Browse entries in the PDBbind-CN Database
HEADER 3DVP_COMPLEX COMPND 3DVP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU MET SEQRES 2 A 85 GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU GLU SEQRES 3 A 85 LYS TYR ASN ILE GLU PRO ASP ILE ALA ALA TYR ILE LYS SEQRES 4 A 85 LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS CYS SEQRES 5 A 85 ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS GLU SEQRES 6 A 85 THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL ALA SEQRES 7 A 85 ILE LEU LEU PHE LYS SER GLY SEQRES 1 B 85 LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU MET SEQRES 2 B 85 GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU GLU SEQRES 3 B 85 LYS TYR ASN ILE GLU PRO ASP ILE ALA ALA TYR ILE LYS SEQRES 4 B 85 LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS CYS SEQRES 5 B 85 ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS GLU SEQRES 6 B 85 THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL ALA SEQRES 7 B 85 ILE LEU LEU PHE LYS SER GLY HET PRO A 220 128 ATOM 1 N LYS A 5 -1.565 12.564 11.494 1.00 18.33 N ATOM 2 CA LYS A 5 -0.597 11.569 12.066 1.00 18.48 C ATOM 3 C LYS A 5 0.605 11.452 11.140 1.00 16.88 C ATOM 4 O LYS A 5 1.706 11.232 11.622 1.00 17.40 O ATOM 5 CB LYS A 5 -1.253 10.167 12.354 1.00 18.83 C ATOM 6 CG LYS A 5 -2.061 10.141 13.664 1.00 22.44 C ATOM 7 CD LYS A 5 -2.817 8.821 13.922 1.00 27.18 C ATOM 8 CE LYS A 5 -1.911 7.679 14.443 1.00 29.23 C ATOM 9 NZ LYS A 5 -0.934 7.132 13.412 1.00 30.38 N ATOM 10 HA LYS A 5 -0.270 11.936 13.039 1.00 0.00 H ATOM 11 HB2 LYS A 5 -1.920 9.919 11.529 1.00 0.00 H ATOM 12 HB3 LYS A 5 -0.462 9.419 12.418 1.00 0.00 H ATOM 13 HG2 LYS A 5 -1.373 10.307 14.493 1.00 0.00 H ATOM 14 HG3 LYS A 5 -2.790 10.951 13.631 1.00 0.00 H ATOM 15 HD2 LYS A 5 -3.595 9.008 14.662 1.00 0.00 H ATOM 16 HD3 LYS A 5 -3.276 8.498 12.987 1.00 0.00 H ATOM 17 HE2 LYS A 5 -2.550 6.861 14.775 1.00 0.00 H ATOM 18 HE3 LYS A 5 -1.338 8.057 15.289 1.00 0.00 H ATOM 19 HZ1 LYS A 5 -1.464 6.754 12.601 1.00 0.00 H ATOM 20 HZ2 LYS A 5 -0.306 7.896 13.092 1.00 0.00 H ATOM 21 HZ3 LYS A 5 -0.367 6.373 13.842 1.00 0.00 H ATOM 22 HN3 LYS A 5 -1.877 12.243 10.555 1.00 0.00 H ATOM 23 HN2 LYS A 5 -1.098 13.489 11.408 1.00 0.00 H ATOM 24 HN1 LYS A 5 -2.388 12.647 12.124 1.00 0.00 H ATOM 25 N ALA A 6 0.399 11.638 9.842 1.00 14.92 N ATOM 26 CA ALA A 6 1.519 11.484 8.909 1.00 13.08 C ATOM 27 C ALA A 6 2.490 12.631 9.076 1.00 11.75 C ATOM 28 O ALA A 6 2.114 13.766 9.245 1.00 11.88 O ATOM 29 CB ALA A 6 1.053 11.377 7.439 1.00 12.85 C ATOM 30 HA ALA A 6 2.019 10.546 9.150 1.00 0.00 H ATOM 31 HB1 ALA A 6 0.401 10.511 7.328 1.00 0.00 H ATOM 32 HB2 ALA A 6 0.509 12.281 7.165 1.00 0.00 H ATOM 33 HB3 ALA A 6 1.922 11.264 6.791 1.00 0.00 H ATOM 34 H ALA A 6 -0.547 11.890 9.491 1.00 0.00 H ATOM 35 N VAL A 7 3.760 12.313 9.032 1.00 10.74 N ATOM 36 CA VAL A 7 4.775 13.348 8.934 1.00 9.88 C ATOM 37 C VAL A 7 5.688 13.140 7.687 1.00 9.75 C ATOM 38 O VAL A 7 6.539 12.204 7.693 1.00 9.87 O ATOM 39 CB VAL A 7 5.575 13.381 10.241 1.00 9.87 C ATOM 40 CG1 VAL A 7 6.765 14.314 10.117 1.00 8.36 C ATOM 41 CG2 VAL A 7 4.638 13.774 11.428 1.00 7.94 C ATOM 42 HA VAL A 7 4.295 14.316 8.792 1.00 0.00 H ATOM 43 HB VAL A 7 5.972 12.387 10.447 1.00 0.00 H ATOM 44 HG11 VAL A 7 7.415 13.967 9.314 1.00 0.00 H ATOM 45 HG12 VAL A 7 6.414 15.321 9.892 1.00 0.00 H ATOM 46 HG13 VAL A 7 7.318 14.322 11.056 1.00 0.00 H ATOM 47 HG21 VAL A 7 4.212 14.760 11.242 1.00 0.00 H ATOM 48 HG22 VAL A 7 3.836 13.040 11.515 1.00 0.00 H ATOM 49 HG23 VAL A 7 5.215 13.795 12.353 1.00 0.00 H ATOM 50 H VAL A 7 4.044 11.313 9.067 1.00 0.00 H ATOM 51 N ILE A 8 5.494 13.932 6.613 1.00 7.96 N ATOM 52 CA ILE A 8 6.408 13.757 5.449 1.00 8.47 C ATOM 53 C ILE A 8 7.824 14.415 5.708 1.00 7.74 C ATOM 54 O ILE A 8 7.939 15.630 5.793 1.00 7.65 O ATOM 55 CB ILE A 8 5.875 14.281 4.110 1.00 8.24 C ATOM 56 CG1 ILE A 8 4.675 13.547 3.652 1.00 9.79 C ATOM 57 CG2 ILE A 8 6.829 14.022 2.978 1.00 6.10 C ATOM 58 CD1 ILE A 8 3.691 13.337 4.619 1.00 12.65 C ATOM 59 HA ILE A 8 6.490 12.674 5.360 1.00 0.00 H ATOM 60 HB ILE A 8 5.696 15.338 4.308 1.00 0.00 H ATOM 61 HG12 ILE A 8 4.227 14.112 2.835 1.00 0.00 H ATOM 62 HG13 ILE A 8 4.997 12.573 3.284 1.00 0.00 H ATOM 63 HD11 ILE A 8 4.110 12.758 5.442 1.00 0.00 H ATOM 64 HD12 ILE A 8 3.339 14.299 4.992 1.00 0.00 H ATOM 65 HD13 ILE A 8 2.858 12.791 4.176 1.00 0.00 H ATOM 66 HG21 ILE A 8 7.777 14.519 3.183 1.00 0.00 H ATOM 67 HG22 ILE A 8 6.993 12.949 2.881 1.00 0.00 H ATOM 68 HG23 ILE A 8 6.406 14.411 2.052 1.00 0.00 H ATOM 69 H ILE A 8 4.733 14.640 6.598 1.00 0.00 H ATOM 70 N LYS A 9 8.864 13.595 5.788 1.00 6.14 N ATOM 71 CA LYS A 9 10.178 14.058 6.011 1.00 6.41 C ATOM 72 C LYS A 9 10.730 14.712 4.741 1.00 5.87 C ATOM 73 O LYS A 9 11.031 15.901 4.750 1.00 5.86 O ATOM 74 CB LYS A 9 11.063 12.872 6.451 1.00 8.27 C ATOM 75 CG LYS A 9 10.928 12.435 7.896 1.00 10.13 C ATOM 76 CD LYS A 9 11.786 13.339 8.810 1.00 13.05 C ATOM 77 CE LYS A 9 11.067 13.538 10.220 1.00 17.36 C ATOM 78 NZ LYS A 9 12.023 13.685 11.402 1.00 11.75 N ATOM 79 HA LYS A 9 10.175 14.810 6.800 1.00 0.00 H ATOM 80 HB2 LYS A 9 10.813 12.019 5.821 1.00 0.00 H ATOM 81 HB3 LYS A 9 12.103 13.153 6.284 1.00 0.00 H ATOM 82 HG2 LYS A 9 9.883 12.506 8.198 1.00 0.00 H ATOM 83 HG3 LYS A 9 11.264 11.402 7.993 1.00 0.00 H ATOM 84 HD2 LYS A 9 12.760 12.874 8.965 1.00 0.00 H ATOM 85 HD3 LYS A 9 11.920 14.310 8.333 1.00 0.00 H ATOM 86 HE2 LYS A 9 10.429 12.673 10.403 1.00 0.00 H ATOM 87 HE3 LYS A 9 10.452 14.436 10.165 1.00 0.00 H ATOM 88 HZ1 LYS A 9 12.611 12.831 11.479 1.00 0.00 H ATOM 89 HZ2 LYS A 9 12.632 14.514 11.252 1.00 0.00 H ATOM 90 HZ3 LYS A 9 11.474 13.810 12.277 1.00 0.00 H ATOM 91 H LYS A 9 8.705 12.573 5.682 1.00 0.00 H ATOM 92 N ASN A 10 10.771 13.924 3.641 1.00 5.01 N ATOM 93 CA ASN A 10 11.300 14.212 2.338 1.00 3.28 C ATOM 94 C ASN A 10 10.437 13.600 1.245 1.00 2.71 C ATOM 95 O ASN A 10 9.759 12.617 1.466 1.00 2.00 O ATOM 96 CB ASN A 10 12.709 13.664 2.192 1.00 5.39 C ATOM 97 CG ASN A 10 13.544 14.376 1.059 1.00 5.91 C ATOM 98 OD1 ASN A 10 13.045 15.244 0.367 1.00 8.41 O ATOM 99 ND2 ASN A 10 14.807 14.027 0.942 1.00 3.50 N ATOM 100 HA ASN A 10 11.309 15.297 2.233 1.00 0.00 H ATOM 101 HB2 ASN A 10 13.231 13.795 3.140 1.00 0.00 H ATOM 102 HB3 ASN A 10 12.644 12.601 1.958 1.00 0.00 H ATOM 103 HD22 ASN A 10 15.199 13.281 1.551 1.00 0.00 H ATOM 104 HD21 ASN A 10 15.414 14.498 0.240 1.00 0.00 H ATOM 105 H ASN A 10 10.361 12.975 3.756 1.00 0.00 H ATOM 106 N ALA A 11 10.434 14.222 0.051 1.00 2.07 N ATOM 107 CA ALA A 11 9.619 13.745 -1.080 1.00 2.00 C ATOM 108 C ALA A 11 10.010 14.442 -2.308 1.00 2.00 C ATOM 109 O ALA A 11 10.458 15.580 -2.254 1.00 3.55 O ATOM 110 CB ALA A 11 8.132 13.988 -0.885 1.00 2.00 C ATOM 111 HA ALA A 11 9.797 12.672 -1.145 1.00 0.00 H ATOM 112 HB1 ALA A 11 7.794 13.466 0.010 1.00 0.00 H ATOM 113 HB2 ALA A 11 7.951 15.057 -0.774 1.00 0.00 H ATOM 114 HB3 ALA A 11 7.587 13.614 -1.752 1.00 0.00 H ATOM 115 H ALA A 11 11.026 15.067 -0.077 1.00 0.00 H ATOM 116 N ASP A 12 9.844 13.735 -3.412 1.00 2.00 N ATOM 117 CA ASP A 12 9.867 14.235 -4.722 1.00 2.00 C ATOM 118 C ASP A 12 8.698 13.480 -5.435 1.00 2.28 C ATOM 119 O ASP A 12 8.857 12.419 -6.087 1.00 2.63 O ATOM 120 CB ASP A 12 11.242 14.034 -5.336 1.00 2.00 C ATOM 121 CG ASP A 12 11.259 14.187 -6.851 1.00 2.22 C ATOM 122 OD1 ASP A 12 10.585 15.106 -7.413 1.00 4.63 O ATOM 123 OD2 ASP A 12 11.963 13.378 -7.491 1.00 3.03 O ATOM 124 HA ASP A 12 9.711 15.311 -4.804 1.00 0.00 H ATOM 125 HB2 ASP A 12 11.923 14.769 -4.907 1.00 0.00 H ATOM 126 HB3 ASP A 12 11.588 13.031 -5.086 1.00 0.00 H ATOM 127 H ASP A 12 9.681 12.714 -3.299 1.00 0.00 H ATOM 128 N MET A 13 7.499 14.030 -5.296 1.00 20.00 N ATOM 129 CA MET A 13 6.303 13.312 -5.718 1.00 20.00 C ATOM 130 C MET A 13 5.059 14.168 -5.555 1.00 20.00 C ATOM 131 O MET A 13 4.823 14.740 -4.491 1.00 2.00 O ATOM 132 CB MET A 13 6.153 12.010 -4.929 1.00 20.00 C ATOM 133 CG MET A 13 4.770 11.386 -5.019 1.00 20.00 C ATOM 134 SD MET A 13 4.437 10.235 -3.672 1.00 20.00 S ATOM 135 CE MET A 13 5.526 8.881 -4.107 1.00 20.00 C ATOM 136 HA MET A 13 6.415 13.074 -6.776 1.00 0.00 H ATOM 137 HB2 MET A 13 6.878 11.292 -5.312 1.00 0.00 H ATOM 138 HB3 MET A 13 6.368 12.218 -3.881 1.00 0.00 H ATOM 139 HG2 MET A 13 4.690 10.849 -5.964 1.00 0.00 H ATOM 140 HG3 MET A 13 4.026 12.182 -4.990 1.00 0.00 H ATOM 141 HE1 MET A 13 5.250 8.496 -5.089 1.00 0.00 H ATOM 142 HE2 MET A 13 6.556 9.238 -4.132 1.00 0.00 H ATOM 143 HE3 MET A 13 5.433 8.088 -3.365 1.00 0.00 H ATOM 144 H MET A 13 7.412 14.980 -4.883 1.00 0.00 H ATOM 145 N SER A 14 4.262 14.254 -6.614 1.00 2.00 N ATOM 146 CA SER A 14 3.051 15.110 -6.579 1.00 2.00 C ATOM 147 C SER A 14 2.308 15.002 -5.195 1.00 2.00 C ATOM 148 O SER A 14 2.219 13.948 -4.526 1.00 2.23 O ATOM 149 CB SER A 14 2.129 14.825 -7.781 1.00 2.00 C ATOM 150 OG SER A 14 1.563 13.529 -7.846 1.00 2.00 O ATOM 151 HA SER A 14 3.368 16.149 -6.674 1.00 0.00 H ATOM 152 HB2 SER A 14 2.711 14.979 -8.690 1.00 0.00 H ATOM 153 HB3 SER A 14 1.310 15.544 -7.749 1.00 0.00 H ATOM 154 HG SER A 14 2.287 12.856 -7.893 1.00 0.00 H ATOM 155 H SER A 14 4.489 13.717 -7.475 1.00 0.00 H ATOM 156 N GLU A 15 1.862 16.143 -4.732 1.00 2.00 N ATOM 157 CA GLU A 15 1.144 16.219 -3.506 1.00 2.41 C ATOM 158 C GLU A 15 -0.039 15.185 -3.365 1.00 3.95 C ATOM 159 O GLU A 15 -0.517 14.907 -2.242 1.00 3.53 O ATOM 160 CB GLU A 15 0.581 17.623 -3.374 1.00 2.04 C ATOM 161 CG GLU A 15 1.431 18.653 -2.662 1.00 2.88 C ATOM 162 CD GLU A 15 2.034 18.163 -1.374 1.00 2.00 C ATOM 163 OE1 GLU A 15 1.504 17.231 -0.738 1.00 2.00 O ATOM 164 OE2 GLU A 15 3.092 18.697 -1.048 1.00 2.16 O ATOM 165 HA GLU A 15 1.853 15.971 -2.717 1.00 0.00 H ATOM 166 HB2 GLU A 15 0.392 17.995 -4.381 1.00 0.00 H ATOM 167 HB3 GLU A 15 -0.362 17.547 -2.833 1.00 0.00 H ATOM 168 HG2 GLU A 