 6.465 1.00 9.80 C ATOM 679 CE2 PHE A 46 25.161 30.638 5.845 1.00 8.39 C ATOM 680 CZ PHE A 46 25.873 29.909 6.810 1.00 8.50 C ATOM 681 HA PHE A 46 29.248 30.992 3.381 1.00 0.00 H ATOM 682 HB2 PHE A 46 26.556 30.423 2.113 1.00 0.00 H ATOM 683 HB3 PHE A 46 27.766 29.173 2.486 1.00 0.00 H ATOM 684 HD2 PHE A 46 25.123 31.304 3.793 1.00 0.00 H ATOM 685 HE2 PHE A 46 24.229 31.137 6.109 1.00 0.00 H ATOM 686 HZ PHE A 46 25.494 29.840 7.830 1.00 0.00 H ATOM 687 HE1 PHE A 46 27.629 28.721 7.221 1.00 0.00 H ATOM 688 HD1 PHE A 46 28.473 28.826 4.877 1.00 0.00 H ATOM 689 H PHE A 46 27.123 32.813 2.280 1.00 0.00 H ATOM 690 N VAL A 47 30.223 30.330 1.154 1.00 9.90 N ATOM 691 CA VAL A 47 30.973 30.184 -0.076 1.00 10.55 C ATOM 692 C VAL A 47 30.858 28.744 -0.562 1.00 10.95 C ATOM 693 O VAL A 47 31.077 27.777 0.197 1.00 10.96 O ATOM 694 CB VAL A 47 32.466 30.584 0.127 1.00 10.01 C ATOM 695 CG1 VAL A 47 33.267 30.421 -1.182 1.00 12.17 C ATOM 696 CG2 VAL A 47 32.563 32.022 0.664 1.00 11.29 C ATOM 697 HA VAL A 47 30.558 30.854 -0.829 1.00 0.00 H ATOM 698 HB VAL A 47 32.906 29.913 0.864 1.00 0.00 H ATOM 699 HG11 VAL A 47 33.225 29.381 -1.505 1.00 0.00 H ATOM 700 HG12 VAL A 47 32.836 31.060 -1.952 1.00 0.00 H ATOM 701 HG13 VAL A 47 34.305 30.707 -1.010 1.00 0.00 H ATOM 702 HG21 VAL A 47 32.104 32.707 -0.049 1.00 0.00 H ATOM 703 HG22 VAL A 47 32.043 32.088 1.619 1.00 0.00 H ATOM 704 HG23 VAL A 47 33.611 32.287 0.801 1.00 0.00 H ATOM 705 H VAL A 47 30.565 29.852 2.012 1.00 0.00 H ATOM 706 N HIS A 48 30.494 28.590 -1.827 1.00 12.02 N ATOM 707 CA HIS A 48 30.218 27.254 -2.363 1.00 13.07 C ATOM 708 C HIS A 48 31.361 26.637 -3.175 1.00 14.49 C ATOM 709 O HIS A 48 31.174 25.667 -3.911 1.00 17.08 O ATOM 710 CB HIS A 48 28.904 27.269 -3.132 1.00 13.32 C ATOM 711 CG HIS A 48 27.748 27.718 -2.295 1.00 13.69 C ATOM 712 ND1 HIS A 48 27.326 27.025 -1.180 1.00 12.65 N ATOM 713 CD2 HIS A 48 26.952 28.809 -2.381 1.00 14.63 C ATOM 714 CE1 HIS A 48 26.306 27.659 -0.629 1.00 14.43 C ATOM 715 NE2 HIS A 48 26.067 28.750 -1.333 1.00 14.72 N ATOM 716 HA HIS A 48 30.126 26.589 -1.504 1.00 0.00 H ATOM 717 HB2 HIS A 48 29.004 27.946 -3.980 1.00 0.00 H ATOM 718 HB3 HIS A 48 28.701 26.262 -3.495 1.00 0.00 H ATOM 719 HD2 HIS A 48 27.004 29.589 -3.141 1.00 0.00 H ATOM 720 HE1 HIS A 48 25.756 27.337 0.255 1.00 0.00 H ATOM 721 H HIS A 48 30.404 29.423 -2.443 1.00 0.00 H ATOM 722 N GLU A 49 32.557 27.167 -2.986 1.00 14.87 N ATOM 723 CA GLU A 49 33.721 26.724 -3.722 1.00 14.13 C ATOM 724 C GLU A 49 34.509 25.792 -2.826 1.00 13.97 C ATOM 725 O GLU A 49 34.245 25.716 -1.623 1.00 13.43 O ATOM 726 CB GLU A 49 34.577 27.912 -4.135 1.00 14.31 C ATOM 727 CG GLU A 49 33.832 28.948 -4.971 1.00 13.65 C ATOM 728 CD GLU A 49 33.452 28.461 -6.366 1.00 16.75 C ATOM 729 OE1 GLU A 49 34.069 27.491 -6.867 1.00 16.89 O ATOM 730 OE2 GLU A 49 32.533 29.058 -6.962 1.00 15.91 O ATOM 731 HA GLU A 49 33.416 26.207 -4.632 1.00 0.00 H ATOM 732 HB2 GLU A 49 34.947 28.400 -3.233 1.00 0.00 H ATOM 733 HB3 GLU A 49 35.420 27.542 -4.718 1.00 0.00 H ATOM 734 HG2 GLU A 49 32.919 29.223 -4.443 1.00 0.00 H ATOM 735 HG3 GLU A 49 34.468 29.827 -5.076 1.00 0.00 H ATOM 736 H GLU A 49 32.665 27.928 -2.285 1.00 0.00 H ATOM 737 N SER A 50 35.454 25.071 -3.411 1.00 13.73 N ATOM 738 CA SER A 50 36.230 24.147 -2.603 1.00 14.11 C ATOM 739 C SER A 50 37.031 24.928 -1.572 1.00 13.77 C ATOM 740 O SER A 50 37.395 26.100 -1.786 1.00 13.77 O ATOM 741 CB SER A 50 37.131 23.252 -3.453 1.00 14.47 C ATOM 742 OG SER A 50 38.297 23.931 -3.844 1.00 16.12 O ATOM 743 HA SER A 50 35.540 23.479 -2.087 1.00 0.00 H ATOM 744 HB2 SER A 50 36.585 22.940 -4.343 1.00 0.00 H ATOM 745 HB3 SER A 50 37.409 22.372 -2.872 1.00 0.00 H ATOM 746 HG SER A 50 38.860 23.329 -4.392 1.00 0.00 H ATOM 747 H SER A 50 35.637 25.165 -4.430 1.00 0.00 H ATOM 748 N LEU A 51 37.278 24.281 -0.443 1.00 13.22 N ATOM 749 CA LEU A 51 38.118 24.894 0.572 1.00 13.00 C ATOM 750 C LEU A 51 39.512 25.274 0.038 1.00 12.72 C ATOM 751 O LEU A 51 40.048 26.320 0.427 1.00 10.57 O ATOM 752 CB LEU A 51 38.212 23.992 1.800 1.00 13.26 C ATOM 753 CG LEU A 51 39.004 24.568 2.975 1.00 14.37 C ATOM 754 CD1 LEU A 51 38.352 25.836 3.547 1.00 16.61 C ATOM 755 CD2 LEU A 51 39.175 23.509 4.026 1.00 16.62 C ATOM 756 HA LEU A 51 37.643 25.830 0.866 1.00 0.00 H ATOM 757 HB2 LEU A 51 37.199 23.786 2.145 1.00 0.00 H ATOM 758 HB3 LEU A 51 38.688 23.059 1.497 1.00 0.00 H ATOM 759 HG LEU A 51 39.987 24.872 2.614 1.00 0.00 H ATOM 760 HD21 LEU A 51 38.195 23.181 4.372 1.00 0.00 H ATOM 761 HD22 LEU A 51 39.714 22.662 3.602 1.00 0.00 H ATOM 762 HD23 LEU A 51 39.739 23.918 4.864 1.00 0.00 H ATOM 763 HD11 LEU A 51 38.297 26.597 2.769 1.00 0.00 H ATOM 764 HD12 LEU A 51 37.347 25.600 3.898 1.00 0.00 H ATOM 765 HD13 LEU A 51 38.951 26.207 4.379 1.00 0.00 H ATOM 766 H LEU A 51 36.872 23.337 -0.283 1.00 0.00 H ATOM 767 N ALA A 52 40.086 24.455 -0.851 1.00 12.53 N ATOM 768 CA ALA A 52 41.397 24.769 -1.472 1.00 12.72 C ATOM 769 C ALA A 52 41.364 26.089 -2.248 1.00 12.65 C ATOM 770 O ALA A 52 42.306 26.882 -2.176 1.00 12.40 O ATOM 771 CB ALA A 52 41.881 23.615 -2.387 1.00 13.23 C ATOM 772 HA ALA A 52 42.110 24.882 -0.655 1.00 0.00 H ATOM 773 HB1 ALA A 52 41.987 22.705 -1.797 1.00 0.00 H ATOM 774 HB2 ALA A 52 41.152 23.452 -3.181 1.00 0.00 H ATOM 775 HB3 ALA A 52 42.844 23.879 -2.825 1.00 0.00 H ATOM 776 H ALA A 52 39.600 23.574 -1.114 1.00 0.00 H ATOM 777 N ASP A 53 40.289 26.314 -2.998 1.00 11.96 N ATOM 778 CA ASP A 53 40.132 27.552 -3.742 1.00 12.09 C ATOM 779 C ASP A 53 39.998 28.764 -2.827 1.00 10.93 C ATOM 780 O ASP A 53 40.541 29.827 -3.117 1.00 10.93 O ATOM 781 CB ASP A 53 38.940 27.474 -4.679 1.00 12.20 C ATOM 782 CG ASP A 53 39.244 26.664 -5.924 1.00 15.47 C ATOM 783 OD1 ASP A 53 40.393 26.186 -6.058 1.00 19.89 O ATOM 784 OD2 ASP A 53 38.340 26.518 -6.754 1.00 16.16 O ATOM 785 HA ASP A 53 41.041 27.681 -4.330 1.00 0.00 H ATOM 786 HB2 ASP A 53 38.108 27.008 -4.151 1.00 0.00 H ATOM 787 HB3 ASP A 53 38.660 28.485 -4.977 1.00 0.00 H ATOM 788 H ASP A 53 39.546 25.589 -3.053 1.00 0.00 H ATOM 789 N VAL A 54 39.282 28.597 -1.722 1.00 10.51 N ATOM 790 CA VAL A 54 39.151 29.698 -0.754 1.00 9.88 C ATOM 791 C VAL A 54 40.474 29.931 -0.037 1.00 10.70 C ATOM 792 O VAL A 54 40.876 31.076 0.117 1.00 10.84 O ATOM 793 CB VAL A 54 37.956 29.484 0.212 1.00 10.66 C ATOM 794 CG1 VAL A 54 37.785 30.652 1.166 1.00 11.14 C ATOM 795 CG2 VAL A 54 36.691 29.293 -0.622 1.00 11.04 C ATOM 796 HA VAL A 54 38.917 30.613 -1.298 1.00 0.00 H ATOM 797 HB VAL A 54 38.149 28.601 0.822 1.00 0.00 H ATOM 798 HG11 VAL A 54 38.690 30.768 1.762 1.00 0.00 H ATOM 799 HG12 VAL A 54 37.605 31.563 0.595 1.00 0.00 H ATOM 800 HG13 VAL A 54 36.938 30.461 1.824 1.00 0.00 H ATOM 801 HG21 VAL A 54 36.523 30.180 -1.233 1.00 0.00 H ATOM 802 HG22 VAL A 54 36.811 28.423 -1.267 1.00 0.00 H ATOM 803 HG23 VAL A 54 35.840 29.141 0.041 1.00 0.00 H ATOM 804 H VAL A 54 38.813 27.687 -1.540 1.00 0.00 H ATOM 805 N LYS A 55 41.161 28.856 0.365 1.00 10.72 N ATOM 806 CA LYS A 55 42.516 29.015 0.960 1.00 10.93 C ATOM 807 C LYS A 55 43.496 29.701 0.003 1.00 11.02 C ATOM 808 O LYS A 55 44.353 30.493 0.436 1.00 10.99 O ATOM 809 CB LYS A 55 43.077 27.663 1.384 1.00 10.95 C ATOM 810 CG LYS A 55 42.413 27.115 2.603 1.00 11.17 C ATOM 811 CD LYS A 55 43.070 25.816 2.997 1.00 14.04 C ATOM 812 CE LYS A 55 42.403 25.299 4.230 1.00 15.87 C ATOM 813 NZ LYS A 55 42.935 23.937 4.540 1.00 17.34 N ATOM 814 HA LYS A 55 42.402 29.655 1.835 1.00 0.00 H ATOM 815 HB2 LYS A 55 42.939 26.957 0.565 1.00 0.00 H ATOM 816 HB3 LYS A 55 44.142 27.777 1.589 1.00 0.00 H ATOM 817 HG2 LYS A 55 42.506 27.831 3.420 1.00 0.00 H ATOM 818 HG3 LYS A 55 41.358 26.939 2.394 1.00 0.00 H ATOM 819 HD2 LYS A 55 42.964 25.091 2.190 1.00 0.00 H ATOM 820 HD3 LYS A 55 44.128 25.985 3.195 1.00 0.00 H ATOM 821 HE2 LYS A 55 41.327 25.242 4.067 1.00 0.00 H ATOM 822 HE3 LYS A 55 42.608 25.970 5.065 1.00 0.00 H ATOM 823 HZ1 LYS A 55 42.739 23.300 3.742 1.00 0.00 H ATOM 824 HZ2 LYS A 55 43.962 23.994 4.695 1.00 0.00 H ATOM 825 HZ3 LYS A 55 42.473 23.573 5.398 1.00 0.00 H ATOM 826 H LYS A 55 40.748 27.907 0.262 1.00 0.00 H ATOM 827 N ALA A 56 43.362 29.413 -1.298 1.00 10.67 N ATOM 828 CA ALA A 56 44.226 30.001 -2.328 1.00 11.15 C ATOM 829 C ALA A 56 44.163 31.533 -2.331 1.00 11.15 C ATOM 830 O ALA A 56 45.124 32.204 -2.745 1.00 11.48 O ATOM 831 CB ALA A 56 43.855 29.465 -3.696 1.00 10.97 C ATOM 832 HA ALA A 56 45.250 29.714 -2.091 1.00 0.00 H ATOM 833 HB1 ALA A 56 43.976 28.382 -3.706 1.00 0.00 H ATOM 834 HB2 ALA A 56 42.818 29.718 -3.915 1.00 0.00 H ATOM 835 HB3 ALA A 56 44.505 29.911 -4.448 1.00 0.00 H ATOM 836 H ALA A 56 42.618 28.748 -1.589 1.00 0.00 H ATOM 837 N VAL A 57 43.031 32.080 -1.887 1.00 11.27 N ATOM 838 CA VAL A 57 42.844 33.531 -1.901 1.00 11.30 C ATOM 839 C VAL A 57 43.932 34.205 -1.071 1.00 11.29 C ATOM 840 O VAL A 57 44.369 35.299 -1.410 1.00 10.85 O ATOM 841 CB VAL A 57 41.419 33.942 -1.459 1.00 10.98 C ATOM 842 CG1 VAL A 57 41.279 35.496 -1.371 1.00 11.17 C ATOM 843 CG2 VAL A 57 40.389 33.331 -2.411 1.00 10.69 C ATOM 844 HA VAL A 57 42.942 33.879 -2.929 1.00 0.00 H ATOM 845 HB VAL A 57 41.233 33.555 -0.457 1.00 0.00 H ATOM 846 HG11 VAL A 57 41.994 35.883 -0.645 1.00 0.00 H ATOM 847 HG12 VAL A 57 41.480 35.934 -2.349 1.00 0.00 H ATOM 848 HG13 VAL A 57 40.267 35.751 -1.058 1.00 0.00 H ATOM 849 HG21 VAL A 57 40.573 33.692 -3.423 1.00 0.00 H ATOM 850 HG22 VAL A 57 40.476 32.245 -2.390 1.00 0.00 H ATOM 851 HG23 VAL A 57 39.387 33.623 -2.096 1.00 0.00 H ATOM 852 H VAL A 57 42.272 31.468 -1.526 1.00 0.00 H ATOM 853 N CYS A 58 44.410 33.509 -0.032 1.00 11.91 N ATOM 854 CA CYS A 58 45.466 34.022 0.847 1.00 12.80 C ATOM 855 C CYS A 58 46.795 34.246 0.141 1.00 13.81 C ATOM 856 O CYS A 58 47.733 34.799 0.737 1.00 13.53 O ATOM 857 CB CYS A 58 45.665 33.103 2.047 1.00 12.58 C ATOM 858 SG CYS A 58 44.213 33.006 3.059 1.00 12.94 S ATOM 859 HA CYS A 58 45.121 35.000 1.182 1.00 0.00 H ATOM 860 HB2 CYS A 58 46.489 33.485 2.650 1.00 0.00 H ATOM 861 HB3 CYS A 58 45.911 32.104 1.688 1.00 0.00 H ATOM 862 H CYS A 58 44.016 32.566 0.160 1.00 0.00 H ATOM 863 N SER A 59 46.900 33.803 -1.108 1.00 15.19 N ATOM 864 CA SER A 59 48.102 34.117 -1.881 1.00 17.39 C ATOM 865 C SER A 59 47.784 34.915 -3.153 1.00 17.83 C ATOM 866 O SER A 59 48.613 35.015 -4.060 1.00 18.13 O ATOM 867 CB SER A 59 48.937 32.865 -2.141 1.00 17.65 C ATOM 868 OG SER A 59 48.162 31.836 -2.692 1.00 20.24 O ATOM 869 HA SER A 59 48.722 34.779 -1.276 1.00 0.00 H ATOM 870 HB2 SER A 59 49.364 32.522 -1.199 1.00 0.00 H ATOM 871 HB3 SER A 59 49.741 33.113 -2.834 1.00 0.00 H ATOM 872 HG SER A 59 47.432 31.602 -2.065 1.00 0.00 H ATOM 873 H SER A 59 46.136 33.239 -1.531 1.00 0.00 H ATOM 874 N GLN A 60 46.591 35.513 -3.183 1.00 18.79 N ATOM 875 CA GLN A 60 46.128 36.285 -4.345 1.00 19.52 C ATOM 876 C GLN A 60 46.272 37.788 -4.081 1.00 20.05 C ATOM 877 O GLN A 60 47.276 38.208 -3.494 1.00 20.26 O ATOM 878 CB GLN A 60 44.717 35.838 -4.793 1.00 18.82 C ATOM 879 CG GLN A 60 44.744 34.404 -5.396 1.00 18.86 C ATOM 880 CD GLN A 60 43.383 33.690 -5.539 1.00 19.64 C ATOM 881 OE1 GLN A 60 42.326 34.306 -5.570 1.00 18.84 O ATOM 882 NE2 GLN A 60 43.435 32.380 -5.660 1.00 19.09 N ATOM 883 HA GLN A 60 46.768 36.073 -5.201 1.00 0.00 H ATOM 884 HB2 GLN A 60 44.050 35.849 -3.931 1.00 0.00 H ATOM 885 HB3 GLN A 60 44.346 36.533 -5.546 1.00 0.00 H ATOM 886 HG2 GLN A 60 45.189 34.470 -6.389 1.00 0.00 H ATOM 887 HG3 GLN A 60 45.376 33.788 -4.756 1.00 0.00 H ATOM 888 HE22 GLN A 60 44.352 31.891 -5.629 1.00 0.00 H ATOM 889 HE21 GLN A 60 42.559 31.834 -5.787 1.00 0.00 H ATOM 890 H GLN A 60 45.967 35.430 -2.355 1.00 0.00 H ATOM 891 N LYS A 61 45.303 38.596 -4.509 1.00 20.84 N ATOM 892 CA LYS A 61 45.428 40.063 -4.451 1.00 21.62 C ATOM 893 C LYS A 61 45.227 40.671 -3.050 1.00 21.01 C ATOM 894 O LYS A 61 44.124 40.668 -2.510 1.00 21.23 O ATOM 895 CB LYS A 61 44.491 40.718 -5.477 1.00 21.65 C ATOM 896 CG LYS A 61 44.434 42.248 -5.427 1.00 23.03 C ATOM 897 CD LYS A 61 43.408 42.775 -6.423 1.00 23.24 C ATOM 898 CE LYS A 61 42.833 44.116 -5.975 1.00 26.56 C ATOM 899 NZ LYS A 61 41.833 44.636 -6.952 1.00 27.91 N ATOM 900 HA LYS A 61 46.465 40.282 -4.705 1.00 0.00 H ATOM 901 HB2 LYS A 61 44.824 40.425 -6.473 1.00 0.00 H ATOM 902 HB3 LYS A 61 43.484 40.337 -5.305 1.00 0.00 H ATOM 903 HG2 LYS A 61 44.155 42.565 -4.422 1.00 0.00 H ATOM 904 HG3 LYS A 61 45.416 42.652 -5.674 1.00 0.00 H ATOM 905 HD2 LYS A 61 43.888 42.901 -7.393 1.00 0.00 H ATOM 906 HD3 LYS A 61 42.596 42.053 -6.512 1.00 0.00 H ATOM 907 HE2 LYS A 61 43.645 44.837 -5.882 1.00 0.00 H ATOM 908 HE3 LYS A 61 42.349 43.988 -5.007 1.00 0.00 H ATOM 909 HZ1 LYS A 61 42.289 44.766 -7.878 1.00 0.00 H ATOM 910 HZ2 LYS A 61 41.052 43.956 -7.042 1.00 0.00 H ATOM 911 HZ3 LYS A 61 41.463 45.548 -6.616 1.00 0.00 H ATOM 912 H LYS A 61 44.432 38.179 -4.896 1.00 0.00 H ATOM 913 N LYS A 62 46.310 41.198 -2.484 1.00 21.01 N ATOM 914 CA LYS A 62 46.251 41.981 -1.246 1.00 20.55 C ATOM 915 C LYS A 62 45.329 43.197 -1.344 1.00 19.94 C ATOM 916 O LYS A 62 45.443 44.009 -2.264 1.00 19.66 O ATOM 917 CB LYS A 62 47.650 42.455 -0.844 1.00 21.65 C ATOM 918 CG LYS A 62 48.396 41.478 0.039 1.00 23.73 C ATOM 919 CD LYS A 62 49.057 42.216 1.195 1.00 27.06 C ATOM 920 CE LYS A 62 48.670 41.589 2.544 1.00 28.84 C ATOM 921 NZ LYS A 62 47.177 41.507 2.748 1.00 27.87 N ATOM 922 HA LYS A 62 45.840 41.313 -0.490 1.00 0.00 H ATOM 923 HB2 LYS A 62 48.233 42.613 -1.751 1.00 0.00 H ATOM 924 HB3 LYS A 62 47.552 43.399 -0.307 1.00 0.00 H ATOM 925 HG2 LYS A 62 47.696 40.742 0.434 1.00 0.00 H ATOM 926 HG3 LYS A 62 49.161 40.971 -0.550 1.00 0.00 H ATOM 927 HD2 LYS A 62 50.139 42.167 1.077 1.00 0.00 H ATOM 928 HD3 LYS A 62 48.738 43.258 1.182 1.00 0.00 H ATOM 929 HE2 LYS A 62 49.098 42.193 3.344 1.00 0.00 H ATOM 930 HE3 LYS A 62 49.083 40.582 2.591 1.00 0.00 H ATOM 931 HZ1 LYS A 62 46.771 42.464 2.715 1.00 0.00 H ATOM 932 HZ2 LYS A 62 46.757 40.925 1.996 1.00 0.00 H ATOM 933 HZ3 LYS A 62 46.978 41.076 3.673 1.00 0.00 H ATOM 934 H LYS A 62 47.234 41.049 -2.937 1.00 0.00 H ATOM 935 N VAL A 63 44.415 43.313 -0.383 1.00 19.41 N ATOM 936 CA VAL A 63 43.607 44.512 -0.230 1.00 18.61 C ATOM 937 C VAL A 63 43.507 44.855 1.257 1.00 19.31 C ATOM 938 O VAL A 63 43.631 43.983 2.118 1.00 20.02 O ATOM 939 CB VAL A 63 42.189 44.356 -0.858 1.00 18.45 C ATOM 940 CG1 VAL A 63 42.278 44.026 -2.357 1.00 18.69 C ATOM 941 CG2 VAL A 63 41.373 43.292 -0.125 1.00 17.56 C ATOM 942 HA VAL A 63 44.094 45.325 -0.769 1.00 0.00 H ATOM 943 HB VAL A 63 41.678 45.312 -0.749 1.00 0.00 H ATOM 944 HG11 VAL A 63 42.802 44.830 -2.874 1.00 0.00 H ATOM 945 HG12 VAL A 63 42.823 43.091 -2.490 1.00 0.00 H ATOM 946 HG13 VAL A 63 41.273 43.924 -2.765 1.00 0.00 H ATOM 947 HG21 VAL A 63 41.889 42.334 -0.187 1.00 0.00 H ATOM 948 HG22 VAL A 63 41.261 43.578 0.921 1.00 0.00 H ATOM 949 HG23 VAL A 63 40.390 43.208 -0.587 1.00 0.00 H ATOM 950 H VAL A 63 44.275 42.522 0.278 1.00 0.00 H ATOM 951 N THR A 64 43.283 46.121 1.570 1.00 18.93 N ATOM 952 CA THR A 64 43.054 46.494 2.970 1.00 18.54 C ATOM 953 C THR A 64 41.686 46.029 3.410 1.00 18.36 C ATOM 954 O THR A 64 40.711 46.162 2.670 1.00 18.18 O ATOM 955 CB THR A 64 43.202 48.017 3.187 1.00 19.05 C ATOM 956 OG1 THR A 64 44.500 48.409 2.747 1.00 20.63 O ATOM 957 CG2 THR A 64 43.047 48.379 4.666 1.00 17.99 C ATOM 958 HA THR A 64 43.814 46.002 3.577 1.00 0.00 H ATOM 959 HB THR A 64 42.425 48.533 2.624 1.00 0.00 H ATOM 960 HG1 THR A 64 44.612 49.384 2.879 1.00 0.00 H ATOM 961 HG23 THR A 64 42.056 48.082 5.010 1.00 0.00 H ATOM 962 HG21 THR A 64 43.806 47.857 5.248 1.00 0.00 H ATOM 963 HG22 THR A 64 43.168 49.455 4.790 1.00 0.00 H ATOM 964 H THR A 64 43.269 46.848 0.827 1.00 0.00 H ATOM 965 N CYS A 65 41.618 45.484 4.628 1.00 17.50 N ATOM 966 CA CYS A 65 40.348 45.033 5.171 1.00 17.65 C ATOM 967 C CYS A 65 39.492 46.263 5.403 1.00 17.61 C ATOM 968 O CYS A 65 40.031 47.348 5.626 1.00 17.98 O ATOM 969 CB CYS A 65 40.550 44.288 6.490 1.00 17.36 C ATOM 970 SG CYS A 65 41.734 42.916 6.416 1.00 17.12 S ATOM 971 HA CYS A 65 39.869 44.345 4.474 1.00 0.00 H ATOM 972 HB2 CYS A 65 39.586 43.888 6.805 1.00 0.00 H ATOM 973 HB3 CYS A 65 40.905 45.003 7.232 1.00 0.00 H ATOM 974 H CYS A 65 42.484 45.381 5.194 1.00 0.00 H ATOM 975 N LYS A 66 38.171 46.094 5.375 1.00 18.47 N ATOM 976 CA LYS A 66 37.233 47.182 5.707 1.00 19.15 C ATOM 977 C LYS A 66 37.601 47.847 7.040 1.00 18.66 C ATOM 978 O LYS A 66 37.466 49.062 7.188 1.00 19.47 O ATOM 979 CB LYS A 66 35.795 46.662 5.816 1.00 19.02 C ATOM 980 CG LYS A 66 35.047 46.377 4.515 1.00 20.68 C ATOM 981 CD LYS A 66 33.800 45.522 4.832 1.00 21.91 C ATOM 982 CE LYS A 66 32.725 45.574 3.746 1.00 24.07 C ATOM 983 NZ LYS A 66 31.746 44.410 3.811 1.00 22.51 N ATOM 984 HA LYS A 66 37.303 47.910 4.899 1.00 0.00 H ATOM 985 HB2 LYS A 66 35.826 45.733 6.385 1.00 0.00 H ATOM 986 HB3 LYS A 66 35.220 47.406 6.367 1.00 0.00 H ATOM 987 HG2 LYS A 66 34.740 47.317 4.056 1.00 0.00 H ATOM 988 HG3 LYS A 66 35.698 45.835 3.829 1.00 0.00 H ATOM 989 HD2 LYS A 66 34.115 44.486 4.955 1.00 0.00 H ATOM 990 HD3 LYS A 66 33.365 45.881 5.765 1.00 0.00 H ATOM 991 HE2 LYS A 66 33.215 45.560 2.773 1.00 0.00 H ATOM 992 HE3 LYS A 66 32.166 46.503 3.857 1.00 0.00 H ATOM 993 HZ1 LYS A 66 32.264 43.516 3.697 1.00 0.00 H ATOM 994 HZ2 LYS A 66 31.262 44.416 4.732 1.00 0.00 H ATOM 995 HZ3 LYS A 66 31.045 44.505 3.049 1.00 0.00 H ATOM 996 H LYS A 66 37.789 45.164 5.110 1.00 0.00 H ATOM 997 N ASN A 67 38.063 47.048 8.007 1.00 18.15 N ATOM 998 CA ASN A 67 38.379 47.564 9.350 1.00 17.73 C ATOM 999 C ASN A 67 39.809 48.119 9.529 1.00 17.33 C ATOM 1000 O ASN A 67 40.244 48.388 10.653 1.00 17.80 O ATOM 1001 CB ASN A 67 38.096 46.490 10.412 1.00 17.63 C ATOM 1002 CG ASN A 67 39.140 45.373 10.414 1.00 17.05 C ATOM 1003 OD1 ASN A 67 40.049 45.364 9.588 1.00 17.90 O ATOM 1004 ND2 ASN A 67 38.988 44.417 11.327 1.00 15.73 N ATOM 1005 HA ASN A 67 37.722 48.424 9.481 1.00 0.00 H ATOM 1006 HB2 ASN A 67 38.089 46.963 11.394 1.00 0.00 H ATOM 1007 HB3 ASN A 67 37.117 46.053 10.214 1.00 0.00 H ATOM 1008 HD22 ASN A 67 38.202 44.467 12.007 1.00 0.00 H ATOM 1009 HD21 ASN A 67 39.655 43.620 11.361 1.00 0.00 H ATOM 1010 H ASN A 67 38.203 46.037 7.806 1.00 0.00 H ATOM 1011 N GLY A 68 40.545 48.267 8.430 1.00 16.21 N ATOM 1012 CA GLY A 68 41.898 48.811 8.495 1.00 15.70 C ATOM 1013 C GLY A 68 43.007 47.802 8.752 1.00 14.78 C ATOM 1014 O GLY A 68 44.197 48.142 8.668 1.00 14.56 O ATOM 1015 HA3 GLY A 68 41.924 49.548 9.298 1.00 0.00 H ATOM 1016 HA2 GLY A 68 42.107 49.303 7.545 1.00 0.00 H ATOM 1017 H GLY A 68 40.149 47.990 7.509 1.00 0.00 H ATOM 1018 N GLN A 69 42.660 46.562 9.086 1.00 13.23 N ATOM 1019 CA GLN A 69 43.702 45.543 9.185 1.00 12.44 C ATOM 1020 C GLN A 69 44.285 45.298 7.795 1.00 11.79 C ATOM 1021 O GLN A 69 43.671 45.644 6.774 1.00 11.66 O ATOM 1022 CB GLN A 69 43.200 44.266 9.841 1.00 12.56 C ATOM 1023 CG GLN A 69 42.755 44.505 11.287 1.00 12.84 C ATOM 1024 CD GLN A 69 42.530 43.229 12.066 1.00 15.74 C ATOM 1025 OE1 GLN A 69 41.398 42.915 12.440 1.00 15.10 O ATOM 1026 NE2 GLN A 69 43.609 42.501 12.343 1.00 15.13 N ATOM 1027 HA GLN A 69 44.494 45.905 9.840 1.00 0.00 H ATOM 1028 HB2 GLN A 69 42.354 43.885 9.270 1.00 0.00 H ATOM 1029 HB3 GLN A 69 44.002 43.528 9.836 1.00 0.00 H ATOM 1030 HG2 GLN A 69 43.524 45.088 11.793 1.00 0.00 H ATOM 1031 HG3 GLN A 69 41.823 45.070 11.273 1.00 0.00 H ATOM 1032 HE22 GLN A 69 44.544 42.807 12.005 1.00 0.00 H ATOM 1033 HE21 GLN A 69 43.518 41.626 12.897 1.00 0.00 H ATOM 1034 H GLN A 69 41.665 46.322 9.273 1.00 0.00 H ATOM 1035 N THR A 70 45.499 44.760 7.774 1.00 10.76 N ATOM 1036 CA THR A 70 46.297 44.740 6.562 1.00 11.47 C ATOM 1037 C THR A 70 46.606 43.306 6.117 1.00 11.67 C ATOM 1038 O THR A 70 47.584 43.077 5.389 1.00 14.09 O ATOM 1039 CB THR A 70 47.610 45.535 6.782 1.00 11.06 C ATOM 1040 OG1 THR A 70 48.213 45.107 8.006 1.00 12.71 O ATOM 1041 CG2 THR A 70 47.308 47.011 6.912 1.00 11.47 C ATOM 1042 HA THR A 70 45.720 45.213 5.767 1.00 0.00 H ATOM 1043 HB THR A 70 48.272 45.361 5.934 1.00 0.00 H ATOM 1044 HG1 THR A 70 48.413 44.139 7.953 1.00 0.00 H ATOM 1045 HG23 THR A 70 46.846 47.368 5.992 1.00 0.00 H ATOM 1046 HG21 THR A 70 46.626 47.169 7.747 1.00 0.00 H ATOM 1047 HG22 THR A 70 48.235 47.556 7.090 1.00 0.00 H ATOM 1048 H THR A 70 45.886 44.344 8.645 1.00 0.00 H ATOM 1049 N ASN A 71 45.763 42.355 6.526 1.00 10.76 N ATOM 1050 CA ASN A 71 45.919 40.960 6.130 1.00 10.39 C ATOM 1051 C ASN A 71 44.757 40.422 5.298 1.00 9.66 C ATOM 1052 O ASN A 71 44.433 39.245 5.395 1.00 9.91 O ATOM 1053 CB ASN A 71 46.127 40.061 7.364 1.00 9.78 C ATOM 1054 CG ASN A 71 44.934 40.079 8.312 1.00 11.69 C ATOM 1055 OD1 ASN A 71 44.168 41.066 8.375 1.00 13.00 O ATOM 1056 ND2 ASN A 71 44.766 38.989 9.061 1.00 12.45 N ATOM 1057 HA ASN A 71 46.803 40.935 5.493 1.00 0.00 H ATOM 1058 HB2 ASN A 71 46.289 39.037 7.027 1.00 0.00 H ATOM 1059 HB3 ASN A 71 47.008 40.408 7.904 1.00 0.00 H ATOM 1060 HD22 ASN A 71 45.428 38.192 8.975 1.00 0.00 H ATOM 1061 HD21 ASN A 71 43.973 38.936 9.731 1.00 0.00 H ATOM 1062 H ASN A 71 44.970 42.617 7.146 1.00 0.00 H ATOM 1063 N CYS A 72 44.161 41.275 4.461 1.00 10.09 N ATOM 1064 CA CYS A 72 43.068 40.852 3.580 1.00 10.16 C ATOM 1065 C CYS A 72 43.541 40.634 2.166 1.00 10.52 C ATOM 1066 O CYS A 72 44.563 41.176 1.739 1.00 10.80 O ATOM 1067 CB CYS A 72 41.897 41.833 3.603 1.00 10.59 C ATOM 1068 SG CYS A 72 40.892 41.637 5.087 1.00 12.07 S ATOM 1069 HA CYS A 72 42.713 39.899 3.971 1.00 0.00 H ATOM 1070 HB2 CYS A 72 41.272 41.658 2.727 1.00 0.00 H ATOM 1071 HB3 CYS A 72 42.287 42.850 3.572 1.00 0.00 H ATOM 1072 H CYS A 72 44.480 42.264 4.433 1.00 0.00 H ATOM 1073 N TYR A 73 42.764 39.830 1.449 1.00 10.64 N ATOM 1074 CA TYR A 73 43.144 39.311 0.140 1.00 10.99 C ATOM 1075 C TYR A 73 41.859 39.147 -0.623 1.00 11.41 C ATOM 1076 O TYR A 73 40.866 38.686 -0.064 1.00 12.02 O ATOM 1077 CB TYR A 73 43.803 37.943 0.294 1.00 11.37 C ATOM 1078 CG TYR A 73 45.160 37.997 0.935 1.00 12.65 C ATOM 1079 CD1 TYR A 73 45.297 37.939 2.318 1.00 12.60 C ATOM 1080 CD2 TYR A 73 46.309 38.111 0.146 1.00 14.26 C ATOM 1081 CE1 TYR A 73 46.550 38.012 2.920 1.00 14.47 C ATOM 1082 CE2 TYR A 73 47.562 38.179 0.736 1.00 15.00 C ATOM 1083 CZ TYR A 73 47.668 38.116 2.119 1.00 15.42 C ATOM 1084 OH TYR A 73 48.899 38.188 2.717 1.00 16.98 O ATOM 1085 HA TYR A 73 43.845 39.977 -0.363 1.00 0.00 H ATOM 1086 HB3 TYR A 73 43.907 37.497 -0.695 1.00 0.00 H ATOM 1087 HB2 TYR A 73 43.156 37.316 0.908 1.00 0.00 H ATOM 1088 HD2 TYR A 73 46.219 38.147 -0.940 1.00 0.00 H ATOM 1089 HE2 TYR A 73 48.455 38.281 0.120 1.00 0.00 H ATOM 1090 HE1 TYR A 73 46.646 37.987 4.005 1.00 0.00 H ATOM 1091 HD1 TYR A 73 44.408 37.835 2.941 1.00 0.00 H ATOM 1092 HH TYR A 73 48.791 38.128 3.699 1.00 0.00 H ATOM 1093 H TYR A 73 41.840 39.557 1.840 1.00 0.00 H ATOM 1094 N GLN A 74 41.887 39.532 -1.895 1.00 11.50 N ATOM 1095 CA GLN A 74 40.725 39.445 -2.754 1.00 11.77 C ATOM 1096 C GLN A 74 40.945 38.291 -3.727 1.00 11.41 C ATOM 1097 O GLN A 74 42.038 38.132 -4.262 1.00 11.27 O ATOM 1098 CB GLN A 74 40.519 40.763 -3.518 1.00 11.98 C ATOM 1099 CG GLN A 74 39.262 40.766 -4.374 1.00 14.25 C ATOM 1100 CD GLN A 74 39.235 41.917 -5.359 1.00 16.54 C ATOM 1101 OE1 GLN A 74 39.361 43.072 -4.968 1.00 20.34 O ATOM 1102 NE2 GLN A 74 39.066 41.606 -6.636 1.00 17.36 N ATOM 1103 HA GLN A 74 39.830 39.268 -2.158 1.00 0.00 H ATOM 1104 HB2 GLN A 74 40.449 41.576 -2.795 1.00 0.00 H ATOM 1105 HB3 GLN A 74 41.380 40.927 -4.165 1.00 0.00 H ATOM 1106 HG2 GLN A 74 39.214 39.829 -4.929 1.00 0.00 H ATOM 1107 HG3 GLN A 74 38.393 40.844 -3.720 1.00 0.00 H ATOM 1108 HE22 GLN A 74 38.964 40.611 -6.920 1.00 0.00 H ATOM 1109 HE21 GLN A 