15 2.240 18.950 -3.329 1.00 0.00 H ATOM 169 HG3 GLU A 15 0.807 19.519 -2.441 1.00 0.00 H ATOM 170 H GLU A 15 2.037 17.014 -5.273 1.00 0.00 H ATOM 171 N GLU A 16 -0.594 14.741 -4.505 1.00 4.80 N ATOM 172 CA GLU A 16 -1.750 13.861 -4.492 1.00 5.22 C ATOM 173 C GLU A 16 -1.325 12.457 -4.568 1.00 4.98 C ATOM 174 O GLU A 16 -1.983 11.598 -4.000 1.00 5.79 O ATOM 175 CB GLU A 16 -2.708 14.114 -5.692 1.00 6.94 C ATOM 176 CG GLU A 16 -2.262 13.854 -7.093 1.00 7.04 C ATOM 177 CD GLU A 16 -3.506 13.762 -8.043 1.00 10.68 C ATOM 178 OE1 GLU A 16 -4.559 13.311 -7.524 1.00 8.93 O ATOM 179 OE2 GLU A 16 -3.438 14.144 -9.271 1.00 12.12 O ATOM 180 HA GLU A 16 -2.276 14.071 -3.561 1.00 0.00 H ATOM 181 HB2 GLU A 16 -3.587 13.492 -5.525 1.00 0.00 H ATOM 182 HB3 GLU A 16 -2.994 15.165 -5.646 1.00 0.00 H ATOM 183 HG2 GLU A 16 -1.615 14.667 -7.423 1.00 0.00 H ATOM 184 HG3 GLU A 16 -1.710 12.915 -7.128 1.00 0.00 H ATOM 185 H GLU A 16 -0.187 15.033 -5.416 1.00 0.00 H ATOM 186 N MET A 17 -0.220 12.199 -5.251 1.00 5.12 N ATOM 187 CA MET A 17 0.410 10.856 -5.187 1.00 3.79 C ATOM 188 C MET A 17 0.895 10.601 -3.763 1.00 3.44 C ATOM 189 O MET A 17 0.757 9.452 -3.242 1.00 3.70 O ATOM 190 CB MET A 17 1.544 10.657 -6.242 1.00 3.25 C ATOM 191 CG MET A 17 2.331 9.334 -6.032 1.00 4.40 C ATOM 192 SD MET A 17 3.419 8.692 -7.383 1.00 7.63 S ATOM 193 CE MET A 17 2.494 9.169 -8.850 1.00 2.00 C ATOM 194 HA MET A 17 -0.344 10.114 -5.448 1.00 0.00 H ATOM 195 HB2 MET A 17 1.098 10.644 -7.236 1.00 0.00 H ATOM 196 HB3 MET A 17 2.240 11.493 -6.169 1.00 0.00 H ATOM 197 HG2 MET A 17 1.595 8.558 -5.822 1.00 0.00 H ATOM 198 HG3 MET A 17 2.965 9.478 -5.157 1.00 0.00 H ATOM 199 HE1 MET A 17 1.511 8.698 -8.828 1.00 0.00 H ATOM 200 HE2 MET A 17 2.378 10.253 -8.869 1.00 0.00 H ATOM 201 HE3 MET A 17 3.034 8.845 -9.740 1.00 0.00 H ATOM 202 H MET A 17 0.210 12.943 -5.837 1.00 0.00 H ATOM 203 N GLN A 18 1.418 11.644 -3.126 1.00 3.49 N ATOM 204 CA GLN A 18 1.761 11.584 -1.675 1.00 4.22 C ATOM 205 C GLN A 18 0.548 11.221 -0.757 1.00 3.80 C ATOM 206 O GLN A 18 0.630 10.314 0.059 1.00 4.81 O ATOM 207 CB GLN A 18 2.427 12.897 -1.182 1.00 3.72 C ATOM 208 CG GLN A 18 3.868 13.209 -1.617 1.00 6.65 C ATOM 209 CD GLN A 18 4.328 14.506 -1.007 1.00 7.84 C ATOM 210 OE1 GLN A 18 4.245 14.663 0.218 1.00 7.58 O ATOM 211 NE2 GLN A 18 4.730 15.489 -1.852 1.00 6.62 N ATOM 212 HA GLN A 18 2.480 10.769 -1.590 1.00 0.00 H ATOM 213 HB2 GLN A 18 1.803 13.721 -1.527 1.00 0.00 H ATOM 214 HB3 GLN A 18 2.421 12.869 -0.092 1.00 0.00 H ATOM 215 HG2 GLN A 18 4.525 12.404 -1.289 1.00 0.00 H ATOM 216 HG3 GLN A 18 3.907 13.288 -2.703 1.00 0.00 H ATOM 217 HE22 GLN A 18 4.783 15.306 -2.874 1.00 0.00 H ATOM 218 HE21 GLN A 18 4.985 16.425 -1.477 1.00 0.00 H ATOM 219 H GLN A 18 1.592 12.524 -3.652 1.00 0.00 H ATOM 220 N GLN A 19 -0.549 11.944 -0.863 1.00 2.56 N ATOM 221 CA GLN A 19 -1.723 11.558 -0.127 1.00 3.99 C ATOM 222 C GLN A 19 -2.087 10.066 -0.370 1.00 4.32 C ATOM 223 O GLN A 19 -2.503 9.314 0.542 1.00 4.24 O ATOM 224 CB GLN A 19 -2.931 12.460 -0.480 1.00 4.12 C ATOM 225 CG GLN A 19 -4.120 12.130 0.293 1.00 2.02 C ATOM 226 CD GLN A 19 -3.851 12.457 1.751 1.00 5.31 C ATOM 227 OE1 GLN A 19 -3.923 11.581 2.651 1.00 4.04 O ATOM 228 NE2 GLN A 19 -3.496 13.727 1.993 1.00 2.00 N ATOM 229 HA GLN A 19 -1.489 11.686 0.930 1.00 0.00 H ATOM 230 HB2 GLN A 19 -2.662 13.498 -0.282 1.00 0.00 H ATOM 231 HB3 GLN A 19 -3.159 12.341 -1.539 1.00 0.00 H ATOM 232 HG2 GLN A 19 -4.967 12.715 -0.066 1.00 0.00 H ATOM 233 HG3 GLN A 19 -4.344 11.068 0.189 1.00 0.00 H ATOM 234 HE22 GLN A 19 -3.452 14.412 1.212 1.00 0.00 H ATOM 235 HE21 GLN A 19 -3.265 14.027 2.962 1.00 0.00 H ATOM 236 H GLN A 19 -0.566 12.786 -1.473 1.00 0.00 H ATOM 237 N ASP A 20 -2.004 9.679 -1.628 1.00 3.53 N ATOM 238 CA ASP A 20 -2.265 8.323 -1.998 1.00 4.89 C ATOM 239 C ASP A 20 -1.395 7.324 -1.213 1.00 4.91 C ATOM 240 O ASP A 20 -1.898 6.352 -0.617 1.00 3.56 O ATOM 241 CB ASP A 20 -1.971 8.204 -3.459 1.00 6.31 C ATOM 242 CG ASP A 20 -2.959 7.334 -4.154 1.00 11.50 C ATOM 243 OD1 ASP A 20 -4.089 7.837 -4.345 1.00 9.31 O ATOM 244 OD2 ASP A 20 -2.619 6.132 -4.436 1.00 20.18 O ATOM 245 HA ASP A 20 -3.303 8.081 -1.769 1.00 0.00 H ATOM 246 HB2 ASP A 20 -1.999 9.197 -3.907 1.00 0.00 H ATOM 247 HB3 ASP A 20 -0.976 7.778 -3.585 1.00 0.00 H ATOM 248 H ASP A 20 -1.745 10.370 -2.361 1.00 0.00 H ATOM 249 N ALA A 21 -0.059 7.598 -1.207 1.00 5.34 N ATOM 250 CA ALA A 21 0.924 6.859 -0.408 1.00 3.98 C ATOM 251 C ALA A 21 0.480 6.699 1.040 1.00 3.63 C ATOM 252 O ALA A 21 0.501 5.576 1.592 1.00 3.74 O ATOM 253 CB ALA A 21 2.299 7.535 -0.456 1.00 4.18 C ATOM 254 HA ALA A 21 1.001 5.866 -0.851 1.00 0.00 H ATOM 255 HB1 ALA A 21 2.648 7.574 -1.488 1.00 0.00 H ATOM 256 HB2 ALA A 21 2.219 8.547 -0.060 1.00 0.00 H ATOM 257 HB3 ALA A 21 3.005 6.963 0.146 1.00 0.00 H ATOM 258 H ALA A 21 0.283 8.377 -1.805 1.00 0.00 H ATOM 259 N VAL A 22 0.145 7.828 1.658 1.00 2.48 N ATOM 260 CA VAL A 22 -0.260 7.867 3.071 1.00 2.35 C ATOM 261 C VAL A 22 -1.583 7.125 3.354 1.00 2.00 C ATOM 262 O VAL A 22 -1.664 6.442 4.356 1.00 2.00 O ATOM 263 CB VAL A 22 -0.382 9.330 3.589 1.00 2.00 C ATOM 264 CG1 VAL A 22 -1.178 9.379 4.913 1.00 2.00 C ATOM 265 CG2 VAL A 22 1.008 9.937 3.698 1.00 3.49 C ATOM 266 HA VAL A 22 0.534 7.347 3.606 1.00 0.00 H ATOM 267 HB VAL A 22 -0.949 9.935 2.881 1.00 0.00 H ATOM 268 HG11 VAL A 22 -2.179 8.979 4.749 1.00 0.00 H ATOM 269 HG12 VAL A 22 -0.665 8.781 5.666 1.00 0.00 H ATOM 270 HG13 VAL A 22 -1.249 10.412 5.254 1.00 0.00 H ATOM 271 HG21 VAL A 22 1.606 9.349 4.395 1.00 0.00 H ATOM 272 HG22 VAL A 22 1.483 9.933 2.717 1.00 0.00 H ATOM 273 HG23 VAL A 22 0.928 10.962 4.060 1.00 0.00 H ATOM 274 H VAL A 22 0.170 8.718 1.121 1.00 0.00 H ATOM 275 N ASP A 23 -2.589 7.270 2.484 1.00 2.00 N ATOM 276 CA ASP A 23 -3.823 6.483 2.528 1.00 2.00 C ATOM 277 C ASP A 23 -3.532 4.997 2.511 1.00 2.00 C ATOM 278 O ASP A 23 -3.993 4.265 3.338 1.00 2.00 O ATOM 279 CB ASP A 23 -4.743 6.744 1.345 1.00 2.00 C ATOM 280 CG ASP A 23 -5.280 8.167 1.265 1.00 3.72 C ATOM 281 OD1 ASP A 23 -5.152 8.894 2.291 1.00 2.00 O ATOM 282 OD2 ASP A 23 -5.849 8.520 0.159 1.00 3.30 O ATOM 283 HA ASP A 23 -4.309 6.791 3.454 1.00 0.00 H ATOM 284 HB2 ASP A 23 -4.188 6.537 0.430 1.00 0.00 H ATOM 285 HB3 ASP A 23 -5.591 6.063 1.416 1.00 0.00 H ATOM 286 H ASP A 23 -2.489 7.983 1.733 1.00 0.00 H ATOM 287 N CYS A 24 -2.806 4.574 1.488 1.00 2.01 N ATOM 288 CA CYS A 24 -2.253 3.248 1.369 1.00 3.49 C ATOM 289 C CYS A 24 -1.512 2.631 2.611 1.00 3.19 C ATOM 290 O CYS A 24 -1.656 1.418 2.954 1.00 3.54 O ATOM 291 CB CYS A 24 -1.234 3.262 0.225 1.00 4.35 C ATOM 292 SG CYS A 24 -0.985 1.571 -0.381 1.00 6.29 S ATOM 293 HA CYS A 24 -3.133 2.621 1.222 1.00 0.00 H ATOM 294 HB2 CYS A 24 -0.287 3.662 0.586 1.00 0.00 H ATOM 295 HB3 CYS A 24 -1.606 3.888 -0.586 1.00 0.00 H ATOM 296 HG CYS A 24 -0.067 1.584 -1.411 1.00 0.00 H ATOM 297 H CYS A 24 -2.622 5.246 0.716 1.00 0.00 H ATOM 298 N ALA A 25 -0.687 3.453 3.237 1.00 3.05 N ATOM 299 CA ALA A 25 0.095 3.087 4.379 1.00 2.31 C ATOM 300 C ALA A 25 -0.796 3.044 5.582 1.00 2.39 C ATOM 301 O ALA A 25 -0.493 2.284 6.523 1.00 2.50 O ATOM 302 CB ALA A 25 1.270 4.078 4.590 1.00 2.35 C ATOM 303 HA ALA A 25 0.532 2.102 4.218 1.00 0.00 H ATOM 304 HB1 ALA A 25 1.912 4.071 3.709 1.00 0.00 H ATOM 305 HB2 ALA A 25 0.874 5.082 4.744 1.00 0.00 H ATOM 306 HB3 ALA A 25 1.846 3.775 5.464 1.00 0.00 H ATOM 307 H ALA A 25 -0.601 4.425 2.878 1.00 0.00 H ATOM 308 N THR A 26 -1.866 3.858 5.580 1.00 2.00 N ATOM 309 CA THR A 26 -2.873 3.815 6.682 1.00 2.01 C ATOM 310 C THR A 26 -3.664 2.540 6.641 1.00 2.35 C ATOM 311 O THR A 26 -3.881 1.962 7.711 1.00 2.96 O ATOM 312 CB THR A 26 -3.885 4.987 6.662 1.00 2.02 C ATOM 313 OG1 THR A 26 -3.173 6.216 6.438 1.00 3.60 O ATOM 314 CG2 THR A 26 -4.556 5.055 7.958 1.00 2.00 C ATOM 315 HA THR A 26 -2.280 3.890 7.594 1.00 0.00 H ATOM 316 HB THR A 26 -4.618 4.833 5.870 1.00 0.00 H ATOM 317 HG1 THR A 26 -2.699 6.168 5.570 1.00 0.00 H ATOM 318 HG23 THR A 26 -5.098 4.126 8.134 1.00 0.00 H ATOM 319 HG21 THR A 26 -3.814 5.199 8.743 1.00 0.00 H ATOM 320 HG22 THR A 26 -5.255 5.891 7.960 1.00 0.00 H ATOM 321 H THR A 26 -1.995 4.530 4.797 1.00 0.00 H ATOM 322 N GLN A 27 -4.095 2.134 5.425 1.00 2.47 N ATOM 323 CA GLN A 27 -4.779 0.898 5.137 1.00 3.45 C ATOM 324 C GLN A 27 -3.940 -0.291 5.582 1.00 2.36 C ATOM 325 O GLN A 27 -4.391 -1.207 6.270 1.00 2.00 O ATOM 326 CB GLN A 27 -5.046 0.744 3.655 1.00 4.21 C ATOM 327 CG GLN A 27 -6.173 1.593 3.084 1.00 10.68 C ATOM 328 CD GLN A 27 -6.345 1.413 1.528 1.00 15.12 C ATOM 329 OE1 GLN A 27 -5.359 1.177 0.742 1.00 10.03 O ATOM 330 NE2 GLN A 27 -7.615 1.526 1.094 1.00 14.08 N ATOM 331 HA GLN A 27 -5.724 0.927 5.679 1.00 0.00 H ATOM 332 HB2 GLN A 27 -4.131 1.004 3.123 1.00 0.00 H ATOM 333 HB3 GLN A 27 -5.289 -0.302 3.467 1.00 0.00 H ATOM 334 HG2 GLN A 27 -7.105 1.309 3.573 1.00 0.00 H ATOM 335 HG3 GLN A 27 -5.959 2.641 3.292 1.00 0.00 H ATOM 336 HE22 GLN A 27 -8.381 1.718 1.771 1.00 0.00 H ATOM 337 HE21 GLN A 27 -7.830 1.421 0.082 1.00 0.00 H ATOM 338 H GLN A 27 -3.917 2.772 4.624 1.00 0.00 H ATOM 339 N ALA A 28 -2.688 -0.249 5.104 1.00 2.35 N ATOM 340 CA ALA A 28 -1.673 -1.263 5.388 1.00 2.00 C ATOM 341 C ALA A 28 -1.568 -1.569 6.944 1.00 2.12 C ATOM 342 O ALA A 28 -1.654 -2.725 7.377 1.00 2.00 O ATOM 343 CB ALA A 28 -0.417 -0.801 4.835 1.00 2.00 C ATOM 344 HA ALA A 28 -1.949 -2.209 4.923 1.00 0.00 H ATOM 345 HB1 ALA A 28 -0.524 -0.664 3.759 1.00 0.00 H ATOM 346 HB2 ALA A 28 -0.144 0.147 5.298 1.00 0.00 H ATOM 347 HB3 ALA A 28 0.359 -1.540 5.033 1.00 0.00 H ATOM 348 H ALA A 28 -2.423 0.552 4.496 1.00 0.00 H ATOM 349 N LEU A 29 -1.520 -0.517 7.774 1.00 2.73 N ATOM 350 CA LEU A 29 -1.448 -0.590 9.261 1.00 2.45 C ATOM 351 C LEU A 29 -2.759 -1.044 9.918 1.00 2.86 C ATOM 352 O LEU A 29 -2.808 -1.662 11.044 1.00 2.01 O ATOM 353 CB LEU A 29 -0.958 0.778 9.840 1.00 3.38 C ATOM 354 CG LEU A 29 0.473 1.160 9.279 1.00 5.10 C ATOM 355 CD1 LEU A 29 1.019 2.483 9.814 1.00 7.98 C ATOM 356 CD2 LEU A 29 1.404 0.116 9.631 1.00 2.00 C ATOM 357 HA LEU A 29 -0.721 -1.364 9.507 1.00 0.00 H ATOM 358 HB2 LEU A 29 -1.668 1.557 9.562 1.00 0.00 H ATOM 359 HB3 LEU A 29 -0.906 0.706 10.926 1.00 0.00 H ATOM 360 HG LEU A 29 0.360 1.273 8.201 1.00 0.00 H ATOM 361 HD21 LEU A 29 1.446 0.019 10.716 1.00 0.00 H ATOM 362 HD22 LEU A 29 1.074 -0.826 9.193 1.00 0.00 H ATOM 363 HD23 LEU A 29 2.393 0.369 9.249 1.00 0.00 H ATOM 364 HD11 LEU A 29 0.340 3.291 9.542 1.00 0.00 H ATOM 365 HD12 LEU A 29 1.103 2.428 10.899 1.00 0.00 H ATOM 366 HD13 LEU A 29 2.002 2.671 9.381 1.00 0.00 H ATOM 367 H LEU A 29 -1.534 0.430 7.344 1.00 0.00 H ATOM 368 N GLU A 30 -3.899 -0.753 9.257 1.00 20.00 N ATOM 369 CA GLU A 30 -5.155 -1.286 9.769 1.00 20.00 C ATOM 370 C GLU A 30 -5.212 -2.802 9.622 1.00 20.00 C ATOM 371 O GLU A 30 -5.921 -3.566 10.264 1.00 2.56 O ATOM 372 CB GLU A 30 -6.342 -0.642 9.050 1.00 20.00 C ATOM 373 CG GLU A 30 -6.490 0.849 9.308 1.00 20.00 C ATOM 374 CD GLU A 30 -7.702 1.442 8.613 1.00 20.00 C ATOM 375 OE1 GLU A 30 -7.820 1.279 7.381 1.00 20.00 O ATOM 376 OE2 GLU A 30 -8.533 2.072 9.300 1.00 20.00 O ATOM 377 HA GLU A 30 -5.211 -1.045 10.831 1.00 0.00 H ATOM 378 HB2 GLU A 30 -6.216 -0.793 7.978 1.00 0.00 H ATOM 379 HB3 GLU A 30 -7.254 -1.139 9.381 1.00 0.00 H ATOM 380 HG2 GLU A 30 -6.589 1.010 10.381 1.00 0.00 H ATOM 381 HG3 GLU A 30 -5.596 1.357 8.946 1.00 0.00 H ATOM 382 H GLU A 30 -3.882 -0.162 8.402 1.00 0.00 H ATOM 383 N LYS A 31 -4.341 -3.333 8.726 1.00 5.20 N ATOM 384 CA LYS A 31 -4.499 -4.683 8.248 1.00 6.37 C ATOM 385 C LYS A 31 -3.303 -5.546 8.661 1.00 5.84 C ATOM 386 O LYS A 31 -3.475 -6.726 8.955 1.00 4.89 O ATOM 387 CB LYS A 31 -4.689 -4.654 6.721 1.00 6.54 C ATOM 388 CG LYS A 31 -4.998 -5.997 6.089 1.00 11.19 C ATOM 389 CD LYS A 31 -5.869 -5.785 4.801 1.00 17.11 C ATOM 390 CE LYS A 31 -5.737 -6.925 3.753 1.00 14.08 C ATOM 391 NZ LYS A 31 -4.607 -6.629 2.795 1.00 7.68 N ATOM 392 HA LYS A 31 -5.383 -5.135 8.698 1.00 0.00 H ATOM 393 HB2 LYS A 31 -5.512 -3.976 6.495 1.00 0.00 H ATOM 394 HB3 LYS A 31 -3.772 -4.272 6.273 1.00 0.00 H ATOM 395 HG2 LYS A 31 -4.066 -6.494 5.819 1.00 0.00 H ATOM 396 HG3 LYS A 31 -5.546 -6.615 6.800 1.00 0.00 H ATOM 397 HD2 LYS A 31 -6.914 -5.715 5.102 1.00 0.00 H ATOM 398 HD3 LYS A 31 -5.564 -4.850 4.331 1.00 0.00 H ATOM 399 HE2 LYS A 31 -6.669 -7.010 3.195 1.00 0.00 H ATOM 400 HE3 LYS A 31 -5.536 -7.865 4.267 1.00 0.00 H ATOM 401 HZ1 LYS A 31 -4.798 -5.734 2.301 1.00 0.00 H ATOM 402 HZ2 LYS A 31 -3.716 -6.550 3.326 1.00 0.00 H ATOM 403 HZ3 LYS A 31 -4.532 -7.400 2.101 1.00 0.00 H ATOM 404 H LYS A 31 -3.548 -2.757 8.379 1.00 0.00 H ATOM 405 N TYR A 32 -2.118 -4.933 8.732 1.00 5.89 N ATOM 406 CA TYR A 32 -0.835 -5.684 9.029 1.00 6.38 C ATOM 407 C TYR A 32 -0.020 -5.154 10.217 1.00 6.58 C ATOM 408 O TYR A 32 0.180 -3.955 10.382 1.00 5.96 O ATOM 409 CB TYR A 32 0.127 -5.778 7.783 1.00 4.67 C ATOM 410 CG TYR A 32 -0.563 -6.327 6.538 1.00 5.13 C ATOM 411 CD1 TYR A 32 -0.962 -7.671 6.459 1.00 3.57 C ATOM 412 CD2 TYR A 32 -0.864 -5.499 5.473 1.00 3.03 C ATOM 413 CE1 TYR A 32 -1.593 -8.180 5.341 1.00 2.38 C ATOM 414 CE2 TYR A 32 -1.513 -5.969 4.375 1.00 4.21 C ATOM 415 CZ TYR A 32 -1.910 -7.318 4.279 1.00 7.85 C ATOM 416 OH TYR A 32 -2.590 -7.791 3.074 1.00 4.44 O ATOM 417 HA TYR A 32 -1.208 -6.672 9.297 1.00 0.00 H ATOM 418 HB3 TYR A 32 0.961 -6.433 8.036 1.00 0.00 H ATOM 419 HB2 TYR A 32 0.505 -4.780 7.560 1.00 0.00 H ATOM 420 HD2 TYR A 32 -0.575 -4.449 5.514 1.00 0.00 H ATOM 421 HE2 TYR A 32 -1.731 -5.289 3.552 1.00 0.00 H ATOM 422 HE1 TYR A 32 -1.842 -9.240 5.284 1.00 0.00 H ATOM 423 HD1 TYR A 32 -0.768 -8.331 7.304 1.00 0.00 H ATOM 424 HH TYR A 32 -2.797 -8.754 3.170 1.00 0.00 H ATOM 425 H TYR A 32 -2.074 -3.905 8.578 1.00 0.00 H ATOM 426 N ASN A 33 0.506 -6.115 10.977 1.00 7.12 N ATOM 427 CA ASN A 33 1.325 -5.875 12.161 1.00 7.58 C ATOM 428 C ASN A 33 2.834 -5.776 11.848 1.00 6.82 C ATOM 429 O ASN A 33 3.498 -4.911 12.365 1.00 7.43 O ATOM 430 CB ASN A 33 1.054 -6.952 13.303 1.00 8.37 C ATOM 431 CG ASN A 33 -0.455 -7.084 13.693 1.00 11.76 C ATOM 432 OD1 ASN A 33 -1.345 -7.100 12.826 1.00 17.07 O ATOM 433 ND2 ASN A 33 -0.737 -7.212 14.993 1.00 12.23 N ATOM 434 HA ASN A 33 1.016 -4.899 12.534 1.00 0.00 H ATOM 435 HB2 ASN A 33 1.406 -7.922 12.953 1.00 0.00 H ATOM 436 HB3 ASN A 33 1.616 -6.662 14.191 1.00 0.00 H ATOM 437 HD22 ASN A 33 0.030 -7.195 15.696 1.00 0.00 H ATOM 438 HD21 ASN A 33 -1.723 -7.329 15.302 1.00 0.00 H ATOM 439 H ASN A 33 0.320 -7.102 10.708 1.00 0.00 H ATOM 440 N ILE A 34 3.386 -6.688 11.042 1.00 6.55 N ATOM 441 CA ILE A 34 4.862 -6.861 10.935 1.00 5.50 C ATOM 442 C ILE A 34 5.382 -6.209 9.642 1.00 5.83 C ATOM 443 O ILE A 34 4.748 -6.294 8.602 1.00 5.31 O ATOM 444 CB ILE A 34 5.309 -8.347 11.033 1.00 5.43 C ATOM 445 CG1 ILE A 34 5.455 -8.970 9.667 1.00 2.00 C ATOM 446 CG2 ILE A 34 4.317 -9.167 11.955 1.00 2.73 C ATOM 447 CD1 ILE A 34 5.632 -10.428 9.753 1.00 2.00 C ATOM 448 HA ILE A 34 5.306 -6.356 11.793 1.00 0.00 H ATOM 449 HB ILE A 34 6.294 -8.377 11.499 1.00 0.00 H ATOM 450 HG12 ILE A 34 4.560 -8.756 9.083 1.00 0.00 H ATOM 451 HG13 ILE A 34 6.324 -8.537 9.171 1.00 0.00 H ATOM 452 HD11 ILE A 34 6.529 -10.650 10.331 1.00 0.00 H ATOM 453 HD12 ILE A 34 4.764 -10.870 10.242 1.00 0.00 H ATOM 454 HD13 ILE A 34 5.734 -10.840 8.749 1.00 0.00 H ATOM 455 HG21 ILE A 34 4.310 -8.733 12.955 1.00 0.00 H ATOM 456 HG22 ILE A 34 3.313 -9.127 11.533 1.00 0.00 H ATOM 457 HG23 ILE A 34 4.648 -10.204 12.010 1.00 0.00 H ATOM 458 H ILE A 34 2.765 -7.297 10.471 1.00 0.00 H ATOM 459 N GLU A 35 6.510 -5.519 9.755 1.00 6.32 N ATOM 460 CA GLU A 35 7.100 -4.674 8.706 1.00 6.32 C ATOM 461 C GLU A 35 7.023 -5.216 7.294 1.00 5.51 C ATOM 462 O GLU A 35 6.543 -4.506 6.391 1.00 5.69 O ATOM 463 CB GLU A 35 8.588 -4.455 9.008 1.00 7.68 C ATOM 464 CG GLU A 35 8.882 -3.417 10.071 1.00 12.40 C ATOM 465 CD GLU A 35 9.213 -4.019 11.372 1.00 20.71 C ATOM 466 OE1 GLU A 35 10.435 -4.208 11.681 1.00 25.69 O ATOM 467 OE2 GLU A 35 8.238 -4.297 12.098 1.00 23.90 O ATOM 468 HA GLU A 35 6.502 -3.763 8.732 1.00 0.00 H ATOM 469 HB2 GLU A 35 9.009 -5.405 9.337 1.00 0.00 H ATOM 470 HB3 GLU A 35 9.078 -4.142 8.086 1.00 0.00 H ATOM 471 HG2 GLU A 35 9.725 -2.809 9.742 1.00 0.00 H ATOM 472 HG3 GLU A 35 8.004 -2.783 10.193 1.00 0.00 H ATOM 473 H GLU A 35 7.019 -5.581 10.660 1.00 0.00 H ATOM 474 N PRO A 36 7.523 -6.460 7.052 1.00 4.86 N ATOM 475 CA PRO A 36 7.554 -7.016 5.667 1.00 2.75 C ATOM 476 C PRO A 36 6.183 -7.109 4.956 1.00 2.00 C ATOM 477 O PRO A 36 6.066 -6.933 3.706 1.00 2.00 O ATOM 478 CB PRO A 36 8.086 -8.428 5.866 1.00 2.00 C ATOM 479 CG PRO A 36 8.703 -8.432 7.174 1.00 3.27 C ATOM 480 CD PRO A 36 8.074 -7.420 8.024 1.00 4.56 C ATOM 481 HA PRO A 36 8.147 -6.361 5.029 1.00 0.00 H ATOM 482 HD3 PRO A 36 7.283 -7.857 8.633 1.00 0.00 H ATOM 483 HD2 PRO A 36 8.808 -6.942 8.672 1.00 0.00 H ATOM 484 HG3 PRO A 36 9.766 -8.211 7.074 1.00 0.00 H ATOM 485 HG2 PRO A 36 8.579 -9.415 7.629 1.00 0.00 H ATOM 486 HB2 PRO A 36 7.271 -9.151 5.828 1.00 0.00 H ATOM 487 HB3 PRO A 36 8.821 -8.670 5.098 1.00 0.00 H ATOM 488 N ASP A 37 5.170 -7.429 5.757 1.00 2.00 N ATOM 489 CA ASP A 37 3.774 -7.510 5.288 1.00 2.00 C ATOM 490 C ASP A 37 3.195 -6.169 4.900 1.00 2.06 C ATOM 491 O ASP A 37 2.448 -6.122 3.923 1.00 2.00 O ATOM 492 CB ASP A 37 2.864 -8.101 6.360 1.00 2.00 C ATOM 493 CG ASP A 37 3.297 -9.418 6.792 1.00 2.00 C ATOM 494 OD1 ASP A 37 4.200 -9.962 6.141 1.00 2.00 O ATOM 495 OD2 ASP A 37 2.714 -9.917 7.778 1.00 2.00 O ATOM 496 HA ASP A 37 3.812 -8.150 4.407 1.00 0.00 H ATOM 497 HB2 ASP A 37 2.860 -7.434 7.222 1.00 0.00 H ATOM 498 HB3 ASP A 37 1.854 -8.179 5.958 1.00 0.00 H ATOM 499 H ASP A 37 5.371 -7.631 6.757 1.00 0.00 H ATOM 500 N ILE A 38 3.506 -5.123 5.702 1.00 2.92 N ATOM 501 CA ILE A 38 3.068 -3.727 5.461 1.00 3.00 C ATOM 502 C ILE A 38 3.645 -3.236 4.171 1.00 3.65 C ATOM 503 O ILE A 38 2.995 -2.585 3.389 1.00 5.81 O ATOM 504 CB ILE A 38 3.474 -2.745 6.588 1.00 2.05 C ATOM 505 CG1 ILE A 38 2.654 -2.949 7.849 1.00 2.00 C ATOM 506 CG2 ILE A 38 3.234 -1.355 6.177 1.00 2.00 C ATOM 507 CD1 ILE A 38 3.453 -2.725 9.130 1.00 2.35 C ATOM 508 HA ILE A 38 1.979 -3.751 5.429 1.00 0.00 H ATOM 509 HB ILE A 38 4.529 -2.939 6.781 1.00 0.00 H ATOM 510 HG12 ILE A 38 1.818 -2.250 7.835 1.00 0.00 H ATOM 511 HG13 ILE A 38 2.272 -3.970 7.853 1.00 0.00 H ATOM 512 HD11 ILE A 38 4.288 -3.425 9.163 1.00 0.00 H ATOM 513 HD12 ILE A 38 3.833 -1.703 9.146 1.00 0.00 H ATOM 514 HD13 ILE A 38 2.807 -2.887 9.993 1.00 0.00 H ATOM 515 HG21 ILE A 38 3.823 -1.134 5.287 1.00 0.00 H ATOM 516 HG22 ILE A 38 2.175 -1.220 5.956 1.00 0.00 H ATOM 517 HG23 ILE A 38 3.526 -0.683 6.984 1.00 0.00 H ATOM 518 H ILE A 38 4.090 -5.311 6.542 1.00 0.00 H ATOM 519 N ALA A 39 4.920 -3.521 3.988 1.00 4.12 N ATOM 520 CA ALA A 39 5.713 -2.988 2.913 1.00 2.96 C ATOM 521 C ALA A 39 5.197 -3.550 1.578 1.00 3.00 C ATOM 522 O ALA A 39 5.007 -2.799 0.624 1.00 2.59 O ATOM 523 CB ALA A 39 7.164 -3.317 3.158 1.00 2.38 C ATOM 524 HA ALA A 39 5.627 -1.902 2.866 1.00 0.00 H ATOM 525 HB1 ALA A 39 7.481 -2.874 4.102 1.00 0.00 H ATOM 526 HB2 ALA A 39 7.287 -4.399 3.203 1.00 0.00 H ATOM 527 HB3 ALA A 39 7.769 -2.915 2.345 1.00 0.00 H ATOM 528 H ALA A 39 5.378 -4.169 4.660 1.00 0.00 H ATOM 529 N ALA A 40 4.979 -4.866 1.558 1.00 3.49 N ATOM 530 CA ALA A 40 4.569 -5.648 0.413 1.00 3.01 C ATOM 531 C ALA A 40 3.198 -5.259 0.029 1.00 4.60 C ATOM 532 O ALA A 40 2.780 -5.510 -1.098 1.00 8.55 O ATOM 533 CB ALA A 40 4.537 -7.084 0.762 1.00 2.00 C ATOM 534 HA ALA A 40 5.274 -5.471 -0.399 1.00 0.00 H ATOM 535 HB1 ALA A 40 5.531 -7.403 1.076 1.00 0.00 H ATOM 536 HB2 ALA A 40 3.830 -7.243 1.576 1.00 0.00 H ATOM 537 HB3 ALA A 40 4.227 -7.661 -0.109 1.00 0.00 H ATOM 538 H ALA A 40 5.117 -5.379 2.452 1.00 0.00 H ATOM 539 N TYR A 41 2.422 -4.769 0.968 1.00 4.15 N ATOM 540 CA TYR A 41 1.080 -4.360 0.676 1.00 3.47 C ATOM 541 C TYR A 41 1.097 -2.974 -0.005 1.00 4.24 C ATOM 542 O TYR A 41 0.540 -2.846 -1.081 1.00 5.80 O ATOM 543 CB TYR A 41 0.221 -4.322 1.940 1.00 3.75 C ATOM 544 CG TYR A 41 -1.090 -3.610 1.701 1.00 2.49 C ATOM 545 CD1 TYR A 41 -2.276 -4.320 1.643 1.00 2.00 C ATOM 546 CD2 TYR A 41 -1.119 -2.198 1.499 1.00 2.00 C ATOM 547 CE1 TYR A 41 -3.454 -3.655 1.376 1.00 2.00 C ATOM 548 CE2 TYR A 41 -2.256 -1.538 1.302 1.00 2.00 C ATOM 549 CZ TYR A 41 -3.431 -2.268 1.232 1.00 2.00 C ATOM 550 OH TYR A 41 -4.571 -1.597 0.954 1.00 2.81 O ATOM 551 HA TYR A 41 0.637 -5.091 -0.001 1.00 0.00 H ATOM 552 HB3 TYR A 41 0.769 -3.801 2.725 1.00 0.00 H ATOM 553 HB2 TYR A 41 0.016 -5.344 2.259 1.00 0.00 H ATOM 554 HD2 TYR A 41 -0.181 -1.644 1.506 1.00 0.00 H ATOM 555 HE2 TYR A 41 -2.263 -0.453 1.198 1.00 0.00 H ATOM 556 HE1 TYR A 41 -4.390 -4.205 1.279 1.00 0.00 H ATOM 557 HD1 TYR A 41 -2.279 -5.398 1.807 1.00 0.00 H ATOM 558 HH TYR A 41 -4.729 -0.914 1.653 1.00 0.00 H ATOM 559 H TYR A 41 2.787 -4.676 1.938 1.00 0.00 H ATOM 560 N ILE A 42 1.740 -1.966 0.595 1.00 4.12 N ATOM 561 CA ILE A 42 2.045 -0.671 -0.039 1.00 4.93 C ATOM 562 C ILE A 42 2.692 -0.757 -1.488 1.00 6.01 C ATOM 563 O ILE A 42 2.222 -0.176 -2.438 1.00 7.07 O ATOM 564 CB ILE A 42 2.951 0.277 0.895 1.00 6.49 C ATOM 565 CG1 ILE A 42 2.310 0.478 2.274 1.00 3.28 C ATOM 566 CG2 ILE A 42 3.305 1.601 0.133 1.00 4.38 C ATOM 567 CD1 ILE A 42 3.124 1.294 3.198 1.00 2.00 C ATOM 568 HA ILE A 42 1.058 -0.226 -0.166 1.00 0.00 H ATOM 569 HB ILE A 42 3.903 -0.210 1.106 1.00 0.00 H ATOM 570 HG12 ILE A 42 1.348 0.971 2.137 1.00 0.00 H ATOM 571 HG13 ILE A 42 2.154 -0.501 2.727 1.00 0.00 H ATOM 572 HD11 ILE A 42 4.087 0.809 3.356 1.00 0.00 H ATOM 573 HD12 ILE A 42 3.280 2.283 2.766 1.00 0.00 H ATOM 574 HD13 ILE A 42 2.603 1.390 4.151 1.00 0.00 H ATOM 575 HG21 ILE A 42 3.856 1.359 -0.776 1.00 0.00 H ATOM 576 HG22 ILE A 42 2.386 2.126 -0.127 1.00 0.00 H ATOM 577 HG23 ILE A 42 3.918 2.235 0.774 1.00 0.00 H ATOM 578 H ILE A 42 2.046 -2.106 1.579 1.00 0.00 H ATOM 579 N LYS A 43 3.801 -1.477 -1.635 1.00 6.40 N ATOM 580 CA LYS A 43 4.504 -1.735 -2.898 1.00 5.12 C ATOM 581 C LYS A 43 3.571 -2.260 -3.964 1.00 6.08 C ATOM 582 O LYS A 43 3.427 -1.646 -5.047 1.00 6.53 O ATOM 583 CB LYS A 43 5.674 -2.708 -2.616 1.00 4.91 C ATOM 584 CG LYS A 43 6.634 -3.052 -3.785 1.00 4.18 C ATOM 585 CD LYS A 43 6.014 -4.037 -4.737 1.00 2.33 C ATOM 586 CE LYS A 43 7.092 -4.838 -5.473 1.00 4.38 C ATOM 587 NZ LYS A 43 7.635 -4.182 -6.678 1.00 2.00 N ATOM 588 HA LYS A 43 4.902 -0.800 -3.292 1.00 0.00 H ATOM 589 HB2 LYS A 43 6.276 -2.269 -1.820 1.00 0.00 H ATOM 590 HB3 LYS A 43 5.240 -3.645 -2.267 1.00 0.00 H ATOM 591 HG2 LYS A 43 6.873 -2.137 -4.328 1.00 0.00 H ATOM 592 HG3 LYS A 43 7.549 -3.481 -3.377 1.00 0.00 H ATOM 593 HD2 LYS A 43 5.379 -4.723 -4.177 1.00 0.00 H ATOM 594 HD3 LYS A 43 5.410 -3.497 -5.466 1.00 0.00 H ATOM 595 HE2 LYS A 43 6.660 -5.793 -5.772 1.00 0.00 H ATOM 596 HE3 LYS A 43 7.916 -5.013 -4.781 1.00 0.00 H ATOM 597 HZ1 LYS A 43 6.866 -4.018 -7.358 1.00 0.00 H ATOM 598 HZ2 LYS A 43 8.065 -3.273 -6.412 1.00 0.00 H ATOM 599 HZ3 LYS A 43 8.356 -4.795 -7.110 1.00 0.00 H ATOM 600 H LYS A 43 4.208 -1.896 -0.775 1.00 0.00 H ATOM 601 N LYS A 44 2.855 -3.357 -3.669 1.00 5.53 N ATOM 602 CA LYS A 44 1.902 -3.870 -4.639 1.00 3.93 C ATOM 603 C LYS A 44 0.731 -2.872 -5.062 1.00 3.07 C ATOM 604 O LYS A 44 0.271 -2.844 -6.213 1.00 2.94 O ATOM 605 CB LYS A 44 1.355 -5.181 -4.064 1.00 5.00 C ATOM 606 CG LYS A 44 2.447 -6.160 -3.896 1.00 4.36 C ATOM 607 CD LYS A 44 1.912 -7.367 -3.206 1.00 6.28 C ATOM 608 CE LYS A 44 3.082 -8.254 -2.686 1.00 5.79 C ATOM 609 NZ LYS A 44 2.519 -9.658 -2.996 1.00 8.56 N ATOM 610 HA LYS A 44 2.429 -4.019 -5.581 1.00 0.00 H ATOM 611 HB2 LYS A 44 0.895 -4.985 -3.096 1.00 0.00 H ATOM 612 HB3 LYS A 44 0.607 -5.589 -4.744 1.00 0.00 H ATOM 613 HG2 LYS A 44 2.840 -6.441 -4.873 1.00 0.00 H ATOM 614 HG3 LYS A 44 3.245 -5.720 -3.298 1.00 0.00 H ATOM 615 HD2 LYS A 44 1.294 -7.056 -2.364 1.00 0.00 H ATOM 616 HD3 LYS A 44 1.307 -7.943 -3.906 1.00 0.00 H ATOM 617 HE2 LYS A 44 3.252 -8.113 -1.619 1.00 0.00 H ATOM 618 HE3 LYS A 44 4.007 -8.061 -3.229 1.00 0.00 H ATOM 619 HZ1 LYS A 44 1.626 -9.794 -2.481 1.00 0.00 H ATOM 620 HZ2 LYS A 44 2.347 -9.743 -4.018 1.00 0.00 H ATOM 621 HZ3 LYS A 44 3.206 -10.379 -2.697 1.00 0.00 H ATOM 622 H LYS A 44 2.981 -3.835 -2.754 1.00 0.00 H ATOM 623 N GLU A 45 0.233 -2.060 -4.162 1.00 2.01 N ATOM 624 CA GLU A 45 -0.781 -1.179 -4.636 1.00 2.92 C ATOM 625 C GLU A 45 -0.155 -0.235 -5.660 1.00 2.98 C ATOM 626 O GLU A 45 -0.783 0.042 -6.699 1.00 2.50 O ATOM 627 CB GLU A 45 -1.412 -0.379 -3.502 1.00 3.86 C ATOM 628 CG GLU A 45 -2.092 -1.253 -2.468 1.00 7.15 C ATOM 629 CD GLU A 45 -3.301 -2.088 -2.984 1.00 15.50 C ATOM 630 OE1 GLU A 45 -4.122 -1.610 -3.832 1.00 16.31 O ATOM 631 OE2 GLU A 45 -3.424 -3.249 -2.484 1.00 14.59 O ATOM 632 HA GLU A 45 -1.576 -1.768 -5.092 1.00 0.00 H ATOM 633 HB2 GLU A 45 -0.631 0.200 -3.009 1.00 0.00 H ATOM 634 HB3 GLU A 45 -2.153 0.299 -3.925 1.00 0.00 H ATOM 635 HG2 GLU A 45 -1.349 -1.946 -2.073 1.00 0.00 H ATOM 636 HG3 GLU A 45 -2.448 -0.608 -1.665 1.00 0.00 H ATOM 637 H GLU A 45 0.555 -2.059 -3.173 1.00 0.00 H ATOM 638 N PHE A 46 1.088 0.211 -5.417 1.00 3.01 N ATOM 639 CA PHE A 46 1.699 1.237 -6.278 1.00 2.35 C ATOM 640 C PHE A 46 2.110 0.704 -7.632 1.00 2.40 C ATOM 641 O PHE A 46 1.870 1.424 -8.592 1.00 2.00 O ATOM 642 CB PHE A 46 2.899 1.861 -5.530 1.00 3.78 C ATOM 643 CG PHE A 46 2.490 3.128 -4.778 1.00 3.86 C ATOM 644 CD1 PHE A 46 1.482 3.070 -3.824 1.00 2.00 C ATOM 645 CD2 PHE A 46 3.041 4.375 -5.106 1.00 5.70 C ATOM 646 CE1 PHE A 46 1.052 4.228 -3.189 1.00 2.32 C ATOM 647 CE2 PHE A 46 2.621 5.567 -4.468 1.00 2.21 C ATOM 648 CZ PHE A 46 1.630 5.508 -3.544 1.00 2.33 C ATOM 649 HA PHE A 46 0.949 2.001 -6.483 1.00 0.00 H ATOM 650 HB2 PHE A 46 3.289 1.135 -4.817 1.00 0.00 H ATOM 651 HB3 PHE A 46 3.676 2.112 -6.252 1.00 0.00 H ATOM 652 HD2 PHE A 46 3.814 4.428 -5.873 1.00 0.00 H ATOM 653 HE2 PHE A 46 3.088 6.520 -4.716 1.00 0.00 H ATOM 654 HZ PHE A 46 1.270 6.421 -3.070 1.00 0.00 H ATOM 655 HE1 PHE A 46 0.279 4.174 -2.423 1.00 0.00 H ATOM 656 HD1 PHE A 46 1.027 2.112 -3.573 1.00 0.00 H ATOM 657 H PHE A 46 1.624 -0.172 -4.613 1.00 0.00 H ATOM 658 N ASP A 47 2.672 -0.496 -7.727 1.00 2.59 N ATOM 659 CA ASP A 47 2.868 -1.139 -9.026 1.00 2.50 C ATOM 660 C ASP A 47 1.552 -1.259 -9.796 1.00 3.06 C ATOM 661 O ASP A 47 1.520 -1.160 -11.022 1.00 2.58 O ATOM 662 CB ASP A 47 3.502 -2.520 -8.851 1.00 2.03 C ATOM 663 CG ASP A 47 4.931 -2.446 -8.350 1.00 4.39 C ATOM 664 OD1 ASP A 47 5.501 -1.334 -8.337 1.00 2.71 O ATOM 665 OD2 ASP A 47 5.485 -3.499 -7.970 1.00 7.81 O ATOM 666 HA ASP A 47 3.542 -0.509 -9.606 1.00 0.00 H ATOM 667 HB2 ASP A 47 2.909 -3.088 -8.134 1.00 0.00 H ATOM 668 HB3 ASP A 47 3.495 -3.032 -9.813 1.00 0.00 H ATOM 669 H ASP A 47 2.978 -0.987 -6.863 1.00 0.00 H ATOM 670 N LYS A 48 0.472 -1.473 -9.053 1.00 3.54 N ATOM 671 CA LYS A 48 -0.853 -1.660 -9.599 1.00 4.64 C ATOM 672 C LYS A 48 -1.476 -0.291 -10.066 1.00 4.84 C ATOM 673 O LYS A 48 -1.869 -0.093 -11.235 1.00 4.17 O ATOM 674 CB LYS A 48 -1.716 -2.451 -8.560 1.00 5.08 C ATOM 675 CG LYS A 48 -3.168 -2.826 -8.969 1.00 5.56 C ATOM 676 CD LYS A 48 -3.794 -3.713 -7.875 1.00 9.36 C ATOM 677 CE LYS A 48 -5.336 -3.660 -7.791 1.00 11.48 C ATOM 678 NZ LYS A 48 -6.123 -4.109 -9.011 1.00 13.04 N ATOM 679 HA LYS A 48 -0.816 -2.261 -10.507 1.00 0.00 H ATOM 680 HB2 LYS A 48 -1.189 -3.379 -8.337 1.00 0.00 H ATOM 681 HB3 LYS A 48 -1.778 -1.844 -7.657 1.00 0.00 H ATOM 682 HG2 LYS A 48 -3.760 -1.918 -9.084 1.00 0.00 H ATOM 683 HG3 LYS A 48 -3.151 -3.370 -9.913 1.00 0.00 H ATOM 684 HD2 LYS A 48 -3.501 -4.745 -8.068 1.00 0.00 H ATOM 685 HD3 LYS A 48 -3.392 -3.397 -6.912 1.00 0.00 H ATOM 686 HE2 LYS A 48 -5.616 -2.627 -7.584 1.00 0.00 H ATOM 687 HE3 LYS A 48 -5.639 -4.292 -6.956 1.00 0.00 H ATOM 688 HZ1 LYS A 48 -5.871 -3.511 -9.824 1.00 0.00 H ATOM 689 HZ2 LYS A 48 -5.893 -5.101 -9.224 1.00 0.00 H ATOM 690 HZ3 LYS A 48 -7.141 -4.022 -8.817 1.00 0.00 H ATOM 691 H LYS A 48 0.586 -1.508 -8.020 1.00 0.00 H ATOM 692 N LYS A 49 -1.488 0.666 -9.145 1.00 4.71 N ATOM 693 CA LYS A 49 -2.015 1.987 -9.391 1.00 4.86 C ATOM 694 C LYS A 49 -1.079 2.864 -10.236 1.00 5.07 C ATOM 695 O LYS A 49 -1.519 3.588 -11.128 1.00 5.61 O ATOM 696 CB LYS A 49 -2.294 2.679 -8.046 1.00 4.70 C ATOM 697 CG LYS A 49 -3.367 3.716 -8.154 1.00 8.05 C ATOM 698 CD LYS A 49 -4.117 3.900 -6.846 1.00 14.81 C ATOM 699 CE LYS A 49 -5.191 5.023 -6.986 1.00 18.72 C ATOM 700 NZ LYS A 49 -4.666 6.342 -7.524 1.00 16.83 N ATOM 701 HA LYS A 49 -2.934 1.865 -9.964 1.00 0.00 H ATOM 702 HB2 LYS A 49 -2.605 1.926 -7.322 1.00 0.00 H ATOM 703 HB3 LYS A 49 -1.377 3.157 -7.700 1.00 0.00 H ATOM 704 HG2 LYS A 49 -2.912 4.666 -8.435 1.00 0.00 H ATOM 705 HG3 LYS A 49 -4.074 3.411 -8.925 1.00 0.00 H ATOM 706 HD2 LYS A 49 -4.608 2.964 -6.579 1.00 0.00 H ATOM 707 HD3 LYS A 49 -3.411 4.174 -6.062 1.00 0.00 H ATOM 708 HE2 LYS A 49 -5.622 5.205 -6.001 1.00 0.00 H ATOM 709 HE3 LYS A 49 -5.969 4.666 -7.661 1.00 0.00 H ATOM 710 HZ1 LYS A 49 -3.931 6.707 -6.886 1.00 0.00 H ATOM 711 HZ2 LYS A 49 -4.262 6.193 -8.471 1.00 0.00 H ATOM 712 HZ3 LYS A 49 -5.447 7.026 -7.583 1.00 0.00 H ATOM 713 H LYS A 49 -1.100 0.454 -8.204 1.00 0.00 H ATOM 714 N TYR A 50 0.192 2.869 -9.927 1.00 5.79 N ATOM 715 CA TYR A 50 1.117 3.725 -10.690 1.00 7.97 C ATOM 716 C TYR A 50 2.197 3.017 -11.506 1.00 7.04 C ATOM 717 O TYR A 50 3.165 3.666 -11.821 1.00 7.06 O ATOM 718 CB TYR A 50 1.844 4.716 -9.720 1.00 8.34 C ATOM 719 CG TYR A 50 0.847 5.647 -8.972 1.00 12.44 C ATOM 720 CD1 TYR A 50 0.485 5.390 -7.629 1.00 