74 39.036 42.357 -7.355 1.00 0.00 H ATOM 1110 H GLN A 74 42.774 39.909 -2.286 1.00 0.00 H ATOM 1111 N SER A 75 39.899 37.491 -3.942 1.00 11.17 N ATOM 1112 CA SER A 75 39.973 36.356 -4.856 1.00 11.42 C ATOM 1113 C SER A 75 40.204 36.853 -6.281 1.00 12.25 C ATOM 1114 O SER A 75 39.616 37.857 -6.699 1.00 12.42 O ATOM 1115 CB SER A 75 38.702 35.495 -4.772 1.00 10.98 C ATOM 1116 OG SER A 75 37.540 36.194 -5.212 1.00 10.60 O ATOM 1117 HA SER A 75 40.814 35.727 -4.564 1.00 0.00 H ATOM 1118 HB2 SER A 75 38.555 35.188 -3.736 1.00 0.00 H ATOM 1119 HB3 SER A 75 38.836 34.611 -5.396 1.00 0.00 H ATOM 1120 HG SER A 75 37.660 36.471 -6.155 1.00 0.00 H ATOM 1121 H SER A 75 39.006 37.682 -3.444 1.00 0.00 H ATOM 1122 N LYS A 76 41.058 36.150 -7.018 1.00 13.04 N ATOM 1123 CA LYS A 76 41.372 36.550 -8.391 1.00 14.18 C ATOM 1124 C LYS A 76 40.135 36.394 -9.282 1.00 13.94 C ATOM 1125 O LYS A 76 39.889 37.202 -10.181 1.00 14.24 O ATOM 1126 CB LYS A 76 42.564 35.752 -8.931 1.00 14.59 C ATOM 1127 CG LYS A 76 42.354 34.238 -8.995 1.00 15.89 C ATOM 1128 CD LYS A 76 43.609 33.512 -9.495 1.00 16.16 C ATOM 1129 CE LYS A 76 43.372 32.011 -9.535 1.00 19.95 C ATOM 1130 NZ LYS A 76 44.626 31.271 -9.844 1.00 21.89 N ATOM 1131 HA LYS A 76 41.658 37.602 -8.396 1.00 0.00 H ATOM 1132 HB2 LYS A 76 42.780 36.106 -9.939 1.00 0.00 H ATOM 1133 HB3 LYS A 76 43.422 35.948 -8.287 1.00 0.00 H ATOM 1134 HG2 LYS A 76 42.108 33.873 -7.998 1.00 0.00 H ATOM 1135 HG3 LYS A 76 41.528 34.024 -9.673 1.00 0.00 H ATOM 1136 HD2 LYS A 76 43.853 33.864 -10.497 1.00 0.00 H ATOM 1137 HD3 LYS A 76 44.440 33.727 -8.823 1.00 0.00 H ATOM 1138 HE2 LYS A 76 42.631 31.789 -10.303 1.00 0.00 H ATOM 1139 HE3 LYS A 76 42.997 31.685 -8.565 1.00 0.00 H ATOM 1140 HZ1 LYS A 76 44.986 31.574 -10.772 1.00 0.00 H ATOM 1141 HZ2 LYS A 76 45.336 31.474 -9.112 1.00 0.00 H ATOM 1142 HZ3 LYS A 76 44.429 30.250 -9.864 1.00 0.00 H ATOM 1143 H LYS A 76 41.509 35.305 -6.614 1.00 0.00 H ATOM 1144 N SER A 77 39.348 35.364 -8.991 1.00 13.29 N ATOM 1145 CA SER A 77 38.147 35.076 -9.743 1.00 12.88 C ATOM 1146 C SER A 77 36.908 35.212 -8.873 1.00 12.36 C ATOM 1147 O SER A 77 36.983 35.188 -7.638 1.00 12.04 O ATOM 1148 CB SER A 77 38.239 33.668 -10.320 1.00 13.58 C ATOM 1149 OG SER A 77 39.420 33.554 -11.093 1.00 15.18 O ATOM 1150 HA SER A 77 38.061 35.798 -10.555 1.00 0.00 H ATOM 1151 HB2 SER A 77 37.371 33.475 -10.951 1.00 0.00 H ATOM 1152 HB3 SER A 77 38.264 32.942 -9.507 1.00 0.00 H ATOM 1153 HG SER A 77 39.395 34.214 -11.831 1.00 0.00 H ATOM 1154 H SER A 77 39.604 34.744 -8.196 1.00 0.00 H ATOM 1155 N THR A 78 35.764 35.342 -9.528 1.00 12.00 N ATOM 1156 CA THR A 78 34.504 35.311 -8.817 1.00 11.75 C ATOM 1157 C THR A 78 34.272 33.906 -8.264 1.00 11.29 C ATOM 1158 O THR A 78 34.810 32.898 -8.780 1.00 11.17 O ATOM 1159 CB THR A 78 33.319 35.720 -9.713 1.00 11.84 C ATOM 1160 OG1 THR A 78 33.235 34.830 -10.828 1.00 13.04 O ATOM 1161 CG2 THR A 78 33.465 37.180 -10.204 1.00 12.68 C ATOM 1162 HA THR A 78 34.561 36.035 -8.004 1.00 0.00 H ATOM 1163 HB THR A 78 32.403 35.657 -9.126 1.00 0.00 H ATOM 1164 HG1 THR A 78 32.473 35.094 -11.403 1.00 0.00 H ATOM 1165 HG23 THR A 78 33.528 37.847 -9.344 1.00 0.00 H ATOM 1166 HG21 THR A 78 34.371 37.272 -10.803 1.00 0.00 H ATOM 1167 HG22 THR A 78 32.599 37.447 -10.810 1.00 0.00 H ATOM 1168 H THR A 78 35.771 35.467 -10.560 1.00 0.00 H ATOM 1169 N MET A 79 33.479 33.866 -7.201 1.00 11.17 N ATOM 1170 CA MET A 79 33.082 32.630 -6.550 1.00 11.08 C ATOM 1171 C MET A 79 31.576 32.554 -6.363 1.00 10.77 C ATOM 1172 O MET A 79 30.904 33.585 -6.233 1.00 10.58 O ATOM 1173 CB MET A 79 33.756 32.530 -5.184 1.00 11.56 C ATOM 1174 CG MET A 79 35.254 32.365 -5.301 1.00 12.46 C ATOM 1175 SD MET A 79 35.962 31.929 -3.726 1.00 12.58 S ATOM 1176 CE MET A 79 37.647 31.663 -4.227 1.00 13.14 C ATOM 1177 HA MET A 79 33.392 31.804 -7.190 1.00 0.00 H ATOM 1178 HB2 MET A 79 33.545 33.439 -4.620 1.00 0.00 H ATOM 1179 HB3 MET A 79 33.348 31.671 -4.652 1.00 0.00 H ATOM 1180 HG2 MET A 79 35.692 33.302 -5.644 1.00 0.00 H ATOM 1181 HG3 MET A 79 35.473 31.578 -6.023 1.00 0.00 H ATOM 1182 HE1 MET A 79 37.682 30.866 -4.970 1.00 0.00 H ATOM 1183 HE2 MET A 79 38.046 32.581 -4.658 1.00 0.00 H ATOM 1184 HE3 MET A 79 38.242 31.379 -3.359 1.00 0.00 H ATOM 1185 H MET A 79 33.124 34.764 -6.815 1.00 0.00 H ATOM 1186 N ARG A 80 31.056 31.335 -6.325 1.00 10.41 N ATOM 1187 CA ARG A 80 29.635 31.114 -6.083 1.00 10.45 C ATOM 1188 C ARG A 80 29.420 31.252 -4.587 1.00 10.50 C ATOM 1189 O ARG A 80 29.979 30.490 -3.794 1.00 10.96 O ATOM 1190 CB ARG A 80 29.223 29.724 -6.558 1.00 10.69 C ATOM 1191 CG ARG A 80 29.237 29.565 -8.073 1.00 11.94 C ATOM 1192 CD ARG A 80 29.222 28.092 -8.442 1.00 13.60 C ATOM 1193 NE ARG A 80 30.516 27.449 -8.193 1.00 13.71 N ATOM 1194 CZ ARG A 80 30.795 26.176 -8.470 1.00 15.51 C ATOM 1195 NH1 ARG A 80 29.874 25.378 -9.002 1.00 16.43 N ATOM 1196 NH2 ARG A 80 32.001 25.691 -8.210 1.00 16.28 N ATOM 1197 HA ARG A 80 29.028 31.835 -6.631 1.00 0.00 H ATOM 1198 HB2 ARG A 80 29.911 28.996 -6.129 1.00 0.00 H ATOM 1199 HB3 ARG A 80 28.213 29.523 -6.200 1.00 0.00 H ATOM 1200 HG2 ARG A 80 28.358 30.052 -8.495 1.00 0.00 H ATOM 1201 HG3 ARG A 80 30.137 30.029 -8.476 1.00 0.00 H ATOM 1202 HD2 ARG A 80 28.979 27.997 -9.500 1.00 0.00 H ATOM 1203 HD3 ARG A 80 28.459 27.588 -7.849 1.00 0.00 H ATOM 1204 HE ARG A 80 31.270 28.028 -7.770 1.00 0.00 H ATOM 1205 HH12 ARG A 80 30.105 24.386 -9.213 1.00 0.00 H ATOM 1206 HH11 ARG A 80 28.923 25.746 -9.207 1.00 0.00 H ATOM 1207 HH22 ARG A 80 32.220 24.697 -8.426 1.00 0.00 H ATOM 1208 HH21 ARG A 80 32.729 26.304 -7.790 1.00 0.00 H ATOM 1209 H ARG A 80 31.678 30.515 -6.472 1.00 0.00 H ATOM 1210 N ILE A 81 28.620 32.241 -4.212 1.00 10.35 N ATOM 1211 CA ILE A 81 28.343 32.525 -2.809 1.00 9.91 C ATOM 1212 C ILE A 81 26.852 32.732 -2.587 1.00 9.48 C ATOM 1213 O ILE A 81 26.093 33.031 -3.513 1.00 9.64 O ATOM 1214 CB ILE A 81 29.126 33.781 -2.280 1.00 9.62 C ATOM 1215 CG1 ILE A 81 28.612 35.079 -2.916 1.00 9.99 C ATOM 1216 CG2 ILE A 81 30.628 33.634 -2.512 1.00 10.30 C ATOM 1217 CD1 ILE A 81 29.317 36.324 -2.405 1.00 10.43 C ATOM 1218 HA ILE A 81 28.685 31.657 -2.246 1.00 0.00 H ATOM 1219 HB ILE A 81 28.947 33.840 -1.206 1.00 0.00 H ATOM 1220 HG12 ILE A 81 28.759 35.017 -3.994 1.00 0.00 H ATOM 1221 HG13 ILE A 81 27.548 35.172 -2.700 1.00 0.00 H ATOM 1222 HD11 ILE A 81 29.170 36.407 -1.328 1.00 0.00 H ATOM 1223 HD12 ILE A 81 30.382 36.252 -2.623 1.00 0.00 H ATOM 1224 HD13 ILE A 81 28.902 37.203 -2.898 1.00 0.00 H ATOM 1225 HG21 ILE A 81 30.991 32.751 -1.986 1.00 0.00 H ATOM 1226 HG22 ILE A 81 30.821 33.528 -3.580 1.00 0.00 H ATOM 1227 HG23 ILE A 81 31.141 34.519 -2.135 1.00 0.00 H ATOM 1228 H ILE A 81 28.176 32.833 -4.942 1.00 0.00 H ATOM 1229 N THR A 82 26.457 32.581 -1.325 1.00 9.71 N ATOM 1230 CA THR A 82 25.116 32.868 -0.884 1.00 9.36 C ATOM 1231 C THR A 82 25.197 33.877 0.234 1.00 9.62 C ATOM 1232 O THR A 82 25.916 33.653 1.212 1.00 9.29 O ATOM 1233 CB THR A 82 24.434 31.590 -0.356 1.00 9.49 C ATOM 1234 OG1 THR A 82 24.290 30.686 -1.442 1.00 9.00 O ATOM 1235 CG2 THR A 82 23.032 31.912 0.218 1.00 9.28 C ATOM 1236 HA THR A 82 24.533 33.254 -1.720 1.00 0.00 H ATOM 1237 HB THR A 82 25.043 31.158 0.438 1.00 0.00 H ATOM 1238 HG1 THR A 82 25.183 30.469 -1.810 1.00 0.00 H ATOM 1239 HG23 THR A 82 23.133 32.606 1.053 1.00 0.00 H ATOM 1240 HG21 THR A 82 22.417 32.365 -0.560 1.00 0.00 H ATOM 1241 HG22 THR A 82 22.562 30.991 0.564 1.00 0.00 H ATOM 1242 H THR A 82 27.148 32.241 -0.626 1.00 0.00 H ATOM 1243 N ASP A 83 24.455 34.976 0.092 1.00 9.73 N ATOM 1244 CA ASP A 83 24.304 35.966 1.146 1.00 10.73 C ATOM 1245 C ASP A 83 23.067 35.677 1.968 1.00 10.89 C ATOM 1246 O ASP A 83 22.003 35.406 1.421 1.00 10.24 O ATOM 1247 CB ASP A 83 24.176 37.368 0.538 1.00 11.37 C ATOM 1248 CG ASP A 83 25.495 37.902 0.028 1.00 13.73 C ATOM 1249 OD1 ASP A 83 26.553 37.666 0.665 1.00 16.11 O ATOM 1250 OD2 ASP A 83 25.470 38.569 -1.027 1.00 18.98 O ATOM 1251 HA ASP A 83 25.186 35.919 1.785 1.00 0.00 H ATOM 1252 HB2 ASP A 83 23.471 37.326 -0.292 1.00 0.00 H ATOM 1253 HB3 ASP A 83 23.796 38.047 1.301 1.00 0.00 H ATOM 1254 H ASP A 83 23.963 35.132 -0.811 1.00 0.00 H ATOM 1255 N CYS A 84 23.219 35.760 3.287 1.00 10.87 N ATOM 1256 CA CYS A 84 22.111 35.633 4.207 1.00 11.24 C ATOM 1257 C CYS A 84 21.954 36.964 4.929 1.00 12.64 C ATOM 1258 O CYS A 84 22.886 37.424 5.579 1.00 11.65 O ATOM 1259 CB CYS A 84 22.374 34.519 5.225 1.00 11.56 C ATOM 1260 SG CYS A 84 22.608 32.907 4.475 1.00 8.66 S ATOM 1261 HA CYS A 84 21.203 35.378 3.661 1.00 0.00 H ATOM 1262 HB2 CYS A 84 21.523 34.464 5.904 1.00 0.00 H ATOM 1263 HB3 CYS A 84 23.272 34.771 5.789 1.00 0.00 H ATOM 1264 H CYS A 84 24.172 35.923 3.671 1.00 0.00 H ATOM 1265 N ARG A 85 20.787 37.585 4.778 1.00 14.01 N ATOM 1266 CA ARG A 85 20.504 38.860 5.457 1.00 16.64 C ATOM 1267 C ARG A 85 19.187 38.787 6.211 1.00 17.89 C ATOM 1268 O ARG A 85 18.177 38.338 5.669 1.00 17.15 O ATOM 1269 CB ARG A 85 20.477 40.024 4.456 1.00 16.62 C ATOM 1270 CG ARG A 85 21.709 40.099 3.591 1.00 18.96 C ATOM 1271 CD ARG A 85 21.868 41.453 2.911 1.00 23.41 C ATOM 1272 NE ARG A 85 22.946 41.395 1.925 1.00 26.19 N ATOM 1273 CZ ARG A 85 22.774 41.117 0.634 1.00 27.51 C ATOM 1274 NH1 ARG A 85 21.558 40.878 0.147 1.00 27.71 N ATOM 1275 NH2 ARG A 85 23.826 41.076 -0.174 1.00 29.53 N ATOM 1276 HA ARG A 85 21.306 39.041 6.172 1.00 0.00 H ATOM 1277 HB2 ARG A 85 19.608 39.904 3.810 1.00 0.00 H ATOM 1278 HB3 ARG A 85 20.388 40.957 5.013 1.00 0.00 H ATOM 1279 HG2 ARG A 85 22.585 39.916 4.214 1.00 0.00 H ATOM 1280 HG3 ARG A 85 21.644 39.328 2.823 1.00 0.00 H ATOM 1281 HD2 ARG A 85 22.105 42.208 3.661 1.00 0.00 H ATOM 1282 HD3 ARG A 85 20.936 41.718 2.412 1.00 0.00 H ATOM 1283 HE ARG A 85 23.914 41.584 2.255 1.00 0.00 H ATOM 1284 HH12 ARG A 85 21.436 40.662 -0.863 1.00 0.00 H ATOM 1285 HH11 ARG A 85 20.731 40.907 0.777 1.00 0.00 H ATOM 1286 HH22 ARG A 85 23.698 40.859 -1.183 1.00 0.00 H ATOM 1287 HH21 ARG A 85 24.778 41.260 0.202 1.00 0.00 H ATOM 1288 H ARG A 85 20.060 37.161 4.168 1.00 0.00 H ATOM 1289 N GLU A 86 19.204 39.211 7.472 1.00 20.41 N ATOM 1290 CA GLU A 86 17.975 39.341 8.242 1.00 23.21 C ATOM 1291 C GLU A 86 16.911 40.194 7.535 1.00 24.79 C ATOM 1292 O GLU A 86 17.256 41.269 6.992 1.00 25.07 O ATOM 1293 CB GLU A 86 18.288 39.990 9.581 1.00 23.38 C ATOM 1294 CG GLU A 86 18.600 39.041 10.686 1.00 24.37 C ATOM 1295 CD GLU A 86 18.452 39.720 12.027 1.00 24.10 C ATOM 1296 OE1 GLU A 86 19.243 40.647 12.314 1.00 25.91 O ATOM 1297 OE2 GLU A 86 17.536 39.342 12.784 1.00 25.43 O ATOM 1298 HA GLU A 86 17.573 38.335 8.364 1.00 0.00 H ATOM 1299 HB2 GLU A 86 19.148 40.646 9.446 1.00 0.00 H ATOM 1300 HB3 GLU A 86 17.424 40.583 9.879 1.00 0.00 H ATOM 1301 HG2 GLU A 86 17.916 38.194 10.635 1.00 0.00 H ATOM 1302 HG3 GLU A 86 19.624 38.686 10.575 1.00 0.00 H ATOM 1303 H GLU A 86 20.112 39.454 7.916 1.00 0.00 H ATOM 1304 N THR A 87 15.613 39.706 7.559 1.00 27.18 N ATOM 1305 CA THR A 87 14.473 40.480 7.066 1.00 29.53 C ATOM 1306 C THR A 87 13.979 41.534 8.082 1.00 30.48 C ATOM 1307 O THR A 87 14.456 41.470 9.230 1.00 30.76 O ATOM 1308 CB THR A 87 13.288 39.544 6.716 1.00 30.13 C ATOM 1309 OG1 THR A 87 12.746 38.955 7.948 1.00 32.72 O ATOM 1310 CG2 THR A 87 13.777 38.418 5.790 1.00 29.28 C ATOM 1311 HA THR A 87 14.826 41.001 6.176 1.00 0.00 H ATOM 1312 HB THR A 87 12.511 40.120 6.213 1.00 0.00 H ATOM 1313 HG1 THR A 87 11.990 38.358 7.722 1.00 0.00 H ATOM 1314 HG23 THR A 87 14.180 38.851 4.875 1.00 0.00 H ATOM 1315 HG21 THR A 87 14.555 37.846 6.296 1.00 0.00 H ATOM 1316 HG22 THR A 87 12.942 37.762 5.546 1.00 0.00 H ATOM 1317 H THR A 87 15.443 38.754 7.942 1.00 0.00 H ATOM 1318 N GLY A 88 13.020 42.388 7.660 1.00 30.93 N ATOM 1319 CA GLY A 88 12.384 43.339 8.566 1.00 32.26 C ATOM 1320 C GLY A 88 11.667 42.573 9.727 1.00 32.73 C ATOM 1321 O GLY A 88 11.847 42.920 11.013 1.00 33.03 O ATOM 1322 HA3 GLY A 88 11.651 43.928 8.015 1.00 0.00 H ATOM 1323 HA2 GLY A 88 13.141 44.002 8.984 1.00 0.00 H ATOM 1324 H GLY A 88 12.727 42.367 6.662 1.00 0.00 H ATOM 1325 N SER A 89 10.989 41.514 9.271 1.00 33.86 N ATOM 1326 CA SER A 89 10.186 40.631 10.193 1.00 34.25 C ATOM 1327 C SER A 89 11.048 40.063 11.338 1.00 34.49 C ATOM 1328 O SER A 89 10.595 40.022 12.493 1.00 34.34 O ATOM 1329 CB SER A 89 9.578 39.456 9.406 1.00 34.61 C ATOM 1330 OG SER A 89 9.006 39.884 8.168 1.00 34.87 O ATOM 1331 HA SER A 89 9.398 41.249 10.623 1.00 0.00 H ATOM 1332 HB2 SER A 89 8.801 38.990 10.012 1.00 0.00 H ATOM 1333 HB3 SER A 89 10.361 38.727 9.199 1.00 0.00 H ATOM 1334 HG SER A 89 9.708 40.303 7.609 1.00 0.00 H ATOM 1335 H SER A 89 11.016 41.294 8.255 1.00 0.00 H ATOM 1336 N SER A 90 12.277 39.651 11.000 1.00 34.19 N ATOM 1337 CA SER A 90 13.202 38.929 11.901 1.00 34.06 C ATOM 1338 C SER A 90 13.415 39.555 13.295 1.00 34.16 C ATOM 1339 O SER A 90 13.665 40.761 13.420 1.00 34.26 O ATOM 1340 CB SER A 90 14.569 38.715 11.218 1.00 33.76 C ATOM 1341 OG SER A 90 15.432 37.949 12.057 1.00 33.21 O ATOM 1342 HA SER A 90 12.701 37.979 12.087 1.00 0.00 H ATOM 1343 HB2 SER A 90 15.027 39.684 11.021 1.00 0.00 H ATOM 1344 HB3 SER A 90 14.421 38.186 10.277 1.00 0.00 H ATOM 1345 HG SER A 90 15.570 38.429 12.912 1.00 0.00 H ATOM 1346 H SER A 90 12.605 39.853 10.034 1.00 0.00 H ATOM 1347 N LYS A 91 13.310 38.717 14.332 1.00 34.04 N ATOM 1348 CA LYS A 91 13.622 39.097 15.716 1.00 33.86 C ATOM 1349 C LYS A 91 13.969 37.857 16.550 1.00 33.31 C ATOM 1350 O LYS A 91 13.219 36.843 16.518 1.00 33.20 O ATOM 1351 CB LYS A 91 12.439 39.847 16.349 1.00 34.07 C ATOM 1352 CG LYS A 91 12.707 40.372 17.754 1.00 34.45 C ATOM 1353 CD LYS A 91 11.487 41.052 18.344 1.00 34.54 C ATOM 1354 CE LYS A 91 10.391 40.049 18.705 1.00 35.34 C ATOM 1355 NZ LYS A 91 9.249 40.721 19.370 1.00 35.45 N ATOM 1356 HA LYS A 91 14.487 39.760 15.701 1.00 0.00 H ATOM 1357 HB2 LYS A 91 12.190 40.694 15.710 1.00 0.00 H ATOM 1358 HB3 LYS A 91 11.589 39.167 16.395 1.00 0.00 H ATOM 1359 HG2 LYS A 91 12.990 39.537 18.395 1.00 0.00 H ATOM 1360 HG3 LYS A 91 13.526 41.090 17.712 1.00 0.00 H ATOM 1361 HD2 LYS A 91 11.784 41.589 19.245 1.00 0.00 H ATOM 1362 HD3 LYS A 91 11.091 41.759 17.615 1.00 0.00 H ATOM 1363 HE2 LYS A 91 10.804 39.298 19.379 1.00 0.00 H ATOM 1364 HE3 LYS A 91 10.038 39.564 17.795 1.00 0.00 H ATOM 1365 HZ1 LYS A 91 9.579 41.181 20.242 1.00 0.00 H ATOM 1366 HZ2 LYS A 91 8.848 41.436 18.730 1.00 0.00 H ATOM 1367 HZ3 LYS A 91 8.521 40.016 19.603 1.00 0.00 H ATOM 1368 H LYS A 91 12.990 37.744 14.149 1.00 0.00 H ATOM 1369 N TYR A 92 15.099 37.947 17.304 1.00 32.87 N ATOM 1370 CA TYR A 92 15.528 36.811 18.131 1.00 32.59 C ATOM 1371 C TYR A 92 14.424 36.416 19.123 1.00 32.31 C ATOM 1372 O TYR A 92 13.764 37.299 19.679 1.00 32.45 O ATOM 1373 CB TYR A 92 16.828 37.146 18.877 1.00 32.60 C ATOM 1374 CG TYR A 92 17.390 35.983 19.682 1.00 32.73 C ATOM 1375 CD1 TYR A 92 18.201 35.019 19.077 1.00 33.43 C ATOM 1376 CD2 TYR A 92 17.100 35.840 21.045 1.00 32.64 C ATOM 1377 CE1 TYR A 92 18.709 33.944 19.807 1.00 33.42 C ATOM 1378 CE2 TYR A 92 17.604 34.768 21.782 1.00 32.83 C ATOM 1379 CZ TYR A 92 18.408 33.825 21.151 1.00 33.66 C ATOM 1380 OH TYR A 92 18.914 32.762 21.867 1.00 34.53 O ATOM 1381 HA TYR A 92 15.718 35.962 17.474 1.00 0.00 H ATOM 1382 HB3 TYR A 92 16.630 37.973 19.559 1.00 0.00 H ATOM 1383 HB2 TYR A 92 17.576 37.451 18.145 1.00 0.00 H ATOM 1384 HD2 TYR A 92 16.469 36.579 21.539 1.00 0.00 H ATOM 1385 HE2 TYR A 92 17.370 34.671 22.842 1.00 0.00 H ATOM 1386 HE1 TYR A 92 19.341 33.201 19.320 1.00 0.00 H ATOM 1387 HD1 TYR A 92 18.441 35.108 18.017 1.00 0.00 H ATOM 1388 HH TYR A 92 19.460 32.193 21.269 1.00 0.00 H ATOM 1389 H TYR A 92 15.660 38.823 17.295 1.00 0.00 H ATOM 1390 N PRO A 93 14.221 35.099 19.366 1.00 31.94 N ATOM 1391 CA PRO A 93 14.922 33.924 18.837 1.00 31.59 C ATOM 1392 C PRO A 93 14.339 33.381 17.531 1.00 31.23 C ATOM 1393 O PRO A 93 14.684 32.273 17.117 1.00 31.61 O ATOM 1394 CB PRO A 93 14.774 32.900 19.968 1.00 31.79 C ATOM 1395 CG PRO A 93 13.441 33.238 20.601 1.00 31.79 C ATOM 1396 CD PRO A 93 13.157 34.706 20.318 1.00 31.85 C ATOM 1397 HA PRO A 93 15.952 34.163 18.573 1.00 0.00 H ATOM 1398 HD3 PRO A 93 12.171 34.831 19.871 1.00 0.00 H ATOM 1399 HD2 PRO A 93 13.217 35.296 21.232 1.00 0.00 H ATOM 1400 HG3 PRO A 93 13.486 33.068 21.677 1.00 0.00 H ATOM 1401 HG2 PRO A 93 12.656 32.617 20.169 1.00 0.00 H ATOM 1402 HB2 PRO A 93 14.768 31.884 19.572 1.00 0.00 H ATOM 1403 HB3 PRO A 93 15.583 33.002 20.691 1.00 0.00 H ATOM 1404 N ASN A 94 13.485 34.165 16.884 1.00 30.74 N ATOM 1405 CA ASN A 94 12.915 33.798 15.594 1.00 30.24 C ATOM 1406 C ASN A 94 13.660 34.517 14.482 1.00 29.82 C ATOM 1407 O ASN A 94 13.176 35.499 13.914 1.00 29.89 O ATOM 1408 CB ASN A 94 11.422 34.133 15.545 1.00 30.58 C ATOM 1409 CG ASN A 94 10.651 33.533 16.701 1.00 30.62 C ATOM 1410 OD1 ASN A 94 10.181 34.248 17.587 1.00 31.63 O ATOM 1411 ND2 ASN A 94 10.515 32.212 16.700 1.00 31.76 N ATOM 1412 HA ASN A 94 13.022 32.722 15.456 1.00 0.00 H ATOM 1413 HB2 ASN A 94 11.306 35.216 15.573 1.00 0.00 H ATOM 1414 HB3 ASN A 94 11.008 33.749 14.613 1.00 0.00 H ATOM 1415 HD22 ASN A 94 10.929 31.647 15.931 1.00 0.00 H ATOM 1416 HD21 ASN A 94 9.995 31.742 17.468 1.00 0.00 H ATOM 1417 H ASN A 94 13.213 35.073 17.313 1.00 0.00 H ATOM 1418 N CYS A 95 14.860 34.030 14.189 1.00 29.01 N ATOM 1419 CA CYS A 95 15.698 34.636 13.171 1.00 28.48 C ATOM 1420 C CYS A 95 15.237 34.246 11.778 1.00 28.17 C ATOM 1421 O CYS A 95 15.084 33.065 11.464 1.00 30.17 O ATOM 1422 CB CYS A 95 17.154 34.238 13.376 1.00 27.46 C ATOM 1423 SG CYS A 95 17.831 34.663 14.986 1.00 26.42 S ATOM 1424 HA CYS A 95 15.612 35.718 13.265 1.00 0.00 H ATOM 1425 HB2 CYS A 95 17.753 34.736 12.614 1.00 0.00 H ATOM 1426 HB3 CYS A 95 17.232 33.158 13.249 1.00 0.00 H ATOM 1427 H CYS A 95 15.208 33.194 14.701 1.00 0.00 H ATOM 1428 N ALA A 96 15.035 35.253 10.944 1.00 27.46 N ATOM 1429 CA ALA A 96 14.556 35.060 9.591 1.00 26.80 C ATOM 1430 C ALA A 96 15.532 35.736 8.649 1.00 26.39 C ATOM 1431 O ALA A 96 15.982 36.856 8.902 1.00 26.34 O ATOM 1432 CB ALA A 96 13.154 35.638 9.422 1.00 26.85 C ATOM 1433 HA ALA A 96 14.494 33.995 9.367 1.00 0.00 H ATOM 1434 HB1 ALA A 96 12.472 35.140 10.110 1.00 0.00 H ATOM 1435 HB2 ALA A 96 13.174 36.706 9.638 1.00 0.00 H ATOM 1436 HB3 ALA A 96 12.818 35.480 8.397 1.00 0.00 H ATOM 1437 H ALA A 96 15.228 36.221 11.273 1.00 0.00 H ATOM 1438 N TYR A 97 15.843 35.039 7.562 1.00 25.17 N ATOM 1439 CA TYR A 97 16.823 35.490 6.592 1.00 24.99 C ATOM 1440 C TYR A 97 16.294 35.441 5.172 1.00 24.76 C ATOM 1441 O TYR A 97 15.514 34.547 4.810 1.00 24.98 O ATOM 1442 CB TYR A 97 18.078 34.615 6.678 1.00 24.40 C ATOM 1443 CG TYR A 97 18.838 34.811 7.965 1.00 24.99 C ATOM 1444 CD1 TYR A 97 19.794 35.828 8.087 1.00 24.81 C ATOM 1445 CD2 TYR A 97 18.570 34.018 9.078 1.00 24.49 C ATOM 1446 CE1 TYR A 97 20.461 36.035 9.278 1.00 24.26 C ATOM 1447 CE2 TYR A 97 19.247 34.219 10.283 1.00 22.74 C ATOM 1448 CZ TYR A 97 20.182 35.232 10.373 1.00 24.19 C ATOM 1449 OH TYR A 97 20.854 35.423 11.550 1.00 23.83 O ATOM 1450 HA TYR A 97 17.056 36.527 6.832 1.00 0.00 H ATOM 1451 HB3 TYR A 97 18.734 34.864 5.844 1.00 0.00 H ATOM 1452 HB2 TYR A 97 17.780 33.569 6.605 1.00 0.00 H ATOM 1453 HD2 TYR A 97 17.821 33.229 9.008 1.00 0.00 H ATOM 1454 HE2 TYR A 97 19.040 33.583 11.144 1.00 0.00 H ATOM 1455 HE1 TYR A 97 21.205 36.828 9.357 1.00 0.00 H ATOM 1456 HD1 TYR A 97 20.014 36.464 7.230 1.00 0.00 H ATOM 1457 HH TYR A 97 21.483 36.181 11.450 1.00 0.00 H ATOM 1458 H TYR A 97 15.363 34.131 7.399 1.00 0.00 H ATOM 1459 N LYS A 98 16.746 36.403 4.379 1.00 24.52 N ATOM 1460 CA LYS A 98 16.585 36.378 2.939 1.00 25.12 C ATOM 1461 C LYS A 98 17.835 35.741 2.351 1.00 24.73 C ATOM 1462 O LYS A 98 18.957 36.172 2.649 1.00 25.37 O ATOM 1463 CB LYS A 98 16.423 37.791 2.379 1.00 25.19 C ATOM 1464 CG LYS A 98 15.650 37.869 1.069 1.00 28.64 C ATOM 1465 CD LYS A 98 16.448 37.336 -0.124 1.00 31.90 C ATOM 1466 CE LYS A 98 15.579 37.162 -1.372 1.00 32.49 C ATOM 1467 NZ LYS A 98 15.225 38.480 -1.981 1.00 34.51 N ATOM 1468 HA LYS A 98 15.690 35.812 2.679 1.00 0.00 H ATOM 1469 HB2 LYS A 98 15.898 38.393 3.121 1.00 0.00 H ATOM 1470 HB3 LYS A 98 17.417 38.207 2.213 1.00 0.00 H ATOM 1471 HG2 LYS A 98 14.737 37.282 1.168 1.00 0.00 H ATOM 1472 HG3 LYS A 98 15.392 38.911 0.878 1.00 0.00 H ATOM 1473 HD2 LYS A 98 17.251 38.037 -0.351 1.00 0.00 H ATOM 1474 HD3 LYS A 98 16.876 36.370 0.143 1.00 0.00 H ATOM 1475 HE2 LYS A 98 14.662 36.641 -1.096 1.00 0.00 H ATOM 1476 HE3 LYS A 98 16.126 36.568 -2.105 1.00 0.00 H ATOM 1477 HZ1 LYS A 98 14.698 39.050 -1.289 1.00 0.00 H ATOM 1478 HZ2 LYS A 98 16.096 38.980 -2.252 1.00 0.00 H ATOM 1479 HZ3 LYS A 98 14.636 38.324 -2.824 1.00 0.00 H ATOM 1480 H LYS A 98 17.238 37.212 4.810 1.00 0.00 H ATOM 1481 N THR A 99 17.624 34.729 1.519 1.00 23.62 N ATOM 1482 CA THR A 99 18.710 34.001 0.863 1.00 22.72 C ATOM 1483 C THR A 99 18.903 34.562 -0.544 1.00 21.78 C ATOM 1484 O THR A 99 17.925 34.673 -1.303 1.00 21.79 O ATOM 1485 CB THR A 99 18.342 32.521 0.774 1.00 22.62 C ATOM 1486 OG1 THR A 99 18.198 31.987 2.101 1.00 22.91 O ATOM 1487 CG2 THR A 99 19.381 31.732 0.006 1.00 22.41 C ATOM 1488 HA THR A 99 19.632 34.113 1.434 1.00 0.00 H ATOM 1489 HB THR A 99 17.399 32.434 0.234 1.00 0.00 H ATOM 1490 HG1 THR A 99 19.053 32.088 2.591 1.00 0.00 H ATOM 1491 HG23 THR A 99 19.481 32.146 -0.997 1.00 0.00 H ATOM 1492 HG21 THR A 99 20.338 31.794 0.523 1.00 0.00 H ATOM 1493 HG22 THR A 99 19.069 30.690 -0.059 1.00 0.00 H ATOM 1494 H THR A 99 16.644 34.441 1.325 1.00 0.00 H ATOM 1495 N THR A 100 20.141 34.916 -0.883 1.00 18.58 N ATOM 1496 CA THR A 100 20.463 35.448 -2.202 1.00 16.49 C ATOM 1497 C THR A 100 21.724 34.814 -2.770 1.00 15.09 C ATOM 1498 O THR A 100 22.764 34.812 -2.136 1.00 14.26 O ATOM 1499 CB THR A 100 20.670 36.978 -2.148 1.00 16.44 C ATOM 1500 OG1 THR A 100 19.446 37.589 -1.725 1.00 17.40 O ATOM 1501 CG2 THR A 100 21.062 37.507 -3.535 1.00 17.78 C ATOM 1502 HA THR A 100 19.617 35.210 -2.847 1.00 0.00 H ATOM 1503 HB THR A 100 21.470 37.217 -1.447 1.00 0.00 H ATOM 1504 HG1 THR A 100 19.202 37.249 -0.828 1.00 0.00 H ATOM 1505 HG23 THR A 100 21.994 37.038 -3.851 1.00 0.00 H ATOM 1506 HG21 THR A 100 20.274 37.269 -4.249 1.00 0.00 H ATOM 1507 HG22 THR A 100 21.196 38.588 -3.486 1.00 0.00 H ATOM 1508 H THR A 100 20.904 34.810 -0.184 1.00 0.00 H ATOM 1509 N GLN A 101 21.627 34.270 -3.973 1.00 13.64 N ATOM 1510 CA GLN A 101 22.789 33.674 -4.604 1.00 12.51 C ATOM 1511 C GLN A 101 23.398 34.630 -5.621 1.00 11.41 C ATOM 1512 O GLN A 101 22.688 35.180 -6.474 1.00 11.74 O ATOM 1513 CB GLN A 101 22.417 32.337 -5.248 1.00 12.96 C ATOM 1514 CG GLN A 101 22.055 31.275 -4.206 1.00 14.43 C ATOM 1515 CD GLN A 101 21.410 30.043 -4.815 1.00 19.43 C ATOM 1516 OE1 GLN A 101 22.086 29.225 -5.436 1.00 21.51 O ATOM 1517 NE2 GLN A 101 20.101 29.898 -4.627 1.00 21.25 N ATOM 1518 HA GLN A 101 23.542 33.481 -3.840 1.00 0.00 H ATOM 1519 HB2 GLN A 101 21.562 32.490 -5.906 1.00 0.00 H ATOM 1520 HB3 GLN A 101 23.265 31.981 -5.833 1.00 0.00 H ATOM 1521 HG2 GLN A 101 22.965 30.971 -3.688 1.00 0.00 H ATOM 1522 HG3 GLN A 101 21.360 31.713 -3.490 1.00 0.00 H ATOM 1523 HE22 GLN A 101 19.569 30.616 -4.095 1.00 0.00 H ATOM 1524 HE21 GLN A 101 19.609 29.067 -5.012 1.00 0.00 H ATOM 1525 H GLN A 101 20.713 34.270 -4.468 1.00 0.00 H ATOM 1526 N VAL A 102 24.711 34.821 -5.526 1.00 9.87 N ATOM 1527 CA VAL A 102 25.440 35.679 -6.468 1.00 9.64 C ATOM 1528 C VAL A 102 26.801 35.078 -6.757 1.00 9.63 C ATOM 1529 O VAL A 102 27.253 34.167 -6.051 1.00 10.17 O ATOM 1530 CB VAL A 102 25.631 37.139 -5.945 1.00 8.67 C ATOM 1531 CG1 VAL A 102 24.278 37.895 -5.889 1.00 10.68 C ATOM 1532 CG2 VAL A 102 26.379 37.150 -4.602 1.00 9.59 C ATOM 1533 HA VAL A 102 24.836 35.733 -7.374 1.00 0.00 H ATOM 1534 HB VAL A 102 26.257 37.681 -6.654 1.00 0.00 H ATOM 1535 HG11 VAL A 102 23.845 37.936 -6.888 1.00 0.00 H ATOM 1536 HG12 VAL A 102 23.598 37.370 -5.218 1.00 0.00 H ATOM 1537 HG13 VAL A 102 24.444 38.908 -5.521 1.00 0.00 H ATOM 1538 HG21 VAL A 102 25.808 36.586 -3.865 1.00 0.00 H ATOM 1539 HG22 VAL A 102 27.360 36.693 -4.730 1.00 0.00 H ATOM 1540 HG23 VAL A 102 26.498 38.179 -4.262 1.00 0.00 H ATOM 1541 H VAL A 102 25.236 34.349 -4.762 1.00 0.00 H ATOM 1542 N GLU A 103 27.452 35.603 -7.787 1.00 9.13 N ATOM 1543 CA GLU A 103 28.820 35.244 -8.121 1.00 10.49 C ATOM 1544 C GLU A 103 29.638 36.522 -8.024 1.00 10.14 C ATOM 1545 O GLU A 103 29.445 37.464 -8.798 1.00 10.14 O ATOM 1546 CB GLU A 103 28.915 34.596 -9.510 1.00 10.84 C ATOM 1547 CG GLU A 103 28.118 33.295 -9.622 1.00 12.18 C ATOM 1548 CD GLU A 103 28.524 32.412 -10.796 1.00 12.91 C ATOM 1549 OE1 GLU A 103 29.528 32.711 -11.479 1.00 14.45 O ATOM 1550 OE2 GLU A 103 27.830 31.385 -11.015 1.00 18.06 O ATOM 1551 HA GLU A 103 29.205 34.493 -7.432 1.00 0.00 H ATOM 1552 HB2 GLU A 103 28.534 35.301 -10.249 1.00 0.00 H ATOM 1553 HB3 GLU A 103 29.962 34.381 -9.722 1.00 0.00 H ATOM 1554 HG2 GLU A 103 28.259 32.727 -8.702 1.00 0.00 H ATOM 1555 HG3 GLU A 103 27.064 33.548 -9.733 1.00 0.00 H ATOM 1556 H GLU A 103 26.962 36.302 -8.381 1.00 0.00 H ATOM 1557 N LYS A 104 30.537 36.561 -7.048 1.00 10.46 N ATOM 1558 CA LYS A 104 31.309 37.767 -6.760 1.00 9.98 C ATOM 1559 C LYS A 104 32.712 37.407 -6.329 1.00 10.29 C ATOM 1560 O LYS A 104 32.957 36.279 -5.895 1.00 10.28 O ATOM 1561 CB LYS A 104 30.652 38.593 -5.642 1.00 10.44 C ATOM 1562 CG LYS A 104 29.320 39.189 -6.035 1.00 9.38 C ATOM 1563 CD LYS A 104 28.710 40.019 -4.924 1.00 8.36 C ATOM 1564 CE LYS A 104 29.423 41.346 -4.751 1.00 10.92 C ATOM 1565 NZ LYS A 104 28.846 42.125 -3.634 1.00 11.48 N ATOM 1566 HA LYS A 104 31.340 38.358 -7.675 1.00 0.00 H ATOM 1567 HB2 LYS A 104 30.499 37.945 -4.779 1.00 0.00 H ATOM 1568 HB3 LYS A 104 31.327 39.405 -5.371 1.00 0.00 H ATOM 1569 HG2 LYS A 104 29.464 39.825 -6.909 1.00 0.00 H ATOM 1570 HG3 LYS A 104 28.634 38.380 -6.285 1.00 0.00 H ATOM 1571 HD2 LYS A 104 27.663 40.210 -5.161 1.00 0.00 H ATOM 1572 HD3 LYS A 104 28.774 39.460 -3.990 1.00 0.00 H ATOM 1573 HE2 LYS A 104 29.330 41.922 -5.672 1.00 0.00 H ATOM 1574 HE3 LYS A 104 30.477 41.159 -4.546 1.00 0.00 H ATOM 1575 HZ1 LYS A 104 27.841 42.311 -3.826 1.00 0.00 H ATOM 1576 HZ2 LYS A 104 28.937 41.583 -2.751 1.00 0.00 H ATOM 1577 HZ3 LYS A 104 29.356 43.027 -3.542 1.00 0.00 H ATOM 1578 H LYS A 104 30.696 35.709 -6.473 1.00 0.00 H ATOM 1579 N HIS A 105 33.631 38.360 -6.447 1.00 10.25 N ATOM 1580 CA HIS A 105 34.937 38.211 -5.790 1.00 11.04 C ATOM 1581 C HIS A 105 34.757 38.262 -4.281 1.00 11.71 C ATOM 1582 O HIS A 105 33.936 39.031 -3.758 1.00 12.24 O ATOM 1583 CB HIS A 105 35.927 39.294 -6.223 1.00 11.47 C ATOM 1584 CG HIS A 105 36.158 39.345 -7.698 1.00 13.21 C ATOM 1585 ND1 HIS A 105 37.179 38.655 -8.315 1.00 14.58 N ATOM 1586 CD2 HIS A 105 35.497 40.002 -8.682 1.00 14.50 C ATOM 1587 CE1 HIS A 105 37.139 38.885 -9.616 1.00 15.32 C ATOM 1588 NE2 HIS A 105 36.133 39.705 -9.865 1.00 15.28 N ATOM 1589 HA HIS A 105 35.349 37.247 -6.090 1.00 0.00 H ATOM 1590 HB2 HIS A 105 35.541 40.261 -5.902 1.00 0.00 H ATOM 1591 HB3 HIS A 105 36.881 39.104 -5.732 1.00 0.00 H ATOM 1592 HD2 HIS A 105 34.625 40.645 -8.559 1.00 0.00 H ATOM 1593 HE1 HIS A 105 37.820 38.469 -10.358 1.00 0.00 H ATOM 1594 H HIS A 105 33.425 39.213 -7.005 1.00 0.00 H ATOM 1595 N ILE A 106 35.514 37.439 -3.571 1.00 11.09 N ATOM 1596 CA ILE A 106 35.458 37.527 -2.109 1.00 10.77 C ATOM 1597 C ILE A 106 36.725 38.180 -1.568 1.00 10.31 C ATOM 1598 O ILE A 106 37.793 38.102 -2.180 1.00 10.74 O ATOM 1599 CB ILE A 106 35.188 36.153 -1.432 1.00 10.24 C ATOM 1600 CG1 ILE A 106 36.369 35.191 -1.611 1.00 11.11 C ATOM 1601 CG2 ILE A 106 33.877 35.517 -1.996 1.00 12.07 C ATOM 1602 CD1 ILE A 106 36.271 33.932 -0.769 1.00 11.38 C ATOM 1603 HA ILE A 106 34.606 38.158 -1.855 1.00 0.00 H ATOM 1604 HB ILE A 106 35.066 36.330 -0.363 1.00 0.00 H ATOM 1605 HG12 ILE A 106 36.418 34.899 -2.660 1.00 0.00 H ATOM 1606 HG13 ILE A 106 37.284 35.716 -1.338 1.00 0.00 H ATOM 1607 HD11 ILE A 106 36.233 34.204 0.286 1.00 0.00 H ATOM 1608 HD12 ILE A 106 35.366 33.386 -1.038 1.00 0.00 H ATOM 1609 HD13 ILE A 106 37.143 33.305 -0.953 1.00 0.00 H ATOM 1610 HG21 ILE A 106 33.037 36.183 -1.797 1.00 0.00 H ATOM 1611 HG22 ILE A 106 33.979 35.370 -3.071 1.00 0.00 H ATOM 1612 HG23 ILE A 106 33.703 34.556 -1.512 1.00 0.00 H ATOM 1613 H ILE A 106 36.133 36.747 -4.040 1.00 0.00 H ATOM 1614 N ILE A 107 36.585 38.834 -0.417 1.00 9.87 N ATOM 1615 CA ILE A 107 37.738 39.378 0.287 1.00 9.06 C ATOM 1616 C ILE A 107 37.728 38.765 1.660 1.00 9.56 C ATOM 1617 O ILE A 107 36.728 38.865 2.366 1.00 9.27 O ATOM 1618 CB ILE A 107 37.681 40.925 0.426 1.00 9.00 C ATOM 1619 CG1 ILE A 107 37.618 41.570 -0.961 1.00 9.29 C ATOM 1620 CG2 ILE A 107 38.891 41.423 1.169 1.00 9.15 C ATOM 1621 CD1 ILE A 107 37.327 43.087 -0.939 1.00 10.31 C ATOM 1622 HA ILE A 107 38.642 39.146 -0.275 1.00 0.00 H ATOM 1623 HB ILE A 107 36.787 41.197 0.987 1.00 0.00 H ATOM 1624 HG12 ILE A 107 38.576 41.412 -1.456 1.00 0.00 H ATOM 1625 HG13 ILE A 107 36.830 41.078 -1.532 1.00 0.00 H ATOM 1626 HD11 ILE A 107 36.365 43.264 -0.458 1.00 0.00 H ATOM 1627 HD12 ILE A 107 38.112 43.598 -0.382 1.00 0.00 H ATOM 1628 HD13 ILE A 107 37.299 43.465 -1.961 1.00 0.00 H ATOM 1629 HG21 ILE A 107 38.916 40.975 2.162 1.00 0.00 H ATOM 1630 HG22 ILE A 107 39.792 41.146 0.621 1.00 0.00 H ATOM 1631 HG23 ILE A 107 38.839 42.508 1.260 1.00 0.00 H ATOM 1632 H ILE A 107 35.635 38.959 -0.013 1.00 0.00 H ATOM 1633 N VAL A 108 38.831 38.117 2.026 1.00 9.31 N ATOM 1634 CA VAL A 108 38.937 37.468 3.338 1.00 9.55 C ATOM 1635 C VAL A 108 40.207 37.937 4.028 1.00 9.44 C ATOM 1636 O VAL A 108 41.174 38.328 3.357 1.00 10.22 O ATOM 1637 CB VAL A 108 38.963 35.917 3.219 1.00 9.71 C ATOM 1638 CG1 VAL A 108 37.679 35.402 2.600 1.00 10.52 C ATOM 1639 CG2 VAL A 108 40.172 35.459 2.379 1.00 11.53 C ATOM 1640 HA VAL A 108 38.058 37.745 3.920 1.00 0.00 H ATOM 1641 HB VAL A 108 39.054 35.504 4.224 1.00 0.00 H ATOM 1642 HG11 VAL A 108 36.834 35.693 3.224 1.00 0.00 H ATOM 1643 HG12 VAL A 108 37.560 35.829 1.604 1.00 0.00 H ATOM 1644 HG13 VAL A 108 37.722 34.315 2.528 1.00 0.00 H ATOM 1645 HG21 VAL A 108 40.103 35.890 1.380 1.00 0.00 H ATOM 1646 HG22 VAL A 108 41.093 35.793 2.857 1.00 0.00 H ATOM 1647 HG23 VAL A 108 40.172 34.371 2.308 1.00 0.00 H ATOM 1648 H VAL A 108 39.635 38.069 1.368 1.00 0.00 H ATOM 1649 N ALA A 109 40.187 37.904 5.358 1.00 9.02 N ATOM 1650 CA ALA A 109 41.422 38.102 6.131 1.00 9.22 C ATOM 1651 C ALA A 109 42.082 36.726 6.296 1.00 9.86 C ATOM 1652 O ALA A 109 41.394 35.735 6.524 1.00 10.50 O ATOM 1653 CB ALA A 109 41.130 38.718 7.480 1.00 10.09 C ATOM 1654 HA ALA A 109 42.087 38.789 5.608 1.00 0.00 H ATOM 1655 HB1 ALA A 109 40.648 39.686 7.340 1.00 0.00 H ATOM 1656 HB2 ALA A 109 40.469 38.060 8.043 1.00 0.00 H ATOM 1657 HB3 ALA A 109 42.063 38.851 8.027 1.00 0.00 H ATOM 1658 H ALA A 109 39.289 37.737 5.856 1.00 0.00 H ATOM 1659 N CYS A 110 43.403 36.678 6.159 1.00 9.35 N ATOM 1660 CA CYS A 110 44.180 35.454 6.347 1.00 10.31 C ATOM 1661 C CYS A 110 45.133 35.589 7.520 1.00 10.53 C ATOM 1662 O CYS A 110 45.800 36.618 7.706 1.00 10.79 O ATOM 1663 CB CYS A 110 44.971 35.117 5.089 1.00 10.04 C ATOM 1664 SG CYS A 110 43.860 34.909 3.665 1.00 12.82 S ATOM 1665 HA CYS A 110 43.476 34.648 6.554 1.00 0.00 H ATOM 1666 HB2 CYS A 110 45.523 34.191 5.251 1.00 0.00 H ATOM 1667 HB3 CYS A 110 45.673 35.925 4.880 1.00 0.00 H ATOM 1668 H CYS A 110 43.907 37.552 5.906 1.00 0.00 H ATOM 1669 N GLY A 111 45.206 34.522 8.303 1.00 10.46 N ATOM 1670 CA GLY A 111 46.068 34.505 9.491 1.00 10.26 C ATOM 1671 C GLY A 111 46.475 33.090 9.834 1.00 9.98 C ATOM 1672 O GLY A 111 45.969 32.112 9.258 1.00 10.50 O ATOM 1673 HA3 GLY A 111 45.526 34.936 10.333 1.00 0.00 H ATOM 1674 HA2 GLY A 111 46.962 35.097 9.294 1.00 0.00 H ATOM 1675 H GLY A 111 44.641 33.680 8.071 1.00 0.00 H ATOM 1676 N GLY A 112 47.382 32.983 10.794 1.00 9.46 N ATOM 1677 CA GLY A 112 47.899 31.702 11.218 1.00 10.04 C ATOM 1678 C GLY A 112 49.038 31.222 10.343 1.00 9.62 C ATOM 1679 O GLY A 112 49.489 31.917 9.420 1.00 9.41 O ATOM 1680 HA3 GLY A 112 47.094 30.969 11.179 1.00 0.00 H ATOM 1681 HA2 GLY A 112 48.258 31.791 12.243 1.00 0.00 H ATOM 1682 H GLY A 112 47.732 33.846 11.256 1.00 0.00 H ATOM 1683 N LYS A 113 49.481 30.009 10.658 1.00 9.95 N ATOM 1684 CA LYS A 113 50.495 29.298 9.895 1.00 10.04 C ATOM 1685 C LYS A 113 50.067 27.835 9.784 1.00 9.15 C ATOM 1686 O LYS A 113 50.016 27.139 10.795 1.00 8.75 O ATOM 1687 CB LYS A 113 51.818 29.349 10.635 1.00 11.40 C ATOM 1688 CG LYS A 113 52.572 30.637 10.471 1.00 14.60 C ATOM 1689 CD LYS A 113 53.983 30.479 11.044 1.00 19.94 C ATOM 1690 CE LYS A 113 54.757 29.351 10.333 1.00 22.22 C ATOM 1691 NZ LYS A 113 55.507 28.412 11.265 1.00 25.60 N ATOM 1692 HA LYS A 113 50.605 29.753 8.911 1.00 0.00 H ATOM 1693 HB2 LYS A 113 51.621 29.202 11.697 1.00 0.00 H ATOM 1694 HB3 LYS A 113 52.446 28.537 10.268 1.00 0.00 H ATOM 1695 HG2 LYS A 113 52.636 30.889 9.412 1.00 0.00 H ATOM 1696 HG3 LYS A 113 52.051 31.434 11.002 1.00 0.00 H ATOM 1697 HD2 LYS A 113 54.525 31.416 10.916 1.00 0.00 H ATOM 1698 HD3 LYS A 113 53.910 30.245 12.106 1.00 0.00 H ATOM 1699 HE2 LYS A 113 55.480 29.808 9.657 1.00 0.00 H ATOM 1700 HE3 LYS A 113 54.045 28.761 9.756 1.00 0.00 H ATOM 1701 HZ1 LYS A 113 56.202 28.955 11.816 1.00 0.00 H ATOM 1702 HZ2 LYS A 113 54.832 27.955 11.911 1.00 0.00 H ATOM 1703 HZ3 LYS A 113 55.997 27.687 10.703 1.00 0.00 H ATOM 1704 H LYS A 113 49.080 29.542 11.497 1.00 0.00 H ATOM 1705 N PRO A 114 49.753 27.366 8.560 1.00 9.24 N ATOM 1706 CA PRO A 114 49.694 28.074 7.284 1.00 9.50 C ATOM 1707 C PRO A 114 48.716 29.239 7.321 1.00 9.68 C ATOM 1708 O PRO A 114 47.749 29.224 8.092 1.00 9.90 O ATOM 1709 CB PRO A 114 49.140 27.010 6.309 1.00 9.85 C ATOM 1710 CG PRO A 114 49.299 25.743 6.956 1.00 10.52 C ATOM 1711 CD PRO A 114 49.394 25.943 8.418 1.00 8.92 C ATOM 1712 HA PRO A 114 50.666 28.486 7.014 1.00 0.00 H ATOM 1713 HD3 PRO A 114 48.440 25.734 8.901 1.00 0.00 H ATOM 1714 HD2 PRO A 114 50.165 25.304 8.848 1.00 0.00 H ATOM 1715 HG3 PRO A 114 50.208 25.262 6.595 1.00 0.00 H ATOM 1716 HG2 PRO A 114 48.441 25.110 6.731 1.00 0.00 H ATOM 1717 HB2 PRO A 114 48.086 27.199 6.104 1.00 0.00 H ATOM 1718 HB3 PRO A 114 49.699 27.028 5.374 1.00 0.00 H ATOM 1719 N SER A 115 48.955 30.248 6.484 1.00 9.35 N ATOM 1720 CA SER A 115 48.042 31.400 6.418 1.00 9.26 C ATOM 1721 C SER A 115 46.753 30.965 5.733 1.00 9.49 C ATOM 1722 O SER A 115 46.771 30.570 4.550 1.00 9.46 O ATOM 1723 CB SER A 115 48.675 32.547 5.617 1.00 9.58 C ATOM 1724 OG SER A 115 47.839 33.690 5.622 1.00 9.66 O ATOM 1725 HA SER A 115 47.838 31.751 7.430 1.00 0.00 H ATOM 1726 HB2 SER A 115 48.829 32.222 4.588 1.00 0.00 H ATOM 1727 HB3 SER A 115 49.636 32.806 6.062 1.00 0.00 H ATOM 1728 HG SER A 115 48.268 34.414 5.100 1.00 0.00 H ATOM 1729 H SER A 115 49.795 30.221 5.871 1.00 0.00 H ATOM 1730 N VAL A 116 45.650 31.003 6.474 1.00 9.02 N ATOM 1731 CA VAL A 116 44.353 30.566 5.943 1.00 8.82 C ATOM 1732 C VAL A 116 43.293 31.592 6.247 1.00 8.95 C ATOM 1733 O VAL A 116 43.513 32.449 7.087 1.00 8.69 O ATOM 1734 CB VAL A 116 43.912 29.202 6.533 1.00 8.91 C ATOM 1735 CG1 VAL A 116 44.889 28.086 6.077 1.00 8.54 C ATOM 1736 CG2 VAL A 116 43.795 29.277 8.064 1.00 9.22 C ATOM 1737 HA VAL A 116 44.473 30.453 4.865 1.00 0.00 H ATOM 1738 HB VAL A 116 42.921 28.954 6.153 1.00 0.00 H ATOM 1739 HG11 VAL A 116 44.886 28.025 4.989 1.00 0.00 H ATOM 1740 HG12 VAL A 116 45.895 28.320 6.426 1.00 0.00 H ATOM 1741 HG13 VAL A 116 44.570 27.132 6.497 1.00 0.00 H ATOM 1742 HG21 VAL A 116 44.762 29.546 8.488 1.00 0.00 H ATOM 1743 HG22 VAL A 116 43.056 30.031 8.334 1.00 0.00 H ATOM 1744 HG23 VAL A 116 43.484 28.307 8.451 1.00 0.00 H ATOM 1745 H VAL A 116 45.707 31.350 7.453 1.00 0.00 H ATOM 1746 N PRO A 117 42.137 31.512 5.578 1.00 9.62 N ATOM 1747 CA PRO A 117 41.068 32.474 5.874 1.00 9.69 C ATOM 1748 C PRO A 117 40.583 32.399 7.316 1.00 10.27 C ATOM 1749 O PRO A 117 40.328 31.304 7.847 1.00 10.61 O ATOM 1750 CB PRO A 117 39.951 32.063 4.902 1.00 10.59 C ATOM 1751 CG PRO A 117 40.674 31.374 3.788 1.00 10.81 C ATOM 1752 CD PRO A 117 41.766 30.613 4.469 1.00 9.11 C ATOM 1753 HA PRO A 117 41.404 33.504 5.755 1.00 0.00 H ATOM 1754 HD3 PRO A 117 41.405 29.654 4.842 1.00 0.00 H ATOM 1755 HD2 PRO A 117 42.608 30.446 3.798 1.00 0.00 H ATOM 1756 HG3 PRO A 117 41.088 32.100 3.089 1.00 0.00 H ATOM 1757 HG2 PRO A 117 40.006 30.697 3.255 1.00 0.00 H ATOM 1758 HB2 PRO A 117 39.247 31.385 5.385 1.00 0.00 H ATOM 1759 HB3 PRO A 117 39.416 32.938 4.534 1.00 0.00 H ATOM 1760 N VAL A 118 40.519 33.563 7.954 1.00 10.31 N ATOM 1761 CA VAL A 118 40.069 33.672 9.342 1.00 11.31 C ATOM 1762 C VAL A 118 38.878 34.614 9.541 1.00 11.67 C ATOM 1763 O VAL A 118 38.244 34.609 10.588 1.00 13.48 O ATOM 1764 CB VAL A 118 41.230 34.045 10.305 1.00 11.33 C ATOM 1765 CG1 VAL A 118 42.285 32.925 10.347 1.00 11.81 C ATOM 1766 CG2 VAL A 118 41.856 35.400 9.902 1.00 11.85 C ATOM 1767 HA VAL A 118 39.715 32.673 9.597 1.00 0.00 H ATOM 1768 HB VAL A 118 40.825 34.153 11.311 1.00 0.00 H ATOM 1769 HG11 VAL A 118 41.820 32.003 10.696 1.00 0.00 H ATOM 1770 HG12 VAL A 118 42.692 32.773 9.347 1.00 0.00 H ATOM 1771 HG13 VAL A 118 43.088 33.209 11.028 1.00 0.00 H ATOM 1772 HG21 VAL A 118 42.247 35.331 8.887 1.00 0.00 H ATOM 1773 HG22 VAL A 118 41.094 36.178 9.947 1.00 0.00 H ATOM 1774 HG23 VAL A 118 42.667 35.643 10.589 1.00 0.00 H ATOM 1775 H VAL A 118 40.799 34.428 7.448 1.00 0.00 H ATOM 1776 N HIS A 119 38.575 35.420 8.530 1.00 10.87 N ATOM 1777 CA HIS A 119 37.452 36.354 8.607 1.00 11.18 C ATOM 1778 C HIS A 119 36.960 36.595 7.204 1.00 10.89 C ATOM 1779 O HIS A 119 37.762 36.639 6.251 1.00 11.19 O ATOM 1780 CB HIS A 119 37.897 37.675 9.254 1.00 11.76 C ATOM 1781 CG HIS A 119 36.859 38.760 9.234 1.00 14.11 C ATOM 1782 ND1 HIS A 119 35.811 38.803 10.128 1.00 17.02 N ATOM 1783 CD2 HIS A 119 36.729 39.857 8.450 1.00 15.71 C ATOM 1784 CE1 HIS A 119 35.072 39.872 9.886 1.00 15.84 C ATOM 1785 NE2 HIS A 119 35.601 40.522 8.866 1.00 15.99 N ATOM 1786 HA HIS A 119 36.654 35.938 9.222 1.00 0.00 H ATOM 1787 HB2 HIS A 119 38.160 37.474 10.293 1.00 0.00 H ATOM 1788 HB3 HIS A 119 38.777 38.036 8.721 1.00 0.00 H ATOM 1789 HD2 HIS A 119 37.395 40.156 7.640 1.00 0.00 H ATOM 1790 HE1 HIS A 119 34.178 40.167 10.435 1.00 0.00 H ATOM 1791 H HIS A 119 39.149 35.386 7.664 1.00 0.00 H ATOM 1792 N PHE A 120 35.639 36.709 7.065 1.00 10.58 N ATOM 1793 CA PHE A 120 35.070 37.069 5.780 1.00 10.63 C ATOM 1794 C PHE A 120 34.843 38.572 5.797 1.00 10.85 C ATOM 1795 O PHE A 120 34.048 39.077 6.594 1.00 11.96 O ATOM 1796 CB PHE A 120 33.752 36.331 5.521 1.00 10.45 C ATOM 1797 CG PHE A 120 33.248 36.504 4.105 1.00 10.91 C ATOM 1798 CD1 PHE A 120 32.534 37.654 3.731 1.00 11.37 C ATOM 1799 CD2 PHE A 120 33.562 35.556 3.132 1.00 12.10 C ATOM 1800 CE1 PHE A 120 32.097 37.821 2.418 1.00 12.11 C ATOM 1801 CE2 PHE A 120 33.146 35.723 1.825 1.00 13.47 C ATOM 1802 CZ PHE A 120 32.407 36.848 1.466 1.00 12.26 C ATOM 1803 HA PHE A 120 35.750 36.783 4.978 1.00 0.00 H ATOM 1804 HB2 PHE A 120 33.906 35.268 5.708 1.00 0.00 H ATOM 1805 HB3 PHE A 120 32.998 36.714 6.208 1.00 0.00 H ATOM 1806 HD2 PHE A 120 34.142 34.674 3.405 1.00 0.00 H ATOM 1807 HE2 PHE A 120 33.396 34.974 1.074 1.00 0.00 H ATOM 1808 HZ PHE A 120 32.069 36.969 0.437 1.00 0.00 H ATOM 1809 HE1 PHE A 120 31.519 38.702 2.137 1.00 0.00 H ATOM 1810 HD1 PHE A 120 32.320 38.422 4.474 1.00 0.00 H ATOM 1811 H PHE A 120 35.015 36.539 7.880 1.00 0.00 H ATOM 1812 N ASP A 121 35.546 39.285 4.926 1.00 10.53 N ATOM 1813 CA ASP A 121 35.507 40.740 4.960 1.00 11.17 C ATOM 1814 C ASP A 121 34.403 41.384 4.139 1.00 11.07 C ATOM 1815 O ASP A 121 33.714 42.284 4.636 1.00 11.96 O ATOM 1816 CB ASP A 121 36.861 41.325 4.542 1.00 11.04 C ATOM 1817 CG ASP A 121 37.080 42.717 5.087 1.00 13.56 C ATOM 1818 OD1 ASP A 121 37.047 42.864 6.323 1.00 16.18 O ATOM 1819 OD2 ASP A 121 37.301 43.646 4.296 1.00 14.08 O ATOM 1820 HA ASP A 121 35.280 40.981 5.998 1.00 0.00 H ATOM 1821 HB2 ASP A 121 37.653 40.675 4.913 1.00 0.00 H ATOM 1822 HB3 ASP A 121 36.905 41.364 3.454 1.00 0.00 H ATOM 1823 H ASP A 121 36.129 38.801 4.214 1.00 0.00 H ATOM 1824 N ALA A 122 34.275 40.963 2.881 1.00 10.16 N ATOM 1825 CA ALA A 122 33.396 41.606 1.906 1.00 10.39 C ATOM 1826 C ALA A 122 33.320 40.754 0.646 1.00 10.94 C ATOM 1827 O ALA A 122 34.145 39.871 0.424 1.00 11.22 O ATOM 1828 CB ALA A 122 33.939 42.980 1.554 1.00 10.44 C ATOM 1829 HA ALA A 122 32.400 41.710 2.336 1.00 0.00 H ATOM 1830 HB1 ALA A 122 33.988 43.591 2.455 1.00 0.00 H ATOM 1831 HB2 ALA A 122 34.937 42.877 1.128 1.00 0.00 H ATOM 1832 HB3 ALA A 122 33.280 43.454 0.827 1.00 0.00 H ATOM 1833 H ALA A 122 34.828 40.136 2.578 1.00 0.00 H ATOM 1834 N SER A 123 32.331 41.036 -0.198 1.00 11.55 N ATOM 1835 CA SER A 123 32.360 40.559 -1.569 1.00 11.53 C ATOM 1836 C SER A 123 32.279 41.776 -2.469 1.00 12.26 C ATOM 1837 O SER A 123 31.732 42.800 -2.072 1.00 12.24 O ATOM 1838 CB SER A 123 31.201 39.629 -1.862 1.00 11.55 C ATOM 1839 OG SER A 123 29.965 40.281 -1.673 1.00 13.42 O ATOM 1840 HA SER A 123 33.276 39.994 -1.741 1.00 0.00 H ATOM 1841 HB2 SER A 123 31.256 38.770 -1.194 1.00 0.00 H ATOM 1842 HB3 SER A 123 31.270 39.289 -2.895 1.00 0.00 H ATOM 1843 HG SER A 123 29.895 40.588 -0.734 1.00 0.00 H ATOM 1844 H SER A 123 31.525 41.606 0.129 1.00 0.00 H ATOM 1845 N VAL A 124 32.846 41.659 -3.660 1.00 12.72 N ATOM 1846 CA VAL A 124 32.849 42.769 -4.618 1.00 14.55 C ATOM 1847 C VAL A 124 32.522 42.272 -6.035 1.00 14.85 C ATOM 1848 O VAL A 124 32.765 41.126 -6.388 1.00 15.28 O ATOM 1849 CB VAL A 124 34.167 43.591 -4.555 1.00 14.47 C ATOM 1850 CG1 VAL A 124 35.382 42.703 -4.772 1.00 16.08 C ATOM 1851 CG2 VAL A 124 34.129 44.740 -5.563 1.00 15.68 C ATOM 1852 HA VAL A 124 32.056 43.460 -4.332 1.00 0.00 H ATOM 1853 OXT VAL A 124 31.962 42.995 -6.870 1.00 15.80 O ATOM 1854 HB VAL A 124 34.254 44.019 -3.556 1.00 0.00 H ATOM 1855 HG11 VAL A 124 35.413 41.936 -3.998 1.00 0.00 H ATOM 1856 HG12 VAL A 124 35.314 42.229 -5.751 1.00 0.00 H ATOM 1857 HG13 VAL A 124 36.287 43.309 -4.722 1.00 0.00 H ATOM 1858 HG21 VAL A 124 34.010 44.336 -6.568 1.00 0.00 H ATOM 1859 HG22 VAL A 124 33.290 45.396 -5.332 1.00 0.00 H ATOM 1860 HG23 VAL A 124 35.060 45.304 -5.504 1.00 0.00 H ATOM 1861 H VAL A 124 33.299 40.760 -3.922 1.00 0.00 H TER 1862 VAL A 124 ATOM 1863 N LYS B 1 39.398 26.470 22.797 1.00 16.69 N ATOM 1864 CA LYS B 1 38.630 27.479 22.027 1.00 16.31 C ATOM 1865 C LYS B 1 38.715 27.146 20.536 1.00 15.39 C ATOM 1866 O LYS B 1 39.797 26.862 20.022 1.00 16.01 O ATOM 1867 CB LYS B 1 39.184 28.879 22.331 1.00 16.95 C ATOM 1868 CG LYS B 1 38.292 30.052 21.916 1.00 18.75 C ATOM 1869 CD LYS B 1 38.972 30.952 20.906 1.00 21.69 C ATOM 1870 CE LYS B 1 38.342 32.348 20.883 1.00 23.01 C ATOM 1871 NZ LYS B 1 38.927 33.214 19.812 1.00 24.79 N ATOM 1872 HA LYS B 1 37.579 27.464 22.317 1.00 0.00 H ATOM 1873 HB2 LYS B 1 39.349 28.948 23.406 1.00 0.00 H ATOM 1874 HB3 LYS B 1 40.137 28.982 21.811 1.00 0.00 H ATOM 1875 HG2 LYS B 1 37.375 29.659 21.477 1.00 0.00 H ATOM 1876 HG3 LYS B 1 38.047 30.638 22.801 1.00 0.00 H ATOM 1877 HD2 LYS B 1 40.027 31.043 21.166 1.00 0.00 H ATOM 1878 HD3 LYS B 1 38.881 30.506 19.916 1.00 0.00 H ATOM 1879 HE2 LYS B 1 38.507 32.824 21.849 1.00 0.00 H ATOM 1880 HE3 LYS B 1 37.271 32.247 20.708 1.00 0.00 H ATOM 1881 HZ1 LYS B 1 39.948 33.322 19.975 1.00 0.00 H ATOM 1882 HZ2 LYS B 1 38.768 32.771 18.884 1.00 0.00 H ATOM 1883 HZ3 LYS B 1 38.470 34.148 19.835 1.00 0.00 H ATOM 1884 HN3 LYS B 1 40.392 26.486 22.492 1.00 0.00 H ATOM 1885 HN2 LYS B 1 38.996 25.526 22.626 1.00 0.00 H ATOM 1886 HN1 LYS B 1 39.342 26.694 23.811 1.00 0.00 H ATOM 1887 N GLU B 2 37.569 27.156 19.854 1.00 13.74 N ATOM 1888 CA GLU B 2 37.502 26.933 18.409 1.00 12.14 C ATOM 1889 C GLU B 2 38.528 27.823 17.700 1.00 10.65 C ATOM 1890 O GLU B 2 38.631 29.007 17.999 1.00 10.54 O ATOM 1891 CB GLU B 2 36.093 27.271 17.916 1.00 12.32 C ATOM 1892 CG GLU B 2 35.915 27.235 16.396 1.00 11.48 C ATOM 1893 CD GLU B 2 34.534 27.706 15.944 1.00 12.51 C ATOM 1894 OE1 GLU B 2 34.029 28.706 16.486 1.00 13.97 O ATOM 1895 OE2 GLU B 2 33.957 27.068 15.041 1.00 11.01 O ATOM 1896 HA GLU B 2 37.726 25.890 18.188 1.00 0.00 H ATOM 1897 HB2 GLU B 2 35.399 26.554 18.355 1.00 0.00 H ATOM 1898 HB3 GLU B 2 35.845 28.274 18.262 1.00 0.00 H ATOM 1899 HG2 GLU B 2 36.668 27.880 15.943 1.00 0.00 H ATOM 1900 HG3 GLU B 2 36.062 26.211 16.053 1.00 0.00 H ATOM 1901 H GLU B 2 36.684 27.330 20.372 1.00 0.00 H ATOM 1902 N SER B 3 39.289 27.255 16.771 1.00 9.81 N ATOM 1903 CA SER B 3 40.326 28.028 16.103 1.00 9.60 C ATOM 1904 C SER B 3 39.663 29.023 15.142 1.00 9.48 C ATOM 1905 O SER B 3 38.535 28.816 14.704 1.00 9.33 O ATOM 1906 CB SER B 3 41.307 27.130 15.338 1.00 10.18 C ATOM 1907 OG SER B 3 40.712 26.643 14.140 1.00 9.85 O ATOM 1908 HA SER B 3 40.901 28.560 16.861 1.00 0.00 H ATOM 1909 HB2 SER B 3 41.586 26.286 15.968 1.00 0.00 H ATOM 1910 HB3 SER B 3 42.198 27.705 15.087 1.00 0.00 H ATOM 1911 HG SER B 3 41.360 26.067 13.662 1.00 0.00 H ATOM 1912 H SER B 3 39.144 26.256 16.520 1.00 0.00 H ATOM 1913 N ALA B 4 40.364 30.109 14.832 1.00 9.57 N ATOM 1914 CA ALA B 4 39.857 31.076 13.843 1.00 9.21 C ATOM 1915 C ALA B 4 39.598 30.434 12.472 1.00 9.21 C ATOM 1916 O ALA B 4 38.616 30.765 11.776 1.00 9.85 O ATOM 1917 CB ALA B 4 40.827 32.255 13.719 1.00 9.99 C ATOM 1918 HA ALA B 4 38.894 31.439 14.203 1.00 0.00 H ATOM 1919 HB1 ALA B 4 40.924 32.748 14.687 1.00 0.00 H ATOM 1920 HB2 ALA B 4 41.802 31.889 13.397 1.00 0.00 H ATOM 1921 HB3 ALA B 4 40.443 32.964 12.986 1.00 0.00 H ATOM 1922 H ALA B 4 41.281 30.278 15.293 1.00 0.00 H ATOM 1923 N ALA B 5 40.483 29.519 12.089 1.00 8.70 N ATOM 1924 CA ALA B 5 40.345 28.778 10.840 1.00 7.54 C ATOM 1925 C ALA B 5 39.065 27.956 10.843 1.00 7.75 C ATOM 1926 O ALA B 5 38.298 27.998 9.881 1.00 7.73 O ATOM 1927 CB ALA B 5 41.557 27.900 10.589 1.00 7.23 C ATOM 1928 HA ALA B 5 40.284 29.498 10.024 1.00 0.00 H ATOM 1929 HB1 ALA B 5 42.449 28.523 10.529 1.00 0.00 H ATOM 1930 HB2 ALA B 5 41.664 27.188 11.407 1.00 0.00 H ATOM 1931 HB3 ALA B 5 41.425 27.360 9.651 1.00 0.00 H ATOM 1932 H ALA B 5 41.302 29.325 12.701 1.00 0.00 H ATOM 1933 N ALA B 6 38.818 27.269 11.959 1.00 7.66 N ATOM 1934 CA ALA B 6 37.622 26.447 12.139 1.00 8.20 C ATOM 1935 C ALA B 6 36.362 27.307 12.164 1.00 8.62 C ATOM 1936 O ALA B 6 35.343 26.927 11.605 1.00 8.29 O ATOM 1937 CB ALA B 6 37.720 25.585 13.423 1.00 9.04 C ATOM 1938 HA ALA B 6 37.557 25.773 11.285 1.00 0.00 H ATOM 1939 HB1 ALA B 6 38.586 24.927 13.352 1.00 0.00 H ATOM 1940 HB2 ALA B 6 37.827 26.237 14.290 1.00 0.00 H ATOM 1941 HB3 ALA B 6 36.815 24.986 13.527 1.00 0.00 H ATOM 1942 H ALA B 6 39.507 27.320 12.736 1.00 0.00 H ATOM 1943 N LYS B 7 36.436 28.448 12.835 1.00 9.43 N ATOM 1944 CA LYS B 7 35.319 29.387 12.867 1.00 9.67 C ATOM 1945 C LYS B 7 34.990 29.880 11.460 1.00 9.26 C ATOM 1946 O LYS B 7 33.812 29.959 11.083 1.00 8.60 O ATOM 1947 CB LYS B 7 35.630 30.557 13.793 1.00 10.43 C ATOM 1948 CG LYS B 7 34.542 31.613 13.826 1.00 11.97 C ATOM 1949 CD LYS B 7 34.810 32.640 14.926 1.00 16.16 C ATOM 1950 CE LYS B 7 33.665 33.639 15.033 1.00 16.29 C ATOM 1951 NZ LYS B 7 33.851 34.519 16.234 1.00 19.10 N ATOM 1952 HA LYS B 7 34.444 28.868 13.257 1.00 0.00 H ATOM 1953 HB2 LYS B 7 35.766 30.170 14.803 1.00 0.00 H ATOM 1954 HB3 LYS B 7 