12.87 C ATOM 721 CD2 TYR A 50 0.231 6.755 -9.635 1.00 14.33 C ATOM 722 CE1 TYR A 50 -0.427 6.199 -6.925 1.00 12.36 C ATOM 723 CE2 TYR A 50 -0.718 7.601 -8.953 1.00 14.73 C ATOM 724 CZ TYR A 50 -1.033 7.318 -7.584 1.00 19.62 C ATOM 725 OH TYR A 50 -1.999 8.106 -6.899 1.00 17.88 O ATOM 726 HA TYR A 50 0.466 4.218 -11.412 1.00 0.00 H ATOM 727 HB3 TYR A 50 2.533 5.332 -10.299 1.00 0.00 H ATOM 728 HB2 TYR A 50 2.405 4.139 -8.985 1.00 0.00 H ATOM 729 HD2 TYR A 50 0.483 6.964 -10.675 1.00 0.00 H ATOM 730 HE2 TYR A 50 -1.186 8.439 -9.469 1.00 0.00 H ATOM 731 HE1 TYR A 50 -0.670 5.976 -5.886 1.00 0.00 H ATOM 732 HD1 TYR A 50 0.929 4.534 -7.120 1.00 0.00 H ATOM 733 HH TYR A 50 -2.093 7.777 -5.970 1.00 0.00 H ATOM 734 H TYR A 50 0.546 2.275 -9.150 1.00 0.00 H ATOM 735 N ASN A 51 2.047 1.717 -11.802 1.00 5.90 N ATOM 736 CA ASN A 51 3.052 0.917 -12.582 1.00 4.21 C ATOM 737 C ASN A 51 4.256 0.536 -11.771 1.00 3.58 C ATOM 738 O ASN A 51 4.625 1.271 -10.799 1.00 4.45 O ATOM 739 CB ASN A 51 3.541 1.645 -13.828 1.00 2.54 C ATOM 740 CG ASN A 51 2.392 2.029 -14.764 1.00 2.09 C ATOM 741 OD1 ASN A 51 1.352 1.334 -14.827 1.00 2.00 O ATOM 742 ND2 ASN A 51 2.590 3.107 -15.519 1.00 2.00 N ATOM 743 HA ASN A 51 2.511 0.016 -12.870 1.00 0.00 H ATOM 744 HB2 ASN A 51 4.063 2.552 -13.523 1.00 0.00 H ATOM 745 HB3 ASN A 51 4.230 0.995 -14.367 1.00 0.00 H ATOM 746 HD22 ASN A 51 3.472 3.651 -15.428 1.00 0.00 H ATOM 747 HD21 ASN A 51 1.863 3.406 -16.200 1.00 0.00 H ATOM 748 H ASN A 51 1.186 1.235 -11.473 1.00 0.00 H ATOM 749 N PRO A 52 4.858 -0.637 -12.130 1.00 3.32 N ATOM 750 CA PRO A 52 6.140 -1.027 -11.524 1.00 2.26 C ATOM 751 C PRO A 52 7.240 -0.090 -11.951 1.00 2.00 C ATOM 752 O PRO A 52 7.067 0.649 -12.855 1.00 2.00 O ATOM 753 CB PRO A 52 6.376 -2.470 -12.060 1.00 2.63 C ATOM 754 CG PRO A 52 5.117 -2.887 -12.782 1.00 2.00 C ATOM 755 CD PRO A 52 4.352 -1.656 -13.103 1.00 2.03 C ATOM 756 HA PRO A 52 6.130 -0.986 -10.435 1.00 0.00 H ATOM 757 HD3 PRO A 52 4.544 -1.339 -14.128 1.00 0.00 H ATOM 758 HD2 PRO A 52 3.283 -1.820 -12.969 1.00 0.00 H ATOM 759 HG3 PRO A 52 4.521 -3.539 -12.143 1.00 0.00 H ATOM 760 HG2 PRO A 52 5.373 -3.415 -13.700 1.00 0.00 H ATOM 761 HB2 PRO A 52 7.222 -2.480 -12.747 1.00 0.00 H ATOM 762 HB3 PRO A 52 6.574 -3.149 -11.231 1.00 0.00 H ATOM 763 N THR A 53 8.391 -0.108 -11.283 1.00 2.81 N ATOM 764 CA THR A 53 8.666 -0.963 -10.170 1.00 2.19 C ATOM 765 C THR A 53 8.896 -0.064 -8.970 1.00 3.12 C ATOM 766 O THR A 53 9.699 0.876 -8.995 1.00 3.52 O ATOM 767 CB THR A 53 9.891 -1.899 -10.433 1.00 3.09 C ATOM 768 OG1 THR A 53 9.883 -2.441 -11.787 1.00 2.00 O ATOM 769 CG2 THR A 53 9.925 -3.035 -9.383 1.00 2.00 C ATOM 770 HA THR A 53 7.825 -1.634 -9.994 1.00 0.00 H ATOM 771 HB THR A 53 10.796 -1.300 -10.337 1.00 0.00 H ATOM 772 HG1 THR A 53 9.916 -1.697 -12.439 1.00 0.00 H ATOM 773 HG23 THR A 53 9.930 -2.603 -8.382 1.00 0.00 H ATOM 774 HG21 THR A 53 9.044 -3.666 -9.503 1.00 0.00 H ATOM 775 HG22 THR A 53 10.824 -3.634 -9.526 1.00 0.00 H ATOM 776 H THR A 53 9.141 0.543 -11.591 1.00 0.00 H ATOM 777 N TRP A 54 8.192 -0.369 -7.908 1.00 2.49 N ATOM 778 CA TRP A 54 8.323 0.320 -6.670 1.00 2.02 C ATOM 779 C TRP A 54 8.948 -0.546 -5.576 1.00 2.46 C ATOM 780 O TRP A 54 9.056 -1.784 -5.672 1.00 2.58 O ATOM 781 CB TRP A 54 6.933 0.771 -6.192 1.00 3.27 C ATOM 782 CG TRP A 54 6.217 1.808 -6.979 1.00 2.00 C ATOM 783 CD1 TRP A 54 5.486 1.626 -8.163 1.00 2.00 C ATOM 784 CD2 TRP A 54 6.169 3.234 -6.675 1.00 2.59 C ATOM 785 NE1 TRP A 54 5.018 2.869 -8.599 1.00 2.46 N ATOM 786 CE2 TRP A 54 5.371 3.853 -7.690 1.00 2.00 C ATOM 787 CE3 TRP A 54 6.697 4.030 -5.639 1.00 2.00 C ATOM 788 CZ2 TRP A 54 5.078 5.221 -7.685 1.00 2.00 C ATOM 789 CZ3 TRP A 54 6.361 5.396 -5.614 1.00 2.83 C ATOM 790 CH2 TRP A 54 5.579 5.978 -6.656 1.00 2.85 C ATOM 791 HA TRP A 54 8.982 1.170 -6.846 1.00 0.00 H ATOM 792 HB2 TRP A 54 6.297 -0.114 -6.170 1.00 0.00 H ATOM 793 HB3 TRP A 54 7.050 1.158 -5.180 1.00 0.00 H ATOM 794 HE1 TRP A 54 4.484 3.031 -9.476 1.00 0.00 H ATOM 795 HD1 TRP A 54 5.312 0.672 -8.661 1.00 0.00 H ATOM 796 HZ2 TRP A 54 4.472 5.670 -8.472 1.00 0.00 H ATOM 797 HH2 TRP A 54 5.375 7.048 -6.634 1.00 0.00 H ATOM 798 HZ3 TRP A 54 6.703 6.018 -4.787 1.00 0.00 H ATOM 799 HE3 TRP A 54 7.348 3.599 -4.878 1.00 0.00 H ATOM 800 H TRP A 54 7.507 -1.149 -7.973 1.00 0.00 H ATOM 801 N HIS A 55 9.337 0.125 -4.497 1.00 2.85 N ATOM 802 CA HIS A 55 10.103 -0.506 -3.385 1.00 2.28 C ATOM 803 C HIS A 55 9.702 0.175 -2.094 1.00 2.84 C ATOM 804 O HIS A 55 9.572 1.409 -2.056 1.00 3.28 O ATOM 805 CB HIS A 55 11.640 -0.486 -3.586 1.00 2.00 C ATOM 806 CG HIS A 55 12.067 -0.762 -5.012 1.00 2.42 C ATOM 807 ND1 HIS A 55 12.423 -1.996 -5.533 1.00 2.00 N ATOM 808 CD2 HIS A 55 12.193 0.115 -6.031 1.00 2.00 C ATOM 809 CE1 HIS A 55 12.731 -1.848 -6.812 1.00 2.00 C ATOM 810 NE2 HIS A 55 12.623 -0.571 -7.131 1.00 2.00 N ATOM 811 HA HIS A 55 9.849 -1.566 -3.358 1.00 0.00 H ATOM 812 HB2 HIS A 55 12.013 0.497 -3.298 1.00 0.00 H ATOM 813 HB3 HIS A 55 12.082 -1.245 -2.940 1.00 0.00 H ATOM 814 HD2 HIS A 55 11.987 1.184 -5.984 1.00 0.00 H ATOM 815 HE1 HIS A 55 13.025 -2.649 -7.490 1.00 0.00 H ATOM 816 H HIS A 55 9.097 1.134 -4.425 1.00 0.00 H ATOM 817 N CYS A 56 9.430 -0.626 -1.064 1.00 2.00 N ATOM 818 CA CYS A 56 9.049 -0.021 0.175 1.00 2.06 C ATOM 819 C CYS A 56 9.768 -0.645 1.367 1.00 2.55 C ATOM 820 O CYS A 56 9.900 -1.897 1.571 1.00 3.80 O ATOM 821 CB CYS A 56 7.551 -0.180 0.362 1.00 3.55 C ATOM 822 SG CYS A 56 6.723 0.569 1.807 1.00 2.07 S ATOM 823 HA CYS A 56 9.329 1.032 0.132 1.00 0.00 H ATOM 824 HB2 CYS A 56 7.352 -1.251 0.406 1.00 0.00 H ATOM 825 HB3 CYS A 56 7.077 0.241 -0.525 1.00 0.00 H ATOM 826 HG CYS A 56 5.373 0.290 1.757 1.00 0.00 H ATOM 827 H CYS A 56 9.493 -1.660 -1.158 1.00 0.00 H ATOM 828 N ILE A 57 10.237 0.268 2.181 1.00 2.51 N ATOM 829 CA ILE A 57 10.951 -0.060 3.375 1.00 2.42 C ATOM 830 C ILE A 57 10.098 0.434 4.540 1.00 2.05 C ATOM 831 O ILE A 57 9.793 1.613 4.635 1.00 2.00 O ATOM 832 CB ILE A 57 12.381 0.550 3.409 1.00 2.00 C ATOM 833 CG1 ILE A 57 13.281 -0.102 2.381 1.00 3.62 C ATOM 834 CG2 ILE A 57 12.970 0.295 4.703 1.00 2.00 C ATOM 835 CD1 ILE A 57 12.630 -0.488 1.100 1.00 2.04 C ATOM 836 HA ILE A 57 11.109 -1.137 3.432 1.00 0.00 H ATOM 837 HB ILE A 57 12.293 1.616 3.201 1.00 0.00 H ATOM 838 HG12 ILE A 57 14.086 0.596 2.150 1.00 0.00 H ATOM 839 HG13 ILE A 57 13.701 -1.003 2.828 1.00 0.00 H ATOM 840 HD11 ILE A 57 11.830 -1.201 1.301 1.00 0.00 H ATOM 841 HD12 ILE A 57 12.215 0.400 0.623 1.00 0.00 H ATOM 842 HD13 ILE A 57 13.369 -0.945 0.442 1.00 0.00 H ATOM 843 HG21 ILE A 57 12.355 0.754 5.477 1.00 0.00 H ATOM 844 HG22 ILE A 57 13.024 -0.781 4.870 1.00 0.00 H ATOM 845 HG23 ILE A 57 13.973 0.720 4.734 1.00 0.00 H ATOM 846 H ILE A 57 10.084 1.270 1.949 1.00 0.00 H ATOM 847 N VAL A 58 9.775 -0.488 5.436 1.00 2.00 N ATOM 848 CA VAL A 58 9.021 -0.122 6.621 1.00 2.00 C ATOM 849 C VAL A 58 9.771 -0.472 7.880 1.00 2.00 C ATOM 850 O VAL A 58 10.054 -1.613 8.183 1.00 2.40 O ATOM 851 CB VAL A 58 7.636 -0.828 6.644 1.00 2.00 C ATOM 852 CG1 VAL A 58 6.954 -0.478 7.908 1.00 2.00 C ATOM 853 CG2 VAL A 58 6.858 -0.398 5.418 1.00 2.00 C ATOM 854 HA VAL A 58 8.876 0.958 6.582 1.00 0.00 H ATOM 855 HB VAL A 58 7.730 -1.913 6.610 1.00 0.00 H ATOM 856 HG11 VAL A 58 7.558 -0.814 8.751 1.00 0.00 H ATOM 857 HG12 VAL A 58 6.823 0.603 7.961 1.00 0.00 H ATOM 858 HG13 VAL A 58 5.980 -0.965 7.941 1.00 0.00 H ATOM 859 HG21 VAL A 58 6.725 0.684 5.434 1.00 0.00 H ATOM 860 HG22 VAL A 58 7.408 -0.684 4.521 1.00 0.00 H ATOM 861 HG23 VAL A 58 5.883 -0.885 5.419 1.00 0.00 H ATOM 862 H VAL A 58 10.063 -1.477 5.289 1.00 0.00 H ATOM 863 N GLY A 59 10.082 0.515 8.670 1.00 2.54 N ATOM 864 CA GLY A 59 10.593 0.168 9.982 1.00 3.19 C ATOM 865 C GLY A 59 10.728 1.309 10.953 1.00 3.38 C ATOM 866 O GLY A 59 10.477 2.449 10.616 1.00 3.34 O ATOM 867 HA3 GLY A 59 11.579 -0.278 9.850 1.00 0.00 H ATOM 868 HA2 GLY A 59 9.918 -0.567 10.421 1.00 0.00 H ATOM 869 H GLY A 59 9.969 1.506 8.374 1.00 0.00 H ATOM 870 N ARG A 60 11.153 0.974 12.162 1.00 3.50 N ATOM 871 CA ARG A 60 11.329 1.941 13.234 1.00 4.78 C ATOM 872 C ARG A 60 12.747 2.504 13.330 1.00 3.98 C ATOM 873 O ARG A 60 12.999 3.403 14.119 1.00 4.41 O ATOM 874 CB ARG A 60 10.966 1.319 14.612 1.00 4.32 C ATOM 875 CG ARG A 60 9.498 0.854 14.681 1.00 5.45 C ATOM 876 CD ARG A 60 9.125 0.060 16.006 1.00 9.47 C ATOM 877 NE ARG A 60 7.669 0.016 16.068 1.00 12.25 N ATOM 878 CZ ARG A 60 6.915 -0.665 15.194 1.00 11.71 C ATOM 879 NH1 ARG A 60 7.489 -1.444 14.265 1.00 11.18 N ATOM 880 NH2 ARG A 60 5.591 -0.597 15.255 1.00 6.91 N ATOM 881 HA ARG A 60 10.655 2.760 12.985 1.00 0.00 H ATOM 882 HB2 ARG A 60 11.614 0.461 14.790 1.00 0.00 H ATOM 883 HB3 ARG A 60 11.133 2.066 15.388 1.00 0.00 H ATOM 884 HG2 ARG A 60 8.858 1.734 14.618 1.00 0.00 H ATOM 885 HG3 ARG A 60 9.305 0.204 13.827 1.00 0.00 H ATOM 886 HD2 ARG A 60 9.524 0.576 16.879 1.00 0.00 H ATOM 887 HD3 ARG A 60 9.531 -0.951 15.966 1.00 0.00 H ATOM 888 HE ARG A 60 7.191 0.540 16.829 1.00 0.00 H ATOM 889 HH12 ARG A 60 6.898 -1.970 13.590 1.00 0.00 H ATOM 890 HH11 ARG A 60 8.525 -1.522 14.220 1.00 0.00 H ATOM 891 HH22 ARG A 60 5.011 -1.128 14.574 1.00 0.00 H ATOM 892 HH21 ARG A 60 5.133 -0.013 15.984 1.00 0.00 H ATOM 893 H ARG A 60 11.370 -0.025 12.353 1.00 0.00 H ATOM 894 N ASN A 61 13.671 1.916 12.606 1.00 2.74 N ATOM 895 CA ASN A 61 15.024 2.454 12.577 1.00 2.66 C ATOM 896 C ASN A 61 15.863 1.932 11.392 1.00 2.70 C ATOM 897 O ASN A 61 16.437 0.827 11.455 1.00 3.40 O ATOM 898 CB ASN A 61 15.813 2.141 13.825 1.00 2.00 C ATOM 899 CG ASN A 61 17.225 2.674 13.699 1.00 2.00 C ATOM 900 OD1 ASN A 61 18.100 1.996 13.201 1.00 6.68 O ATOM 901 ND2 ASN A 61 17.421 3.907 14.034 1.00 2.00 N ATOM 902 HA ASN A 61 14.863 3.528 12.485 1.00 0.00 H ATOM 903 HB2 ASN A 61 15.328 2.605 14.684 1.00 0.00 H ATOM 904 HB3 ASN A 61 15.847 