36.555 31.026 13.457 1.00 0.00 H ATOM 1955 HG2 LYS B 7 34.509 32.122 12.863 1.00 0.00 H ATOM 1956 HG3 LYS B 7 33.582 31.131 14.014 1.00 0.00 H ATOM 1957 HD2 LYS B 7 34.921 32.122 15.878 1.00 0.00 H ATOM 1958 HD3 LYS B 7 35.731 33.176 14.696 1.00 0.00 H ATOM 1959 HE2 LYS B 7 32.723 33.098 15.126 1.00 0.00 H ATOM 1960 HE3 LYS B 7 33.641 34.256 14.135 1.00 0.00 H ATOM 1961 HZ1 LYS B 7 33.871 33.932 17.092 1.00 0.00 H ATOM 1962 HZ2 LYS B 7 34.748 35.038 16.146 1.00 0.00 H ATOM 1963 HZ3 LYS B 7 33.062 35.194 16.293 1.00 0.00 H ATOM 1964 H LYS B 7 37.309 28.679 13.350 1.00 0.00 H ATOM 1965 N PHE B 8 36.019 30.212 10.672 1.00 7.89 N ATOM 1966 CA PHE B 8 35.772 30.631 9.309 1.00 7.51 C ATOM 1967 C PHE B 8 35.065 29.520 8.520 1.00 7.47 C ATOM 1968 O PHE B 8 34.116 29.798 7.769 1.00 6.99 O ATOM 1969 CB PHE B 8 37.053 31.026 8.587 1.00 7.72 C ATOM 1970 CG PHE B 8 36.815 31.462 7.164 1.00 6.92 C ATOM 1971 CD1 PHE B 8 36.772 30.518 6.141 1.00 7.36 C ATOM 1972 CD2 PHE B 8 36.599 32.816 6.860 1.00 7.70 C ATOM 1973 CE1 PHE B 8 36.528 30.914 4.815 1.00 8.56 C ATOM 1974 CE2 PHE B 8 36.360 33.238 5.549 1.00 9.26 C ATOM 1975 CZ PHE B 8 36.321 32.285 4.511 1.00 8.83 C ATOM 1976 HA PHE B 8 35.129 31.510 9.363 1.00 0.00 H ATOM 1977 HB2 PHE B 8 37.519 31.849 9.130 1.00 0.00 H ATOM 1978 HB3 PHE B 8 37.727 30.169 8.580 1.00 0.00 H ATOM 1979 HD2 PHE B 8 36.618 33.553 7.663 1.00 0.00 H ATOM 1980 HE2 PHE B 8 36.205 34.295 5.331 1.00 0.00 H ATOM 1981 HZ PHE B 8 36.134 32.598 3.484 1.00 0.00 H ATOM 1982 HE1 PHE B 8 36.498 30.169 4.020 1.00 0.00 H ATOM 1983 HD1 PHE B 8 36.929 29.464 6.371 1.00 0.00 H ATOM 1984 H PHE B 8 36.992 30.169 11.037 1.00 0.00 H ATOM 1985 N GLU B 9 35.516 28.275 8.685 1.00 7.65 N ATOM 1986 CA GLU B 9 34.889 27.184 7.924 1.00 8.06 C ATOM 1987 C GLU B 9 33.437 26.997 8.345 1.00 8.15 C ATOM 1988 O GLU B 9 32.566 26.766 7.503 1.00 8.39 O ATOM 1989 CB GLU B 9 35.640 25.875 8.076 1.00 7.90 C ATOM 1990 CG GLU B 9 37.019 25.904 7.491 1.00 7.30 C ATOM 1991 CD GLU B 9 37.704 24.546 7.523 1.00 11.56 C ATOM 1992 OE1 GLU B 9 37.020 23.495 7.374 1.00 13.41 O ATOM 1993 OE2 GLU B 9 38.937 24.528 7.692 1.00 10.91 O ATOM 1994 HA GLU B 9 34.926 27.471 6.873 1.00 0.00 H ATOM 1995 HB2 GLU B 9 35.721 25.645 9.138 1.00 0.00 H ATOM 1996 HB3 GLU B 9 35.070 25.091 7.578 1.00 0.00 H ATOM 1997 HG2 GLU B 9 36.951 26.235 6.455 1.00 0.00 H ATOM 1998 HG3 GLU B 9 37.623 26.612 8.058 1.00 0.00 H ATOM 1999 H GLU B 9 36.299 28.079 9.341 1.00 0.00 H ATOM 2000 N ARG B 10 33.187 27.075 9.652 1.00 8.36 N ATOM 2001 CA ARG B 10 31.816 26.965 10.177 1.00 8.39 C ATOM 2002 C ARG B 10 30.891 28.072 9.679 1.00 8.71 C ATOM 2003 O ARG B 10 29.746 27.826 9.263 1.00 9.16 O ATOM 2004 CB ARG B 10 31.840 26.956 11.705 1.00 8.55 C ATOM 2005 CG ARG B 10 30.439 26.963 12.326 1.00 8.91 C ATOM 2006 CD ARG B 10 30.517 26.845 13.852 1.00 8.55 C ATOM 2007 NE ARG B 10 31.314 27.916 14.466 1.00 8.72 N ATOM 2008 CZ ARG B 10 30.866 29.135 14.756 1.00 10.49 C ATOM 2009 NH1 ARG B 10 29.617 29.494 14.470 1.00 8.77 N ATOM 2010 NH2 ARG B 10 31.680 30.014 15.343 1.00 10.76 N ATOM 2011 HA ARG B 10 31.412 26.025 9.802 1.00 0.00 H ATOM 2012 HB2 ARG B 10 32.364 26.060 12.039 1.00 0.00 H ATOM 2013 HB3 ARG B 10 32.377 27.840 12.049 1.00 0.00 H ATOM 2014 HG2 ARG B 10 29.937 27.895 12.065 1.00 0.00 H ATOM 2015 HG3 ARG B 10 29.869 26.122 11.931 1.00 0.00 H ATOM 2016 HD2 ARG B 10 30.969 25.886 14.105 1.00 0.00 H ATOM 2017 HD3 ARG B 10 29.506 26.887 14.257 1.00 0.00 H ATOM 2018 HE ARG B 10 32.307 27.705 14.692 1.00 0.00 H ATOM 2019 HH12 ARG B 10 29.285 30.451 14.704 1.00 0.00 H ATOM 2020 HH11 ARG B 10 28.973 28.817 14.012 1.00 0.00 H ATOM 2021 HH22 ARG B 10 31.336 30.968 15.572 1.00 0.00 H ATOM 2022 HH21 ARG B 10 32.658 29.745 15.571 1.00 0.00 H ATOM 2023 H ARG B 10 33.976 27.216 10.314 1.00 0.00 H ATOM 2024 N GLN B 11 31.386 29.301 9.727 1.00 8.03 N ATOM 2025 CA GLN B 11 30.554 30.435 9.390 1.00 7.53 C ATOM 2026 C GLN B 11 30.389 30.631 7.891 1.00 7.82 C ATOM 2027 O GLN B 11 29.362 31.175 7.468 1.00 8.05 O ATOM 2028 CB GLN B 11 31.136 31.716 9.973 1.00 6.93 C ATOM 2029 CG GLN B 11 31.106 31.772 11.490 1.00 7.78 C ATOM 2030 CD GLN B 11 31.311 33.198 11.989 1.00 11.02 C ATOM 2031 OE1 GLN B 11 32.285 33.865 11.625 1.00 14.04 O ATOM 2032 NE2 GLN B 11 30.374 33.685 12.778 1.00 13.54 N ATOM 2033 HA GLN B 11 29.574 30.220 9.817 1.00 0.00 H ATOM 2034 HB2 GLN B 11 32.172 31.802 9.647 1.00 0.00 H ATOM 2035 HB3 GLN B 11 30.564 32.560 9.587 1.00 0.00 H ATOM 2036 HG2 GLN B 11 30.141 31.406 11.841 1.00 0.00 H ATOM 2037 HG3 GLN B 11 31.899 31.138 11.886 1.00 0.00 H ATOM 2038 HE22 GLN B 11 29.570 33.089 13.060 1.00 0.00 H ATOM 2039 HE21 GLN B 11 30.438 34.666 13.118 1.00 0.00 H ATOM 2040 H GLN B 11 32.376 29.450 10.008 1.00 0.00 H ATOM 2041 N HIS B 12 31.396 30.239 7.096 1.00 7.65 N ATOM 2042 CA HIS B 12 31.458 30.741 5.708 1.00 7.91 C ATOM 2043 C HIS B 12 31.645 29.715 4.615 1.00 8.82 C ATOM 2044 O HIS B 12 31.593 30.072 3.444 1.00 9.25 O ATOM 2045 CB HIS B 12 32.551 31.806 5.572 1.00 8.58 C ATOM 2046 CG HIS B 12 32.376 32.963 6.508 1.00 6.82 C ATOM 2047 ND1 HIS B 12 31.303 33.826 6.428 1.00 7.42 N ATOM 2048 CD2 HIS B 12 33.126 33.379 7.560 1.00 8.36 C ATOM 2049 CE1 HIS B 12 31.425 34.755 7.368 1.00 8.25 C ATOM 2050 NE2 HIS B 12 32.520 34.502 8.068 1.00 6.49 N ATOM 2051 HA HIS B 12 30.459 31.148 5.548 1.00 0.00 H ATOM 2052 HB2 HIS B 12 33.515 31.340 5.775 1.00 0.00 H ATOM 2053 HB3 HIS B 12 32.540 32.184 4.550 1.00 0.00 H ATOM 2054 HD2 HIS B 12 34.037 32.910 7.932 1.00 0.00 H ATOM 2055 HE1 HIS B 12 30.740 35.586 7.535 1.00 0.00 H ATOM 2056 H HIS B 12 32.125 29.589 7.453 1.00 0.00 H ATOM 2057 N MET B 13 31.897 28.469 4.984 1.00 8.29 N ATOM 2058 CA MET B 13 32.136 27.436 3.973 1.00 8.36 C ATOM 2059 C MET B 13 30.964 26.479 3.799 1.00 8.54 C ATOM 2060 O MET B 13 30.494 25.863 4.757 1.00 9.47 O ATOM 2061 CB MET B 13 33.416 26.652 4.269 1.00 9.18 C ATOM 2062 CG MET B 13 34.718 27.480 4.097 1.00 9.31 C ATOM 2063 SD MET B 13 34.988 28.147 2.457 1.00 10.32 S ATOM 2064 CE MET B 13 34.813 26.676 1.435 1.00 12.07 C ATOM 2065 HA MET B 13 32.254 27.970 3.030 1.00 0.00 H ATOM 2066 HB2 MET B 13 33.370 26.295 5.298 1.00 0.00 H ATOM 2067 HB3 MET B 13 33.460 25.799 3.592 1.00 0.00 H ATOM 2068 HG2 MET B 13 35.562 26.836 4.342 1.00 0.00 H ATOM 2069 HG3 MET B 13 34.683 28.314 4.799 1.00 0.00 H ATOM 2070 HE1 MET B 13 35.561 25.940 1.729 1.00 0.00 H ATOM 2071 HE2 MET B 13 33.816 26.257 1.571 1.00 0.00 H ATOM 2072 HE3 MET B 13 34.957 26.943 0.388 1.00 0.00 H ATOM 2073 H MET B 13 31.925 28.223 5.994 1.00 0.00 H ATOM 2074 N ASP B 14 30.517 26.342 2.552 1.00 8.40 N ATOM 2075 CA ASP B 14 29.582 25.257 2.207 1.00 8.69 C ATOM 2076 C ASP B 14 29.900 24.633 0.843 1.00 8.87 C ATOM 2077 O ASP B 14 29.186 24.845 -0.146 1.00 8.87 O ATOM 2078 CB ASP B 14 28.126 25.744 2.258 1.00 8.25 C ATOM 2079 CG ASP B 14 27.134 24.583 2.200 1.00 8.43 C ATOM 2080 OD1 ASP B 14 27.583 23.417 2.337 1.00 9.52 O ATOM 2081 OD2 ASP B 14 25.923 24.815 2.002 1.00 8.91 O ATOM 2082 HA ASP B 14 29.710 24.477 2.958 1.00 0.00 H ATOM 2083 HB2 ASP B 14 27.971 26.295 3.186 1.00 0.00 H ATOM 2084 HB3 ASP B 14 27.945 26.405 1.410 1.00 0.00 H ATOM 2085 H ASP B 14 30.830 27.006 1.816 1.00 0.00 H ATOM 2086 N SER B 15 30.984 23.861 0.819 1.00 9.35 N ATOM 2087 CA SER B 15 31.557 23.272 -0.408 1.00 11.40 C ATOM 2088 C SER B 15 30.864 22.215 -1.367 1.00 11.60 C ATOM 2089 O SER B 15 30.835 22.461 -2.549 1.00 13.38 O ATOM 2090 CB SER B 15 33.008 22.832 -0.124 1.00 10.54 C ATOM 2091 OG SER B 15 33.768 23.907 0.423 1.00 13.40 O ATOM 2092 HA SER B 15 31.376 24.135 -1.049 1.00 0.00 H ATOM 2093 HB2 SER B 15 33.471 22.505 -1.055 1.00 0.00 H ATOM 2094 HB3 SER B 15 32.998 22.005 0.585 1.00 0.00 H ATOM 2095 HG SER B 15 33.783 24.660 -0.220 1.00 0.00 H ATOM 2096 H SER B 15 31.458 23.660 1.723 1.00 0.00 H ATOM 2097 N GLY B 16 30.314 21.051 -1.014 1.00 14.96 N ATOM 2098 CA GLY B 16 29.473 20.658 0.073 1.00 12.55 C ATOM 2099 C GLY B 16 28.112 20.512 -0.622 1.00 11.35 C ATOM 2100 O GLY B 16 27.654 19.410 -1.033 1.00 10.43 O ATOM 2101 HA3 GLY B 16 29.443 21.423 0.849 1.00 0.00 H ATOM 2102 HA2 GLY B 16 29.801 19.714 0.508 1.00 0.00 H ATOM 2103 H GLY B 16 30.544 20.271 -1.662 1.00 0.00 H ATOM 2104 N ASN B 17 27.475 21.662 -0.784 1.00 10.63 N ATOM 2105 CA ASN B 17 26.044 21.731 -1.079 1.00 10.78 C ATOM 2106 C ASN B 17 25.735 23.002 -1.841 1.00 11.87 C ATOM 2107 O ASN B 17 26.585 23.871 -1.953 1.00 11.92 O ATOM 2108 CB ASN B 17 25.272 21.781 0.239 1.00 10.14 C ATOM 2109 CG ASN B 17 25.521 20.569 1.102 1.00 10.33 C ATOM 2110 OD1 ASN B 17 24.919 19.505 0.897 1.00 9.50 O ATOM 2111 ND2 ASN B 17 26.421 20.717 2.080 1.00 12.07 N ATOM 2112 HA ASN B 17 25.760 20.861 -1.670 1.00 0.00 H ATOM 2113 HB2 ASN B 17 25.577 22.671 0.789 1.00 0.00 H ATOM 2114 HB3 ASN B 17 24.206 21.840 0.018 1.00 0.00 H ATOM 2115 HD22 ASN B 17 26.900 21.631 2.212 1.00 0.00 H ATOM 2116 HD21 ASN B 17 26.642 19.918 2.709 1.00 0.00 H ATOM 2117 H ASN B 17 28.012 22.548 -0.698 1.00 0.00 H ATOM 2118 N SER B 18 24.517 23.114 -2.358 1.00 13.50 N ATOM 2119 CA SER B 18 24.022 24.404 -2.838 1.00 15.02 C ATOM 2120 C SER B 18 22.661 24.682 -2.214 1.00 14.82 C ATOM 2121 O SER B 18 21.959 23.718 -1.819 1.00 13.19 O ATOM 2122 CB SER B 18 23.933 24.440 -4.372 1.00 15.17 C ATOM 2123 OG SER B 18 22.714 23.902 -4.887 1.00 15.71 O ATOM 2124 HA SER B 18 24.726 25.180 -2.539 1.00 0.00 H ATOM 2125 HB2 SER B 18 24.764 23.864 -4.779 1.00 0.00 H ATOM 2126 HB3 SER B 18 24.017 25.477 -4.698 1.00 0.00 H ATOM 2127 HG SER B 18 22.628 22.956 -4.607 1.00 0.00 H ATOM 2128 H SER B 18 23.907 22.274 -2.422 1.00 0.00 H ATOM 2129 N PRO B 19 22.278 25.981 -2.124 1.00 15.30 N ATOM 2130 CA PRO B 19 20.969 26.357 -1.615 1.00 16.30 C ATOM 2131 C PRO B 19 19.850 25.771 -2.430 1.00 16.39 C ATOM 2132 O PRO B 19 18.756 25.584 -1.904 1.00 17.12 O ATOM 2133 CB PRO B 19 20.948 27.886 -1.780 1.00 16.66 C ATOM 2134 CG PRO B 19 22.332 28.272 -1.799 1.00 15.70 C ATOM 2135 CD PRO B 19 23.056 27.182 -2.500 1.00 15.75 C ATOM 2136 HA PRO B 19 20.824 26.004 -0.594 1.00 0.00 H ATOM 2137 HD3 PRO B 19 23.047 27.334 -3.579 1.00 0.00 H ATOM 2138 HD2 PRO B 19 24.087 27.108 -2.153 1.00 0.00 H ATOM 2139 HG3 PRO B 19 22.708 28.383 -0.782 1.00 0.00 H ATOM 2140 HG2 PRO B 19 22.455 29.213 -2.335 1.00 0.00 H ATOM 2141 HB2 PRO B 19 20.458 28.165 -2.713 1.00 0.00 H ATOM 2142 HB3 PRO B 19 20.429 28.356 -0.944 1.00 0.00 H ATOM 2143 N SER B 20 20.110 25.469 -3.704 1.00 16.57 N ATOM 2144 CA SER B 20 19.022 25.076 -4.589 1.00 17.53 C ATOM 2145 C SER B 20 18.620 23.615 -4.397 1.00 17.98 C ATOM 2146 O SER B 20 17.653 23.149 -5.007 1.00 18.82 O ATOM 2147 CB SER B 20 19.334 25.398 -6.052 1.00 17.39 C ATOM 2148 OG SER B 20 20.245 24.465 -6.584 1.00 18.48 O ATOM 2149 HA SER B 20 18.156 25.676 -4.308 1.00 0.00 H ATOM 2150 HB2 SER B 20 19.767 26.397 -6.114 1.00 0.00 H ATOM 2151 HB3 SER B 20 18.411 25.367 -6.630 1.00 0.00 H ATOM 2152 HG SER B 20 21.086 24.493 -6.063 1.00 0.00 H ATOM 2153 H SER B 20 21.085 25.514 -4.063 1.00 0.00 H ATOM 2154 N SER B 21 19.331 22.896 -3.531 1.00 18.28 N ATOM 2155 CA SER B 21 18.886 21.545 -3.193 1.00 19.52 C ATOM 2156 C SER B 21 17.595 21.524 -2.379 1.00 19.51 C ATOM 2157 O SER B 21 17.333 22.427 -1.571 1.00 20.73 O ATOM 2158 CB SER B 21 19.940 20.787 -2.414 1.00 18.88 C ATOM 2159 OG SER B 21 19.438 19.489 -2.139 1.00 20.02 O ATOM 2160 HA SER B 21 18.704 21.063 -4.154 1.00 0.00 H ATOM 2161 HB2 SER B 21 20.154 21.306 -1.480 1.00 0.00 H ATOM 2162 HB3 SER B 21 20.853 20.713 -3.004 1.00 0.00 H ATOM 2163 HG SER B 21 20.114 18.976 -1.629 1.00 0.00 H ATOM 2164 H SER B 21 20.192 23.290 -3.101 1.00 0.00 H ATOM 2165 N SER B 22 16.797 20.486 -2.606 1.00 19.91 N ATOM 2166 CA SER B 22 15.651 20.175 -1.766 1.00 19.33 C ATOM 2167 C SER B 22 16.024 19.029 -0.815 1.00 18.85 C ATOM 2168 O SER B 22 15.363 18.825 0.211 1.00 19.47 O ATOM 2169 CB SER B 22 14.461 19.759 -2.626 1.00 19.96 C ATOM 2170 OG SER B 22 14.171 20.730 -3.616 1.00 21.89 O ATOM 2171 HA SER B 22 15.375 21.060 -1.193 1.00 0.00 H ATOM 2172 HB2 SER B 22 13.588 19.634 -1.986 1.00 0.00 H ATOM 2173 HB3 SER B 22 14.691 18.812 -3.115 1.00 0.00 H ATOM 2174 HG SER B 22 13.396 20.430 -4.154 1.00 0.00 H ATOM 2175 H SER B 22 17.000 19.870 -3.419 1.00 0.00 H ATOM 2176 N SER B 23 17.086 18.294 -1.158 1.00 16.99 N ATOM 2177 CA SER B 23 17.414 17.026 -0.490 1.00 15.60 C ATOM 2178 C SER B 23 18.372 17.181 0.689 1.00 14.68 C ATOM 2179 O SER B 23 18.661 16.218 1.405 1.00 14.00 O ATOM 2180 CB SER B 23 17.950 16.001 -1.509 1.00 15.99 C ATOM 2181 OG SER B 23 19.184 16.422 -2.057 1.00 16.39 O ATOM 2182 HA SER B 23 16.482 16.655 -0.064 1.00 0.00 H ATOM 2183 HB2 SER B 23 17.224 15.886 -2.314 1.00 0.00 H ATOM 2184 HB3 SER B 23 18.091 15.043 -1.009 1.00 0.00 H ATOM 2185 HG SER B 23 19.061 17.290 -2.517 1.00 0.00 H ATOM 2186 H SER B 23 17.702 18.631 -1.925 1.00 0.00 H ATOM 2187 N ASN B 24 18.867 18.402 0.888 1.00 13.48 N ATOM 2188 CA ASN B 24 19.771 18.708 1.991 1.00 12.99 C ATOM 2189 C ASN B 24 19.000 19.132 3.240 1.00 12.47 C ATOM 2190 O ASN B 24 19.601 19.389 4.288 1.00 12.99 O ATOM 2191 CB ASN B 24 20.717 19.835 1.562 1.00 12.74 C ATOM 2192 CG ASN B 24 21.942 19.980 2.470 1.00 13.78 C ATOM 2193 OD1 ASN B 24 22.449 19.015 3.047 1.00 13.10 O ATOM 2194 ND2 ASN B 24 22.439 21.199 2.569 1.00 14.89 N ATOM 2195 HA ASN B 24 20.338 17.810 2.235 1.00 0.00 H ATOM 2196 HB2 ASN B 24 21.061 19.631 0.548 1.00 0.00 H ATOM 2197 HB3 ASN B 24 20.164 20.774 1.575 1.00 0.00 H ATOM 2198 HD22 ASN B 24 21.984 21.988 2.068 1.00 0.00 H ATOM 2199 HD21 ASN B 24 23.286 21.370 3.148 1.00 0.00 H ATOM 2200 H ASN B 24 18.599 19.164 0.233 1.00 0.00 H ATOM 2201 N TYR B 25 17.674 19.193 3.133 1.00 11.88 N ATOM 2202 CA TYR B 25 16.822 19.681 4.245 1.00 12.07 C ATOM 2203 C TYR B 25 17.124 18.978 5.561 1.00 12.38 C ATOM 2204 O TYR B 25 17.380 19.630 6.584 1.00 13.41 O ATOM 2205 CB TYR B 25 15.332 19.498 3.907 1.00 11.68 C ATOM 2206 CG TYR B 25 14.409 19.816 5.065 1.00 10.72 C ATOM 2207 CD1 TYR B 25 14.000 21.117 5.335 1.00 10.68 C ATOM 2208 CD2 TYR B 25 13.942 18.793 5.896 1.00 11.83 C ATOM 2209 CE1 TYR B 25 13.132 21.392 6.409 1.00 9.49 C ATOM 2210 CE2 TYR B 25 13.104 19.058 6.967 1.00 11.55 C ATOM 2211 CZ TYR B 25 12.693 20.346 7.210 1.00 10.15 C ATOM 2212 OH TYR B 25 11.849 20.612 8.262 1.00 12.59 O ATOM 2213 HA TYR B 25 17.050 20.740 4.367 1.00 0.00 H ATOM 2214 HB3 TYR B 25 15.170 18.462 3.610 1.00 0.00 H ATOM 2215 HB2 TYR B 25 15.083 20.157 3.075 1.00 0.00 H ATOM 2216 HD2 TYR B 25 14.244 17.765 5.697 1.00 0.00 H ATOM 2217 HE2 TYR B 25 12.772 18.247 7.615 1.00 0.00 H ATOM 2218 HE1 TYR B 25 12.809 22.413 6.609 1.00 0.00 H ATOM 2219 HD1 TYR B 25 14.356 21.934 4.708 1.00 0.00 H ATOM 2220 HH TYR B 25 11.656 21.583 8.291 1.00 0.00 H ATOM 2221 H TYR B 25 17.224 18.890 2.246 1.00 0.00 H ATOM 2222 N CYS B 26 17.088 17.652 5.541 1.00 12.73 N ATOM 2223 CA CYS B 26 17.289 16.914 6.785 1.00 12.45 C ATOM 2224 C CYS B 26 18.682 17.141 7.356 1.00 12.92 C ATOM 2225 O CYS B 26 18.843 17.277 8.567 1.00 12.65 O ATOM 2226 CB CYS B 26 17.019 15.425 6.573 1.00 13.41 C ATOM 2227 SG CYS B 26 15.287 15.066 6.436 1.00 13.27 S ATOM 2228 HA CYS B 26 16.576 17.294 7.516 1.00 0.00 H ATOM 2229 HB2 CYS B 26 17.426 14.871 7.419 1.00 0.00 H ATOM 2230 HB3 CYS B 26 17.517 15.105 5.658 1.00 0.00 H ATOM 2231 H CYS B 26 16.919 17.144 4.650 1.00 0.00 H ATOM 2232 N ASN B 27 19.696 17.189 6.494 1.00 13.02 N ATOM 2233 CA ASN B 27 21.050 17.455 6.973 1.00 13.83 C ATOM 2234 C ASN B 27 21.135 18.728 7.782 1.00 14.28 C ATOM 2235 O ASN B 27 21.767 18.758 8.845 1.00 15.33 O ATOM 2236 CB ASN B 27 22.039 17.510 5.816 1.00 13.90 C ATOM 2237 CG ASN B 27 22.241 16.165 5.186 1.00 14.39 C ATOM 2238 OD1 ASN B 27 22.083 15.131 5.837 1.00 15.44 O ATOM 2239 ND2 ASN B 27 22.607 16.160 3.911 1.00 14.18 N ATOM 2240 HA ASN B 27 21.313 16.626 7.630 1.00 0.00 H ATOM 2241 HB2 ASN B 27 21.660 18.199 5.061 1.00 0.00 H ATOM 2242 HB3 ASN B 27 22.997 17.872 6.189 1.00 0.00 H ATOM 2243 HD22 ASN B 27 22.728 17.058 3.401 1.00 0.00 H ATOM 2244 HD21 ASN B 27 22.773 15.258 3.421 1.00 0.00 H ATOM 2245 H ASN B 27 19.524 17.037 5.480 1.00 0.00 H ATOM 2246 N LEU B 28 20.502 19.777 7.272 1.00 13.57 N ATOM 2247 CA LEU B 28 20.555 21.068 7.926 1.00 13.51 C ATOM 2248 C LEU B 28 19.634 21.130 9.132 1.00 13.27 C ATOM 2249 O LEU B 28 20.004 21.707 10.164 1.00 13.72 O ATOM 2250 CB LEU B 28 20.208 22.177 6.937 1.00 13.35 C ATOM 2251 CG LEU B 28 21.222 22.235 5.777 1.00 13.69 C ATOM 2252 CD1 LEU B 28 20.960 23.490 4.958 1.00 14.70 C ATOM 2253 CD2 LEU B 28 22.679 22.199 6.251 1.00 15.45 C ATOM 2254 HA LEU B 28 21.574 21.213 8.284 1.00 0.00 H ATOM 2255 HB2 LEU B 28 19.214 21.991 6.530 1.00 0.00 H ATOM 2256 HB3 LEU B 28 20.212 23.133 7.460 1.00 0.00 H ATOM 2257 HG LEU B 28 21.081 21.343 5.166 1.00 0.00 H ATOM 2258 HD21 LEU B 28 22.870 23.053 6.901 1.00 0.00 H ATOM 2259 HD22 LEU B 28 22.858 21.275 6.801 1.00 0.00 H ATOM 2260 HD23 LEU B 28 23.342 22.243 5.387 1.00 0.00 H ATOM 2261 HD11 LEU B 28 19.945 23.458 4.561 1.00 0.00 H ATOM 2262 HD12 LEU B 28 21.075 24.368 5.594 1.00 0.00 H ATOM 2263 HD13 LEU B 28 21.672 23.540 4.135 1.00 0.00 H ATOM 2264 H LEU B 28 19.960 19.670 6.391 1.00 0.00 H ATOM 2265 N MET B 29 18.438 20.557 9.006 1.00 13.45 N ATOM 2266 CA MET B 29 17.452 20.645 10.090 1.00 13.58 C ATOM 2267 C MET B 29 17.821 19.799 11.308 1.00 12.88 C ATOM 2268 O MET B 29 17.626 20.234 12.465 1.00 12.64 O ATOM 2269 CB MET B 29 16.046 20.294 9.590 1.00 13.82 C ATOM 2270 CG MET B 29 15.196 21.502 9.262 1.00 19.80 C ATOM 2271 SD MET B 29 15.041 22.673 10.632 1.00 18.79 S ATOM 2272 CE MET B 29 13.457 22.207 11.313 1.00 23.17 C ATOM 2273 HA MET B 29 17.457 21.684 10.420 1.00 0.00 H ATOM 2274 HB2 MET B 29 16.143 19.687 8.690 1.00 0.00 H ATOM 2275 HB3 MET B 29 15.540 19.717 10.364 1.00 0.00 H ATOM 2276 HG2 MET B 29 14.199 21.158 8.988 1.00 0.00 H ATOM 2277 HG3 MET B 29 15.645 22.020 8.415 1.00 0.00 H ATOM 2278 HE1 MET B 29 12.686 22.327 10.552 1.00 0.00 H ATOM 2279 HE2 MET B 29 13.493 21.166 11.635 1.00 0.00 H ATOM 2280 HE3 MET B 29 13.228 22.845 12.167 1.00 0.00 H ATOM 2281 H MET B 29 18.201 20.044 8.133 1.00 0.00 H ATOM 2282 N MET B 30 18.363 18.607 11.064 1.00 12.49 N ATOM 2283 CA MET B 30 18.814 17.776 12.177 1.00 12.17 C ATOM 2284 C MET B 30 19.931 18.479 12.947 1.00 12.40 C ATOM 2285 O MET B 30 20.006 18.410 14.172 1.00 13.31 O ATOM 2286 CB MET B 30 19.249 16.381 11.695 1.00 11.81 C ATOM 2287 CG MET B 30 18.112 15.548 11.111 1.00 12.62 C ATOM 2288 SD MET B 30 16.831 15.150 12.327 1.00 12.13 S ATOM 2289 CE MET B 30 17.655 13.826 13.239 1.00 11.24 C ATOM 2290 HA MET B 30 17.975 17.630 12.857 1.00 0.00 H ATOM 2291 HB2 MET B 30 20.013 16.505 10.928 1.00 0.00 H ATOM 2292 HB3 MET B 30 19.671 15.841 12.542 1.00 0.00 H ATOM 2293 HG2 MET B 30 18.526 14.617 10.725 1.00 0.00 H ATOM 2294 HG3 MET B 30 17.655 16.107 10.295 1.00 0.00 H ATOM 2295 HE1 MET B 30 17.887 13.007 12.558 1.00 0.00 H ATOM 2296 HE2 MET B 30 18.577 14.208 13.678 1.00 0.00 H ATOM 2297 HE3 MET B 30 16.996 13.467 14.030 1.00 0.00 H ATOM 2298 H MET B 30 18.465 18.270 10.085 1.00 0.00 H ATOM 2299 N CYS B 31 20.796 19.166 12.206 1.00 11.88 N ATOM 2300 CA CYS B 31 21.850 19.957 12.812 1.00 11.51 C ATOM 2301 C CYS B 31 21.261 21.168 13.551 1.00 10.27 C ATOM 2302 O CYS B 31 21.561 21.403 14.734 1.00 11.00 O ATOM 2303 CB CYS B 31 22.816 20.388 11.709 1.00 11.43 C ATOM 2304 SG CYS B 31 23.975 21.650 12.218 1.00 12.11 S ATOM 2305 HA CYS B 31 22.388 19.366 13.553 1.00 0.00 H ATOM 2306 HB2 CYS B 31 22.233 20.773 10.873 1.00 0.00 H ATOM 2307 HB3 CYS B 31 23.380 19.514 11.385 1.00 0.00 H ATOM 2308 H CYS B 31 20.715 19.135 11.170 1.00 0.00 H ATOM 2309 N CYS B 32 20.407 21.929 12.867 1.00 8.01 N ATOM 2310 CA CYS B 32 19.787 23.100 13.465 1.00 6.92 C ATOM 2311 C CYS B 32 19.091 22.782 14.796 1.00 6.94 C ATOM 2312 O CYS B 32 19.265 23.505 15.778 1.00 6.93 O ATOM 2313 CB CYS B 32 18.801 23.709 12.472 1.00 6.83 C ATOM 2314 SG CYS B 32 17.731 24.927 13.196 1.00 7.15 S ATOM 2315 HA CYS B 32 20.575 23.818 13.693 1.00 0.00 H ATOM 2316 HB2 CYS B 32 18.186 22.909 12.061 1.00 0.00 H ATOM 2317 HB3 CYS B 32 19.367 24.180 11.668 1.00 0.00 H ATOM 2318 H CYS B 32 20.179 21.679 11.883 1.00 0.00 H ATOM 2319 N ARG B 33 18.343 21.685 14.821 1.00 6.47 N ATOM 2320 CA ARG B 33 17.485 21.349 15.965 1.00 7.01 C ATOM 2321 C ARG B 33 18.183 20.446 16.982 1.00 8.46 C ATOM 2322 O ARG B 33 17.545 19.825 17.838 1.00 8.61 O ATOM 2323 CB ARG B 33 16.156 20.743 15.473 1.00 6.54 C ATOM 2324 CG ARG B 33 15.297 21.699 14.628 1.00 7.49 C ATOM 2325 CD ARG B 33 14.883 22.963 15.372 1.00 7.43 C ATOM 2326 NE ARG B 33 13.964 23.764 14.557 1.00 8.79 N ATOM 2327 CZ ARG B 33 12.673 23.477 14.348 1.00 9.67 C ATOM 2328 NH1 ARG B 33 12.096 22.429 14.932 1.00 9.78 N ATOM 2329 NH2 ARG B 33 11.934 24.277 13.578 1.00 11.12 N ATOM 2330 HA ARG B 33 17.266 22.275 16.496 1.00 0.00 H ATOM 2331 HB2 ARG B 33 16.384 19.865 14.869 1.00 0.00 H ATOM 2332 HB3 ARG B 33 15.575 20.442 16.345 1.00 0.00 H ATOM 2333 HG2 ARG B 33 15.869 21.989 13.746 1.00 0.00 H ATOM 2334 HG3 ARG B 33 14.396 21.170 14.317 1.00 0.00 H ATOM 2335 HD2 ARG B 33 15.771 23.554 15.597 1.00 0.00 H ATOM 2336 HD3 ARG B 33 14.388 22.685 16.303 1.00 0.00 H ATOM 2337 HE ARG B 33 14.344 24.621 14.107 1.00 0.00 H ATOM 2338 HH12 ARG B 33 11.092 22.223 14.756 1.00 0.00 H ATOM 2339 HH11 ARG B 33 12.649 21.816 15.564 1.00 0.00 H ATOM 2340 HH22 ARG B 33 10.931 24.058 13.413 1.00 0.00 H ATOM 2341 HH21 ARG B 33 12.361 25.120 13.143 1.00 0.00 H ATOM 2342 H ARG B 33 18.365 21.042 14.004 1.00 0.00 H ATOM 2343 N LYS B 34 19.506 20.376 16.864 1.00 8.87 N ATOM 2344 CA LYS B 34 20.389 19.777 17.877 1.00 10.82 C ATOM 2345 C LYS B 34 20.171 18.273 18.077 1.00 11.06 C ATOM 2346 O LYS B 34 20.255 17.752 19.209 1.00 12.42 O ATOM 2347 CB LYS B 34 20.271 20.565 19.186 1.00 10.35 C ATOM 2348 CG LYS B 34 20.551 22.061 19.012 1.00 12.55 C ATOM 2349 CD LYS B 34 20.491 22.805 20.337 1.00 13.23 C ATOM 2350 CE LYS B 34 20.637 24.317 20.147 1.00 16.83 C ATOM 2351 NZ LYS B 34 21.125 24.993 21.391 1.00 20.29 N ATOM 2352 HA LYS B 34 21.412 19.852 17.507 1.00 0.00 H ATOM 2353 HB2 LYS B 34 19.260 20.444 19.575 1.00 0.00 H ATOM 2354 HB3 LYS B 34 20.985 20.159 19.902 1.00 0.00 H ATOM 2355 HG2 LYS B 34 21.544 22.187 18.581 1.00 0.00 H ATOM 2356 HG3 LYS B 34 19.807 22.483 18.336 1.00 0.00 H ATOM 2357 HD2 LYS B 34 19.533 22.600 20.814 1.00 0.00 H ATOM 2358 HD3 LYS B 34 21.298 22.450 20.978 1.00 0.00 H ATOM 2359 HE2 LYS B 34 19.667 24.734 19.877 1.00 0.00 H ATOM 2360 HE3 LYS B 34 21.348 24.504 19.342 1.00 0.00 H ATOM 2361 HZ1 LYS B 34 20.449 24.825 22.163 1.00 0.00 H ATOM 2362 HZ2 LYS B 34 22.054 24.606 21.652 1.00 0.00 H ATOM 2363 HZ3 LYS B 34 21.210 26.015 21.218 1.00 0.00 H ATOM 2364 H LYS B 34 19.942 20.768 16.005 1.00 0.00 H ATOM 2365 N MET B 35 19.933 17.566 16.974 1.00 10.40 N ATOM 2366 CA MET B 35 19.787 16.115 17.017 1.00 11.26 C ATOM 2367 C MET B 35 20.991 15.372 16.438 1.00 12.12 C ATOM 2368 O MET B 35 20.919 14.169 16.155 1.00 11.34 O ATOM 2369 CB MET B 35 18.480 15.689 16.347 1.00 10.67 C ATOM 2370 CG MET B 35 17.283 15.935 17.244 1.00 10.84 C ATOM 2371 SD MET B 35 15.717 15.663 16.431 1.00 11.04 S ATOM 2372 CE MET B 35 15.605 17.131 15.413 1.00 9.19 C ATOM 2373 HA MET B 35 19.746 15.829 18.068 1.00 0.00 H ATOM 2374 HB2 MET B 35 18.354 16.257 15.425 1.00 0.00 H ATOM 2375 HB3 MET B 35 18.533 14.626 16.112 1.00 0.00 H ATOM 2376 HG2 MET B 35 17.317 16.968 17.591 1.00 0.00 H ATOM 2377 HG3 MET B 35 17.349 15.263 18.100 1.00 0.00 H ATOM 2378 HE1 MET B 35 15.618 18.015 16.050 1.00 0.00 H ATOM 2379 HE2 MET B 35 16.453 17.162 14.728 1.00 0.00 H ATOM 2380 HE3 MET B 35 14.676 17.106 14.843 1.00 0.00 H ATOM 2381 H MET B 35 19.849 