1.061 13.968 1.00 0.00 H ATOM 905 HD22 ASN A 61 16.649 4.460 14.459 1.00 0.00 H ATOM 906 HD21 ASN A 61 18.351 4.347 13.879 1.00 0.00 H ATOM 907 H ASN A 61 13.437 1.067 12.054 1.00 0.00 H ATOM 908 N PHE A 62 15.969 2.757 10.345 1.00 2.00 N ATOM 909 CA PHE A 62 16.851 2.428 9.250 1.00 2.00 C ATOM 910 C PHE A 62 17.293 3.702 8.585 1.00 2.10 C ATOM 911 O PHE A 62 16.622 4.775 8.724 1.00 2.44 O ATOM 912 CB PHE A 62 16.143 1.469 8.258 1.00 2.00 C ATOM 913 CG PHE A 62 14.940 2.087 7.555 1.00 2.00 C ATOM 914 CD1 PHE A 62 15.111 2.787 6.398 1.00 2.00 C ATOM 915 CD2 PHE A 62 13.627 1.978 8.100 1.00 2.00 C ATOM 916 CE1 PHE A 62 14.030 3.394 5.752 1.00 2.00 C ATOM 917 CE2 PHE A 62 12.530 2.522 7.456 1.00 4.13 C ATOM 918 CZ PHE A 62 12.716 3.258 6.253 1.00 2.25 C ATOM 919 HA PHE A 62 17.734 1.906 9.620 1.00 0.00 H ATOM 920 HB2 PHE A 62 16.865 1.164 7.500 1.00 0.00 H ATOM 921 HB3 PHE A 62 15.805 0.592 8.810 1.00 0.00 H ATOM 922 HD2 PHE A 62 13.484 1.454 9.045 1.00 0.00 H ATOM 923 HE2 PHE A 62 11.530 2.388 7.868 1.00 0.00 H ATOM 924 HZ PHE A 62 11.869 3.704 5.732 1.00 0.00 H ATOM 925 HE1 PHE A 62 14.203 3.980 4.850 1.00 0.00 H ATOM 926 HD1 PHE A 62 16.109 2.875 5.969 1.00 0.00 H ATOM 927 H PHE A 62 15.415 3.637 10.319 1.00 0.00 H ATOM 928 N GLY A 63 18.429 3.604 7.882 1.00 2.00 N ATOM 929 CA GLY A 63 18.808 4.683 6.994 1.00 2.00 C ATOM 930 C GLY A 63 18.848 4.116 5.601 1.00 2.00 C ATOM 931 O GLY A 63 18.785 2.886 5.431 1.00 2.00 O ATOM 932 HA3 GLY A 63 19.790 5.067 7.270 1.00 0.00 H ATOM 933 HA2 GLY A 63 18.075 5.488 7.049 1.00 0.00 H ATOM 934 H GLY A 63 19.032 2.762 7.973 1.00 0.00 H ATOM 935 N SER A 64 18.942 4.979 4.592 1.00 2.00 N ATOM 936 CA SER A 64 19.086 4.447 3.198 1.00 2.00 C ATOM 937 C SER A 64 19.771 5.434 2.239 1.00 2.00 C ATOM 938 O SER A 64 19.912 6.655 2.456 1.00 2.03 O ATOM 939 CB SER A 64 17.720 3.988 2.623 1.00 2.00 C ATOM 940 OG SER A 64 17.087 5.069 2.048 1.00 2.00 O ATOM 941 HA SER A 64 19.742 3.580 3.278 1.00 0.00 H ATOM 942 HB2 SER A 64 17.102 3.587 3.426 1.00 0.00 H ATOM 943 HB3 SER A 64 17.881 3.216 1.870 1.00 0.00 H ATOM 944 HG SER A 64 16.942 5.768 2.734 1.00 0.00 H ATOM 945 H SER A 64 18.916 6.004 4.768 1.00 0.00 H ATOM 946 N TYR A 65 20.285 4.858 1.197 1.00 2.52 N ATOM 947 CA TYR A 65 20.708 5.626 0.026 1.00 3.35 C ATOM 948 C TYR A 65 20.222 4.966 -1.220 1.00 3.68 C ATOM 949 O TYR A 65 20.734 3.842 -1.544 1.00 3.39 O ATOM 950 CB TYR A 65 22.190 5.687 -0.054 1.00 2.07 C ATOM 951 CG TYR A 65 22.582 6.814 -0.979 1.00 2.02 C ATOM 952 CD1 TYR A 65 22.458 8.160 -0.582 1.00 2.00 C ATOM 953 CD2 TYR A 65 23.050 6.520 -2.280 1.00 2.51 C ATOM 954 CE1 TYR A 65 22.809 9.188 -1.423 1.00 2.00 C ATOM 955 CE2 TYR A 65 23.404 7.522 -3.128 1.00 2.18 C ATOM 956 CZ TYR A 65 23.268 8.870 -2.702 1.00 2.15 C ATOM 957 OH TYR A 65 23.672 9.896 -3.532 1.00 3.91 O ATOM 958 HA TYR A 65 20.293 6.630 0.122 1.00 0.00 H ATOM 959 HB3 TYR A 65 22.575 4.744 -0.442 1.00 0.00 H ATOM 960 HB2 TYR A 65 22.604 5.867 0.938 1.00 0.00 H ATOM 961 HD2 TYR A 65 23.128 5.483 -2.606 1.00 0.00 H ATOM 962 HE2 TYR A 65 23.787 7.294 -4.122 1.00 0.00 H ATOM 963 HE1 TYR A 65 22.731 10.226 -1.099 1.00 0.00 H ATOM 964 HD1 TYR A 65 22.076 8.390 0.412 1.00 0.00 H ATOM 965 HH TYR A 65 23.509 10.764 -3.085 1.00 0.00 H ATOM 966 H TYR A 65 20.399 3.824 1.194 1.00 0.00 H ATOM 967 N VAL A 66 19.215 5.591 -1.863 1.00 3.05 N ATOM 968 CA VAL A 66 18.623 4.975 -3.052 1.00 3.65 C ATOM 969 C VAL A 66 18.588 5.945 -4.235 1.00 4.25 C ATOM 970 O VAL A 66 18.739 7.166 -4.061 1.00 5.41 O ATOM 971 CB VAL A 66 17.190 4.444 -2.775 1.00 3.91 C ATOM 972 CG1 VAL A 66 17.167 3.584 -1.497 1.00 3.85 C ATOM 973 CG2 VAL A 66 16.265 5.599 -2.680 1.00 3.22 C ATOM 974 HA VAL A 66 19.264 4.131 -3.309 1.00 0.00 H ATOM 975 HB VAL A 66 16.865 3.801 -3.593 1.00 0.00 H ATOM 976 HG11 VAL A 66 17.841 2.736 -1.619 1.00 0.00 H ATOM 977 HG12 VAL A 66 17.490 4.187 -0.649 1.00 0.00 H ATOM 978 HG13 VAL A 66 16.154 3.223 -1.322 1.00 0.00 H ATOM 979 HG21 VAL A 66 16.582 6.251 -1.866 1.00 0.00 H ATOM 980 HG22 VAL A 66 16.280 6.153 -3.619 1.00 0.00 H ATOM 981 HG23 VAL A 66 15.255 5.239 -2.486 1.00 0.00 H ATOM 982 H VAL A 66 18.861 6.505 -1.516 1.00 0.00 H ATOM 983 N THR A 67 18.325 5.380 -5.408 1.00 4.20 N ATOM 984 CA THR A 67 18.090 6.061 -6.627 1.00 4.64 C ATOM 985 C THR A 67 16.611 5.838 -7.100 1.00 6.63 C ATOM 986 O THR A 67 16.111 4.689 -7.178 1.00 7.27 O ATOM 987 CB THR A 67 19.075 5.580 -7.692 1.00 5.17 C ATOM 988 OG1 THR A 67 20.459 5.879 -7.299 1.00 6.75 O ATOM 989 CG2 THR A 67 18.735 6.216 -9.074 1.00 2.00 C ATOM 990 HA THR A 67 18.241 7.129 -6.470 1.00 0.00 H ATOM 991 HB THR A 67 18.982 4.498 -7.783 1.00 0.00 H ATOM 992 HG1 THR A 67 20.565 6.857 -7.185 1.00 0.00 H ATOM 993 HG23 THR A 67 17.705 5.978 -9.338 1.00 0.00 H ATOM 994 HG21 THR A 67 18.855 7.298 -9.014 1.00 0.00 H ATOM 995 HG22 THR A 67 19.408 5.816 -9.832 1.00 0.00 H ATOM 996 H THR A 67 18.288 4.341 -5.433 1.00 0.00 H ATOM 997 N HIS A 68 15.900 6.920 -7.410 1.00 5.39 N ATOM 998 CA HIS A 68 14.538 6.789 -7.784 1.00 5.39 C ATOM 999 C HIS A 68 14.246 7.616 -9.079 1.00 5.96 C ATOM 1000 O HIS A 68 14.909 8.625 -9.401 1.00 5.91 O ATOM 1001 CB HIS A 68 13.635 7.212 -6.603 1.00 5.60 C ATOM 1002 CG HIS A 68 13.708 8.687 -6.293 1.00 7.05 C ATOM 1003 ND1 HIS A 68 12.907 9.617 -6.927 1.00 6.56 N ATOM 1004 CD2 HIS A 68 14.576 9.410 -5.520 1.00 5.94 C ATOM 1005 CE1 HIS A 68 13.263 10.835 -6.548 1.00 2.00 C ATOM 1006 NE2 HIS A 68 14.247 10.731 -5.668 1.00 2.00 N ATOM 1007 HA HIS A 68 14.318 5.747 -8.017 1.00 0.00 H ATOM 1008 HB2 HIS A 68 12.603 6.961 -6.849 1.00 0.00 H ATOM 1009 HB3 HIS A 68 13.942 6.657 -5.717 1.00 0.00 H ATOM 1010 HD2 HIS A 68 15.379 9.009 -4.902 1.00 0.00 H ATOM 1011 HE1 HIS A 68 12.820 11.766 -6.901 1.00 0.00 H ATOM 1012 H HIS A 68 16.343 7.860 -7.378 1.00 0.00 H ATOM 1013 N GLU A 69 13.280 7.153 -9.846 1.00 5.80 N ATOM 1014 CA GLU A 69 12.739 7.903 -10.960 1.00 6.49 C ATOM 1015 C GLU A 69 12.368 9.267 -10.443 1.00 6.58 C ATOM 1016 O GLU A 69 11.822 9.380 -9.335 1.00 6.90 O ATOM 1017 CB GLU A 69 11.557 7.134 -11.570 1.00 6.77 C ATOM 1018 CG GLU A 69 10.714 7.827 -12.651 1.00 10.30 C ATOM 1019 CD GLU A 69 9.554 6.928 -13.092 1.00 13.98 C ATOM 1020 OE1 GLU A 69 9.775 5.675 -13.082 1.00 14.45 O ATOM 1021 OE2 GLU A 69 8.441 7.456 -13.402 1.00 16.23 O ATOM 1022 HA GLU A 69 13.462 8.029 -11.766 1.00 0.00 H ATOM 1023 HB2 GLU A 69 11.959 6.221 -12.010 1.00 0.00 H ATOM 1024 HB3 GLU A 69 10.884 6.876 -10.752 1.00 0.00 H ATOM 1025 HG2 GLU A 69 10.313 8.758 -12.250 1.00 0.00 H ATOM 1026 HG3 GLU A 69 11.345 8.045 -13.512 1.00 0.00 H ATOM 1027 H GLU A 69 12.890 6.210 -9.643 1.00 0.00 H ATOM 1028 N THR A 70 12.658 10.310 -11.218 1.00 6.59 N ATOM 1029 CA THR A 70 12.330 11.678 -10.838 1.00 7.14 C ATOM 1030 C THR A 70 10.837 11.776 -10.522 1.00 6.32 C ATOM 1031 O THR A 70 10.042 11.220 -11.263 1.00 6.85 O ATOM 1032 CB THR A 70 12.794 12.657 -11.960 1.00 7.83 C ATOM 1033 OG1 THR A 70 12.640 14.036 -11.569 1.00 11.51 O ATOM 1034 CG2 THR A 70 11.995 12.418 -13.248 1.00 9.67 C ATOM 1035 HA THR A 70 12.862 11.967 -9.932 1.00 0.00 H ATOM 1036 HB THR A 70 13.852 12.459 -12.133 1.00 0.00 H ATOM 1037 HG1 THR A 70 12.945 14.623 -12.306 1.00 0.00 H ATOM 1038 HG23 THR A 70 12.104 11.377 -13.554 1.00 0.00 H ATOM 1039 HG21 THR A 70 10.943 12.637 -13.067 1.00 0.00 H ATOM 1040 HG22 THR A 70 12.373 13.071 -14.035 1.00 0.00 H ATOM 1041 H THR A 70 13.135 10.142 -12.127 1.00 0.00 H ATOM 1042 N ARG A 71 10.457 12.431 -9.416 1.00 5.41 N ATOM 1043 CA ARG A 71 9.033 12.701 -9.044 1.00 4.83 C ATOM 1044 C ARG A 71 8.342 11.457 -8.384 1.00 5.75 C ATOM 1045 O ARG A 71 7.146 11.441 -8.073 1.00 5.31 O ATOM 1046 CB ARG A 71 8.204 13.258 -10.243 1.00 4.48 C ATOM 1047 CG ARG A 71 8.532 14.722 -10.665 1.00 3.99 C ATOM 1048 CD ARG A 71 8.005 15.750 -9.615 1.00 2.85 C ATOM 1049 NE ARG A 71 6.552 15.932 -9.687 1.00 2.00 N ATOM 1050 CZ ARG A 71 5.804 16.421 -8.706 1.00 3.98 C ATOM 1051 NH1 ARG A 71 6.370 16.760 -7.548 1.00 5.31 N ATOM 1052 NH2 ARG A 71 4.500 16.620 -8.885 1.00 4.90 N ATOM 1053 HA ARG A 71 9.059 13.484 -8.286 1.00 0.00 H ATOM 1054 HB2 ARG A 71 8.382 12.613 -11.103 1.00 0.00 H ATOM 1055 HB3 ARG A 71 7.149 13.215 -9.971 1.00 0.00 H ATOM 1056 HG2 ARG A 71 9.613 14.831 -10.757 1.00 0.00 H ATOM 1057 HG3 ARG A 71 8.064 14.927 -11.628 1.00 0.00 H ATOM 1058 HD2 ARG A 71 8.487 16.711 -9.794 1.00 0.00 H ATOM 1059 HD3 ARG A 71 8.264 15.395 -8.617 1.00 0.00 H ATOM 1060 HE ARG A 71 6.074 15.659 -10.569 1.00 0.00 H ATOM 1061 HH12 ARG A 71 5.787 17.144 -6.777 1.00 0.00 H ATOM 1062 HH11 ARG A 71 7.395 16.641 -7.415 1.00 0.00 H ATOM 1063 HH22 ARG A 71 3.921 17.004 -8.111 1.00 0.00 H ATOM 1064 HH21 ARG A 71 4.060 16.392 -9.799 1.00 0.00 H ATOM 1065 H ARG A 71 11.200 12.774 -8.775 1.00 0.00 H ATOM 1066 N HIS A 72 9.119 10.409 -8.102 1.00 7.40 N ATOM 1067 CA HIS A 72 8.532 9.208 -7.466 1.00 6.23 C ATOM 1068 C HIS A 72 9.279 8.719 -6.259 1.00 5.87 C ATOM 1069 O HIS A 72 9.868 7.629 -6.252 1.00 7.82 O ATOM 1070 CB HIS A 72 8.449 8.103 -8.548 1.00 5.49 C ATOM 1071 CG HIS A 72 7.572 8.506 -9.696 1.00 3.98 C ATOM 1072 ND1 HIS A 72 7.957 9.447 -10.625 1.00 8.16 N ATOM 1073 CD2 HIS A 72 6.295 8.162 -10.010 1.00 2.00 C ATOM 1074 CE1 HIS A 72 6.975 9.613 -11.508 1.00 7.78 C ATOM 1075 NE2 HIS A 72 5.949 8.865 -11.137 1.00 2.00 N ATOM 1076 HA HIS A 72 7.546 9.475 -7.086 1.00 0.00 H ATOM 1077 HB2 HIS A 72 9.452 7.903 -8.924 1.00 0.00 H ATOM 1078 HB3 HIS A 72 8.044 7.197 -8.096 1.00 0.00 H ATOM 1079 HD2 HIS A 72 5.663 7.459 -9.468 1.00 0.00 H ATOM 1080 HE1 HIS A 72 7.010 10.256 -12.387 1.00 0.00 H ATOM 1081 H HIS A 72 10.134 10.436 -8.328 1.00 0.00 H ATOM 1082 N PHE A 73 9.208 9.510 -5.197 1.00 5.08 N ATOM 1083 CA PHE A 73 9.862 9.130 -3.911 1.00 2.57 C ATOM 1084 C PHE A 73 9.134 9.821 -2.833 1.00 3.05 C ATOM 1085 O PHE A 73 8.652 10.962 -3.003 1.00 3.14 O ATOM 1086 CB PHE A 73 11.323 9.493 -3.974 1.00 2.46 C ATOM 1087 CG PHE A 73 11.945 9.946 -2.717 1.00 2.15 C ATOM 1088 CD1 PHE A 73 12.117 11.324 -2.454 1.00 2.17 C ATOM 1089 CD2 PHE A 73 12.526 9.052 -1.859 1.00 2.00 C ATOM 1090 CE1 PHE A 73 12.822 11.743 -1.310 1.00 2.00 C ATOM 1091 CE2 PHE A 73 13.157 9.520 -0.661 1.00 3.59 C ATOM 1092 CZ PHE A 73 13.317 10.849 -0.413 1.00 2.00 C ATOM 1093 HA PHE A 73 9.821 8.058 -3.720 1.00 0.00 H ATOM 1094 HB2 PHE A 73 11.868 8.613 -4.315 1.00 0.00 H ATOM 1095 HB3 PHE A 73 11.434 10.293 -4.705 1.00 0.00 H ATOM 1096 HD2 PHE A 73 12.509 7.986 -2.087 1.00 0.00 H ATOM 1097 HE2 PHE A 73 13.517 8.795 0.069 1.00 0.00 H ATOM 1098 HZ PHE A 73 13.831 11.189 0.486 1.00 0.00 H ATOM 1099 HE1 PHE A 73 12.975 12.809 -1.139 1.00 0.00 H ATOM 1100 HD1 PHE A 73 11.703 12.064 -3.139 1.00 0.00 H ATOM 1101 H PHE A 73 8.689 10.409 -5.262 1.00 0.00 H ATOM 1102 N ILE A 74 8.948 9.087 -1.754 1.00 2.73 N ATOM 1103 CA ILE A 74 8.337 9.632 -0.602 1.00 4.32 C ATOM 1104 C ILE A 74 9.024 8.911 0.528 1.00 4.35 C ATOM 1105 O ILE A 74 9.256 7.696 0.416 1.00 4.31 O ATOM 1106 CB ILE A 74 6.778 9.448 -0.566 1.00 3.19 C ATOM 1107 CG1 ILE A 74 6.267 10.195 0.654 1.00 2.00 C ATOM 1108 CG2 ILE A 74 6.348 7.974 -0.578 1.00 7.69 C ATOM 1109 CD1 ILE A 74 4.862 10.748 0.683 1.00 2.00 C ATOM 1110 HA ILE A 74 8.452 10.715 -0.556 1.00 0.00 H ATOM 1111 HB ILE A 74 6.336 9.860 -1.473 1.00 0.00 H ATOM 1112 HG12 ILE A 74 6.350 9.510 1.497 1.00 0.00 H ATOM 1113 HG13 ILE A 74 6.938 11.040 0.807 1.00 0.00 H ATOM 1114 HD11 ILE A 74 4.738 11.464 -0.129 1.00 0.00 H ATOM 1115 HD12 ILE A 74 4.149 9.932 0.562 1.00 0.00 H ATOM 1116 HD13 ILE A 74 4.688 11.245 1.637 1.00 0.00 H ATOM 1117 HG21 ILE A 74 6.718 7.496 -1.485 1.00 0.00 H ATOM 1118 HG22 ILE A 74 6.762 7.469 0.295 1.00 0.00 H ATOM 1119 HG23 ILE A 74 5.260 7.914 -0.552 1.00 0.00 H ATOM 1120 H ILE A 74 9.255 8.093 -1.750 1.00 0.00 H ATOM 1121 N TYR A 75 9.366 9.672 1.568 1.00 20.00 N ATOM 1122 CA TYR A 75 9.797 9.183 2.871 1.00 20.00 C ATOM 1123 C TYR A 75 9.009 9.847 3.997 1.00 20.00 C ATOM 1124 O TYR A 75 9.064 11.049 4.168 1.00 3.91 O ATOM 1125 CB TYR A 75 11.295 9.421 3.066 1.00 20.00 C ATOM 1126 CG TYR A 75 11.823 8.942 4.400 1.00 20.00 C ATOM 1127 CD1 TYR A 75 11.755 7.600 4.754 1.00 20.00 C ATOM 1128 CD2 TYR A 75 12.389 9.831 5.303 1.00 20.00 C ATOM 1129 CE1 TYR A 75 12.236 7.158 5.972 1.00 20.00 C ATOM 1130 CE2 TYR A 75 12.873 9.398 6.524 1.00 20.00 C ATOM 1131 CZ TYR A 75 12.795 8.062 6.852 1.00 20.00 C ATOM 1132 OH TYR A 75 13.273 7.625 8.066 1.00 20.00 O ATOM 1133 HA TYR A 75 9.603 8.111 2.905 1.00 0.00 H ATOM 1134 HB3 TYR A 75 11.486 10.491 2.985 1.00 0.00 H ATOM 1135 HB2 TYR A 75 11.832 8.896 2.276 1.00 0.00 H ATOM 1136 HD2 TYR A 75 12.453 10.888 5.046 1.00 0.00 H ATOM 1137 HE2 TYR A 75 13.314 10.109 7.223 1.00 0.00 H ATOM 1138 HE1 TYR A 75 12.174 6.102 6.236 1.00 0.00 H ATOM 1139 HD1 TYR A 75 11.315 6.884 4.060 1.00 0.00 H ATOM 1140 HH TYR A 75 14.238 7.834 8.134 1.00 0.00 H ATOM 1141 H TYR A 75 9.321 10.703 1.438 1.00 0.00 H ATOM 1142 N PHE A 76 8.296 9.079 4.792 1.00 2.39 N ATOM 1143 CA PHE A 76 7.457 9.647 5.847 1.00 2.21 C ATOM 1144 C PHE A 76 7.311 8.762 7.126 1.00 2.00 C ATOM 1145 O PHE A 76 7.682 7.534 7.184 1.00 2.00 O ATOM 1146 CB PHE A 76 6.033 9.980 5.316 1.00 3.04 C ATOM 1147 CG PHE A 76 5.290 8.832 4.692 1.00 2.00 C ATOM 1148 CD1 PHE A 76 5.676 8.321 3.467 1.00 2.00 C ATOM 1149 CD2 PHE A 76 4.184 8.285 5.325 1.00 2.00 C ATOM 1150 CE1 PHE A 76 4.973 7.247 2.839 1.00 3.78 C ATOM 1151 CE2 PHE A 76 3.430 7.245 4.726 1.00 2.00 C ATOM 1152 CZ PHE A 76 3.798 6.746 3.481 1.00 2.00 C ATOM 1153 HA PHE A 76 7.988 10.551 6.145 1.00 0.00 H ATOM 1154 HB2 PHE A 76 5.440 10.349 6.153 1.00 0.00 H ATOM 1155 HB3 PHE A 76 6.129 10.765 4.566 1.00 0.00 H ATOM 1156 HD2 PHE A 76 3.888 8.663 6.304 1.00 0.00 H ATOM 1157 HE2 PHE A 76 2.561 6.836 5.241 1.00 0.00 H ATOM 1158 HZ PHE A 76 3.194 5.978 2.998 1.00 0.00 H ATOM 1159 HE1 PHE A 76 5.322 6.822 1.898 1.00 0.00 H ATOM 1160 HD1 PHE A 76 6.543 8.750 2.965 1.00 0.00 H ATOM 1161 H PHE A 76 8.329 8.047 4.668 1.00 0.00 H ATOM 1162 N TYR A 77 6.741 9.419 8.128 1.00 2.00 N ATOM 1163 CA TYR A 77 6.437 8.797 9.423 1.00 2.00 C ATOM 1164 C TYR A 77 4.955 8.616 9.557 1.00 2.00 C ATOM 1165 O TYR A 77 4.154 9.523 9.245 1.00 2.00 O ATOM 1166 CB TYR A 77 7.026 9.634 10.599 1.00 2.00 C ATOM 1167 CG TYR A 77 8.378 9.124 10.970 1.00 4.78 C ATOM 1168 CD1 TYR A 77 9.544 9.602 10.353 1.00 9.75 C ATOM 1169 CD2 TYR A 77 8.510 8.090 11.917 1.00 9.92 C ATOM 1170 CE1 TYR A 77 10.845 9.038 10.672 1.00 12.33 C ATOM 1171 CE2 TYR A 77 9.748 7.531 12.256 1.00 10.79 C ATOM 1172 CZ TYR A 77 10.940 7.991 11.644 1.00 14.53 C ATOM 1173 OH TYR A 77 12.164 7.383 12.061 1.00 10.68 O ATOM 1174 HA TYR A 77 6.909 7.816 9.468 1.00 0.00 H ATOM 1175 HB3 TYR A 77 6.364 9.559 11.461 1.00 0.00 H ATOM 1176 HB2 TYR A 77 7.106 10.677 10.294 1.00 0.00 H ATOM 1177 HD2 TYR A 77 7.613 7.710 12.405 1.00 0.00 H ATOM 1178 HE2 TYR A 77 9.795 6.734 12.998 1.00 0.00 H ATOM 1179 HE1 TYR A 77 11.741 9.409 10.175 1.00 0.00 H ATOM 1180 HD1 TYR A 77 9.473 10.409 9.623 1.00 0.00 H ATOM 1181 HH TYR A 77 12.918 7.788 11.564 1.00 0.00 H ATOM 1182 H TYR A 77 6.498 10.421 7.990 1.00 0.00 H ATOM 1183 N LEU A 78 4.579 7.452 10.023 1.00 2.00 N ATOM 1184 CA LEU A 78 3.177 7.258 10.271 1.00 4.02 C ATOM 1185 C LEU A 78 3.155 6.636 11.668 1.00 6.34 C ATOM 1186 O LEU A 78 3.006 5.440 11.814 1.00 9.29 O ATOM 1187 CB LEU A 78 2.553 6.460 9.103 1.00 2.95 C ATOM 1188 CG LEU A 78 1.047 6.330 9.000 1.00 2.03 C ATOM 1189 CD1 LEU A 78 0.372 7.664 8.732 1.00 2.36 C ATOM 1190 CD2 LEU A 78 0.729 5.394 7.892 1.00 2.00 C ATOM 1191 HA LEU A 78 2.547 8.148 10.287 1.00 0.00 H ATOM 1192 HB2 LEU A 78 2.893 6.931 8.181 1.00 0.00 H ATOM 1193 HB3 LEU A 78 2.954 5.448 9.162 1.00 0.00 H ATOM 1194 HG LEU A 78 0.673 5.958 9.954 1.00 0.00 H ATOM 1195 HD21 LEU A 78 1.134 5.787 6.959 1.00 0.00 H ATOM 1196 HD22 LEU A 78 1.173 4.421 8.101 1.00 0.00 H ATOM 1197 HD23 LEU A 78 -0.353 5.290 7.805 1.00 0.00 H ATOM 1198 HD11 LEU A 78 0.598 8.354 9.545 1.00 0.00 H ATOM 1199 HD12 LEU A 78 0.742 8.075 7.792 1.00 0.00 H ATOM 1200 HD13 LEU A 78 -0.706 7.518 8.667 1.00 0.00 H ATOM 1201 H LEU A 78 5.269 6.696 10.207 1.00 0.00 H ATOM 1202 N GLY A 79 3.358 7.485 12.691 1.00 8.54 N ATOM 1203 CA GLY A 79 3.574 7.099 14.112 1.00 10.05 C ATOM 1204 C GLY A 79 5.046 6.807 14.415 1.00 11.76 C ATOM 1205 O GLY A 79 5.940 7.601 14.017 1.00 12.03 O ATOM 1206 HA3 GLY A 79 2.987 6.206 14.326 1.00 0.00 H ATOM 1207 HA2 GLY A 79 3.239 7.915 14.752 1.00 0.00 H ATOM 1208 H GLY A 79 3.365 8.501 12.470 1.00 0.00 H ATOM 1209 N GLN A 80 5.347 5.692 15.101 1.00 12.34 N ATOM 1210 CA GLN A 80 6.787 5.336 15.284 1.00 11.94 C ATOM 1211 C GLN A 80 7.338 4.507 14.135 1.00 10.83 C ATOM 1212 O GLN A 80 8.438 3.976 14.260 1.00 12.78 O ATOM 1213 CB GLN A 80 7.019 4.574 16.580 1.00 12.30 C ATOM 1214 CG GLN A 80 7.357 5.438 17.780 1.00 13.26 C ATOM 1215 CD GLN A 80 7.327 4.591 19.027 1.00 13.02 C ATOM 1216 OE1 GLN A 80 6.490 3.700 19.142 1.00 13.45 O ATOM 1217 NE2 GLN A 80 8.247 4.833 19.944 1.00 12.74 N ATOM 1218 HA GLN A 80 7.316 6.289 15.315 1.00 0.00 H ATOM 1219 HB2 GLN A 80 6.112 4.014 16.810 1.00 0.00 H ATOM 1220 HB3 GLN A 80 7.843 3.879 16.421 1.00 0.00 H ATOM 1221 HG2 GLN A 80 8.352 5.865 17.653 1.00 0.00 H ATOM 1222 HG3 GLN A 80 6.626 6.242 17.868 1.00 0.00 H ATOM 1223 HE22 GLN A 80 8.935 5.600 19.801 1.00 0.00 H ATOM 1224 HE21 GLN A 80 8.283 4.257 20.809 1.00 0.00 H ATOM 1225 H GLN A 80 4.596 5.091 15.495 1.00 0.00 H ATOM 1226 N VAL A 81 6.568 4.377 13.054 1.00 8.05 N ATOM 1227 CA VAL A 81 7.009 3.763 11.828 1.00 5.83 C ATOM 1228 C VAL A 81 7.385 4.753 10.653 1.00 3.50 C ATOM 1229 O VAL A 81 6.698 5.670 10.366 1.00 2.55 O ATOM 1230 CB VAL A 81 5.897 2.840 11.354 1.00 6.06 C ATOM 1231 CG1 VAL A 81 6.485 1.775 10.392 1.00 6.69 C ATOM 1232 CG2 VAL A 81 5.240 2.229 12.545 1.00 6.46 C ATOM 1233 HA VAL A 81 7.939 3.245 12.064 1.00 0.00 H ATOM 1234 HB VAL A 81 5.139 3.394 10.800 1.00 0.00 H ATOM 1235 HG11 VAL A 81 6.936 2.272 9.533 1.00 0.00 H ATOM 1236 HG12 VAL A 81 7.243 1.193 10.916 1.00 0.00 H ATOM 1237 HG13 VAL A 81 5.688 1.114 10.053 1.00 0.00 H ATOM 1238 HG21 VAL A 81 5.976 1.660 13.113 1.00 0.00 H ATOM 1239 HG22 VAL A 81 4.825 3.017 13.173 1.00 0.00 H ATOM 1240 HG23 VAL A 81 4.441 1.565 12.217 1.00 0.00 H ATOM 1241 H VAL A 81 5.594 4.739 13.099 1.00 0.00 H ATOM 1242 N ALA A 82 8.484 4.477 9.977 1.00 2.89 N ATOM 1243 CA ALA A 82 9.063 5.256 8.914 1.00 2.05 C ATOM 1244 C ALA A 82 8.840 4.401 7.668 1.00 3.95 C ATOM 1245 O ALA A 82 9.063 3.155 7.632 1.00 3.73 O ATOM 1246 CB ALA A 82 10.476 5.516 9.145 1.00 2.00 C ATOM 1247 HA ALA A 82 8.610 6.244 8.827 1.00 0.00 H ATOM 1248 HB1 ALA A 82 10.595 6.066 10.078 1.00 0.00 H ATOM 1249 HB2 ALA A 82 11.013 4.569 9.209 1.00 0.00 H ATOM 1250 HB3 ALA A 82 10.875 6.106 8.320 1.00 0.00 H ATOM 1251 H ALA A 82 8.985 3.604 10.240 1.00 0.00 H ATOM 1252 N ILE A 83 8.287 5.064 6.657 1.00 4.34 N ATOM 1253 CA ILE A 83 8.031 4.412 5.417 1.00 2.82 C ATOM 1254 C ILE A 83 8.824 5.105 4.312 1.00 2.00 C ATOM 1255 O ILE A 83 8.766 6.330 4.160 1.00 2.00 O ATOM 1256 CB ILE A 83 6.505 4.399 5.048 1.00 4.49 C ATOM 1257 CG1 ILE A 83 5.600 3.556 5.929 1.00 2.35 C ATOM 1258 CG2 ILE A 83 6.246 3.823 3.650 1.00 2.00 C ATOM 1259 CD1 ILE A 83 5.110 4.110 7.134 1.00 4.68 C ATOM 1260 HA ILE A 83 8.345 3.373 5.518 1.00 0.00 H ATOM 1261 HB ILE A 83 6.267 5.457 5.158 1.00 0.00 H ATOM 1262 HG12 ILE A 83 4.734 3.281 5.328 1.00 0.00 H ATOM 1263 HG13 ILE A 83 6.157 2.657 6.193 1.00 0.00 H ATOM 1264 HD11 ILE A 83 5.949 4.377 7.777 1.00 0.00 H ATOM 1265 HD12 ILE A 83 4.524 5.001 6.911 1.00 0.00 H ATOM 1266 HD13 ILE A 83 4.481 3.377 7.640 1.00 0.00 H ATOM 1267 HG21 ILE A 83 6.767 4.427 2.907 1.00 0.00 H ATOM 1268 HG22 ILE A 83 6.612 2.797 3.608 1.00 