18.059 16.062 1.00 0.00 H ATOM 2382 N THR B 36 22.097 16.097 16.274 1.00 12.67 N ATOM 2383 CA THR B 36 23.330 15.494 15.743 1.00 14.03 C ATOM 2384 C THR B 36 24.516 15.611 16.700 1.00 15.16 C ATOM 2385 O THR B 36 25.662 15.373 16.308 1.00 14.70 O ATOM 2386 CB THR B 36 23.707 16.067 14.356 1.00 14.17 C ATOM 2387 OG1 THR B 36 23.870 17.482 14.444 1.00 13.84 O ATOM 2388 CG2 THR B 36 22.632 15.758 13.329 1.00 13.60 C ATOM 2389 HA THR B 36 23.105 14.433 15.631 1.00 0.00 H ATOM 2390 HB THR B 36 24.641 15.601 14.042 1.00 0.00 H ATOM 2391 HG1 THR B 36 23.022 17.892 14.748 1.00 0.00 H ATOM 2392 HG23 THR B 36 22.501 14.678 13.256 1.00 0.00 H ATOM 2393 HG21 THR B 36 21.694 16.219 13.637 1.00 0.00 H ATOM 2394 HG22 THR B 36 22.932 16.156 12.360 1.00 0.00 H ATOM 2395 H THR B 36 22.089 17.106 16.526 1.00 0.00 H ATOM 2396 N GLN B 37 24.240 15.954 17.954 1.00 16.52 N ATOM 2397 CA GLN B 37 25.294 16.121 18.957 1.00 18.58 C ATOM 2398 C GLN B 37 25.437 14.842 19.785 1.00 18.55 C ATOM 2399 O GLN B 37 24.435 14.242 20.186 1.00 19.53 O ATOM 2400 CB GLN B 37 25.007 17.349 19.833 1.00 18.54 C ATOM 2401 CG GLN B 37 24.533 18.570 19.020 1.00 20.19 C ATOM 2402 CD GLN B 37 24.740 19.905 19.731 1.00 20.40 C ATOM 2403 OE1 GLN B 37 25.560 20.728 19.300 1.00 22.67 O ATOM 2404 NE2 GLN B 37 23.999 20.128 20.820 1.00 22.14 N ATOM 2405 HA GLN B 37 26.247 16.297 18.457 1.00 0.00 H ATOM 2406 HB2 GLN B 37 24.232 17.089 20.554 1.00 0.00 H ATOM 2407 HB3 GLN B 37 25.920 17.618 20.365 1.00 0.00 H ATOM 2408 HG2 GLN B 37 25.085 18.592 18.080 1.00 0.00 H ATOM 2409 HG3 GLN B 37 23.469 18.453 18.813 1.00 0.00 H ATOM 2410 HE22 GLN B 37 23.323 19.408 21.145 1.00 0.00 H ATOM 2411 HE21 GLN B 37 24.098 21.022 21.342 1.00 0.00 H ATOM 2412 H GLN B 37 23.249 16.108 18.230 1.00 0.00 H ATOM 2413 N GLY B 38 26.678 14.413 20.012 1.00 18.67 N ATOM 2414 CA GLY B 38 26.952 13.129 20.674 1.00 18.47 C ATOM 2415 C GLY B 38 26.873 11.942 19.721 1.00 18.06 C ATOM 2416 O GLY B 38 27.801 11.121 19.652 1.00 18.37 O ATOM 2417 HA3 GLY B 38 26.222 12.985 21.471 1.00 0.00 H ATOM 2418 HA2 GLY B 38 27.953 13.165 21.103 1.00 0.00 H ATOM 2419 H GLY B 38 27.478 15.005 19.711 1.00 0.00 H ATOM 2420 N LYS B 39 25.746 11.850 19.007 1.00 17.29 N ATOM 2421 CA LYS B 39 25.554 10.883 17.927 1.00 16.69 C ATOM 2422 C LYS B 39 24.470 11.385 16.972 1.00 15.51 C ATOM 2423 O LYS B 39 23.780 12.361 17.267 1.00 15.34 O ATOM 2424 CB LYS B 39 25.205 9.486 18.461 1.00 16.91 C ATOM 2425 CG LYS B 39 23.760 9.299 18.902 1.00 18.83 C ATOM 2426 CD LYS B 39 23.421 7.821 19.022 1.00 21.94 C ATOM 2427 CE LYS B 39 21.913 7.623 19.093 1.00 24.19 C ATOM 2428 NZ LYS B 39 21.544 6.191 19.320 1.00 25.64 N ATOM 2429 HA LYS B 39 26.496 10.790 17.386 1.00 0.00 H ATOM 2430 HB2 LYS B 39 25.413 8.762 17.673 1.00 0.00 H ATOM 2431 HB3 LYS B 39 25.848 9.283 19.318 1.00 0.00 H ATOM 2432 HG2 LYS B 39 23.616 9.779 19.870 1.00 0.00 H ATOM 2433 HG3 LYS B 39 23.099 9.759 18.168 1.00 0.00 H ATOM 2434 HD2 LYS B 39 23.812 7.291 18.153 1.00 0.00 H ATOM 2435 HD3 LYS B 39 23.879 7.420 19.926 1.00 0.00 H ATOM 2436 HE2 LYS B 39 21.470 7.956 18.155 1.00 0.00 H ATOM 2437 HE3 LYS B 39 21.518 8.222 19.913 1.00 0.00 H ATOM 2438 HZ1 LYS B 39 21.911 5.612 18.538 1.00 0.00 H ATOM 2439 HZ2 LYS B 39 21.957 5.866 20.218 1.00 0.00 H ATOM 2440 HZ3 LYS B 39 20.509 6.103 19.361 1.00 0.00 H ATOM 2441 H LYS B 39 24.966 12.500 19.231 1.00 0.00 H ATOM 2442 N CYS B 40 24.332 10.724 15.829 1.00 14.56 N ATOM 2443 CA CYS B 40 23.280 11.074 14.891 1.00 13.55 C ATOM 2444 C CYS B 40 22.008 10.366 15.325 1.00 12.62 C ATOM 2445 O CYS B 40 21.983 9.135 15.419 1.00 12.52 O ATOM 2446 CB CYS B 40 23.643 10.638 13.473 1.00 13.87 C ATOM 2447 SG CYS B 40 25.336 10.988 12.948 1.00 13.88 S ATOM 2448 HA CYS B 40 23.144 12.155 14.888 1.00 0.00 H ATOM 2449 HB2 CYS B 40 22.968 11.146 12.784 1.00 0.00 H ATOM 2450 HB3 CYS B 40 23.488 9.561 13.404 1.00 0.00 H ATOM 2451 H CYS B 40 24.985 9.947 15.603 1.00 0.00 H ATOM 2452 N LYS B 41 20.951 11.130 15.603 1.00 11.28 N ATOM 2453 CA LYS B 41 19.654 10.510 15.824 1.00 10.25 C ATOM 2454 C LYS B 41 19.307 9.824 14.499 1.00 10.27 C ATOM 2455 O LYS B 41 19.346 10.464 13.457 1.00 10.42 O ATOM 2456 CB LYS B 41 18.608 11.561 16.208 1.00 10.20 C ATOM 2457 CG LYS B 41 17.259 10.967 16.511 1.00 10.50 C ATOM 2458 CD LYS B 41 16.327 11.984 17.099 1.00 9.33 C ATOM 2459 CE LYS B 41 14.944 11.378 17.315 1.00 10.20 C ATOM 2460 NZ LYS B 41 14.001 12.434 17.720 1.00 9.99 N ATOM 2461 HA LYS B 41 19.673 9.796 16.647 1.00 0.00 H ATOM 2462 HB2 LYS B 41 18.959 12.094 17.092 1.00 0.00 H ATOM 2463 HB3 LYS B 41 18.501 12.263 15.381 1.00 0.00 H ATOM 2464 HG2 LYS B 41 16.826 10.582 15.588 1.00 0.00 H ATOM 2465 HG3 LYS B 41 17.384 10.149 17.221 1.00 0.00 H ATOM 2466 HD2 LYS B 41 16.724 12.324 18.056 1.00 0.00 H ATOM 2467 HD3 LYS B 41 16.245 12.832 16.419 1.00 0.00 H ATOM 2468 HE2 LYS B 41 14.998 10.620 18.096 1.00 0.00 H ATOM 2469 HE3 LYS B 41 14.600 10.919 16.388 1.00 0.00 H ATOM 2470 HZ1 LYS B 41 14.330 12.870 18.605 1.00 0.00 H ATOM 2471 HZ2 LYS B 41 13.950 13.156 16.974 1.00 0.00 H ATOM 2472 HZ3 LYS B 41 13.059 12.018 17.867 1.00 0.00 H ATOM 2473 H LYS B 41 21.053 12.163 15.661 1.00 0.00 H ATOM 2474 N PRO B 42 19.053 8.502 14.519 1.00 10.40 N ATOM 2475 CA PRO B 42 18.876 7.744 13.269 1.00 10.37 C ATOM 2476 C PRO B 42 17.633 8.085 12.453 1.00 10.08 C ATOM 2477 O PRO B 42 17.684 8.050 11.223 1.00 10.07 O ATOM 2478 CB PRO B 42 18.843 6.275 13.730 1.00 10.87 C ATOM 2479 CG PRO B 42 18.541 6.325 15.179 1.00 11.58 C ATOM 2480 CD PRO B 42 19.011 7.636 15.712 1.00 10.04 C ATOM 2481 HA PRO B 42 19.683 7.987 12.578 1.00 0.00 H ATOM 2482 HD3 PRO B 42 18.314 8.027 16.453 1.00 0.00 H ATOM 2483 HD2 PRO B 42 20.000 7.542 16.160 1.00 0.00 H ATOM 2484 HG3 PRO B 42 19.057 5.513 15.691 1.00 0.00 H ATOM 2485 HG2 PRO B 42 17.467 6.227 15.335 1.00 0.00 H ATOM 2486 HB2 PRO B 42 18.067 5.725 13.197 1.00 0.00 H ATOM 2487 HB3 PRO B 42 19.808 5.799 13.557 1.00 0.00 H ATOM 2488 N VAL B 43 16.528 8.386 13.128 1.00 9.16 N ATOM 2489 CA VAL B 43 15.270 8.637 12.446 1.00 8.91 C ATOM 2490 C VAL B 43 14.568 9.774 13.161 1.00 8.61 C ATOM 2491 O VAL B 43 14.441 9.748 14.377 1.00 8.39 O ATOM 2492 CB VAL B 43 14.361 7.393 12.463 1.00 8.92 C ATOM 2493 CG1 VAL B 43 13.022 7.713 11.855 1.00 9.91 C ATOM 2494 CG2 VAL B 43 15.001 6.227 11.710 1.00 10.87 C ATOM 2495 HA VAL B 43 15.475 8.888 11.405 1.00 0.00 H ATOM 2496 HB VAL B 43 14.225 7.098 13.503 1.00 0.00 H ATOM 2497 HG11 VAL B 43 12.546 8.509 12.427 1.00 0.00 H ATOM 2498 HG12 VAL B 43 13.161 8.038 10.824 1.00 0.00 H ATOM 2499 HG13 VAL B 43 12.393 6.823 11.875 1.00 0.00 H ATOM 2500 HG21 VAL B 43 15.174 6.517 10.674 1.00 0.00 H ATOM 2501 HG22 VAL B 43 15.950 5.970 12.180 1.00 0.00 H ATOM 2502 HG23 VAL B 43 14.334 5.366 11.741 1.00 0.00 H ATOM 2503 H VAL B 43 16.565 8.443 14.166 1.00 0.00 H ATOM 2504 N ASN B 44 14.129 10.774 12.400 1.00 7.68 N ATOM 2505 CA ASN B 44 13.353 11.860 12.981 1.00 8.14 C ATOM 2506 C ASN B 44 12.423 12.459 11.962 1.00 8.37 C ATOM 2507 O ASN B 44 12.792 12.625 10.813 1.00 9.68 O ATOM 2508 CB ASN B 44 14.275 12.946 13.518 1.00 7.37 C ATOM 2509 CG ASN B 44 13.531 13.983 14.313 1.00 9.60 C ATOM 2510 OD1 ASN B 44 13.110 13.722 15.437 1.00 11.39 O ATOM 2511 ND2 ASN B 44 13.351 15.152 13.737 1.00 8.82 N ATOM 2512 HA ASN B 44 12.764 11.446 13.800 1.00 0.00 H ATOM 2513 HB2 ASN B 44 15.026 12.484 14.159 1.00 0.00 H ATOM 2514 HB3 ASN B 44 14.768 13.435 12.678 1.00 0.00 H ATOM 2515 HD22 ASN B 44 13.727 15.325 12.783 1.00 0.00 H ATOM 2516 HD21 ASN B 44 12.833 15.903 14.236 1.00 0.00 H ATOM 2517 H ASN B 44 14.342 10.779 11.382 1.00 0.00 H ATOM 2518 N THR B 45 11.220 12.793 12.403 1.00 7.94 N ATOM 2519 CA THR B 45 10.208 13.325 11.520 1.00 7.26 C ATOM 2520 C THR B 45 9.888 14.770 11.907 1.00 7.48 C ATOM 2521 O THR B 45 9.686 15.069 13.091 1.00 7.99 O ATOM 2522 CB THR B 45 8.940 12.464 11.603 1.00 7.98 C ATOM 2523 OG1 THR B 45 9.258 11.099 11.280 1.00 7.90 O ATOM 2524 CG2 THR B 45 7.849 12.990 10.671 1.00 7.94 C ATOM 2525 HA THR B 45 10.581 13.308 10.496 1.00 0.00 H ATOM 2526 HB THR B 45 8.558 12.514 12.622 1.00 0.00 H ATOM 2527 HG1 THR B 45 9.625 11.055 10.362 1.00 0.00 H ATOM 2528 HG23 THR B 45 7.620 14.024 10.929 1.00 0.00 H ATOM 2529 HG21 THR B 45 8.199 12.940 9.640 1.00 0.00 H ATOM 2530 HG22 THR B 45 6.953 12.380 10.782 1.00 0.00 H ATOM 2531 H THR B 45 10.998 12.669 13.411 1.00 0.00 H ATOM 2532 N PHE B 46 9.846 15.645 10.898 1.00 7.47 N ATOM 2533 CA PHE B 46 9.387 17.008 11.087 1.00 7.66 C ATOM 2534 C PHE B 46 8.007 17.153 10.467 1.00 8.24 C ATOM 2535 O PHE B 46 7.730 16.595 9.390 1.00 9.14 O ATOM 2536 CB PHE B 46 10.354 17.974 10.414 1.00 8.19 C ATOM 2537 CG PHE B 46 11.695 18.001 11.043 1.00 8.90 C ATOM 2538 CD1 PHE B 46 11.904 18.738 12.214 1.00 7.50 C ATOM 2539 CD2 PHE B 46 12.759 17.295 10.496 1.00 8.74 C ATOM 2540 CE1 PHE B 46 13.163 18.754 12.825 1.00 6.87 C ATOM 2541 CE2 PHE B 46 14.012 17.322 11.093 1.00 7.58 C ATOM 2542 CZ PHE B 46 14.219 18.048 12.258 1.00 7.76 C ATOM 2543 HA PHE B 46 9.340 17.236 12.152 1.00 0.00 H ATOM 2544 HB2 PHE B 46 10.468 17.678 9.371 1.00 0.00 H ATOM 2545 HB3 PHE B 46 9.930 18.977 10.462 1.00 0.00 H ATOM 2546 HD2 PHE B 46 12.608 16.713 9.587 1.00 0.00 H ATOM 2547 HE2 PHE B 46 14.838 16.770 10.644 1.00 0.00 H ATOM 2548 HZ PHE B 46 15.203 18.065 12.726 1.00 0.00 H ATOM 2549 HE1 PHE B 46 13.316 19.319 13.744 1.00 0.00 H ATOM 2550 HD1 PHE B 46 11.082 19.303 12.653 1.00 0.00 H ATOM 2551 H PHE B 46 10.151 15.341 9.951 1.00 0.00 H ATOM 2552 N VAL B 47 7.146 17.878 11.163 1.00 8.03 N ATOM 2553 CA VAL B 47 5.768 18.104 10.744 1.00 8.12 C ATOM 2554 C VAL B 47 5.602 19.547 10.283 1.00 7.91 C ATOM 2555 O VAL B 47 6.032 20.480 10.979 1.00 7.90 O ATOM 2556 CB VAL B 47 4.774 17.786 11.900 1.00 8.44 C ATOM 2557 CG1 VAL B 47 3.317 18.022 11.456 1.00 8.26 C ATOM 2558 CG2 VAL B 47 4.958 16.327 12.383 1.00 9.21 C ATOM 2559 HA VAL B 47 5.542 17.434 9.915 1.00 0.00 H ATOM 2560 HB VAL B 47 4.991 18.461 12.728 1.00 0.00 H ATOM 2561 HG11 VAL B 47 3.192 19.065 11.163 1.00 0.00 H ATOM 2562 HG12 VAL B 47 3.087 17.376 10.609 1.00 0.00 H ATOM 2563 HG13 VAL B 47 2.645 17.792 12.283 1.00 0.00 H ATOM 2564 HG21 VAL B 47 4.770 15.645 11.554 1.00 0.00 H ATOM 2565 HG22 VAL B 47 5.978 16.191 12.743 1.00 0.00 H ATOM 2566 HG23 VAL B 47 4.256 16.122 13.191 1.00 0.00 H ATOM 2567 H VAL B 47 7.468 18.308 12.053 1.00 0.00 H ATOM 2568 N HIS B 48 4.937 19.740 9.147 1.00 7.64 N ATOM 2569 CA HIS B 48 4.868 21.084 8.540 1.00 7.64 C ATOM 2570 C HIS B 48 3.499 21.744 8.655 1.00 8.00 C ATOM 2571 O HIS B 48 3.287 22.874 8.190 1.00 8.46 O ATOM 2572 CB HIS B 48 5.324 21.035 7.075 1.00 7.81 C ATOM 2573 CG HIS B 48 6.650 20.379 6.919 1.00 7.88 C ATOM 2574 ND1 HIS B 48 7.782 20.856 7.551 1.00 8.77 N ATOM 2575 CD2 HIS B 48 7.014 19.241 6.291 1.00 8.66 C ATOM 2576 CE1 HIS B 48 8.799 20.059 7.269 1.00 6.70 C ATOM 2577 NE2 HIS B 48 8.360 19.076 6.507 1.00 7.96 N ATOM 2578 HA HIS B 48 5.550 21.710 9.115 1.00 0.00 H ATOM 2579 HB2 HIS B 48 4.587 20.478 6.496 1.00 0.00 H ATOM 2580 HB3 HIS B 48 5.389 22.054 6.693 1.00 0.00 H ATOM 2581 HD2 HIS B 48 6.363 18.579 5.721 1.00 0.00 H ATOM 2582 HE1 HIS B 48 9.826 20.192 7.609 1.00 0.00 H ATOM 2583 H HIS B 48 4.463 18.939 8.684 1.00 0.00 H ATOM 2584 N GLU B 49 2.557 21.020 9.255 1.00 8.08 N ATOM 2585 CA GLU B 49 1.267 21.596 9.591 1.00 8.06 C ATOM 2586 C GLU B 49 1.461 22.596 10.729 1.00 7.50 C ATOM 2587 O GLU B 49 2.523 22.642 11.376 1.00 8.23 O ATOM 2588 CB GLU B 49 0.283 20.491 9.993 1.00 7.72 C ATOM 2589 CG GLU B 49 0.099 19.392 8.898 1.00 8.40 C ATOM 2590 CD GLU B 49 -0.406 19.923 7.542 1.00 11.35 C ATOM 2591 OE1 GLU B 49 -1.056 20.997 7.490 1.00 10.06 O ATOM 2592 OE2 GLU B 49 -0.184 19.250 6.501 1.00 10.59 O ATOM 2593 HA GLU B 49 0.850 22.112 8.726 1.00 0.00 H ATOM 2594 HB2 GLU B 49 0.651 20.015 10.902 1.00 0.00 H ATOM 2595 HB3 GLU B 49 -0.687 20.947 10.191 1.00 0.00 H ATOM 2596 HG2 GLU B 49 1.061 18.906 8.737 1.00 0.00 H ATOM 2597 HG3 GLU B 49 -0.619 18.660 9.267 1.00 0.00 H ATOM 2598 H GLU B 49 2.748 20.024 9.487 1.00 0.00 H ATOM 2599 N SER B 50 0.431 23.387 10.996 1.00 8.07 N ATOM 2600 CA SER B 50 0.500 24.324 12.101 1.00 7.70 C ATOM 2601 C SER B 50 0.648 23.630 13.448 1.00 7.75 C ATOM 2602 O SER B 50 0.214 22.488 13.642 1.00 7.23 O ATOM 2603 CB SER B 50 -0.764 25.175 12.147 1.00 7.42 C ATOM 2604 OG SER B 50 -1.892 24.352 12.412 1.00 7.28 O ATOM 2605 HA SER B 50 1.383 24.940 11.928 1.00 0.00 H ATOM 2606 HB2 SER B 50 -0.898 25.675 11.188 1.00 0.00 H ATOM 2607 HB3 SER B 50 -0.668 25.922 12.935 1.00 0.00 H ATOM 2608 HG SER B 50 -2.708 24.912 12.440 1.00 0.00 H ATOM 2609 H SER B 50 -0.428 23.336 10.412 1.00 0.00 H ATOM 2610 N LEU B 51 1.225 24.351 14.398 1.00 8.13 N ATOM 2611 CA LEU B 51 1.282 23.837 15.750 1.00 8.66 C ATOM 2612 C LEU B 51 -0.126 23.547 16.297 1.00 8.03 C ATOM 2613 O LEU B 51 -0.334 22.534 16.954 1.00 7.82 O ATOM 2614 CB LEU B 51 2.063 24.791 16.651 1.00 8.69 C ATOM 2615 CG LEU B 51 2.215 24.353 18.102 1.00 8.69 C ATOM 2616 CD1 LEU B 51 3.032 23.096 18.218 1.00 11.21 C ATOM 2617 CD2 LEU B 51 2.837 25.511 18.910 1.00 10.61 C ATOM 2618 HA LEU B 51 1.815 22.886 15.736 1.00 0.00 H ATOM 2619 HB2 LEU B 51 3.061 24.908 16.230 1.00 0.00 H ATOM 2620 HB3 LEU B 51 1.552 25.754 16.643 1.00 0.00 H ATOM 2621 HG LEU B 51 1.232 24.118 18.510 1.00 0.00 H ATOM 2622 HD21 LEU B 51 3.814 25.759 18.495 1.00 0.00 H ATOM 2623 HD22 LEU B 51 2.185 26.383 18.854 1.00 0.00 H ATOM 2624 HD23 LEU B 51 2.950 25.207 19.951 1.00 0.00 H ATOM 2625 HD11 LEU B 51 2.543 22.294 17.665 1.00 0.00 H ATOM 2626 HD12 LEU B 51 4.025 23.270 17.805 1.00 0.00 H ATOM 2627 HD13 LEU B 51 3.118 22.816 19.268 1.00 0.00 H ATOM 2628 H LEU B 51 1.634 25.280 14.174 1.00 0.00 H ATOM 2629 N ALA B 52 -1.100 24.401 15.991 1.00 8.45 N ATOM 2630 CA ALA B 52 -2.469 24.153 16.444 1.00 8.61 C ATOM 2631 C ALA B 52 -3.018 22.833 15.908 1.00 9.00 C ATOM 2632 O ALA B 52 -3.609 22.053 16.660 1.00 8.88 O ATOM 2633 CB ALA B 52 -3.378 25.324 16.056 1.00 8.46 C ATOM 2634 HA ALA B 52 -2.449 24.071 17.531 1.00 0.00 H ATOM 2635 HB1 ALA B 52 -3.009 26.238 16.521 1.00 0.00 H ATOM 2636 HB2 ALA B 52 -3.377 25.440 14.972 1.00 0.00 H ATOM 2637 HB3 ALA B 52 -4.393 25.124 16.400 1.00 0.00 H ATOM 2638 H ALA B 52 -0.887 25.249 15.427 1.00 0.00 H ATOM 2639 N ASP B 53 -2.806 22.568 14.617 1.00 8.44 N ATOM 2640 CA ASP B 53 -3.243 21.297 14.015 1.00 9.52 C ATOM 2641 C ASP B 53 -2.607 20.077 14.680 1.00 9.30 C ATOM 2642 O ASP B 53 -3.270 19.068 14.886 1.00 9.83 O ATOM 2643 CB ASP B 53 -2.981 21.253 12.503 1.00 9.98 C ATOM 2644 CG ASP B 53 -4.034 21.999 11.699 1.00 12.34 C ATOM 2645 OD1 ASP B 53 -4.959 22.584 12.311 1.00 12.36 O ATOM 2646 OD2 ASP B 53 -3.942 21.993 10.450 1.00 11.89 O ATOM 2647 HA ASP B 53 -4.319 21.253 14.187 1.00 0.00 H ATOM 2648 HB2 ASP B 53 -2.008 21.703 12.305 1.00 0.00 H ATOM 2649 HB3 ASP B 53 -2.971 20.212 12.182 1.00 0.00 H ATOM 2650 H ASP B 53 -2.323 23.273 14.025 1.00 0.00 H ATOM 2651 N VAL B 54 -1.314 20.169 14.980 1.00 7.98 N ATOM 2652 CA VAL B 54 -0.604 19.053 15.629 1.00 7.73 C ATOM 2653 C VAL B 54 -1.089 18.882 17.076 1.00 7.68 C ATOM 2654 O VAL B 54 -1.339 17.753 17.518 1.00 8.03 O ATOM 2655 CB VAL B 54 0.927 19.204 15.509 1.00 8.08 C ATOM 2656 CG1 VAL B 54 1.676 18.020 16.177 1.00 9.07 C ATOM 2657 CG2 VAL B 54 1.290 19.323 14.039 1.00 7.89 C ATOM 2658 HA VAL B 54 -0.845 18.130 15.103 1.00 0.00 H ATOM 2659 HB VAL B 54 1.238 20.105 16.038 1.00 0.00 H ATOM 2660 HG11 VAL B 54 1.417 17.978 17.235 1.00 0.00 H ATOM 2661 HG12 VAL B 54 1.384 17.088 15.693 1.00 0.00 H ATOM 2662 HG13 VAL B 54 2.751 18.165 16.070 1.00 0.00 H ATOM 2663 HG21 VAL B 54 0.963 18.427 13.512 1.00 0.00 H ATOM 2664 HG22 VAL B 54 0.796 20.197 13.614 1.00 0.00 H ATOM 2665 HG23 VAL B 54 2.370 19.430 13.940 1.00 0.00 H ATOM 2666 H VAL B 54 -0.797 21.042 14.753 1.00 0.00 H ATOM 2667 N LYS B 55 -1.258 19.989 17.798 1.00 7.19 N ATOM 2668 CA LYS B 55 -1.817 19.889 19.145 1.00 8.19 C ATOM 2669 C LYS B 55 -3.207 19.253 19.130 1.00 7.75 C ATOM 2670 O LYS B 55 -3.562 18.480 20.023 1.00 9.33 O ATOM 2671 CB LYS B 55 -1.877 21.259 19.827 1.00 7.96 C ATOM 2672 CG LYS B 55 -0.501 21.806 20.253 1.00 8.81 C ATOM 2673 CD LYS B 55 -0.656 23.241 20.726 1.00 12.26 C ATOM 2674 CE LYS B 55 0.555 23.731 21.482 1.00 14.04 C ATOM 2675 NZ LYS B 55 0.270 25.088 22.053 1.00 15.80 N ATOM 2676 HA LYS B 55 -1.150 19.245 19.718 1.00 0.00 H ATOM 2677 HB2 LYS B 55 -2.329 21.968 19.133 1.00 0.00 H ATOM 2678 HB3 LYS B 55 -2.502 21.173 20.716 1.00 0.00 H ATOM 2679 HG2 LYS B 55 -0.101 21.196 21.063 1.00 0.00 H ATOM 2680 HG3 LYS B 55 0.183 21.774 19.405 1.00 0.00 H ATOM 2681 HD2 LYS B 55 -0.810 23.882 19.858 1.00 0.00 H ATOM 2682 HD3 LYS B 55 -1.526 23.302 21.380 1.00 0.00 H ATOM 2683 HE2 LYS B 55 1.407 23.793 20.805 1.00 0.00 H ATOM 2684 HE3 LYS B 55 0.785 23.037 22.290 1.00 0.00 H ATOM 2685 HZ1 LYS B 55 0.051 25.749 21.280 1.00 0.00 H ATOM 2686 HZ2 LYS B 55 -0.543 25.027 22.699 1.00 0.00 H ATOM 2687 HZ3 LYS B 55 1.104 25.426 22.574 1.00 0.00 H ATOM 2688 H LYS B 55 -0.995 20.916 17.407 1.00 0.00 H ATOM 2689 N ALA B 56 -3.991 19.556 18.091 1.00 8.62 N ATOM 2690 CA ALA B 56 -5.349 19.000 17.962 1.00 8.30 C ATOM 2691 C ALA B 56 -5.416 17.470 17.893 1.00 8.36 C ATOM 2692 O ALA B 56 -6.450 16.879 18.201 1.00 9.04 O ATOM 2693 CB ALA B 56 -6.065 19.607 16.754 1.00 8.17 C ATOM 2694 HA ALA B 56 -5.856 19.277 18.886 1.00 0.00 H ATOM 2695 HB1 ALA B 56 -6.135 20.687 16.880 1.00 0.00 H ATOM 2696 HB2 ALA B 56 -5.502 19.381 15.848 1.00 0.00 H ATOM 2697 HB3 ALA B 56 -7.066 19.183 16.676 1.00 0.00 H ATOM 2698 H ALA B 56 -3.634 20.200 17.356 1.00 0.00 H ATOM 2699 N VAL B 57 -4.325 16.839 17.474 1.00 7.72 N ATOM 2700 CA VAL B 57 -4.268 15.379 17.378 1.00 7.54 C ATOM 2701 C VAL B 57 -4.508 14.751 18.751 1.00 8.03 C ATOM 2702 O VAL B 57 -5.042 13.651 18.838 1.00 7.89 O ATOM 2703 CB VAL B 57 -2.925 14.918 16.733 1.00 7.56 C ATOM 2704 CG1 VAL B 57 -2.820 13.400 16.626 1.00 6.29 C ATOM 2705 CG2 VAL B 57 -2.796 15.566 15.352 1.00 7.59 C ATOM 2706 HA VAL B 57 -5.064 15.031 16.720 1.00 0.00 H ATOM 2707 HB VAL B 57 -2.107 15.237 17.379 1.00 0.00 H ATOM 2708 HG11 VAL B 57 -2.883 12.962 17.622 1.00 0.00 H ATOM 2709 HG12 VAL B 57 -3.636 13.023 16.010 1.00 0.00 H ATOM 2710 HG13 VAL B 57 -1.866 13.134 16.170 1.00 0.00 H ATOM 2711 HG21 VAL B 57 -3.633 15.256 14.727 1.00 0.00 H ATOM 2712 HG22 VAL B 57 -2.803 16.651 15.459 1.00 0.00 H ATOM 2713 HG23 VAL B 57 -1.860 15.251 14.890 1.00 0.00 H ATOM 2714 H VAL B 57 -3.489 17.397 17.207 1.00 0.00 H ATOM 2715 N CYS B 58 -4.146 15.466 19.821 1.00 9.03 N ATOM 2716 CA CYS B 58 -4.324 14.935 21.191 1.00 9.59 C ATOM 2717 C CYS B 58 -5.798 14.785 21.564 1.00 10.52 C ATOM 2718 O CYS B 58 -6.144 14.125 22.560 1.00 10.45 O ATOM 2719 CB CYS B 58 -3.619 15.820 22.217 1.00 9.47 C ATOM 2720 SG CYS B 58 -1.847 15.922 22.002 1.00 9.94 S ATOM 2721 HA CYS B 58 -3.872 13.943 21.203 1.00 0.00 H ATOM 2722 HB2 CYS B 58 -3.821 15.419 23.210 1.00 0.00 H ATOM 2723 HB3 CYS B 58 -4.031 16.826 22.142 1.00 0.00 H ATOM 2724 H CYS B 58 -3.732 16.411 19.689 1.00 0.00 H ATOM 2725 N SER B 59 -6.661 15.402 20.765 1.00 11.06 N ATOM 2726 CA SER B 59 -8.101 15.269 20.960 1.00 12.84 C ATOM 2727 C SER B 59 -8.750 14.405 19.861 1.00 13.03 C ATOM 2728 O SER B 59 -9.976 14.334 19.757 1.00 14.00 O ATOM 2729 CB SER B 59 -8.738 16.654 21.053 1.00 12.37 C ATOM 2730 OG SER B 59 -8.835 17.245 19.776 1.00 16.43 O ATOM 2731 HA SER B 59 -8.279 14.746 21.900 1.00 0.00 H ATOM 2732 HB2 SER B 59 -8.126 17.287 21.695 1.00 0.00 H ATOM 2733 HB3 SER B 59 -9.736 16.561 21.481 1.00 0.00 H ATOM 2734 HG SER B 59 -7.930 17.334 19.385 1.00 0.00 H ATOM 2735 H SER B 59 -6.304 15.991 19.986 1.00 0.00 H ATOM 2736 N GLN B 60 -7.924 13.713 19.078 1.00 13.42 N ATOM 2737 CA GLN B 60 -8.394 12.909 17.939 1.00 13.50 C ATOM 2738 C GLN B 60 -8.379 11.394 18.244 1.00 14.05 C ATOM 2739 O GLN B 60 -8.691 11.005 19.370 1.00 14.38 O ATOM 2740 CB GLN B 60 -7.656 13.319 16.651 1.00 13.23 C ATOM 2741 CG GLN B 60 -8.086 14.729 16.188 1.00 13.33 C ATOM 2742 CD GLN B 60 -7.184 15.360 15.128 1.00 13.30 C ATOM 2743 OE1 GLN B 60 -6.417 14.679 14.456 1.00 12.40 O ATOM 2744 NE2 GLN B 60 -7.303 16.674 14.961 1.00 14.38 N ATOM 2745 HA GLN B 60 -9.447 13.127 17.763 1.00 0.00 H ATOM 2746 HB2 GLN B 60 -6.582 13.318 16.840 1.00 0.00 H ATOM 2747 HB3 GLN B 60 -7.886 12.600 15.864 1.00 0.00 H ATOM 2748 HG2 GLN B 60 -9.093 14.659 15.778 1.00 0.00 H ATOM 2749 HG3 GLN B 60 -8.095 15.384 17.059 1.00 0.00 H ATOM 2750 HE22 GLN B 60 -7.966 17.215 15.552 1.00 0.00 H ATOM 2751 HE21 GLN B 60 -6.733 17.160 14.239 1.00 0.00 H ATOM 2752 H GLN B 60 -6.904 13.742 19.280 1.00 0.00 H ATOM 2753 N LYS B 61 -8.044 10.547 17.272 1.00 14.31 N ATOM 2754 CA LYS B 61 -8.244 9.102 17.438 1.00 14.72 C ATOM 2755 C LYS B 61 -7.251 8.434 18.395 1.00 13.74 C ATOM 2756 O LYS B 61 -6.063 8.395 18.117 1.00 13.47 O ATOM 2757 CB LYS B 61 -8.214 8.383 16.081 1.00 14.44 C ATOM 2758 CG LYS B 61 -8.775 6.956 16.136 1.00 15.18 C ATOM 2759 CD LYS B 61 -8.405 6.146 14.884 1.00 16.16 C ATOM 2760 CE LYS B 61 -8.959 4.729 14.986 1.00 19.00 C ATOM 2761 NZ LYS B 61 -8.061 3.714 14.364 1.00 22.14 N ATOM 2762 HA LYS B 61 -9.229 9.004 17.894 1.00 0.00 H ATOM 2763 HB2 LYS B 61 -8.806 8.960 15.370 1.00 0.00 H ATOM 2764 HB3 LYS B 61 -7.181 8.336 15.737 1.00 0.00 H ATOM 2765 HG2 LYS B 61 -8.371 6.452 17.014 1.00 0.00 H ATOM 2766 HG3 LYS B 61 -9.861 7.007 16.215 1.00 0.00 H ATOM 2767 HD2 LYS B 61 -8.824 6.633 14.004 1.00 0.00 H ATOM 2768 HD3 LYS B 61 -7.320 6.102 14.792 1.00 0.00 H ATOM 2769 HE2 LYS B 61 -9.925 4.695 14.483 1.00 0.00 H ATOM 2770 HE3 LYS B 61 -9.090 4.480 16.039 1.00 0.00 H ATOM 2771 HZ1 LYS B 61 -7.935 3.936 13.356 1.00 0.00 H ATOM 2772 HZ2 LYS B 61 -7.137 3.731 14.842 1.00 0.00 H ATOM 2773 HZ3 LYS B 61 -8.486 2.770 14.462 1.00 0.00 H ATOM 2774 H LYS B 61 -7.637 10.913 16.387 1.00 0.00 H ATOM 2775 N LYS B 62 -7.754 7.889 19.502 1.00 13.79 N ATOM 2776 CA LYS B 62 -6.935 7.075 20.411 1.00 14.02 C ATOM 2777 C LYS B 62 -6.437 5.794 19.739 1.00 13.60 C ATOM 2778 O LYS B 62 -7.236 5.010 19.203 1.00 13.33 O ATOM 2779 CB LYS B 62 -7.731 6.707 21.666 1.00 14.59 C ATOM 2780 CG LYS B 62 -7.159 7.257 22.935 1.00 17.05 C ATOM 2781 CD LYS B 62 -5.928 6.470 23.366 1.00 20.51 C ATOM 2782 CE LYS B 62 -5.259 7.132 24.546 1.00 20.83 C ATOM 2783 NZ LYS B 62 -6.169 7.160 25.730 1.00 22.38 N ATOM 2784 HA LYS B 62 -6.069 7.678 20.685 1.00 0.00 H ATOM 2785 HB2 LYS B 62 -8.745 7.090 21.553 1.00 0.00 H ATOM 2786 HB3 LYS B 62 -7.761 5.620 21.746 1.00 0.00 H ATOM 2787 HG2 LYS B 62 -6.879 8.299 22.778 1.00 0.00 H ATOM 2788 HG3 LYS B 62 -7.913 7.199 23.720 1.00 0.00 H ATOM 2789 HD2 LYS B 62 -6.228 5.460 23.644 1.00 0.00 H ATOM 2790 HD3 LYS B 62 -5.224 6.423 22.535 1.00 0.00 H ATOM 2791 HE2 LYS B 62 -4.991 8.154 24.277 1.00 0.00 H ATOM 2792 HE3 LYS B 62 -4.357 6.577 24.802 1.00 0.00 H ATOM 2793 HZ1 LYS B 62 -7.030 7.693 25.492 1.00 0.00 H ATOM 2794 HZ2 LYS B 62 -6.424 6.187 25.993 1.00 0.00 H ATOM 2795 HZ3 LYS B 62 -5.685 7.620 26.527 1.00 0.00 H ATOM 2796 H LYS B 62 -8.757 8.044 19.730 1.00 0.00 H ATOM 2797 N VAL B 63 -5.121 5.591 19.755 1.00 13.28 N ATOM 2798 CA VAL B 63 -4.524 4.398 19.153 1.00 12.95 C ATOM 2799 C VAL B 63 -3.434 3.826 20.046 1.00 13.65 C ATOM 2800 O VAL B 63 -2.987 4.483 20.993 1.00 13.20 O ATOM 2801 CB VAL B 63 -3.935 4.671 17.748 1.00 13.04 C ATOM 2802 CG1 VAL B 63 -5.038 5.054 16.749 1.00 12.43 C ATOM 2803 CG2 VAL B 63 -2.859 5.753 17.818 1.00 12.41 C ATOM 2804 HA VAL B 63 -5.333 3.676 19.046 1.00 0.00 H ATOM 2805 HB VAL B 63 -3.471 3.752 17.391 1.00 0.00 H ATOM 2806 HG11 VAL B 63 -5.757 4.238 16.673 1.00 0.00 H ATOM 2807 HG12 VAL B 63 -5.544 5.955 17.096 1.00 0.00 H ATOM 2808 HG13 VAL B 63 -4.593 5.240 15.772 1.00 0.00 H ATOM 2809 HG21 VAL B 63 -3.296 6.674 18.204 1.00 0.00 H ATOM 2810 HG22 VAL B 63 -2.058 5.425 18.480 1.00 0.00 H ATOM 2811 HG23 VAL B 63 -2.458 5.930 16.820 1.00 0.00 H ATOM 2812 H VAL B 63 -4.503 6.296 20.205 1.00 0.00 H ATOM 2813 N THR B 64 -3.022 2.601 19.735 1.00 14.58 N ATOM 2814 CA THR B 64 -1.955 1.914 20.466 1.00 15.44 C ATOM 2815 C THR B 64 -0.608 2.591 20.194 1.00 15.40 C ATOM 2816 O THR B 64 -0.293 2.886 19.043 1.00 16.44 O ATOM 2817 CB THR B 64 -1.863 0.422 20.057 1.00 15.66 C ATOM 2818 OG1 THR B 64 -1.517 0.332 18.668 1.00 17.81 O ATOM 2819 CG2 THR B 64 -3.193 -0.309 20.306 1.00 15.84 C ATOM 2820 HA THR B 64 -2.192 1.972 21.528 1.00 0.00 H ATOM 2821 HB THR B 64 -1.096 -0.055 20.667 1.00 0.00 H ATOM 2822 HG1 THR B 64 -0.643 0.772 18.518 1.00 0.00 H ATOM 2823 HG23 THR B 64 -3.453 -0.239 21.362 1.00 0.00 H ATOM 2824 HG21 THR B 64 -3.978 0.152 19.706 1.00 0.00 H ATOM 2825 HG22 THR B 64 -3.088 -1.357 20.025 1.00 0.00 H ATOM 2826 H THR B 64 -3.477 2.110 18.939 1.00 0.00 H ATOM 2827 N CYS B 65 0.171 2.858 21.242 1.00 15.35 N ATOM 2828 CA CYS B 65 1.520 3.402 21.066 1.00 15.18 C ATOM 2829 C CYS B 65 2.432 2.271 20.684 1.00 15.31 C ATOM 2830 O CYS B 65 2.277 1.154 21.188 1.00 13.83 O ATOM 2831 CB CYS B 65 2.073 3.986 22.361 1.00 15.47 C ATOM 2832 SG CYS B 65 1.287 5.424 23.002 1.00 17.44 S ATOM 2833 HA CYS B 65 1.468 4.185 20.310 1.00 0.00 H ATOM 2834 HB2 CYS B 65 3.120 4.235 22.187 1.00 0.00 H ATOM 2835 HB3 CYS B 65 2.008 3.210 23.124 1.00 0.00 H ATOM 2836 H CYS B 65 -0.185 2.677 22.202 1.00 0.00 H ATOM 2837 N LYS B 66 3.418 2.561 19.844 1.00 15.59 N ATOM 2838 CA LYS B 66 4.413 1.551 19.499 1.00 16.68 C ATOM 2839 C LYS B 66 5.147 1.008 20.728 1.00 16.25 C ATOM 2840 O LYS B 66 5.524 -0.167 20.763 1.00 16.51 O ATOM 2841 CB LYS B 66 5.394 2.081 18.460 1.00 17.29 C ATOM 2842 CG LYS B 66 4.794 2.066 17.062 1.00 20.53 C ATOM 2843 CD LYS B 66 5.746 1.499 16.020 1.00 26.68 C ATOM 2844 CE LYS B 66 4.976 1.064 14.770 1.00 28.77 C ATOM 2845 NZ LYS B 66 5.790 1.188 13.529 1.00 31.29 N ATOM 2846 HA LYS B 66 3.873 0.712 19.061 1.00 0.00 H ATOM 2847 HB2 LYS B 66 5.664 3.105 18.718 1.00 0.00 H ATOM 2848 HB3 LYS B 66 6.288 1.458 18.468 1.00 0.00 H ATOM 2849 HG2 LYS B 66 3.890 1.457 17.077 1.00 0.00 H ATOM 2850 HG3 LYS B 66 4.538 3.088 16.781 1.00 0.00 H ATOM 2851 HD2 LYS B 66 6.474 2.262 15.746 1.00 0.00 H ATOM 2852 HD3 LYS B 66 6.266 0.637 16.439 1.00 0.00 H ATOM 2853 HE2 LYS B 66 4.088 1.689 14.670 1.00 0.00 H ATOM 2854 HE3 LYS B 66 4.675 0.023 14.889 1.00 0.00 H ATOM 2855 HZ1 LYS B 66 6.076 2.180 13.401 1.00 0.00 H ATOM 2856 HZ2 LYS B 66 6.636 0.589 13.610 1.00 0.00 H ATOM 2857 HZ3 LYS B 66 5.224 0.882 12.712 1.00 0.00 H ATOM 2858 H LYS B 66 3.482 3.513 19.430 1.00 0.00 H ATOM 2859 N ASN B 67 5.331 1.857 21.738 1.00 15.50 N ATOM 2860 CA ASN B 67 5.991 1.429 22.967 1.00 14.94 C ATOM 2861 C ASN B 67 5.037 0.863 24.029 1.00 13.89 C ATOM 2862 O ASN B 67 5.434 0.636 25.165 1.00 13.62 O ATOM 2863 CB ASN B 67 6.816 2.588 23.550 1.00 15.37 C ATOM 2864 CG ASN B 67 5.956 3.635 24.233 1.00 15.84 C ATOM 2865 OD1 ASN B 67 4.720 3.605 24.168 1.00 15.63 O ATOM 2866 ND2 ASN B 67 6.617 4.583 24.886 1.00 14.04 N ATOM 2867 HA ASN B 67 6.645 0.603 22.689 1.00 0.00 H ATOM 2868 HB2 ASN B 67 7.518 2.184 24.279 1.00 0.00 H ATOM 2869 HB3 ASN B 67 7.369 3.065 22.740 1.00 0.00 H ATOM 2870 HD22 ASN B 67 7.657 4.567 24.914 1.00 0.00 H ATOM 2871 HD21 ASN B 67 6.095 5.341 25.370 1.00 0.00 H ATOM 2872 H ASN B 67 5.000 2.839 21.649 1.00 0.00 H ATOM 2873 N GLY B 68 3.774 0.649 23.672 1.00 12.87 N ATOM 2874 CA GLY B 68 2.819 0.037 24.601 1.00 12.39 C ATOM 2875 C GLY B 68 2.184 0.951 25.638 1.00 12.98 C ATOM 2876 O GLY B 68 1.337 0.514 26.419 1.00 13.17 O ATOM 2877 HA3 GLY B 68 3.342 -0.755 25.136 1.00 0.00 H ATOM 2878 HA2 GLY B 68 2.014 -0.397 24.008 1.00 0.00 H ATOM 2879 H GLY B 68 3.459 0.920 22.719 1.00 0.00 H ATOM 2880 N GLN B 69 2.602 2.214 25.685 1.00 12.22 N ATOM 2881 CA GLN B 69 1.899 3.182 26.521 1.00 12.63 C ATOM 2882 C GLN B 69 0.522 3.436 25.929 1.00 12.83 C ATOM 2883 O GLN B 69 0.235 3.027 24.799 1.00 13.21 O ATOM 2884 CB GLN B 69 2.684 4.484 26.670 1.00 12.40 C ATOM 2885 CG GLN B 69 3.973 4.275 27.454 1.00 11.88 C ATOM 2886 CD GLN B 69 4.570 5.569 27.917 1.00 13.71 C ATOM 2887 OE1 GLN B 69 4.040 6.211 28.821 1.00 14.97 O ATOM 2888 NE2 GLN B 69 5.685 5.954 27.316 1.00 12.10 N ATOM 2889 HA GLN B 69 1.795 2.769 27.524 1.00 0.00 H ATOM 2890 HB2 GLN B 69 2.930 4.864 25.679 1.00 0.00 H ATOM 2891 HB3 GLN B 69 2.065 5.213 27.194 1.00 0.00 H ATOM 2892 HG2 GLN B 69 3.758 3.656 28.325 1.00 0.00 H ATOM 2893 HG3 GLN B 69 4.694 3.764 26.815 1.00 0.00 H ATOM 2894 HE22 GLN B 69 6.093 5.374 26.556 1.00 0.00 H ATOM 2895 HE21 GLN B 69 6.153 6.837 27.604 1.00 0.00 H ATOM 2896 H GLN B 69 3.428 2.510 25.127 1.00 0.00 H ATOM 2897 N THR B 70 -0.337 4.085 26.699 1.00 12.40 N ATOM 2898 CA THR B 70 -1.725 4.225 26.294 1.00 13.09 C ATOM 2899 C THR B 70 -2.111 5.690 26.150 1.00 12.99 C ATOM 2900 O THR B 70 -3.254 6.069 26.436 1.00 14.09 O ATOM 2901 CB THR B 70 -2.660 3.470 27.277 1.00 12.98 C ATOM 2902 OG1 THR B 70 -2.320 3.813 28.622 1.00 13.38 O ATOM 2903 CG2 THR B 70 -2.508 1.954 27.120 1.00 14.02 C ATOM 2904 HA THR B 70 -1.845 3.768 25.312 1.00 0.00 H ATOM 2905 HB THR B 70 -3.687 3.758 27.052 1.00 0.00 H ATOM 2906 HG1 THR B 70 -2.918 3.330 29.246 1.00 0.00 H ATOM 2907 HG23 THR B 70 -2.763 1.668 26.099 1.00 0.00 H ATOM 2908 HG21 THR B 70 -1.477 1.670 27.332 1.00 0.00 H ATOM 2909 HG22 THR B 70 -3.176 1.449 27.818 1.00 0.00 H ATOM 2910 H THR B 70 -0.017 4.497 27.599 1.00 0.00 H ATOM 2911 N ASN B 71 -1.152 6.512 25.708 1.00 12.54 N ATOM 2912 CA ASN B 71 -1.366 7.955 25.564 1.00 11.81 C ATOM 2913 C ASN B 71 -1.119 8.447 24.124 1.00 11.65 C ATOM 2914 O ASN B 71 -0.759 9.613 23.915 1.00 11.04 O ATOM 2915 CB ASN B 71 -0.488 8.733 26.563 1.00 12.43 C ATOM 2916 CG ASN B 71 1.003 8.530 26.310 1.00 13.98 C ATOM 2917 OD1 ASN B 71 1.413 7.529 25.706 1.00 16.47 O ATOM 2918 ND2 ASN B 71 1.819 9.496 26.756 1.00 17.10 N ATOM 2919 HA ASN B 71 -2.415 8.147 25.789 1.00 0.00 H ATOM 2920 HB2 ASN B 71 -0.716 9.795 26.476 1.00 0.00 H ATOM 2921 HB3 ASN B 71 -0.721 8.394 27.572 1.00 0.00 H ATOM 2922 HD22 ASN B 71 1.426 10.318 27.258 1.00 0.00 H ATOM 2923 HD21 ASN B 71 2.845 9.424 26.600 1.00 0.00 H ATOM 2924 H ASN B 71 -0.224 6.114 25.458 1.00 0.00 H ATOM 2925 N CYS B 72 -1.302 7.555 23.150 1.00 11.87 N ATOM 2926 CA CYS B 72 -1.081 7.908 21.737 1.00 12.07 C ATOM 2927 C CYS B 72 -2.357 8.209 20.989 1.00 12.33 C ATOM 2928 O CYS B 72 -3.411 7.620 21.265 1.00 12.41 O ATOM 2929 CB CYS B 72 -0.306 6.836 20.980 1.00 13.22 C ATOM 2930 SG CYS B 72 1.397 6.743 21.494 1.00 17.15 S ATOM 2931 HA CYS B 72 -0.484 8.819 21.778 1.00 0.00 H ATOM 2932 HB2 CYS B 72 -0.339 7.065 19.915 1.00 0.00 H ATOM 2933 HB3 CYS B 72 -0.779 5.870 21.157 1.00 0.00 H ATOM 2934 H CYS B 72 -1.607 6.591 23.393 1.00 0.00 H ATOM 2935 N TYR B 73 -2.222 9.101 20.008 1.00 11.88 N ATOM 2936 CA TYR B 73 -3.348 9.596 19.234 1.00 12.13 C ATOM 2937 C TYR B 73 -2.930 9.754 17.795 1.00 11.98 C ATOM 2938 O TYR B 73 -1.816 10.214 17.511 1.00 12.80 O ATOM 2939 CB TYR B 73 -3.825 10.940 19.769 1.00 12.22 C ATOM 2940 CG TYR B 73 -4.319 10.853 21.185 1.00 12.71 C ATOM 2941 CD1 TYR B 73 -3.424 10.934 22.238 1.00 13.66 C ATOM 2942 CD2 TYR B 73 -5.668 10.656 21.466 1.00 12.82 C ATOM 2943 CE1 TYR B 73 -3.846 10.830 23.553 1.00 13.67 C ATOM 2944 CE2 TYR B 73 -6.108 10.555 22.791 1.00 12.58 C ATOM 2945 CZ TYR B 73 -5.185 10.646 23.817 1.00 13.49 C ATOM 2946 OH TYR B 73 -5.610 10.552 25.124 1.00 14.91 O ATOM 2947 HA TYR B 73 -4.166 8.880 19.313 1.00 0.00 H ATOM 2948 HB3 TYR B 73 -4.637 11.300 19.137 1.00 0.00 H ATOM 2949 HB2 TYR B 73 -2.996 11.646 19.731 1.00 0.00 H ATOM 2950 HD2 TYR B 73 -6.386 10.580 20.649 1.00 0.00 H ATOM 2951 HE2 TYR B 73 -7.165 10.406 23.011 1.00 0.00 H ATOM 2952 HE1 TYR B 73 -3.127 10.893 24.369 1.00 0.00 H ATOM 2953 HD1 TYR B 73 -2.365 11.083 22.028 1.00 0.00 H ATOM 2954 HH TYR B 73 -4.832 10.636 25.730 1.00 0.00 H ATOM 2955 H TYR B 73 -1.271 9.458 19.787 1.00 0.00 H ATOM 2956 N GLN B 74 -3.840 9.375 16.903 1.00 12.38 N ATOM 2957 CA GLN B 74 -3.596 9.419 15.467 1.00 12.57 C ATOM 2958 C GLN B 74 -4.325 10.597 14.843 1.00 12.30 C ATOM 2959 O GLN B 74 -5.473 10.857 15.175 1.00 11.98 O ATOM 2960 CB GLN B 74 -4.097 8.122 14.823 1.00 12.87 C ATOM 2961 CG GLN B 74 -3.677 7.966 13.360 1.00 13.67 C ATOM 2962 CD GLN B 74 -3.940 6.567 12.816 1.00 14.62 C ATOM 2963 OE1 GLN B 74 -4.634 6.405 11.820 1.00 19.99 O ATOM 2964 NE2 GLN B 74 -3.376 5.557 13.464 1.00 18.18 N ATOM 2965 HA GLN B 74 -2.525 9.530 15.297 1.00 0.00 H ATOM 2966 HB2 GLN B 74 -3.699 7.279 15.388 1.00 0.00 H ATOM 2967 HB3 GLN B 74 -5.186 8.110 14.873 1.00 0.00 H ATOM 2968 HG2 GLN B 74 -4.235 8.684 12.759 1.00 0.00 H ATOM 2969 HG3 GLN B 74 -2.611 8.177 13.279 1.00 0.00 H ATOM 2970 HE22 GLN B 74 -2.794 5.740 14.306 1.00 0.00 H ATOM 2971 HE21 GLN B 74 -3.516 4.582 13.130 1.00 0.00 H ATOM 2972 H GLN B 74 -4.762 9.034 17.243 1.00 0.00 H ATOM 2973 N SER B 75 -3.674 11.315 13.933 1.00 11.81 N ATOM 2974 CA SER B 75 -4.356 12.422 13.284 1.00 12.51 C ATOM 2975 C SER B 75 -5.510 11.925 12.414 1.00 13.72 C ATOM 2976 O SER B 75 -5.403 10.879 11.769 1.00 14.36 O ATOM 2977 CB SER B 75 -3.389 13.258 12.441 1.00 12.24 C ATOM 2978 OG SER B 75 -2.794 12.496 11.403 1.00 12.08 O ATOM 2979 HA SER B 75 -4.761 13.056 14.073 1.00 0.00 H ATOM 2980 HB2 SER B 75 -2.603 13.646 13.088 1.00 0.00 H ATOM 2981 HB3 SER B 75 -3.937 14.090 11.998 1.00 0.00 H ATOM 2982 HG SER B 75 -3.501 12.145 10.806 1.00 0.00 H ATOM 2983 H SER B 75 -2.689 11.087 13.689 1.00 0.00 H ATOM 2984 N LYS B 76 -6.595 12.690 12.384 1.00 14.69 N ATOM 2985 CA LYS B 76 -7.767 12.335 11.573 1.00 15.64 C ATOM 2986 C LYS B 76 -7.483 12.447 10.085 1.00 15.17 C ATOM 2987 O LYS B 76 -8.093 11.747 9.271 1.00 15.93 O ATOM 2988 CB LYS B 76 -9.009 13.152 11.954 1.00 16.44 C ATOM 2989 CG LYS B 76 -8.762 14.590 12.402 1.00 19.44 C ATOM 2990 CD LYS B 76 -8.633 15.582 11.266 1.00 23.74 C ATOM 2991 CE LYS B 76 -8.767 17.015 11.779 1.00 25.74 C ATOM 2992 NZ LYS B 76 -10.107 17.275 12.395 1.00 27.32 N ATOM 2993 HA LYS B 76 -7.984 11.290 11.794 1.00 0.00 H ATOM 2994 HB2 LYS B 76 -9.666 13.183 11.085 1.00 0.00 H ATOM 2995 HB3 LYS B 76 -9.512 12.632 12.769 1.00 0.00 H ATOM 2996 HG2 LYS B 76 -9.595 14.899 13.033 1.00 0.00 H ATOM 2997 HG3 LYS B 76 -7.840 14.614 12.983 1.00 0.00 H ATOM 2998 HD2 LYS B 76 -7.658 15.461 10.794 1.00 0.00 H ATOM 2999 HD3 LYS B 76 -9.416 15.390 10.533 1.00 0.00 H ATOM 3000 HE2 LYS B 76 -8.626 17.701 10.944 1.00 0.00 H ATOM 3001 HE3 LYS B 76 -7.996 17.193 12.528 1.00 0.00 H ATOM 3002 HZ1 LYS B 76 -10.850 17.115 11.685 1.00 0.00 H ATOM 3003 HZ2 LYS B 76 -10.249 16.630 13.198 1.00 0.00 H ATOM 3004 HZ3 LYS B 76 -10.149 18.259 12.728 1.00 0.00 H ATOM 3005 H LYS B 76 -6.615 13.563 12.949 1.00 0.00 H ATOM 3006 N SER B 77 -6.568 13.337 9.727 1.00 14.17 N ATOM 3007 CA SER B 77 -6.177 13.476 8.343 1.00 13.94 C ATOM 3008 C SER B 77 -4.675 13.285 8.172 1.00 12.71 C ATOM 3009 O SER B 77 -3.906 13.340 9.129 1.00 11.63 O ATOM 3010 CB SER B 77 -6.610 14.838 7.805 1.00 14.37 C ATOM 3011 OG SER B 77 -8.012 15.004 7.935 1.00 16.78 O ATOM 3012 HA SER B 77 -6.679 12.697 7.769 1.00 0.00 H ATOM 3013 HB2 SER B 77 -6.337 14.911 6.752 1.00 0.00 H ATOM 3014 HB3 SER B 77 -6.103 15.623 8.366 1.00 0.00 H ATOM 3015 HG SER B 77 -8.272 15.891 7.581 1.00 0.00 H ATOM 3016 H SER B 77 -6.127 13.941 10.450 1.00 0.00 H ATOM 3017 N THR B 78 -4.261 13.040 6.935 1.00 12.52 N ATOM 3018 CA THR B 78 -2.840 13.032 6.623 1.00 11.48 C ATOM 3019 C THR B 78 -2.286 14.428 6.861 1.00 11.40 C ATOM 3020 O THR B 78 -3.017 15.430 6.795 1.00 10.45 O ATOM 3021 CB THR B 78 -2.568 12.570 5.170 1.00 11.26 C ATOM 3022 OG1 THR B 78 -3.129 13.511 4.255 1.00 12.87 O ATOM 3023 CG2 THR B 78 -3.163 11.171 4.937 1.00 11.15 C ATOM 3024 HA THR B 78 -2.339 12.315 7.273 1.00 0.00 H ATOM 3025 HB THR B 78 -1.492 12.516 5.006 1.00 0.00 H ATOM 3026 HG1 THR B 78 -2.716 14.399 4.401 1.00 0.00 H ATOM 3027 HG23 THR B 78 -2.723 10.468 5.644 1.00 0.00 H ATOM 3028 HG21 THR B 78 -4.242 11.208 5.083 1.00 0.00 H ATOM 3029 HG22 THR B 78 -2.944 10.849 3.919 1.00 0.00 H ATOM 3030 H THR B 78 -4.956 12.853 6.185 1.00 0.00 H ATOM 3031 N MET B 79 -0.997 14.471 7.169 1.00 10.58 N ATOM 3032 CA MET B 79 -0.286 15.712 7.380 1.00 10.76 C ATOM 3033 C MET B 79 0.945 15.723 6.514 1.00 10.88 C ATOM 3034 O MET B 79 1.490 14.661 6.163 1.00 10.47 O ATOM 3035 CB MET B 79 0.120 15.810 8.843 1.00 10.13 C ATOM 3036 CG MET B 79 -1.055 16.011 9.761 1.00 11.49 C ATOM 3037 SD MET B 79 -0.506 16.567 11.372 1.00 12.10 S ATOM 3038 CE MET B 79 -2.094 16.989 12.066 1.00 11.17 C ATOM 3039 HA MET B 79 -0.923 16.558 7.122 1.00 0.00 H ATOM 3040 HB2 MET B 79 0.630 14.889 9.126 1.00 0.00 H ATOM 3041 HB3 MET B 79 0.802 16.652 8.960 1.00 0.00 H ATOM 3042 HG2 MET B 79 -1.590 15.068 9.870 1.00 0.00 H ATOM 3043 HG3 MET B 79 -1.722 16.758 9.332 1.00 0.00 H ATOM 3044 HE1 MET B 79 -2.563 17.761 11.455 1.00 0.00 H ATOM 3045 HE2 MET B 79 -2.728 16.103 12.084 1.00 0.00 H ATOM 3046 HE3 MET B 79 -1.958 17.361 13.082 1.00 0.00 H ATOM 3047 H MET B 79 -0.476 13.576 7.263 1.00 0.00 H ATOM 3048 N ARG B 80 1.359 16.923 6.136 1.00 10.94 N ATOM 3049 CA ARG B 80 2.611 17.122 5.438 1.00 10.40 C ATOM 3050 C ARG B 80 3.746 17.001 6.445 1.00 9.51 C ATOM 3051 O ARG B 80 3.876 17.807 7.374 1.00 10.07 O ATOM 3052 CB ARG B 80 2.639 18.472 4.717 1.00 11.06 C ATOM 3053 CG ARG B 80 1.567 18.592 3.645 1.00 12.36 C ATOM 3054 CD ARG B 80 1.433 20.048 3.170 1.00 17.99 C ATOM 3055 NE ARG B 80 2.738 20.682 3.177 1.00 24.55 N ATOM 3056 CZ ARG B 80 3.121 21.645 4.015 1.00 22.98 C ATOM 3057 NH1 ARG B 80 2.271 22.167 4.903 1.00 26.00 N ATOM 3058 NH2 ARG B 80 4.362 22.108 3.927 1.00 26.09 N ATOM 3059 HA ARG B 80 2.727 16.360 4.667 1.00 0.00 H ATOM 3060 HB2 ARG B 80 2.487 19.262 5.452 1.00 0.00 H ATOM 3061 HB3 ARG B 80 3.615 18.596 4.249 1.00 0.00 H ATOM 3062 HG2 ARG B 80 1.837 17.962 2.797 1.00 0.00 H ATOM 3063 HG3 ARG B 80 0.613 18.260 4.054 1.00 0.00 H ATOM 3064 HD2 ARG B 80 0.763 20.588 3.839 1.00 0.00 H ATOM 3065 HD3 ARG B 80 1.026 20.064 2.159 1.00 0.00 H ATOM 3066 HE ARG B 80 3.430 20.359 2.471 1.00 0.00 H ATOM 3067 HH12 ARG B 80 2.589 22.918 5.548 1.00 0.00 H ATOM 3068 HH11 ARG B 80 1.291 21.823 4.949 1.00 0.00 H ATOM 3069 HH22 ARG B 80 4.684 22.859 4.570 1.00 0.00 H ATOM 3070 HH21 ARG B 80 5.013 21.719 3.215 1.00 0.00 H ATOM 3071 H ARG B 80 0.765 17.750 6.348 1.00 0.00 H ATOM 3072 N ILE B 81 4.551 15.967 6.257 1.00 9.33 N ATOM 3073 CA ILE B 81 5.703 15.705 7.129 1.00 8.79 C ATOM 3074 C ILE B 81 6.943 15.372 6.312 1.00 9.63 C ATOM 3075 O ILE B 81 6.854 15.078 5.109 1.00 8.98 O ATOM 3076 CB ILE B 81 5.394 14.567 8.149 1.00 9.18 C ATOM 3077 CG1 ILE B 81 5.404 13.211 7.445 1.00 7.97 C ATOM 3078 CG2 ILE B 81 4.104 14.888 8.928 1.00 8.91 C ATOM 3079 CD1 ILE B 81 4.944 12.028 8.312 1.00 9.93 C ATOM 3080 HA ILE B 81 5.902 16.616 7.693 1.00 0.00 H ATOM 3081 HB ILE B 81 6.178 14.504 8.904 1.00 0.00 H ATOM 3082 HG12 ILE B 81 4.744 13.274 6.580 1.00 0.00 H ATOM 3083 HG13 ILE B 81 6.422 13.010 7.111 1.00 0.00 H ATOM 3084 HD11 ILE B 81 5.600 11.937 9.178 1.00 0.00 H ATOM 3085 HD12 ILE B 81 3.921 12.200 8.646 1.00 0.00 H ATOM 3086 HD13 ILE B 81 4.986 11.111 7.725 1.00 0.00 H ATOM 3087 HG21 ILE B 81 4.231 15.827 9.467 1.00 0.00 H ATOM 3088 HG22 ILE B 81 3.272 14.978 8.229 1.00 0.00 H ATOM 3089 HG23 ILE B 81 3.900 14.085 9.637 1.00 0.00 H ATOM 3090 H ILE B 81 4.361 15.319 5.466 1.00 0.00 H ATOM 3091 N THR B 82 8.100 15.436 6.954 1.00 9.38 N ATOM 3092 CA THR B 82 9.346 15.032 6.331 1.00 10.39 C ATOM 3093 C THR B 82 10.056 14.017 7.212 1.00 12.13 C ATOM 3094 O THR B 82 10.303 14.278 8.392 1.00 11.23 O ATOM 3095 CB THR B 82 10.261 16.233 6.103 1.00 10.22 C ATOM 3096 OG1 THR B 82 9.623 17.145 5.200 1.00 9.60 O ATOM 3097 CG2 THR B 82 11.575 15.778 5.523 1.00 9.10 C ATOM 3098 HA THR B 82 9.113 14.585 5.364 1.00 0.00 H ATOM 3099 HB THR B 82 10.450 16.730 7.054 1.00 0.00 H ATOM 3100 HG1 THR B 82 8.766 17.449 5.591 1.00 0.00 H ATOM 3101 HG23 THR B 82 12.055 15.085 6.214 1.00 0.00 H ATOM 3102 HG21 THR B 82 11.397 15.279 4.571 1.00 0.00 H ATOM 3103 HG22 THR B 82 12.220 16.642 5.366 1.00 0.00 H ATOM 3104 H THR B 82 8.115 15.786 7.933 1.00 0.00 H ATOM 3105 N ASP B 83 10.370 12.849 6.651 1.00 15.62 N ATOM 3106 CA ASP B 83 11.150 11.866 7.384 1.00 17.07 C ATOM 3107 C ASP B 83 12.632 12.074 7.103 1.00 18.25 C ATOM 3108 O ASP B 83 13.045 12.234 5.947 1.00 18.60 O ATOM 3109 CB ASP B 83 10.757 10.430 6.989 1.00 18.07 C ATOM 3110 CG ASP B 83 9.435 9.985 7.605 1.00 19.24 C ATOM 3111 OD1 ASP B 83 9.010 10.522 8.658 1.00 20.78 O ATOM 3112 OD2 ASP B 83 8.829 9.038 7.046 1.00 24.25 O ATOM 3113 HA ASP B 83 10.946 12.000 8.446 1.00 0.00 H ATOM 3114 HB2 ASP B 83 10.670 10.379 5.904 1.00 0.00 H ATOM 3115 HB3 ASP B 83 11.542 9.751 7.321 1.00 0.00 H ATOM 3116 H ASP B 83 10.055 12.640 5.682 1.00 0.00 H ATOM 3117 N CYS B 84 13.421 12.115 8.173 1.00 18.21 N ATOM 3118 CA CYS B 84 14.862 12.235 8.070 1.00 18.92 C ATOM 3119 C CYS B 84 15.442 10.922 8.551 1.00 19.31 C ATOM 3120 O CYS B 84 15.245 10.512 9.697 1.00 19.32 O ATOM 3121 CB CYS B 84 15.368 13.397 8.925 1.00 18.44 C ATOM 3122 SG CYS B 84 14.728 14.975 8.380 1.00 19.55 S ATOM 3123 HA CYS B 84 15.165 12.441 7.043 1.00 0.00 H ATOM 3124 HB2 CYS B 84 16.456 13.423 8.871 1.00 0.00 H ATOM 3125 HB3 CYS B 84 15.060 13.232 9.958 1.00 0.00 H ATOM 3126 H CYS B 84 12.989 12.059 9.117 1.00 0.00 H ATOM 3127 N ARG B 85 16.124 10.236 7.654 1.00 20.27 N ATOM 3128 CA ARG B 85 16.645 8.918 7.988 1.00 21.61 C ATOM 3129 C ARG B 85 18.124 8.901 7.692 1.00 21.35 C ATOM 3130 O ARG B 85 18.542 9.253 6.589 1.00 21.09 O ATOM 3131 CB ARG B 85 15.876 7.817 7.246 1.00 21.67 C ATOM 3132 CG ARG B 85 14.426 7.702 7.733 1.00 25.83 C ATOM 3133 CD ARG B 85 13.772 6.378 7.411 1.00 30.59 C ATOM 3134 NE ARG B 85 12.860 5.968 8.486 1.00 34.68 N ATOM 3135 CZ ARG B 85 11.555 6.234 8.513 1.00 35.68 C ATOM 3136 NH1 ARG B 85 10.988 6.892 7.517 1.00 36.78 N ATOM 3137 NH2 ARG B 85 10.814 5.830 9.536 1.00 38.06 N ATOM 3138 HA ARG B 85 16.503 8.712 9.049 1.00 0.00 H ATOM 3139 HB2 ARG B 85 15.873 8.046 6.180 1.00 0.00 H ATOM 3140 HB3 ARG B 85 16.379 6.864 7.410 1.00 0.00 H ATOM 3141 HG2 ARG B 85 14.416 7.835 8.815 1.00 0.00 H ATOM 3142 HG3 ARG B 85 13.843 8.495 7.265 1.00 0.00 H ATOM 3143 HD2 ARG B 85 14.544 5.619 7.289 1.00 0.00 H ATOM 3144 HD3 ARG B 85 13.209 6.474 6.483 1.00 0.00 H ATOM 3145 HE ARG B 85 13.261 5.432 9.282 1.00 0.00 H ATOM 3146 HH12 ARG B 85 9.969 7.097 7.543 1.00 0.00 H ATOM 3147 HH11 ARG B 85 11.561 7.205 6.707 1.00 0.00 H ATOM 3148 HH22 ARG B 85 9.795 6.039 9.555 1.00 0.00 H ATOM 3149 HH21 ARG B 85 11.252 5.304 10.319 1.00 0.00 H ATOM 3150 H ARG B 85 16.289 10.636 6.709 1.00 0.00 H ATOM 3151 N GLU B 86 18.909 8.549 8.709 1.00 21.74 N ATOM 3152 CA GLU B 86 20.359 8.462 8.591 1.00 22.53 C ATOM 3153 C GLU B 86 20.742 7.446 7.515 1.00 22.54 C ATOM 3154 O GLU B 86 20.224 6.335 7.496 1.00 22.83 O ATOM 3155 CB GLU B 86 20.964 8.073 9.938 1.00 22.30 C ATOM 3156 CG GLU B 86 22.455 7.860 9.911 1.00 24.40 C ATOM 3157 CD GLU B 86 23.073 7.778 11.287 1.00 24.48 C ATOM 3158 OE1 GLU B 86 22.449 7.189 12.205 1.00 24.46 O ATOM 3159 OE2 GLU B 86 24.197 8.303 11.435 1.00 24.14 O ATOM 3160 HA GLU B 86 20.753 9.435 8.298 1.00 0.00 H ATOM 3161 HB2 GLU B 86 20.745 8.867 10.652 1.00 0.00 H ATOM 3162 HB3 GLU B 86 20.493 7.148 10.269 1.00 0.00 H ATOM 3163 HG2 GLU B 86 22.662 6.929 9.383 1.00 0.00 H ATOM 3164 HG3 GLU B 86 22.914 8.691 9.375 1.00 0.00 H ATOM 3165 H GLU B 86 18.469 8.327 9.625 1.00 0.00 H ATOM 3166 N THR B 87 21.630 7.855 6.615 1.00 22.84 N ATOM 3167 CA THR B 87 22.082 6.995 5.515 1.00 24.29 C ATOM 3168 C THR B 87 23.121 5.986 6.005 1.00 24.49 C ATOM 3169 O THR B 87 23.700 6.153 7.078 1.00 24.83 O ATOM 3170 CB THR B 87 22.706 7.818 4.379 1.00 23.98 C ATOM 3171 OG1 THR B 87 23.854 8.515 4.879 1.00 25.47 O ATOM 3172 CG2 THR B 87 21.692 8.827 3.809 1.00 25.37 C ATOM 3173 HA THR B 87 21.202 6.472 5.141 1.00 0.00 H ATOM 3174 HB THR B 87 23.001 7.142 3.577 1.00 0.00 H ATOM 3175 HG1 THR B 87 24.259 9.047 4.149 1.00 0.00 H ATOM 3176 HG23 THR B 87 20.822 8.291 3.431 1.00 0.00 H ATOM 3177 HG21 THR B 87 21.383 9.514 4.597 1.00 0.00 H ATOM 3178 HG22 THR B 87 22.156 9.388 2.998 1.00 0.00 H ATOM 3179 H THR B 87 22.018 8.817 6.693 1.00 0.00 H ATOM 3180 N GLY B 88 23.354 4.943 5.211 1.00 25.16 N ATOM 3181 CA GLY B 88 24.366 3.937 5.533 1.00 25.91 C ATOM 3182 C GLY B 88 25.774 4.507 5.495 1.00 26.41 C ATOM 3183 O GLY B 88 26.671 4.032 6.200 1.00 26.73 O ATOM 3184 HA3 GLY B 88 24.296 3.124 4.810 1.00 0.00 H ATOM 3185 HA2 GLY B 88 24.171 3.550 6.533 1.00 0.00 H ATOM 3186 H GLY B 88 22.800 4.841 4.337 1.00 0.00 H ATOM 3187 N SER B 89 25.951 5.534 4.666 1.00 26.92 N ATOM 3188 CA SER B 89 27.212 6.254 4.531 1.00 27.56 C ATOM 3189 C SER B 89 27.489 7.144 5.739 1.00 27.24 C ATOM 3190 O SER B 89 28.649 7.378 6.086 1.00 27.24 O ATOM 3191 CB SER B 89 27.184 7.123 3.273 1.00 27.96 C ATOM 3192 OG SER B 89 26.325 6.573 2.288 1.00 29.68 O ATOM 3193 HA SER B 89 28.005 5.510 4.461 1.00 0.00 H ATOM 3194 HB2 SER B 89 28.193 7.193 2.866 1.00 0.00 H ATOM 3195 HB3 SER B 89 26.830 8.120 3.537 1.00 0.00 H ATOM 3196 HG SER B 89 26.327 7.155 1.487 1.00 0.00 H ATOM 3197 H SER B 89 25.146 5.839 4.083 1.00 0.00 H ATOM 3198 N SER B 90 26.420 7.641 6.362 1.00 27.10 N ATOM 3199 CA SER B 90 26.514 8.575 7.484 1.00 26.69 C ATOM 3200 C SER B 90 27.395 8.037 8.599 1.00 26.79 C ATOM 3201 O SER B 90 27.216 6.904 9.052 1.00 26.62 O ATOM 3202 CB SER B 90 25.122 8.883 8.035 1.00 26.56 C ATOM 3203 OG SER B 90 25.171 9.570 9.281 1.00 25.38 O ATOM 3204 HA SER B 90 26.971 9.489 7.106 1.00 0.00 H ATOM 3205 HB2 SER B 90 24.584 7.945 8.173 1.00 0.00 H ATOM 3206 HB3 SER B 90 24.589 9.503 7.314 1.00 0.00 H ATOM 3207 HG SER B 90 25.647 9.012 9.946 1.00 0.00 H ATOM 3208 H SER B 90 25.476 7.351 6.035 1.00 0.00 H ATOM 3209 N LYS B 91 28.343 8.865 9.030 1.00 26.98 N ATOM 3210 CA LYS B 91 29.209 8.541 10.155 1.00 27.50 C ATOM 3211 C LYS B 91 29.408 9.789 11.016 1.00 27.60 C ATOM 3212 O LYS B 91 29.843 10.832 10.515 1.00 27.79 O ATOM 3213 CB LYS B 91 30.562 8.011 9.654 1.00 27.63 C ATOM 3214 CG LYS B 91 31.088 6.762 10.378 1.00 28.11 C ATOM 3215 CD LYS B 91 31.251 6.966 11.891 1.00 28.91 C ATOM 3216 CE LYS B 91 31.771 5.707 12.580 1.00 29.04 C ATOM 3217 NZ LYS B 91 33.203 5.402 12.254 1.00 29.39 N ATOM 3218 HA LYS B 91 28.742 7.761 10.757 1.00 0.00 H ATOM 3219 HB2 LYS B 91 30.458 7.769 8.596 1.00 0.00 H ATOM 3220 HB3 LYS B 91 31.300 8.805 9.773 1.00 0.00 H ATOM 3221 HG2 LYS B 91 30.388 5.944 10.212 1.00 0.00 H ATOM 3222 HG3 LYS B 91 32.058 6.499 9.957 1.00 0.00 H ATOM 3223 HD2 LYS B 91 31.955 7.780 12.064 1.00 0.00 H ATOM 3224 HD3 LYS B 91 30.283 7.228 12.318 1.00 0.00 H ATOM 3225 HE2 LYS B 91 31.157 4.862 12.268 1.00 0.00 H ATOM 3226 HE3 LYS B 91 31.682 5.840 13.658 1.00 0.00 H ATOM 3227 HZ1 LYS B 91 33.302 5.262 11.228 1.00 0.00 H ATOM 3228 HZ2 LYS B 91 33.803 6.196 12.556 1.00 0.00 H ATOM 3229 HZ3 LYS B 91 33.494 4.537 12.752 1.00 0.00 H ATOM 3230 H LYS B 91 28.470 9.777 8.546 1.00 0.00 H ATOM 3231 N TYR B 92 29.077 9.678 12.303 1.00 27.35 N ATOM 3232 CA TYR B 92 29.269 10.771 13.261 1.00 27.70 C ATOM 3233 C TYR B 92 30.736 11.233 13.270 1.00 27.78 C ATOM 3234 O TYR B 92 31.635 10.391 13.244 1.00 28.09 O ATOM 3235 CB TYR B 92 28.831 10.337 14.670 1.00 27.33 C ATOM 3236 CG TYR B 92 28.969 11.431 15.703 1.00 27.52 C ATOM 3237 CD1 TYR B 92 27.962 12.377 15.875 1.00 27.51 C ATOM 3238 CD2 TYR B 92 30.119 11.543 16.492 1.00 27.58 C ATOM 3239 CE1 TYR B 92 28.084 13.399 16.804 1.00 27.60 C ATOM 3240 CE2 TYR B 92 30.249 12.569 17.432 1.00 27.37 C ATOM 3241 CZ TYR B 92 29.222 13.492 17.576 1.00 27.59 C ATOM 3242 OH TYR B 92 29.325 14.508 18.495 1.00 28.17 O ATOM 3243 HA TYR B 92 28.648 11.611 12.951 1.00 0.00 H ATOM 3244 HB3 TYR B 92 29.445 9.491 14.978 1.00 0.00 H ATOM 3245 HB2 TYR B 92 27.786 10.030 14.628 1.00 0.00 H ATOM 3246 HD2 TYR B 92 30.925 10.819 16.372 1.00 0.00 H ATOM 3247 HE2 TYR B 92 31.147 12.644 18.045 1.00 0.00 H ATOM 3248 HE1 TYR B 92 27.282 14.127 16.924 1.00 0.00 H ATOM 3249 HD1 TYR B 92 27.060 12.313 15.267 1.00 0.00 H ATOM 3250 HH TYR B 92 28.508 15.066 18.461 1.00 0.00 H ATOM 3251 H TYR B 92 28.668 8.783 12.640 1.00 0.00 H ATOM 3252 N PRO B 93 30.986 12.565 13.327 1.00 28.08 N ATOM 3253 CA PRO B 93 30.027 13.663 13.496 1.00 28.23 C ATOM 3254 C PRO B 93 29.401 14.183 12.209 1.00 28.52 C ATOM 3255 O PRO B 93 28.568 15.093 12.256 1.00 29.10 O ATOM 3256 CB PRO B 93 30.863 14.758 14.161 1.00 28.18 C ATOM 3257 CG PRO B 93 32.270 14.500 13.709 1.00 28.21 C ATOM 3258 CD PRO B 93 32.368 13.074 13.210 1.00 28.12 C ATOM 3259 HA PRO B 93 29.165 13.325 14.071 1.00 0.00 H ATOM 3260 HD3 PRO B 93 32.706 13.047 12.174 1.00 0.00 H ATOM 3261 HD2 PRO B 93 33.051 12.492 13.829 1.00 0.00 H ATOM 3262 HG3 PRO B 93 32.956 14.644 14.544 1.00 0.00 H ATOM 3263 HG2 PRO B 93 32.529 15.189 12.905 1.00 0.00 H ATOM 3264 HB2 PRO B 93 30.531 15.744 13.837 1.00 0.00 H ATOM 3265 HB3 PRO B 93 30.790 14.690 15.246 1.00 0.00 H ATOM 3266 N ASN B 94 29.779 13.598 11.078 1.00 28.61 N ATOM 3267 CA ASN B 94 29.239 14.000 9.782 1.00 28.77 C ATOM 3268 C ASN B 94 27.915 13.288 9.506 1.00 28.39 C ATOM 3269 O ASN B 94 27.839 12.372 8.675 1.00 28.88 O ATOM 3270 CB ASN B 94 30.269 13.737 8.685 1.00 28.94 C ATOM 3271 CG ASN B 94 31.604 14.382 8.989 1.00 29.45 C ATOM 3272 OD1 ASN B 94 32.578 13.700 9.324 1.00 30.57 O ATOM 3273 ND2 ASN B 94 31.647 15.709 8.912 1.00 30.21 N ATOM 3274 HA ASN B 94 29.031 15.070 9.795 1.00 0.00 H ATOM 3275 HB2 ASN B 94 30.412 12.661 8.588 1.00 0.00 H ATOM 3276 HB3 ASN B 94 29.891 14.138 7.745 1.00 0.00 H ATOM 3277 HD22 ASN B 94 30.801 16.241 8.625 1.00 0.00 H ATOM 3278 HD21 ASN B 94 32.527 16.215 9.139 1.00 0.00 H ATOM 3279 H ASN B 94 30.480 12.831 11.117 1.00 0.00 H ATOM 3280 N CYS B 95 26.882 13.712 10.232 1.00 27.47 N ATOM 3281 CA CYS B 95 25.578 13.069 10.182 1.00 26.14 C ATOM 3282 C CYS B 95 24.872 13.365 8.870 1.00 26.28 C ATOM 3283 O CYS B 95 24.459 14.505 8.606 1.00 26.79 O ATOM 3284 CB CYS B 95 24.721 13.493 11.376 1.00 25.49 C ATOM 3285 SG CYS B 95 25.407 13.023 12.970 1.00 23.33 S ATOM 3286 HA CYS B 95 25.730 11.991 10.240 1.00 0.00 H ATOM 3287 HB2 CYS B 95 23.739 13.031 11.275 1.00 0.00 H ATOM 3288 HB3 CYS B 95 24.615 14.578 11.354 1.00 0.00 H ATOM 3289 H CYS B 95 27.012 14.533 10.857 1.00 0.00 H ATOM 3290 N ALA B 96 24.737 12.326 8.054 1.00 25.11 N ATOM 3291 CA ALA B 96 24.072 12.439 6.766 1.00 24.18 C ATOM 3292 C ALA B 96 22.701 11.786 6.820 1.00 23.42 C ATOM 3293 O ALA B 96 22.531 10.699 7.390 1.00 23.40 O ATOM 3294 CB ALA B 96 24.917 11.817 5.676 1.00 24.38 C ATOM 3295 HA ALA B 96 23.941 13.496 6.535 1.00 0.00 H ATOM 3296 HB1 ALA B 96 25.877 12.330 5.625 1.00 0.00 H ATOM 3297 HB2 ALA B 96 25.078 10.763 5.900 1.00 0.00 H ATOM 3298 HB3 ALA B 96 24.402 11.912 4.720 1.00 0.00 H ATOM 3299 H ALA B 96 25.119 11.403 8.345 1.00 0.00 H ATOM 3300 N TYR B 97 21.730 12.464 6.217 1.00 22.14 N ATOM 3301 CA TYR B 97 20.354 12.012 6.166 1.00 21.25 C ATOM 3302 C TYR B 97 19.804 12.020 4.754 1.00 21.49 C ATOM 3303 O TYR B 97 20.194 12.845 3.918 1.00 21.41 O ATOM 3304 CB TYR B 97 19.468 12.927 7.035 1.00 21.09 C ATOM 3305 CG TYR B 97 19.782 12.799 8.500 1.00 19.20 C ATOM 3306 CD1 TYR B 97 19.133 11.850 9.283 1.00 19.78 C ATOM 3307 CD2 TYR B 97 20.754 13.603 9.092 1.00 19.04 C ATOM 3308 CE1 TYR B 97 19.451 11.700 10.615 1.00 20.24 C ATOM 3309 CE2 TYR B 97 21.075 13.474 10.421 1.00 18.25 C ATOM 3310 CZ TYR B 97 20.426 12.517 11.180 1.00 21.42 C ATOM 3311 OH TYR B 97 20.738 12.384 12.505 1.00 20.63 O ATOM 3312 HA TYR B 97 20.341 10.988 6.540 1.00 0.00 H ATOM 3313 HB3 TYR B 97 18.424 12.659 6.875 1.00 0.00 H ATOM 3314 HB2 TYR B 97 19.627 13.962 6.731 1.00 0.00 H ATOM 3315 HD2 TYR B 97 21.270 14.349 8.488 1.00 0.00 H ATOM 3316 HE2 TYR B 97 21.831 14.117 10.872 1.00 0.00 H ATOM 3317 HE1 TYR B 97 18.944 10.949 11.221 1.00 0.00 H ATOM 3318 HD1 TYR B 97 18.364 11.218 8.838 1.00 0.00 H ATOM 3319 HH TYR B 97 20.189 11.661 12.901 1.00 0.00 H ATOM 3320 H TYR B 97 21.970 13.366 5.758 1.00 0.00 H ATOM 3321 N LYS B 98 18.899 11.085 4.503 1.00 21.38 N ATOM 3322 CA LYS B 98 17.995 11.165 3.370 1.00 22.25 C ATOM 3323 C LYS B 98 16.716 11.877 3.814 1.00 20.89 C ATOM 3324 O LYS B 98 16.190 11.617 4.901 1.00 21.19 O ATOM 3325 CB LYS B 98 17.637 9.772 2.873 1.00 22.46 C ATOM 3326 CG LYS B 98 16.724 9.762 1.653 1.00 27.17 C ATOM 3327 CD LYS B 98 15.857 8.510 1.648 1.00 30.94 C ATOM 3328 CE LYS B 98 15.082 8.406 0.367 1.00 33.10 C ATOM 3329 NZ LYS B 98 15.948 7.990 -0.765 1.00 36.64 N ATOM 3330 HA LYS B 98 18.482 11.713 2.563 1.00 0.00 H ATOM 3331 HB2 LYS B 98 18.560 9.253 2.614 1.00 0.00 H ATOM 3332 HB3 LYS B 98 17.136 9.239 3.681 1.00 0.00 H ATOM 3333 HG2 LYS B 98 16.083 10.643 1.677 1.00 0.00 H ATOM 3334 HG3 LYS B 98 17.332 9.781 0.749 1.00 0.00 H ATOM 3335 HD2 LYS B 98 16.495 7.632 1.753 1.00 0.00 H ATOM 3336 HD3 LYS B 98 15.161 8.553 2.485 1.00 0.00 H ATOM 3337 HE2 LYS B 98 14.644 9.378 0.139 1.00 0.00 H ATOM 3338 HE3 LYS B 98 14.287 7.671 0.493 1.00 0.00 H ATOM 3339 HZ1 LYS B 98 16.706 8.690 -0.896 1.00 0.00 H ATOM 3340 HZ2 LYS B 98 16.365 7.060 -0.557 1.00 0.00 H ATOM 3341 HZ3 LYS B 98 15.377 7.929 -1.632 1.00 0.00 H ATOM 3342 H LYS B 98 18.834 10.265 5.140 1.00 0.00 H ATOM 3343 N THR B 99 16.225 12.758 2.948 1.00 19.91 N ATOM 3344 CA THR B 99 15.006 13.519 3.175 1.00 19.42 C ATOM 3345 C THR B 99 13.884 12.931 2.333 1.00 19.27 C ATOM 3346 O THR B 99 14.024 12.802 1.112 1.00 19.61 O ATOM 3347 CB THR B 99 15.223 14.984 2.725 1.00 18.69 C ATOM 3348 OG1 THR B 99 16.264 15.569 3.513 1.00 19.40 O ATOM 3349 CG2 THR B 99 13.951 15.821 2.834 1.00 18.55 C ATOM 3350 HA THR B 99 14.751 13.480 4.234 1.00 0.00 H ATOM 3351 HB THR B 99 15.506 14.972 1.673 1.00 0.00 H ATOM 3352 HG1 THR B 99 17.100 15.055 3.387 1.00 0.00 H ATOM 3353 HG23 THR B 99 13.166 15.366 2.230 1.00 0.00 H ATOM 3354 HG21 THR B 99 13.633 15.862 3.876 1.00 0.00 H ATOM 3355 HG22 THR B 99 14.150 16.830 2.474 1.00 0.00 H ATOM 3356 H THR B 99 16.741 12.912 2.058 1.00 0.00 H ATOM 3357 N THR B 100 12.780 12.569 2.985 1.00 18.63 N ATOM 3358 CA THR B 100 11.628 12.005 2.277 1.00 18.91 C ATOM 3359 C THR B 100 10.400 12.826 2.622 1.00 18.17 C ATOM 3360 O THR B 100 9.987 12.909 3.793 1.00 18.90 O ATOM 3361 CB THR B 100 11.381 10.509 2.601 1.00 20.11 C ATOM 3362 OG1 THR B 100 12.536 9.747 2.247 1.00 20.21 O ATOM 3363 CG2 THR B 100 10.184 9.952 1.807 1.00 21.50 C ATOM 3364 HA THR B 100 11.840 12.050 1.209 1.00 0.00 H ATOM 3365 HB THR B 100 11.171 10.432 3.668 1.00 0.00 H ATOM 3366 HG1 THR B 100 13.316 10.072 2.763 1.00 0.00 H ATOM 3367 HG23 THR B 100 9.287 10.518 2.060 1.00 0.00 H ATOM 3368 HG21 THR B 100 10.384 10.043 0.739 1.00 0.00 H ATOM 3369 HG22 THR B 100 10.037 8.903 2.062 1.00 0.00 H ATOM 3370 H THR B 100 12.735 12.689 4.017 1.00 0.00 H ATOM 3371 N GLN B 101 9.830 13.447 1.604 1.00 16.75 N ATOM 3372 CA GLN B 101 8.618 14.217 1.807 1.00 15.95 C ATOM 3373 C GLN B 101 7.428 13.277 1.718 1.00 14.39 C ATOM 3374 O GLN B 101 7.270 12.521 0.745 1.00 14.07 O ATOM 3375 CB GLN B 101 8.562 15.408 0.845 1.00 16.98 C ATOM 3376 CG GLN B 101 9.893 16.187 0.877 1.00 19.69 C ATOM 3377 CD GLN B 101 9.775 17.687 0.642 1.00 22.64 C ATOM 3378 OE1 GLN B 101 8.708 18.280 0.796 1.00 24.72 O ATOM 3379 NE2 GLN B 101 10.892 18.310 0.291 1.00 24.87 N ATOM 3380 HA GLN B 101 8.599 14.665 2.801 1.00 0.00 H ATOM 3381 HB2 GLN B 101 8.382 15.045 -0.167 1.00 0.00 H ATOM 3382 HB3 GLN B 101 7.750 16.072 1.141 1.00 0.00 H ATOM 3383 HG2 GLN B 101 10.350 16.034 1.855 1.00 0.00 H ATOM 3384 HG3 GLN B 101 10.543 15.775 0.105 1.00 0.00 H ATOM 3385 HE22 GLN B 101 11.773 17.770 0.172 1.00 0.00 H ATOM 3386 HE21 GLN B 101 10.887 19.338 0.135 1.00 0.00 H ATOM 3387 H GLN B 101 10.252 13.383 0.655 1.00 0.00 H ATOM 3388 N VAL B 102 6.624 13.288 2.767 1.00 13.03 N ATOM 3389 CA VAL B 102 5.528 12.353 2.893 1.00 12.30 C ATOM 3390 C VAL B 102 4.253 13.036 3.339 1.00 11.10 C ATOM 3391 O VAL B 102 4.292 14.083 3.988 1.00 9.68 O ATOM 3392 CB VAL B 102 5.906 11.083 3.786 1.00 13.93 C ATOM 3393 CG1 VAL B 102 7.336 11.121 4.296 1.00 15.63 C ATOM 3394 CG2 VAL B 102 4.932 10.830 4.902 1.00 13.86 C ATOM 3395 HA VAL B 102 5.330 11.959 1.896 1.00 0.00 H ATOM 3396 HB VAL B 102 5.832 10.233 3.108 1.00 0.00 H ATOM 3397 HG11 VAL B 102 8.022 11.147 3.449 1.00 0.00 H ATOM 3398 HG12 VAL B 102 7.478 12.011 4.908 1.00 0.00 H ATOM 3399 HG13 VAL B 102 7.530 10.232 4.895 1.00 0.00 H ATOM 3400 HG21 VAL B 102 4.902 11.698 5.561 1.00 0.00 H ATOM 3401 HG22 VAL B 102 3.940 10.655 4.484 1.00 0.00 H ATOM 3402 HG23 VAL B 102 5.249 9.954 5.468 1.00 0.00 H ATOM 3403 H VAL B 102 6.784 13.987 3.521 1.00 0.00 H ATOM 3404 N GLU B 103 3.121 12.442 2.969 1.00 9.89 N ATOM 3405 CA GLU B 103 1.822 12.853 3.489 1.00 10.10 C ATOM 3406 C GLU B 103 1.165 11.614 4.074 1.00 10.83 C ATOM 3407 O GLU B 103 0.635 10.764 3.350 1.00 10.66 O ATOM 3408 CB GLU B 103 0.971 13.543 2.410 1.00 10.29 C ATOM 3409 CG GLU B 103 1.532 14.895 2.073 1.00 12.66 C ATOM 3410 CD GLU B 103 0.672 15.717 1.138 1.00 14.47 C ATOM 3411 OE1 GLU B 103 -0.538 15.871 1.396 1.00 15.11 O ATOM 3412 OE2 GLU B 103 1.239 16.263 0.176 1.00 17.77 O ATOM 3413 HA GLU B 103 1.932 13.605 4.270 1.00 0.00 H ATOM 3414 HB2 GLU B 103 0.962 12.925 1.512 1.00 0.00 H ATOM 3415 HB3 GLU B 103 -0.048 13.660 2.779 1.00 0.00 H ATOM 3416 HG2 GLU B 103 1.656 15.453 3.001 1.00 0.00 H ATOM 3417 HG3 GLU B 103 2.505 14.752 1.604 1.00 0.00 H ATOM 3418 H GLU B 103 3.164 11.659 2.286 1.00 0.00 H ATOM 3419 N LYS B 104 1.257 11.509 5.398 1.00 11.08 N ATOM 3420 CA LYS B 104 0.715 10.380 6.149 1.00 11.76 C ATOM 3421 C LYS B 104 0.032 10.895 7.403 1.00 11.44 C ATOM 3422 O LYS B 104 0.242 12.042 7.820 1.00 11.08 O ATOM 3423 CB LYS B 104 1.832 9.400 6.538 1.00 11.83 C ATOM 3424 CG LYS B 104 2.291 8.477 5.394 1.00 13.55 C ATOM 3425 CD LYS B 104 3.567 7.712 5.755 1.00 13.82 C ATOM 3426 CE LYS B 104 4.217 7.103 4.515 1.00 17.39 C ATOM 3427 NZ LYS B 104 5.449 6.312 4.850 1.00 20.29 N ATOM 3428 HA LYS B 104 -0.005 9.854 5.522 1.00 0.00 H ATOM 3429 HB2 LYS B 104 2.692 9.978 6.876 1.00 0.00 H ATOM 3430 HB3 LYS B 104 1.470 8.777 7.356 1.00 0.00 H ATOM 3431 HG2 LYS B 104 1.499 7.760 5.180 1.00 0.00 H ATOM 3432 HG3 LYS B 104 2.481 9.082 4.507 1.00 0.00 H ATOM 3433 HD2 LYS B 104 4.272 8.398 6.225 1.00 0.00 H ATOM 3434 HD3 LYS B 104 3.317 6.914 6.454 1.00 0.00 H ATOM 3435 HE2 LYS B 104 4.491 7.907 3.831 1.00 0.00 H ATOM 3436 HE3 LYS B 104 3.498 6.444 4.029 1.00 0.00 H ATOM 3437 HZ1 LYS B 104 6.145 6.934 5.308 1.00 0.00 H ATOM 3438 HZ2 LYS B 104 5.197 5.537 5.497 1.00 0.00 H ATOM 3439 HZ3 LYS B 104 5.855 5.918 3.977 1.00 0.00 H ATOM 3440 H LYS B 104 1.738 12.267 5.923 1.00 0.00 H ATOM 3441 N HIS B 105 -0.811 10.048 7.985 1.00 11.33 N ATOM 3442 CA HIS B 105 -1.351 10.306 9.322 1.00 11.44 C ATOM 3443 C HIS B 105 -0.204 10.185 10.322 1.00 11.30 C ATOM 3444 O HIS B 105 0.644 9.314 10.173 1.00 12.60 O ATOM 3445 CB HIS B 105 -2.463 9.292 9.642 1.00 11.71 C ATOM 3446 CG HIS B 105 -3.635 9.349 8.708 1.00 12.78 C ATOM 3447 ND1 HIS B 105 -4.765 10.089 8.980 1.00 15.40 N ATOM 3448 CD2 HIS B 105 -3.862 8.737 7.521 1.00 15.28 C ATOM 3449 CE1 HIS B 105 -5.634 9.940 7.992 1.00 16.81 C ATOM 3450 NE2 HIS B 105 -5.106 9.125 7.093 1.00 15.02 N ATOM 3451 HA HIS B 105 -1.785 11.304 9.376 1.00 0.00 H ATOM 3452 HB2 HIS B 105 -2.036 8.290 9.595 1.00 0.00 H ATOM 3453 HB3 HIS B 105 -2.822 9.485 10.653 1.00 0.00 H ATOM 3454 HD2 HIS B 105 -3.182 8.061 7.002 1.00 0.00 H ATOM 3455 HE1 HIS B 105 -6.616 10.409 7.930 1.00 0.00 H ATOM 3456 H HIS B 105 -1.093 9.184 7.480 1.00 0.00 H ATOM 3457 N ILE B 106 -0.158 11.058 11.329 1.00 10.72 N ATOM 3458 CA ILE B 106 0.876 10.951 12.369 1.00 10.02 C ATOM 3459 C ILE B 106 0.260 10.384 13.640 1.00 9.84 C ATOM 3460 O ILE B 106 -0.938 10.507 13.861 1.00 9.92 O ATOM 3461 CB ILE B 106 1.571 12.292 12.685 1.00 10.76 C ATOM 3462 CG1 ILE B 106 0.578 13.277 13.311 1.00 11.08 C ATOM 3463 CG2 ILE B 106 2.227 12.861 11.414 1.00 11.32 C ATOM 3464 CD1 ILE B 106 1.223 14.553 13.865 1.00 11.31 C ATOM 3465 HA ILE B 106 1.646 10.285 11.980 1.00 0.00 H ATOM 3466 HB ILE B 106 2.361 12.123 13.416 1.00 0.00 H ATOM 3467 HG12 ILE B 106 -0.147 13.563 12.549 1.00 0.00 H ATOM 3468 HG13 ILE B 106 0.063 12.771 14.128 1.00 0.00 H ATOM 3469 HD11 ILE B 106 1.943 14.288 14.639 1.00 0.00 H ATOM 3470 HD12 ILE B 106 1.733 15.081 13.059 1.00 0.00 H ATOM 3471 HD13 ILE B 106 0.451 15.194 14.289 1.00 0.00 H ATOM 3472 HG21 ILE B 106 2.967 12.153 11.041 1.00 0.00 H ATOM 3473 HG22 ILE B 106 1.463 13.024 10.654 1.00 0.00 H ATOM 3474 HG23 ILE B 106 2.714 13.807 11.650 1.00 0.00 H ATOM 3475 H ILE B 106 -0.861 11.823 11.379 1.00 0.00 H ATOM 3476 N ILE B 107 1.092 9.723 14.436 1.00 9.62 N ATOM 3477 CA ILE B 107 0.690 9.250 15.757 1.00 9.59 C ATOM 3478 C ILE B 107 1.657 9.897 16.725 1.00 9.76 C ATOM 3479 O ILE B 107 2.874 9.757 16.581 1.00 9.33 O ATOM 3480 CB ILE B 107 0.777 7.712 15.875 1.00 9.61 C ATOM 3481 CG1 ILE B 107 -0.177 7.058 14.854 1.00 10.90 C ATOM 3482 CG2 ILE B 107 0.460 7.248 17.324 1.00 9.95 C ATOM 3483 CD1 ILE B 107 -0.007 5.566 14.711 1.00 13.77 C ATOM 3484 HA ILE B 107 -0.349 9.511 15.959 1.00 0.00 H ATOM 3485 HB ILE B 107 1.795 7.396 15.650 1.00 0.00 H ATOM 3486 HG12 ILE B 107 -1.202 7.256 15.168 1.00 0.00 H ATOM 3487 HG13 ILE B 107 -0.002 7.516 13.881 1.00 0.00 H ATOM 3488 HD11 ILE B 107 1.009 5.347 14.384 1.00 0.00 H ATOM 3489 HD12 ILE B 107 -0.192 5.087 15.672 1.00 0.00 H ATOM 3490 HD13 ILE B 107 -0.716 5.190 13.974 1.00 0.00 H ATOM 3491 HG21 ILE B 107 1.178 7.694 18.012 1.00 0.00 H ATOM 3492 HG22 ILE B 107 -0.548 7.564 17.593 1.00 0.00 H ATOM 3493 HG23 ILE B 107 0.528 6.162 17.379 1.00 0.00 H ATOM 3494 H ILE B 107 2.061 9.536 14.108 1.00 0.00 H ATOM 3495 N VAL B 108 1.109 10.626 17.690 1.00 10.04 N ATOM 3496 CA VAL B 108 1.915 11.238 18.729 1.00 10.10 C ATOM 3497 C VAL B 108 1.442 10.802 20.097 1.00 10.43 C ATOM 3498 O VAL B 108 0.258 10.466 20.266 1.00 10.14 O ATOM 3499 CB VAL B 108 1.840 12.785 18.637 1.00 9.71 C ATOM 3500 CG1 VAL B 108 2.416 13.262 17.312 1.00 11.51 C ATOM 3501 CG2 VAL B 108 0.392 13.270 18.790 1.00 10.55 C ATOM 3502 HA VAL B 108 2.946 10.916 18.584 1.00 0.00 H ATOM 3503 HB VAL B 108 2.431 13.205 19.451 1.00 0.00 H ATOM 3504 HG11 VAL B 108 3.458 12.950 17.237 1.00 0.00 H ATOM 3505 HG12 VAL B 108 1.845 12.827 16.492 1.00 0.00 H ATOM 3506 HG13 VAL B 108 2.357 14.349 17.262 1.00 0.00 H ATOM 3507 HG21 VAL B 108 -0.220 12.840 17.997 1.00 0.00 H ATOM 3508 HG22 VAL B 108 0.005 12.956 19.759 1.00 0.00 H ATOM 3509 HG23 VAL B 108 0.365 14.358 18.722 1.00 0.00 H ATOM 3510 H VAL B 108 0.078 10.761 17.701 1.00 0.00 H ATOM 3511 N ALA B 109 2.355 10.832 21.067 1.00 9.78 N ATOM 3512 CA ALA B 109 2.004 10.641 22.480 1.00 9.78 C ATOM 3513 C ALA B 109 1.692 12.022 23.031 1.00 10.09 C ATOM 3514 O ALA B 109 2.405 12.990 22.731 1.00 10.24 O ATOM 3515 CB ALA B 109 3.159 10.022 23.259 1.00 9.79 C ATOM 3516 HA ALA B 109 1.156 9.963 22.575 1.00 0.00 H ATOM 3517 HB1 ALA B 109 3.407 9.052 22.829 1.00 0.00 H ATOM 3518 HB2 ALA B 109 4.027 10.679 23.202 1.00 0.00 H ATOM 3519 HB3 ALA B 109 2.866 9.894 24.301 1.00 0.00 H ATOM 3520 H ALA B 109 3.350 10.996 20.815 1.00 0.00 H ATOM 3521 N CYS B 110 0.655 12.113 23.867 1.00 10.15 N ATOM 3522 CA CYS B 110 0.297 13.392 24.467 1.00 10.69 C ATOM 3523 C CYS B 110 0.454 13.309 25.961 1.00 10.76 C ATOM 3524 O CYS B 110 0.333 12.227 26.557 1.00 12.26 O ATOM 3525 CB CYS B 110 -1.120 13.826 24.080 1.00 10.51 C ATOM 3526 SG CYS B 110 -1.251 14.013 22.297 1.00 12.75 S ATOM 3527 HA CYS B 110 0.973 14.155 24.081 1.00 0.00 H ATOM 3528 HB2 CYS B 110 -1.348 14.778 24.559 1.00 0.00 H ATOM 3529 HB3 CYS B 110 -1.832 13.072 24.416 1.00 0.00 H ATOM 3530 H CYS B 110 0.098 11.264 24.092 1.00 0.00 H ATOM 3531 N GLY B 111 0.791 14.445 26.558 1.00 10.47 N ATOM 3532 CA GLY B 111 0.971 14.515 28.001 1.00 10.18 C ATOM 3533 C GLY B 111 0.933 15.946 28.486 1.00 9.28 C ATOM 3534 O GLY B 111 0.930 16.907 27.689 1.00 9.70 O ATOM 3535 HA3 GLY B 111 1.934 14.076 28.262 1.00 0.00 H ATOM 3536 HA2 GLY B 111 0.174 13.953 28.487 1.00 0.00 H ATOM 3537 H GLY B 111 0.929 15.301 25.984 1.00 0.00 H ATOM 3538 N GLY B 112 0.945 16.098 29.809 1.00 9.21 N ATOM 3539 CA GLY B 112 0.828 17.425 30.412 1.00 9.79 C ATOM 3540 C GLY B 112 -0.614 17.868 30.515 1.00 9.99 C ATOM 3541 O GLY B 112 -1.525 17.174 30.070 1.00 10.14 O ATOM 3542 HA3 GLY B 112 1.375 18.141 29.799 1.00 0.00 H ATOM 3543 HA2 GLY B 112 1.262 17.398 31.412 1.00 0.00 H ATOM 3544 H GLY B 112 1.039 15.262 30.421 1.00 0.00 H ATOM 3545 N LYS B 113 -0.817 19.025 31.133 1.00 9.90 N ATOM 3546 CA LYS B 113 -2.146 19.612 31.286 1.00 10.69 C ATOM 3547 C LYS B 113 -2.034 21.095 30.972 1.00 10.96 C ATOM 3548 O LYS B 113 -1.518 21.842 31.799 1.00 11.37 O ATOM 3549 CB LYS B 113 -2.664 19.420 32.715 1.00 10.55 C ATOM 3550 CG LYS B 113 -2.907 17.956 33.087 1.00 12.61 C ATOM 3551 CD LYS B 113 -4.109 17.401 32.369 1.00 15.47 C ATOM 3552 CE LYS B 113 -4.488 16.036 32.928 1.00 17.29 C ATOM 3553 NZ LYS B 113 -5.815 15.599 32.409 1.00 19.28 N ATOM 3554 HA LYS B 113 -2.848 19.124 30.610 1.00 0.00 H ATOM 3555 HB2 LYS B 113 -1.930 19.834 33.406 1.00 0.00 H ATOM 3556 HB3 LYS B 113 -3.604 19.962 32.817 1.00 0.00 H ATOM 3557 HG2 LYS B 113 -2.029 17.370 32.816 1.00 0.00 H ATOM 3558 HG3 LYS B 113 -3.071 17.885 34.162 1.00 0.00 H ATOM 3559 HD2 LYS B 113 -4.948 18.085 32.495 1.00 0.00 H ATOM 3560 HD3 LYS B 113 -3.878 17.302 31.308 1.00 0.00 H ATOM 3561 HE2 LYS B 113 -4.531 16.095 34.016 1.00 0.00 H ATOM 3562 HE3 LYS B 113 -3.732 15.307 32.635 1.00 0.00 H ATOM 3563 HZ1 LYS B 113 -6.540 16.289 32.690 1.00 0.00 H ATOM 3564 HZ2 LYS B 113 -5.777 15.537 31.372 1.00 0.00 H ATOM 3565 HZ3 LYS B 113 -6.051 14.666 32.804 1.00 0.00 H ATOM 3566 H LYS B 113 0.002 19.533 31.523 1.00 0.00 H ATOM 3567 N PRO B 114 -2.542 21.533 29.798 1.00 12.11 N ATOM 3568 CA PRO B 114 -3.319 20.751 28.833 1.00 12.42 C ATOM 3569 C PRO B 114 -2.489 19.669 28.159 1.00 11.81 C ATOM 3570 O PRO B 114 -1.260 19.782 28.069 1.00 12.00 O ATOM 3571 CB PRO B 114 -3.707 21.787 27.781 1.00 12.56 C ATOM 3572 CG PRO B 114 -2.571 22.783 27.835 1.00 13.77 C ATOM 3573 CD PRO B 114 -2.335 22.912 29.314 1.00 12.56 C ATOM 3574 HA PRO B 114 -4.154 20.242 29.314 1.00 0.00 H ATOM 3575 HD3 PRO B 114 -1.321 23.254 29.522 1.00 0.00 H ATOM 3576 HD2 PRO B 114 -3.049 23.599 29.768 1.00 0.00 H ATOM 3577 HG3 PRO B 114 -2.860 23.738 27.395 1.00 0.00 H ATOM 3578 HG2 PRO B 114 -1.686 22.403 27.325 1.00 0.00 H ATOM 3579 HB2 PRO B 114 -3.781 21.332 26.793 1.00 0.00 H ATOM 3580 HB3 PRO B 114 -4.655 22.262 28.032 1.00 0.00 H ATOM 3581 N SER B 115 -3.165 18.643 27.670 1.00 11.94 N ATOM 3582 CA SER B 115 -2.480 17.564 26.973 1.00 12.13 C ATOM 3583 C SER B 115 -1.983 18.043 25.609 1.00 11.87 C ATOM 3584 O SER B 115 -2.779 18.469 24.762 1.00 11.85 O ATOM 3585 CB SER B 115 -3.413 16.365 26.820 1.00 12.61 C ATOM 3586 OG SER B 115 -2.719 15.281 26.252 1.00 14.01 O ATOM 3587 HA SER B 115 -1.615 17.256 27.560 1.00 0.00 H ATOM 3588 HB2 SER B 115 -4.248 16.637 26.174 1.00 0.00 H ATOM 3589 HB3 SER B 115 -3.793 16.076 27.800 1.00 0.00 H ATOM 3590 HG SER B 115 -3.333 14.510 26.158 1.00 0.00 H ATOM 3591 H SER B 115 -4.198 18.607 27.785 1.00 0.00 H ATOM 3592 N VAL B 116 -0.664 18.001 25.420 1.00 10.70 N ATOM 3593 CA VAL B 116 -0.041 18.422 24.157 1.00 10.35 C ATOM 3594 C VAL B 116 0.918 17.325 23.685 1.00 10.27 C ATOM 3595 O VAL B 116 1.263 16.440 24.456 1.00 9.37 O ATOM 3596 CB VAL B 116 0.720 19.761 24.298 1.00 10.74 C ATOM 3597 CG1 VAL B 116 -0.255 20.930 24.628 1.00 10.44 C ATOM 3598 CG2 VAL B 116 1.854 19.679 25.332 1.00 10.91 C ATOM 3599 HA VAL B 116 -0.833 18.578 23.424 1.00 0.00 H ATOM 3600 HB VAL B 116 1.183 19.966 23.333 1.00 0.00 H ATOM 3601 HG11 VAL B 116 -0.987 21.028 23.827 1.00 0.00 H ATOM 3602 HG12 VAL B 116 -0.768 20.720 25.567 1.00 0.00 H ATOM 3603 HG13 VAL B 116 0.310 21.857 24.721 1.00 0.00 H ATOM 3604 HG21 VAL B 116 1.438 19.421 26.306 1.00 0.00 H ATOM 3605 HG22 VAL B 116 2.568 18.914 25.027 1.00 0.00 H ATOM 3606 HG23 VAL B 116 2.358 20.644 25.394 1.00 0.00 H ATOM 3607 H VAL B 116 -0.056 17.659 26.191 1.00 0.00 H ATOM 3608 N PRO B 117 1.321 17.363 22.409 1.00 10.33 N ATOM 3609 CA PRO B 117 2.260 16.353 21.943 1.00 10.08 C ATOM 3610 C PRO B 117 3.588 16.369 22.698 1.00 10.25 C ATOM 3611 O PRO B 117 4.181 17.440 22.902 1.00 10.32 O ATOM 3612 CB PRO B 117 2.439 16.714 20.456 1.00 10.13 C ATOM 3613 CG PRO B 117 1.180 17.437 20.099 1.00 10.93 C ATOM 3614 CD PRO B 117 0.907 18.262 21.312 1.00 10.64 C ATOM 3615 HA PRO B 117 1.893 15.340 22.106 1.00 0.00 H ATOM 3616 HD3 PRO B 117 1.499 19.177 21.308 1.00 0.00 H ATOM 3617 HD2 PRO B 117 -0.151 18.515 21.387 1.00 0.00 H ATOM 3618 HG3 PRO B 117 0.366 16.737 19.911 1.00 0.00 H ATOM 3619 HG2 PRO B 117 1.326 18.067 19.222 1.00 0.00 H ATOM 3620 HB2 PRO B 117 3.308 17.358 20.316 1.00 0.00 H ATOM 3621 HB3 PRO B 117 2.553 15.815 19.851 1.00 0.00 H ATOM 3622 N VAL B 118 4.030 15.185 23.131 1.00 10.24 N ATOM 3623 CA VAL B 118 5.306 15.068 23.846 1.00 10.67 C ATOM 3624 C VAL B 118 6.279 14.078 23.179 1.00 11.21 C ATOM 3625 O VAL B 118 7.464 14.065 23.499 1.00 11.92 O ATOM 3626 CB VAL B 118 5.107 14.738 25.349 1.00 11.26 C ATOM 3627 CG1 VAL B 118 4.358 15.856 26.046 1.00 10.98 C ATOM 3628 CG2 VAL B 118 4.388 13.408 25.517 1.00 11.41 C ATOM 3629 HA VAL B 118 5.770 16.052 23.785 1.00 0.00 H ATOM 3630 HB VAL B 118 6.088 14.649 25.815 1.00 0.00 H ATOM 3631 HG11 VAL B 118 4.927 16.782 25.959 1.00 0.00 H ATOM 3632 HG12 VAL B 118 3.381 15.983 25.579 1.00 0.00 H ATOM 3633 HG13 VAL B 118 4.229 15.604 27.099 1.00 0.00 H ATOM 3634 HG21 VAL B 118 3.412 13.461 25.035 1.00 0.00 H ATOM 3635 HG22 VAL B 118 4.979 12.616 25.057 1.00 0.00 H ATOM 3636 HG23 VAL B 118 4.260 13.197 26.579 1.00 0.00 H ATOM 3637 H VAL B 118 3.460 14.332 22.958 1.00 0.00 H ATOM 3638 N HIS B 119 5.783 13.256 22.260 1.00 11.02 N ATOM 3639 CA HIS B 119 6.621 12.272 21.581 1.00 11.58 C ATOM 3640 C HIS B 119 5.999 11.977 20.232 1.00 11.27 C ATOM 3641 O HIS B 119 4.775 11.886 20.115 1.00 11.30 O ATOM 3642 CB HIS B 119 6.700 10.980 22.411 1.00 12.72 C ATOM 3643 CG HIS B 119 7.645 9.952 21.869 1.00 15.56 C ATOM 3644 ND1 HIS B 119 9.011 10.016 22.061 1.00 21.11 N ATOM 3645 CD2 HIS B 119 7.419 8.812 21.178 1.00 18.97 C ATOM 3646 CE1 HIS B 119 9.584 8.973 21.488 1.00 17.89 C ATOM 3647 NE2 HIS B 119 8.640 8.229 20.942 1.00 18.97 N ATOM 3648 HA HIS B 119 7.631 12.663 21.457 1.00 0.00 H ATOM 3649 HB2 HIS B 119 7.022 11.241 23.419 1.00 0.00 H ATOM 3650 HB3 HIS B 119 5.704 10.540 22.452 1.00 0.00 H ATOM 3651 HD2 HIS B 119 6.448 8.427 20.866 1.00 0.00 H ATOM 3652 HE1 HIS B 119 10.653 8.763 21.469 1.00 0.00 H ATOM 3653 H HIS B 119 4.773 13.315 22.019 1.00 0.00 H ATOM 3654 N PHE B 120 6.847 11.837 19.222 1.00 10.12 N ATOM 3655 CA PHE B 120 6.376 11.432 17.903 1.00 10.24 C ATOM 3656 C PHE B 120 6.521 9.913 17.845 1.00 10.37 C ATOM 3657 O PHE B 120 7.617 9.386 17.985 1.00 11.57 O ATOM 3658 CB PHE B 120 7.200 12.090 16.804 1.00 10.89 C ATOM 3659 CG PHE B 120 6.646 11.855 15.443 1.00 9.66 C ATOM 3660 CD1 PHE B 120 6.913 10.664 14.765 1.00 10.09 C ATOM 3661 CD2 PHE B 120 5.830 12.810 14.840 1.00 10.45 C ATOM 3662 CE1 PHE B 120 6.372 10.430 13.491 1.00 10.69 C ATOM 3663 CE2 PHE B 120 5.283 12.586 13.571 1.00 11.55 C ATOM 3664 CZ PHE B 120 5.556 11.396 12.894 1.00 11.30 C ATOM 3665 HA PHE B 120 5.342 11.739 17.747 1.00 0.00 H ATOM 3666 HB2 PHE B 120 7.229 13.164 16.987 1.00 0.00 H ATOM 3667 HB3 PHE B 120 8.213 11.689 16.841 1.00 0.00 H ATOM 3668 HD2 PHE B 120 5.615 13.742 15.362 1.00 0.00 H ATOM 3669 HE2 PHE B 120 4.644 13.340 13.112 1.00 0.00 H ATOM 3670 HZ PHE B 120 5.135 11.221 11.904 1.00 0.00 H ATOM 3671 HE1 PHE B 120 6.587 9.498 12.969 1.00 0.00 H ATOM 3672 HD1 PHE B 120 7.547 9.909 15.229 1.00 0.00 H ATOM 3673 H PHE B 120 7.860 12.018 19.373 1.00 0.00 H ATOM 3674 N ASP B 121 5.405 9.215 17.675 1.00 10.40 N ATOM 3675 CA ASP B 121 5.418 7.755 17.756 1.00 11.24 C ATOM 3676 C ASP B 121 5.675 7.080 16.408 1.00 11.34 C ATOM 3677 O ASP B 121 6.505 6.165 16.295 1.00 11.83 O ATOM 3678 CB ASP B 121 4.112 7.257 18.374 1.00 11.56 C ATOM 3679 CG ASP B 121 4.224 5.858 18.909 1.00 13.99 C ATOM 3680 OD1 ASP B 121 5.047 5.649 19.828 1.00 17.77 O ATOM 3681 OD2 ASP B 121 3.485 4.978 18.431 1.00 15.27 O ATOM 3682 HA ASP B 121 6.255 7.477 18.397 1.00 0.00 H ATOM 3683 HB2 ASP B 121 3.836 7.923 19.192 1.00 0.00 H ATOM 3684 HB3 ASP B 121 3.334 7.278 17.611 1.00 0.00 H ATOM 3685 H ASP B 121 4.512 9.712 17.482 1.00 0.00 H ATOM 3686 N ALA B 122 4.974 7.541 15.382 1.00 11.02 N ATOM 3687 CA ALA B 122 5.014 6.880 14.068 1.00 10.71 C ATOM 3688 C ALA B 122 4.156 7.655 13.113 1.00 11.36 C ATOM 3689 O ALA B 122 3.380 8.528 13.520 1.00 11.22 O ATOM 3690 CB ALA B 122 4.470 5.454 14.171 1.00 10.92 C ATOM 3691 HA ALA B 122 6.046 6.843 13.718 1.00 0.00 H ATOM 3692 HB1 ALA B 122 5.078 4.884 14.874 1.00 0.00 H ATOM 3693 HB2 ALA B 122 3.439 5.484 14.522 1.00 0.00 H ATOM 3694 HB3 ALA B 122 4.507 4.981 13.190 1.00 0.00 H ATOM 3695 H ALA B 122 4.383 8.388 15.508 1.00 0.00 H ATOM 3696 N SER B 123 4.286 7.318 11.836 1.00 11.14 N ATOM 3697 CA SER B 123 3.324 7.749 10.850 1.00 12.28 C ATOM 3698 C SER B 123 2.724 6.473 10.289 1.00 12.48 C ATOM 3699 O SER B 123 3.338 5.394 10.362 1.00 12.54 O ATOM 3700 CB SER B 123 3.963 8.606 9.747 1.00 13.05 C ATOM 3701 OG SER B 123 5.032 7.938 9.102 1.00 14.32 O ATOM 3702 HA SER B 123 2.565 8.391 11.297 1.00 0.00 H ATOM 3703 HB2 SER B 123 4.341 9.526 10.192 1.00 0.00 H ATOM 3704 HB3 SER B 123 3.202 8.849 9.005 1.00 0.00 H ATOM 3705 HG SER B 123 5.732 7.720 9.767 1.00 0.00 H ATOM 3706 H SER B 123 5.094 6.734 11.541 1.00 0.00 H ATOM 3707 N VAL B 124 1.516 6.580 9.762 1.00 12.78 N ATOM 3708 CA VAL B 124 0.860 5.416 9.165 1.00 13.37 C ATOM 3709 C VAL B 124 0.105 5.861 7.929 1.00 13.22 C ATOM 3710 O VAL B 124 -0.285 7.035 7.820 1.00 13.04 O ATOM 3711 CB VAL B 124 -0.052 4.637 10.168 1.00 13.97 C ATOM 3712 CG1 VAL B 124 -1.234 5.489 10.637 1.00 15.38 C ATOM 3713 CG2 VAL B 124 -0.529 3.319 9.561 1.00 16.94 C ATOM 3714 HA VAL B 124 1.629 4.698 8.881 1.00 0.00 H ATOM 3715 OXT VAL B 124 -0.101 5.032 7.039 1.00 12.64 O ATOM 3716 HB VAL B 124 0.550 4.407 11.047 1.00 0.00 H ATOM 3717 HG11 VAL B 124 -0.860 6.383 11.135 1.00 0.00 H ATOM 3718 HG12 VAL B 124 -1.837 5.777 9.776 1.00 0.00 H ATOM 3719 HG13 VAL B 124 -1.843 4.912 11.332 1.00 0.00 H ATOM 3720 HG21 VAL B 124 -1.099 3.523 8.654 1.00 0.00 H ATOM 3721 HG22 VAL B 124 0.334 2.699 9.317 1.00 0.00 H ATOM 3722 HG23 VAL B 124 -1.161 2.797 10.279 1.00 0.00 H ATOM 3723 H VAL B 124 1.028 7.498 9.772 1.00 0.00 H TER 3724 VAL B 124 HETATM 3725 O HOH 1 9.687 15.024 21.488 1.00 19.55 O HETATM 3726 O HOH 2 9.635 12.385 19.985 1.00 15.01 O HETATM 3727 O HOH 3 18.885 20.515 22.946 1.00 36.01 O HETATM 3728 O HOH 4 17.734 19.914 25.298 1.00 40.65 O HETATM 3729 O HOH 5 14.922 17.823 26.785 1.00 34.79 O HETATM 3730 O HOH 6 12.575 17.116 28.034 1.00 24.14 O HETATM 3731 O HOH 7 16.335 15.948 25.350 1.00 44.17 O HETATM 3732 O HOH 8 16.990 15.849 20.843 1.00 27.00 O HETATM 3733 O HOH 9 26.420 21.875 5.193 1.00 32.05 O HETATM 3734 O HOH 10 16.723 25.098 1.938 1.00 30.46 O HETATM 3735 O HOH 11 15.911 22.534 2.241 1.00 31.60 O HETATM 3736 O HOH 12 3.411 22.391 0.594 1.00 42.68 O HETATM 3737 O HOH 13 9.044 21.655 0.709 1.00 31.73 O HETATM 3738 O HOH 14 8.576 25.552 6.280 1.00 40.99 O HETATM 3739 O HOH 15 9.678 26.899 8.214 1.00 44.31 O HETATM 3740 O HOH 16 11.972 25.105 6.850 1.00 28.82 O HETATM 3741 O HOH 17 17.582 29.926 14.304 1.00 36.36 O HETATM 3742 O HOH 18 18.208 28.943 16.477 1.00 44.80 O HETATM 3743 O HOH 19 19.673 27.540 18.260 1.00 49.73 O HETATM 3744 O HOH 20 11.103 25.267 18.592 1.00 35.89 O HETATM 3745 O HOH 21 9.317 24.502 16.368 1.00 19.47 O HETATM 3746 O HOH 22 7.565 25.222 13.570 1.00 16.79 O HETATM 3747 O HOH 23 5.209 25.595 14.950 1.00 17.72 O HETATM 3748 O HOH 24 4.223 28.062 14.789 1.00 20.67 O HETATM 3749 O HOH 25 6.118 29.287 13.693 1.00 40.67 O HETATM 3750 O HOH 26 2.908 23.667 24.981 1.00 26.24 O HETATM 3751 O HOH 27 3.340 22.558 22.524 1.00 19.24 O HETATM 3752 O HOH 28 6.866 24.506 23.779 1.00 28.06 O HETATM 3753 O HOH 29 5.370 24.951 25.900 1.00 34.47 O HETATM 3754 O HOH 30 6.234 24.139 28.134 1.00 34.42 O HETATM 3755 O HOH 31 5.179 22.103 29.714 1.00 29.61 O HETATM 3756 O HOH 32 5.907 19.615 28.883 1.00 18.46 O HETATM 3757 O HOH 33 17.087 20.162 29.286 1.00 36.48 O HETATM 3758 O HOH 34 13.116 25.046 25.960 1.00 34.99 O HETATM 3759 O HOH 35 13.447 23.896 23.237 1.00 25.53 O HETATM 3760 O HOH 36 11.251 24.223 21.567 1.00 21.59 O HETATM 3761 O HOH 37 9.084 25.752 22.784 1.00 35.87 O HETATM 3762 O HOH 38 8.830 25.601 27.819 1.00 39.00 O HETATM 3763 O HOH 39 11.220 24.359 28.101 1.00 27.26 O HETATM 3764 O HOH 40 4.172 26.541 22.256 1.00 28.11 O HETATM 3765 O HOH 41 6.685 24.742 17.134 1.00 22.26 O HETATM 3766 O HOH 42 -1.200 25.697 3.396 1.00 30.14 O HETATM 3767 O HOH 43 0.379 30.516 2.426 1.00 29.52 O HETATM 3768 O HOH 44 2.859 30.261 4.820 1.00 37.58 O HETATM 3769 O HOH 45 4.949 28.819 4.727 1.00 30.47 O HETATM 3770 O HOH 46 52.167 32.390 7.660 1.00 41.64 O HETATM 3771 O HOH 47 13.045 33.933 5.781 1.00 35.01 O HETATM 3772 O HOH 48 16.349 31.808 4.425 1.00 17.52 O HETATM 3773 O HOH 49 15.029 33.844 1.041 1.00 26.35 O HETATM 3774 O HOH 50 15.542 32.698 -2.155 1.00 52.80 O HETATM 3775 O HOH 51 19.057 34.398 -5.339 1.00 28.14 O HETATM 3776 O HOH 52 24.585 32.678 -8.492 1.00 37.80 O HETATM 3777 O HOH 53 25.972 31.445 -6.101 1.00 21.37 O HETATM 3778 O HOH 54 26.291 26.207 -6.228 1.00 34.57 O HETATM 3779 O HOH 55 28.797 25.741 -6.110 1.00 35.84 O HETATM 3780 O HOH 56 35.799 25.462 -6.096 1.00 25.32 O HETATM 3781 O HOH 57 40.070 25.151 -8.807 1.00 26.40 O HETATM 3782 O HOH 58 42.790 29.166 -7.146 1.00 36.66 O HETATM 3783 O HOH 59 41.193 30.801 -5.598 1.00 23.16 O HETATM 3784 O HOH 60 39.864 33.061 -7.077 1.00 26.69 O HETATM 3785 O HOH 61 35.083 31.721 -11.201 1.00 33.78 O HETATM 3786 O HOH 62 32.825 29.881 -9.675 1.00 27.04 O HETATM 3787 O HOH 63 31.669 28.646 -11.612 1.00 34.79 O HETATM 3788 O HOH 64 31.861 32.433 -10.047 1.00 24.74 O HETATM 3789 O HOH 65 31.233 35.694 -12.644 1.00 32.74 O HETATM 3790 O HOH 66 30.231 38.705 -10.920 1.00 41.57 O HETATM 3791 O HOH 67 32.071 40.929 -8.913 1.00 31.69 O HETATM 3792 O HOH 68 29.674 44.738 -4.275 1.00 42.97 O HETATM 3793 O HOH 69 26.415 42.842 -4.558 1.00 36.03 O HETATM 3794 O HOH 70 27.733 42.874 -0.521 1.00 39.50 O HETATM 3795 O HOH 71 30.151 42.624 1.136 1.00 26.98 O HETATM 3796 O HOH 72 28.750 39.060 0.361 1.00 27.15 O HETATM 3797 O HOH 73 25.231 42.120 2.361 1.00 45.18 O HETATM 3798 O HOH 74 20.086 38.068 0.914 1.00 24.39 O HETATM 3799 O HOH 75 10.407 40.886 5.565 1.00 51.23 O HETATM 3800 O HOH 76 34.365 43.202 -9.179 1.00 44.35 O HETATM 3801 O HOH 77 19.515 42.991 11.145 1.00 38.11 O HETATM 3802 O HOH 78 20.314 40.947 14.635 1.00 33.95 O HETATM 3803 O HOH 79 18.984 39.425 17.342 1.00 40.61 O HETATM 3804 O HOH 80 24.720 35.458 17.003 1.00 40.59 O HETATM 3805 O HOH 81 25.154 33.142 17.379 1.00 32.99 O HETATM 3806 O HOH 82 27.207 32.234 19.612 1.00 43.41 O HETATM 3807 O HOH 83 28.307 30.172 17.847 1.00 30.96 O HETATM 3808 O HOH 84 28.094 27.428 20.250 1.00 47.21 O HETATM 3809 O HOH 85 30.291 25.150 17.068 1.00 38.04 O HETATM 3810 O HOH 86 29.174 23.942 14.969 1.00 37.88 O HETATM 3811 O HOH 87 27.214 23.092 13.148 1.00 27.60 O HETATM 3812 O HOH 88 26.461 20.585 14.977 1.00 31.45 O HETATM 3813 O HOH 89 24.218 20.973 16.510 1.00 44.69 O HETATM 3814 O HOH 90 26.416 21.891 7.923 1.00 25.91 O HETATM 3815 O HOH 91 39.620 28.743 7.380 1.00 15.16 O HETATM 3816 O HOH 92 41.945 22.399 1.848 1.00 31.64 O HETATM 3817 O HOH 93 44.894 23.978 -0.148 1.00 45.95 O HETATM 3818 O HOH 94 44.766 26.105 -1.513 1.00 35.57 O HETATM 3819 O HOH 95 45.221 25.397 -3.733 1.00 52.48 O HETATM 3820 O HOH 96 47.030 27.600 -1.271 1.00 30.51 O HETATM 3821 O HOH 97 47.253 30.430 0.140 1.00 25.60 O HETATM 3822 O HOH 98 45.359 29.390 2.677 1.00 30.60 O HETATM 3823 O HOH 99 45.710 24.611 5.415 1.00 25.60 O HETATM 3824 O HOH 100 45.696 25.250 7.941 1.00 26.78 O HETATM 3825 O HOH 101 46.407 27.973 10.189 1.00 22.58 O HETATM 3826 O HOH 102 44.718 30.330 11.229 1.00 19.16 O HETATM 3827 O HOH 103 37.255 33.165 12.338 1.00 27.96 O HETATM 3828 O HOH 104 29.914 35.903 13.803 1.00 35.09 O HETATM 3829 O HOH 105 48.204 37.545 8.830 1.00 35.14 O HETATM 3830 O HOH 106 49.197 42.599 8.912 1.00 37.76 O HETATM 3831 O HOH 107 46.902 43.391 10.119 1.00 25.22 O HETATM 3832 O HOH 108 41.850 41.083 9.810 1.00 25.15 O HETATM 3833 O HOH 109 39.484 42.056 9.817 1.00 30.45 O HETATM 3834 O HOH 110 35.697 42.931 13.153 1.00 54.73 O HETATM 3835 O HOH 111 37.470 44.686 13.577 1.00 29.37 O HETATM 3836 O HOH 112 35.500 43.763 10.028 1.00 50.82 O HETATM 3837 O HOH 113 37.302 44.244 8.301 1.00 24.12 O HETATM 3838 O HOH 114 33.461 42.818 7.405 1.00 40.25 O HETATM 3839 O HOH 115 37.772 44.967 2.066 1.00 24.18 O HETATM 3840 O HOH 116 42.977 48.286 -0.843 1.00 23.26 O HETATM 3841 O HOH 117 41.516 47.493 -3.326 1.00 44.19 O HETATM 3842 O HOH 118 21.038 42.688 7.305 1.00 42.03 O HETATM 3843 O HOH 119 40.508 40.067 -8.003 1.00 37.18 O HETATM 3844 O HOH 120 39.592 34.826 -13.487 1.00 57.17 O HETATM 3845 O HOH 121 36.064 35.647 -12.356 1.00 33.61 O HETATM 3846 O HOH 122 46.424 31.416 -5.913 1.00 35.68 O HETATM 3847 O HOH 123 48.234 33.324 -6.583 1.00 47.39 O HETATM 3848 O HOH 124 48.490 35.153 3.415 1.00 28.58 O HETATM 3849 O HOH 125 22.215 26.655 -6.308 1.00 49.10 O HETATM 3850 O HOH 126 16.748 28.157 -6.468 1.00 49.84 O HETATM 3851 O HOH 127 17.549 30.630 11.581 1.00 24.91 O HETATM 3852 O HOH 128 17.574 31.975 17.459 1.00 39.91 O HETATM 3853 O HOH 129 22.345 28.673 15.898 1.00 26.48 O HETATM 3854 O HOH 130 24.271 24.296 19.983 1.00 39.13 O HETATM 3855 O HOH 131 27.914 40.454 12.890 1.00 30.91 O HETATM 3856 O HOH 132 26.819 40.353 10.429 1.00 22.10 O HETATM 3857 O HOH 133 26.557 43.169 9.595 1.00 37.78 O HETATM 3858 O HOH 134 36.612 50.925 5.522 1.00 38.91 O HETATM 3859 O HOH 135 38.210 50.942 9.133 1.00 26.24 O HETATM 3860 O HOH 136 41.214 52.160 8.845 1.00 34.32 O HETATM 3861 O HOH 137 10.406 36.929 17.558 1.00 41.85 O HETATM 3862 O HOH 138 12.209 7.887 0.222 1.00 28.55 O HETATM 3863 O HOH 139 13.955 9.441 4.491 1.00 23.50 O HETATM 3864 O HOH 140 10.376 7.621 5.105 1.00 30.69 O HETATM 3865 O HOH 141 6.941 7.408 7.246 1.00 44.86 O HETATM 3866 O HOH 142 7.149 9.060 10.120 1.00 21.35 O HETATM 3867 O HOH 143 6.738 5.687 11.340 1.00 20.14 O HETATM 3868 O HOH 144 7.689 4.187 14.732 1.00 29.45 O HETATM 3869 O HOH 145 3.482 2.794 11.700 1.00 34.52 O HETATM 3870 O HOH 146 1.413 3.719 17.162 1.00 29.81 O HETATM 3871 O HOH 147 6.936 4.889 21.009 1.00 50.47 O HETATM 3872 O HOH 148 5.089 7.425 21.784 1.00 31.43 O HETATM 3873 O HOH 149 3.995 6.671 24.348 1.00 41.48 O HETATM 3874 O HOH 150 4.645 10.173 27.592 1.00 35.18 O HETATM 3875 O HOH 151 4.936 8.729 29.818 1.00 28.56 O HETATM 3876 O HOH 152 7.534 9.287 30.036 1.00 34.90 O HETATM 3877 O HOH 153 8.084 7.564 27.826 1.00 36.67 O HETATM 3878 O HOH 154 9.892 11.239 29.352 1.00 42.61 O HETATM 3879 O HOH 155 7.926 11.777 26.689 1.00 35.67 O HETATM 3880 O HOH 156 9.292 15.504 24.281 1.00 22.34 O HETATM 3881 O HOH 157 11.821 11.771 18.902 1.00 29.85 O HETATM 3882 O HOH 158 15.383 12.188 20.558 1.00 27.56 O HETATM 3883 O HOH 159 19.056 13.517 19.472 1.00 38.40 O HETATM 3884 O HOH 160 21.738 14.994 19.586 1.00 31.32 O HETATM 3885 O HOH 161 20.006 18.228 22.001 1.00 34.06 O HETATM 3886 O HOH 162 19.016 8.915 19.446 1.00 46.84 O HETATM 3887 O HOH 163 16.561 8.128 18.738 1.00 30.21 O HETATM 3888 O HOH 164 15.647 7.825 16.010 1.00 20.26 O HETATM 3889 O HOH 165 15.166 5.101 15.653 1.00 27.65 O HETATM 3890 O HOH 166 17.865 5.085 10.248 1.00 33.36 O HETATM 3891 O HOH 167 20.985 4.672 11.268 1.00 31.40 O HETATM 3892 O HOH 168 22.877 6.472 14.427 1.00 33.24 O HETATM 3893 O HOH 169 26.425 7.278 12.610 1.00 48.08 O HETATM 3894 O HOH 170 26.195 8.298 15.373 1.00 41.55 O HETATM 3895 O HOH 171 25.083 4.978 9.619 1.00 47.44 O HETATM 3896 O HOH 172 18.963 3.781 5.708 1.00 31.85 O HETATM 3897 O HOH 173 20.116 10.065 0.538 1.00 40.40 O HETATM 3898 O HOH 174 17.744 13.463 0.699 1.00 20.97 O HETATM 3899 O HOH 175 15.541 13.678 -1.236 1.00 33.44 O HETATM 3900 O HOH 176 13.577 14.795 -1.139 1.00 41.54 O HETATM 3901 O HOH 177 12.898 16.941 -0.741 1.00 39.92 O HETATM 3902 O HOH 178 10.569 13.020 -1.218 1.00 29.32 O HETATM 3903 O HOH 179 15.819 10.270 -2.157 1.00 38.11 O HETATM 3904 O HOH 180 19.000 15.628 3.821 1.00 21.87 O HETATM 3905 O HOH 181 21.792 16.534 0.385 1.00 25.33 O HETATM 3906 O HOH 182 24.428 16.855 1.416 1.00 35.16 O HETATM 3907 O HOH 183 27.757 17.044 0.652 1.00 30.91 O HETATM 3908 O HOH 184 26.122 14.806 4.133 1.00 34.38 O HETATM 3909 O HOH 185 22.878 13.378 2.818 1.00 31.31 O HETATM 3910 O HOH 186 25.882 10.240 2.854 1.00 44.10 O HETATM 3911 O HOH 187 24.819 18.802 4.170 1.00 32.07 O HETATM 3912 O HOH 188 24.583 23.118 3.650 1.00 22.82 O HETATM 3913 O HOH 189 21.140 23.137 0.787 1.00 18.89 O HETATM 3914 O HOH 190 18.592 24.631 0.485 1.00 26.24 O HETATM 3915 O HOH 191 11.278 19.034 3.583 1.00 29.02 O HETATM 3916 O HOH 192 7.781 17.471 3.170 1.00 22.70 O HETATM 3917 O HOH 193 5.222 16.700 2.865 1.00 23.30 O HETATM 3918 O HOH 194 4.015 16.946 0.545 1.00 34.89 O HETATM 3919 O HOH 195 4.206 19.879 0.380 1.00 38.09 O HETATM 3920 O HOH 196 5.365 19.633 2.816 1.00 41.77 O HETATM 3921 O HOH 197 7.211 20.156 1.907 1.00 44.54 O HETATM 3922 O HOH 198 14.611 26.461 13.496 1.00 23.06 O HETATM 3923 O HOH 199 17.685 25.428 17.136 1.00 25.83 O HETATM 3924 O HOH 200 15.903 24.385 18.861 1.00 32.30 O HETATM 3925 O HOH 201 9.780 26.413 14.714 1.00 40.76 O HETATM 3926 O HOH 202 2.010 27.094 13.582 1.00 15.81 O HETATM 3927 O HOH 203 -0.406 28.679 12.719 1.00 17.42 O HETATM 3928 O HOH 204 -0.462 27.192 15.358 1.00 23.19 O HETATM 3929 O HOH 205 -4.068 25.814 11.642 1.00 28.32 O HETATM 3930 O HOH 206 -6.563 24.615 12.128 1.00 31.69 O HETATM 3931 O HOH 207 -5.693 22.772 8.790 1.00 28.69 O HETATM 3932 O HOH 208 -5.167 25.342 8.308 1.00 24.08 O HETATM 3933 O HOH 209 -1.870 23.084 9.299 1.00 16.06 O HETATM 3934 O HOH 210 -3.236 19.313 9.485 1.00 28.69 O HETATM 3935 O HOH 211 -5.336 18.098 10.719 1.00 32.13 O HETATM 3936 O HOH 212 -5.475 15.717 11.486 1.00 25.21 O HETATM 3937 O HOH 213 -5.389 18.200 13.387 1.00 21.28 O HETATM 3938 O HOH 214 -7.337 20.196 13.252 1.00 33.21 O HETATM 3939 O HOH 215 -9.452 18.031 16.519 1.00 39.63 O HETATM 3940 O HOH 216 -5.990 18.552 21.826 1.00 23.59 O HETATM 3941 O HOH 217 -5.390 18.467 24.590 1.00 26.96 O HETATM 3942 O HOH 218 -2.854 19.765 22.528 1.00 24.03 O HETATM 3943 O HOH 219 -3.712 22.273 23.454 1.00 37.77 O HETATM 3944 O HOH 220 -1.792 24.263 24.500 1.00 40.07 O HETATM 3945 O HOH 221 4.571 20.062 22.045 1.00 16.29 O HETATM 3946 O HOH 222 3.304 18.822 28.283 1.00 22.37 O HETATM 3947 O HOH 223 1.318 21.055 28.656 1.00 27.75 O HETATM 3948 O HOH 224 1.678 20.253 31.821 1.00 22.75 O HETATM 3949 O HOH 225 2.189 22.737 32.798 1.00 33.06 O HETATM 3950 O HOH 226 0.197 23.789 31.505 1.00 37.24 O HETATM 3951 O HOH 227 -5.701 18.464 28.491 1.00 27.37 O HETATM 3952 O HOH 228 -5.365 15.140 29.617 1.00 36.03 O HETATM 3953 O HOH 229 -2.344 14.433 30.249 1.00 28.19 O HETATM 3954 O HOH 230 0.547 10.323 29.412 1.00 42.18 O HETATM 3955 O HOH 231 2.536 11.842 30.118 1.00 32.38 O HETATM 3956 O HOH 232 1.591 7.803 29.594 1.00 33.37 O HETATM 3957 O HOH 233 0.085 5.751 29.149 1.00 19.33 O HETATM 3958 O HOH 234 -4.665 4.405 29.904 1.00 39.91 O HETATM 3959 O HOH 235 -6.049 2.907 25.812 1.00 39.39 O HETATM 3960 O HOH 236 -4.230 2.638 24.012 1.00 38.11 O HETATM 3961 O HOH 237 -2.049 4.335 23.176 1.00 27.35 O HETATM 3962 O HOH 238 -0.738 0.888 23.218 1.00 27.51 O HETATM 3963 O HOH 239 -1.039 -1.436 23.933 1.00 38.19 O HETATM 3964 O HOH 240 -3.575 -0.440 23.899 1.00 34.45 O HETATM 3965 O HOH 241 -6.603 2.512 22.016 1.00 38.82 O HETATM 3966 O HOH 242 -9.831 4.663 19.730 1.00 34.79 O HETATM 3967 O HOH 243 -8.488 13.025 23.631 1.00 34.21 O HETATM 3968 O HOH 244 -5.121 14.086 25.128 1.00 29.88 O HETATM 3969 O HOH 245 -3.643 10.608 27.055 1.00 36.30 O HETATM 3970 O HOH 246 4.916 -0.050 27.985 1.00 22.62 O HETATM 3971 O HOH 247 5.468 -2.285 22.759 1.00 25.46 O HETATM 3972 O HOH 248 5.688 -2.142 18.947 1.00 36.81 O HETATM 3973 O HOH 249 9.633 4.217 25.325 1.00 39.80 O HETATM 3974 O HOH 250 -4.929 22.993 18.801 1.00 26.61 O HETATM 3975 O HOH 251 -0.793 22.410 5.216 1.00 25.41 O HETATM 3976 O HOH 252 32.555 23.333 -3.830 1.00 23.55 O HETATM 3977 O HOH 253 22.903 19.135 16.023 1.00 37.88 O HETATM 3978 O HOH 254 25.003 17.803 11.957 1.00 43.14 O HETATM 3979 O HOH 255 23.401 16.719 10.055 1.00 21.95 O HETATM 3980 O HOH 256 24.787 20.007 8.247 1.00 43.56 O HETATM 3981 O HOH 257 28.646 20.043 4.530 1.00 45.39 O HETATM 3982 O HOH 258 29.661 21.802 3.097 1.00 25.77 O HETATM 3983 O HOH 259 32.075 23.244 3.480 1.00 24.23 O HETATM 3984 O HOH 260 34.836 22.953 3.021 1.00 28.00 O HETATM 3985 O HOH 261 34.938 23.591 5.606 1.00 27.62 O HETATM 3986 O HOH 262 32.366 24.041 6.678 1.00 17.19 O HETATM 3987 O HOH 263 34.677 24.321 11.474 1.00 20.31 O HETATM 3988 O HOH 264 34.101 24.629 14.447 1.00 23.67 O HETATM 3989 O HOH 265 36.162 23.479 16.096 1.00 32.12 O HETATM 3990 O HOH 266 37.071 22.058 14.086 1.00 45.72 O HETATM 3991 O HOH 267 39.140 24.167 16.188 1.00 36.36 O HETATM 3992 O HOH 268 39.726 24.143 10.394 1.00 31.75 O HETATM 3993 O HOH 269 41.011 26.311 7.028 1.00 18.99 O HETATM 3994 O HOH 270 41.132 22.777 6.687 1.00 26.91 O HETATM 3995 O HOH 271 35.102 33.588 10.598 1.00 21.72 O HETATM 3996 O HOH 272 34.163 36.064 9.420 1.00 16.41 O HETATM 3997 O HOH 273 29.460 32.354 15.016 1.00 23.96 O HETATM 3998 O HOH 274 34.833 30.753 18.211 1.00 31.47 O HETATM 3999 O HOH 275 37.565 31.544 17.149 1.00 30.58 O HETATM 4000 O HOH 276 35.419 28.195 21.316 1.00 46.11 O HETATM 4001 O HOH 277 -6.122 21.378 20.660 1.00 41.95 O HETATM 4002 O HOH 278 -3.767 25.817 19.510 1.00 39.80 O HETATM 4003 O HOH 279 36.395 20.822 2.158 1.00 40.84 O HETATM 4004 O HOH 280 23.436 19.487 -1.394 1.00 22.70 O HETATM 4005 O HOH 281 22.056 21.680 -5.643 1.00 38.96 O HETATM 4006 O HOH 282 21.618 24.794 16.148 1.00 26.29 O HETATM 4007 O HOH 283 27.667 16.670 14.962 1.00 37.56 O HETATM 4008 O HOH 284 -2.052 18.497 4.781 1.00 20.93 O HETATM 4009 O HOH 285 -1.619 15.885 3.859 1.00 26.15 O HETATM 4010 O HOH 286 -4.930 16.199 4.682 1.00 36.74 O HETATM 4011 O HOH 287 -6.277 12.606 4.837 1.00 25.13 O HETATM 4012 O HOH 288 -7.107 10.235 5.346 1.00 31.87 O HETATM 4013 O HOH 289 -2.638 11.776 1.693 1.00 26.75 O HETATM 4014 O HOH 290 -1.407 8.421 3.139 1.00 31.68 O HETATM 4015 O HOH 291 -5.636 4.223 10.159 1.00 46.28 O HETATM 4016 N1 UA A 3 29.850 39.582 6.692 1.00 -0.16 N HETATM 4017 C2 UA A 3 29.596 38.563 5.744 1.00 0.33 C HETATM 4018 O2 UA A 3 29.495 37.380 6.120 1.00 -0.38 O HETATM 4019 N3 UA A 3 29.491 38.880 4.446 1.00 -0.19 N HETATM 4020 C4 UA A 3 29.627 40.142 4.010 1.00 0.18 C HETATM 4021 O4 UA A 3 29.541 40.383 2.783 1.00 -0.41 O HETATM 4022 C5 UA A 3 29.857 41.175 4.919 1.00 0.01 C HETATM 4023 C6 UA A 3 29.947 40.856 6.274 1.00 0.06 C HETATM 4024 H3 UA A 3 30.098 41.650 7.004 1.00 0.12 H HETATM 4025 H2 UA A 3 29.964 42.204 4.579 1.00 0.03 H HETATM 4026 H1 UA A 3 29.306 38.155 3.783 1.00 0.23 H HETATM 4027 C1' UA A 3 29.889 39.258 8.127 1.00 0.21 C HETATM 4028 O4' UA A 3 29.466 40.401 8.885 1.00 -0.34 O HETATM 4029 C4' UA A 3 30.201 40.496 10.107 1.00 0.12 C HETATM 4030 C5' UA A 3 30.684 41.934 10.288 1.00 0.07 C HETATM 4031 O5' UA A 3 30.798 42.609 9.028 1.00 -0.39 O HETATM 4032 H4 UA A 3 29.949 42.627 8.601 1.00 0.21 H HETATM 4033 H5 UA A 3 29.966 42.476 10.921 1.00 0.06 H HETATM 4034 H6 UA A 3 31.669 41.922 10.778 1.00 0.06 H HETATM 4035 C3' UA A 3 31.314 39.454 10.053 1.00 0.15 C HETATM 4036 O3' UA A 3 31.109 38.453 11.025 1.00 -0.27 O HETATM 4037 P UA A 3 32.201 38.239 12.179 1.00 0.20 P HETATM 4038 O3P UA A 3 32.281 39.830 12.966 1.00 -0.55 O HETATM 4039 O1P UA A 3 33.624 37.862 11.553 1.00 -0.55 O HETATM 4040 O2P UA A 3 31.710 36.947 13.292 1.00 -0.55 O HETATM 4041 C2' UA A 3 31.120 38.636 8.797 1.00 0.14 C HETATM 4042 O2' UA A 3 32.337 38.562 8.084 1.00 -0.38 O HETATM 4043 H10 UA A 3 32.619 39.438 7.849 1.00 0.21 H HETATM 4044 H9 UA A 3 30.858 37.603 9.071 1.00 0.07 H HETATM 4045 H8 UA A 3 32.306 39.923 10.124 1.00 0.07 H HETATM 4046 H7 UA A 3 29.540 40.251 10.951 1.00 0.07 H HETATM 4047 H11 UA A 3 29.107 38.494 8.248 1.00 0.10 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 365 364 1260 CONECT 442 441 2314 CONECT 452 451 2304 CONECT 585 584 1423 CONECT 858 857 1664 CONECT 970 969 1068 CONECT 1068 970 1067 CONECT 1260 365 1259 CONECT 1423 585 1422 CONECT 1664 858 1663 CONECT 1863 1864 1884 1885 1886 CONECT 1884 1863 CONECT 1885 1863 CONECT 1886 1863 CONECT 2227 2226 3122 CONECT 2304 452 2303 CONECT 2314 442 2313 CONECT 2447 2446 3285 CONECT 2720 2719 3526 CONECT 2832 2831 2930 CONECT 2930 2832 2929 CONECT 3122 2227 3121 CONECT 3285 2447 3284 CONECT 3526 2720 3525 CONECT 4016 4017 4023 4027 CONECT 4017 4016 4018 4019 CONECT 4018 4017 CONECT 4019 4017 4020 4026 CONECT 4020 4019 4021 4022 CONECT 4021 4020 CONECT 4022 4020 4023 4025 CONECT 4023 4016 4022 4024 CONECT 4024 4023 CONECT 4025 4022 CONECT 4026 4019 CONECT 4027 4016 4028 4041 4047 CONECT 4028 4027 4029 CONECT 4029 4028 4030 4035 4046 CONECT 4030 4029 4031 4033 4034 CONECT 4031 4030 4032 CONECT 4032 4031 CONECT 4033 4030 CONECT 4034 4030 CONECT 4035 4029 4036 4041 4045 CONECT 4036 4035 4037 CONECT 4037 4036 4038 4039 4040 CONECT 4038 4037 CONECT 4039 4037 CONECT 4040 4037 CONECT 4041 4027 4035 4042 4044 CONECT 4042 4041 4043 CONECT 4043 4042 CONECT 4044 4041 CONECT 4045 4035 CONECT 4046 4029 CONECT 4047 4027 MASTER 0 0 0 0 0 0 0 0 4045 2 60 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3djp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1n3z
RCSB PDB
PDBbind
124aa, >1N3Z_1|Chain... *
3djo
RCSB PDB
PDBbind
124aa, >3DJO_1|Chains... at 100%
3djq
RCSB PDB
PDBbind
124aa, >3DJQ_1|Chains... at 100%
3djv
RCSB PDB
PDBbind
124aa, >3DJV_1|Chains... at 100%
3djx
RCSB PDB
PDBbind
124aa, >3DJX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1w4o
RCSB PDB
PDBbind
UA3
Entry Information
PDB ID
3djp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Seminal ribonuclease
Ligand Name
UA3
EC.Number
E.C.3.1.27.5
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=63.2uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Eur.J.Med.Chem. Vol. 44: pp. 4496-4508
Ligand Properties
Formula
C
9
H
1
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@H]([C@@H]1OP(O)(O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/t4-,6+,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00669
Entrez Gene ID
NCBI Entrez Gene ID:
280930
ASD
Information of known allosteric effects of PDB entries
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