0.00 H ATOM 1269 HG23 ILE A 83 5.176 3.837 3.445 1.00 0.00 H ATOM 1270 H ILE A 83 8.039 6.067 6.773 1.00 0.00 H ATOM 1271 N LEU A 84 9.545 4.293 3.546 1.00 2.02 N ATOM 1272 CA LEU A 84 10.194 4.710 2.300 1.00 2.32 C ATOM 1273 C LEU A 84 9.587 3.993 1.105 1.00 2.67 C ATOM 1274 O LEU A 84 9.479 2.777 1.075 1.00 2.00 O ATOM 1275 CB LEU A 84 11.695 4.452 2.363 1.00 2.50 C ATOM 1276 CG LEU A 84 12.481 4.685 1.066 1.00 2.00 C ATOM 1277 CD1 LEU A 84 12.435 6.185 0.605 1.00 2.00 C ATOM 1278 CD2 LEU A 84 13.891 4.173 1.242 1.00 2.00 C ATOM 1279 HA LEU A 84 10.029 5.781 2.178 1.00 0.00 H ATOM 1280 HB2 LEU A 84 12.113 5.108 3.127 1.00 0.00 H ATOM 1281 HB3 LEU A 84 11.841 3.413 2.658 1.00 0.00 H ATOM 1282 HG LEU A 84 12.008 4.124 0.260 1.00 0.00 H ATOM 1283 HD21 LEU A 84 14.370 4.707 2.062 1.00 0.00 H ATOM 1284 HD22 LEU A 84 13.864 3.107 1.468 1.00 0.00 H ATOM 1285 HD23 LEU A 84 14.453 4.337 0.323 1.00 0.00 H ATOM 1286 HD11 LEU A 84 11.400 6.479 0.431 1.00 0.00 H ATOM 1287 HD12 LEU A 84 12.868 6.816 1.381 1.00 0.00 H ATOM 1288 HD13 LEU A 84 13.006 6.298 -0.317 1.00 0.00 H ATOM 1289 H LEU A 84 9.655 3.304 3.848 1.00 0.00 H ATOM 1290 N LEU A 85 9.125 4.776 0.134 1.00 3.58 N ATOM 1291 CA LEU A 85 8.403 4.257 -1.056 1.00 2.69 C ATOM 1292 C LEU A 85 8.956 5.015 -2.228 1.00 3.98 C ATOM 1293 O LEU A 85 8.904 6.246 -2.243 1.00 5.62 O ATOM 1294 CB LEU A 85 6.872 4.379 -0.939 1.00 2.00 C ATOM 1295 CG LEU A 85 5.977 3.883 -2.076 1.00 2.00 C ATOM 1296 CD1 LEU A 85 6.106 2.414 -2.245 1.00 2.00 C ATOM 1297 CD2 LEU A 85 4.457 4.295 -1.854 1.00 2.00 C ATOM 1298 HA LEU A 85 8.563 3.185 -1.167 1.00 0.00 H ATOM 1299 HB2 LEU A 85 6.579 3.829 -0.045 1.00 0.00 H ATOM 1300 HB3 LEU A 85 6.650 5.437 -0.802 1.00 0.00 H ATOM 1301 HG LEU A 85 6.315 4.367 -2.992 1.00 0.00 H ATOM 1302 HD21 LEU A 85 4.097 3.862 -0.921 1.00 0.00 H ATOM 1303 HD22 LEU A 85 4.380 5.381 -1.806 1.00 0.00 H ATOM 1304 HD23 LEU A 85 3.856 3.923 -2.684 1.00 0.00 H ATOM 1305 HD11 LEU A 85 7.141 2.166 -2.478 1.00 0.00 H ATOM 1306 HD12 LEU A 85 5.811 1.916 -1.321 1.00 0.00 H ATOM 1307 HD13 LEU A 85 5.460 2.085 -3.059 1.00 0.00 H ATOM 1308 H LEU A 85 9.277 5.802 0.212 1.00 0.00 H ATOM 1309 N PHE A 86 9.537 4.304 -3.194 1.00 4.16 N ATOM 1310 CA PHE A 86 10.168 4.967 -4.315 1.00 3.91 C ATOM 1311 C PHE A 86 10.048 4.032 -5.459 1.00 3.20 C ATOM 1312 O PHE A 86 9.764 2.887 -5.283 1.00 3.48 O ATOM 1313 CB PHE A 86 11.671 5.399 -3.997 1.00 3.88 C ATOM 1314 CG PHE A 86 12.635 4.253 -3.884 1.00 3.64 C ATOM 1315 CD1 PHE A 86 12.762 3.543 -2.657 1.00 2.13 C ATOM 1316 CD2 PHE A 86 13.390 3.828 -5.000 1.00 2.00 C ATOM 1317 CE1 PHE A 86 13.652 2.429 -2.534 1.00 2.78 C ATOM 1318 CE2 PHE A 86 14.299 2.696 -4.903 1.00 2.00 C ATOM 1319 CZ PHE A 86 14.404 1.981 -3.660 1.00 2.05 C ATOM 1320 HA PHE A 86 9.677 5.912 -4.548 1.00 0.00 H ATOM 1321 HB2 PHE A 86 12.014 6.056 -4.797 1.00 0.00 H ATOM 1322 HB3 PHE A 86 11.677 5.944 -3.053 1.00 0.00 H ATOM 1323 HD2 PHE A 86 13.290 4.356 -5.948 1.00 0.00 H ATOM 1324 HE2 PHE A 86 14.895 2.393 -5.764 1.00 0.00 H ATOM 1325 HZ PHE A 86 15.050 1.107 -3.579 1.00 0.00 H ATOM 1326 HE1 PHE A 86 13.756 1.921 -1.575 1.00 0.00 H ATOM 1327 HD1 PHE A 86 12.171 3.853 -1.795 1.00 0.00 H ATOM 1328 H PHE A 86 9.537 3.265 -3.142 1.00 0.00 H ATOM 1329 N LYS A 87 10.322 4.515 -6.647 1.00 4.04 N ATOM 1330 CA LYS A 87 10.256 3.726 -7.849 1.00 4.57 C ATOM 1331 C LYS A 87 11.561 3.747 -8.534 1.00 4.82 C ATOM 1332 O LYS A 87 12.132 4.795 -8.717 1.00 4.95 O ATOM 1333 CB LYS A 87 9.202 4.347 -8.744 1.00 5.82 C ATOM 1334 CG LYS A 87 8.735 3.535 -9.934 1.00 6.01 C ATOM 1335 CD LYS A 87 7.611 4.268 -10.666 1.00 7.53 C ATOM 1336 CE LYS A 87 7.748 4.055 -12.156 1.00 10.04 C ATOM 1337 NZ LYS A 87 6.504 3.465 -12.659 1.00 13.10 N ATOM 1338 HA LYS A 87 10.005 2.691 -7.615 1.00 0.00 H ATOM 1339 HB2 LYS A 87 8.328 4.555 -8.126 1.00 0.00 H ATOM 1340 HB3 LYS A 87 9.607 5.284 -9.125 1.00 0.00 H ATOM 1341 HG2 LYS A 87 9.571 3.383 -10.617 1.00 0.00 H ATOM 1342 HG3 LYS A 87 8.369 2.568 -9.589 1.00 0.00 H ATOM 1343 HD2 LYS A 87 6.648 3.881 -10.332 1.00 0.00 H ATOM 1344 HD3 LYS A 87 7.670 5.334 -10.445 1.00 0.00 H ATOM 1345 HE2 LYS A 87 8.582 3.382 -12.356 1.00 0.00 H ATOM 1346 HE3 LYS A 87 7.928 5.010 -12.649 1.00 0.00 H ATOM 1347 HZ1 LYS A 87 6.337 2.555 -12.184 1.00 0.00 H ATOM 1348 HZ2 LYS A 87 5.712 4.110 -12.464 1.00 0.00 H ATOM 1349 HZ3 LYS A 87 6.584 3.313 -13.685 1.00 0.00 H ATOM 1350 H LYS A 87 10.600 5.514 -6.724 1.00 0.00 H ATOM 1351 N SER A 88 12.089 2.569 -8.858 1.00 5.74 N ATOM 1352 CA SER A 88 13.278 2.387 -9.685 1.00 5.79 C ATOM 1353 C SER A 88 13.174 1.105 -10.426 1.00 5.49 C ATOM 1354 O SER A 88 12.884 0.119 -9.799 1.00 6.72 O ATOM 1355 CB SER A 88 14.517 2.269 -8.868 1.00 6.42 C ATOM 1356 OG SER A 88 15.676 2.032 -9.704 1.00 8.68 O ATOM 1357 HA SER A 88 13.334 3.257 -10.340 1.00 0.00 H ATOM 1358 HB2 SER A 88 14.406 1.439 -8.171 1.00 0.00 H ATOM 1359 HB3 SER A 88 14.664 3.193 -8.310 1.00 0.00 H ATOM 1360 HG SER A 88 15.550 1.191 -10.210 1.00 0.00 H ATOM 1361 H SER A 88 11.620 1.715 -8.495 1.00 0.00 H ATOM 1362 N GLY A 89 13.405 1.087 -11.739 1.00 6.29 N ATOM 1363 CA GLY A 89 13.247 -0.137 -12.590 1.00 6.11 C ATOM 1364 C GLY A 89 11.784 -0.400 -12.973 1.00 7.60 C ATOM 1365 O GLY A 89 10.773 0.302 -12.517 1.00 7.08 O ATOM 1366 HA3 GLY A 89 13.625 -0.998 -12.039 1.00 0.00 H ATOM 1367 HA2 GLY A 89 13.830 -0.007 -13.502 1.00 0.00 H ATOM 1368 OXT GLY A 89 11.615 -1.380 -13.715 1.00 6.89 O ATOM 1369 H GLY A 89 13.711 1.969 -12.197 1.00 0.00 H TER 1370 GLY A 89 ATOM 1371 N LYS B 5 32.046 -11.700 11.179 1.00 14.85 N ATOM 1372 CA LYS B 5 30.802 -11.609 11.963 1.00 14.61 C ATOM 1373 C LYS B 5 29.633 -11.428 11.047 1.00 13.81 C ATOM 1374 O LYS B 5 28.546 -11.163 11.525 1.00 14.36 O ATOM 1375 CB LYS B 5 30.832 -10.436 12.967 1.00 14.68 C ATOM 1376 HA LYS B 5 30.708 -12.539 12.524 1.00 0.00 H ATOM 1377 HB2 LYS B 5 31.662 -10.574 13.660 1.00 0.00 H ATOM 1378 HB3 LYS B 5 30.962 -9.499 12.425 1.00 0.00 H ATOM 1379 HN3 LYS B 5 32.173 -10.826 10.630 1.00 0.00 H ATOM 1380 HN2 LYS B 5 31.988 -12.512 10.532 1.00 0.00 H ATOM 1381 HN1 LYS B 5 32.852 -11.826 11.824 1.00 0.00 H ATOM 1382 N ALA B 6 29.840 -11.489 9.735 1.00 12.35 N ATOM 1383 CA ALA B 6 28.692 -11.388 8.806 1.00 10.80 C ATOM 1384 C ALA B 6 27.836 -12.621 8.878 1.00 9.92 C ATOM 1385 O ALA B 6 28.357 -13.691 8.997 1.00 8.52 O ATOM 1386 CB ALA B 6 29.144 -11.186 7.381 1.00 10.65 C ATOM 1387 HA ALA B 6 28.110 -10.520 9.116 1.00 0.00 H ATOM 1388 HB1 ALA B 6 29.724 -10.266 7.312 1.00 0.00 H ATOM 1389 HB2 ALA B 6 29.762 -12.030 7.074 1.00 0.00 H ATOM 1390 HB3 ALA B 6 28.272 -11.117 6.731 1.00 0.00 H ATOM 1391 H ALA B 6 30.804 -11.607 9.363 1.00 0.00 H ATOM 1392 N VAL B 7 26.521 -12.429 8.847 1.00 9.99 N ATOM 1393 CA VAL B 7 25.580 -13.519 8.792 1.00 9.36 C ATOM 1394 C VAL B 7 24.607 -13.252 7.630 1.00 9.21 C ATOM 1395 O VAL B 7 23.948 -12.200 7.578 1.00 7.46 O ATOM 1396 CB VAL B 7 24.861 -13.682 10.135 1.00 10.97 C ATOM 1397 CG1 VAL B 7 23.557 -14.547 9.969 1.00 9.79 C ATOM 1398 CG2 VAL B 7 25.839 -14.226 11.244 1.00 9.68 C ATOM 1399 HA VAL B 7 26.094 -14.463 8.609 1.00 0.00 H ATOM 1400 HB VAL B 7 24.536 -12.701 10.481 1.00 0.00 H ATOM 1401 HG11 VAL B 7 22.884 -14.056 9.266 1.00 0.00 H ATOM 1402 HG12 VAL B 7 23.823 -15.534 9.590 1.00 0.00 H ATOM 1403 HG13 VAL B 7 23.064 -14.648 10.936 1.00 0.00 H ATOM 1404 HG21 VAL B 7 26.229 -15.197 10.938 1.00 0.00 H ATOM 1405 HG22 VAL B 7 26.664 -13.526 11.374 1.00 0.00 H ATOM 1406 HG23 VAL B 7 25.298 -14.330 12.184 1.00 0.00 H ATOM 1407 H VAL B 7 26.157 -11.455 8.863 1.00 0.00 H ATOM 1408 N ILE B 8 24.605 -14.175 6.657 1.00 9.30 N ATOM 1409 CA ILE B 8 23.840 -13.923 5.412 1.00 8.63 C ATOM 1410 C ILE B 8 22.489 -14.589 5.501 1.00 7.39 C ATOM 1411 O ILE B 8 22.421 -15.761 5.238 1.00 6.33 O ATOM 1412 CB ILE B 8 24.570 -14.402 4.152 1.00 9.66 C ATOM 1413 CG1 ILE B 8 25.917 -13.738 4.173 1.00 7.56 C ATOM 1414 CG2 ILE B 8 23.744 -13.993 3.000 1.00 7.95 C ATOM 1415 CD1 ILE B 8 26.741 -13.669 2.853 1.00 10.60 C ATOM 1416 HA ILE B 8 23.727 -12.843 5.322 1.00 0.00 H ATOM 1417 HB ILE B 8 24.716 -15.481 4.094 1.00 0.00 H ATOM 1418 HG12 ILE B 8 25.764 -12.712 4.509 1.00 0.00 H ATOM 1419 HG13 ILE B 8 26.526 -14.271 4.903 1.00 0.00 H ATOM 1420 HD11 ILE B 8 26.937 -14.680 2.496 1.00 0.00 H ATOM 1421 HD12 ILE B 8 26.175 -13.120 2.101 1.00 0.00 H ATOM 1422 HD13 ILE B 8 27.686 -13.159 3.042 1.00 0.00 H ATOM 1423 HG21 ILE B 8 22.760 -14.456 3.078 1.00 0.00 H ATOM 1424 HG22 ILE B 8 23.638 -12.908 2.998 1.00 0.00 H ATOM 1425 HG23 ILE B 8 24.226 -14.314 2.077 1.00 0.00 H ATOM 1426 H ILE B 8 25.136 -15.061 6.775 1.00 0.00 H ATOM 1427 N LYS B 9 21.447 -13.813 5.818 1.00 6.91 N ATOM 1428 CA LYS B 9 20.079 -14.321 5.951 1.00 6.19 C ATOM 1429 C LYS B 9 19.525 -14.802 4.644 1.00 4.54 C ATOM 1430 O LYS B 9 19.255 -15.930 4.509 1.00 4.37 O ATOM 1431 CB LYS B 9 19.179 -13.222 6.466 1.00 7.04 C ATOM 1432 CG LYS B 9 19.388 -12.745 7.881 1.00 9.68 C ATOM 1433 CD LYS B 9 18.150 -13.191 8.705 1.00 11.08 C ATOM 1434 CE LYS B 9 18.518 -13.579 10.162 1.00 13.15 C ATOM 1435 NZ LYS B 9 17.623 -12.870 11.139 1.00 13.20 N ATOM 1436 HA LYS B 9 20.114 -15.161 6.645 1.00 0.00 H ATOM 1437 HB2 LYS B 9 19.309 -12.361 5.810 1.00 0.00 H ATOM 1438 HB3 LYS B 9 18.153 -13.581 6.392 1.00 0.00 H ATOM 1439 HG2 LYS B 9 20.293 -13.190 8.295 1.00 0.00 H ATOM 1440 HG3 LYS B 9 19.478 -11.659 7.900 1.00 0.00 H ATOM 1441 HD2 LYS B 9 17.433 -12.371 8.731 1.00 0.00 H ATOM 1442 HD3 LYS B 9 17.696 -14.053 8.217 1.00 0.00 H ATOM 1443 HE2 LYS B 9 19.554 -13.300 10.357 1.00 0.00 H ATOM 1444 HE3 LYS B 9 18.403 -14.656 10.286 1.00 0.00 H ATOM 1445 HZ1 LYS B 9 17.733 -11.842 11.025 1.00 0.00 H ATOM 1446 HZ2 LYS B 9 16.634 -13.136 10.958 1.00 0.00 H ATOM 1447 HZ3 LYS B 9 17.885 -13.143 12.108 1.00 0.00 H ATOM 1448 H LYS B 9 21.616 -12.799 5.978 1.00 0.00 H ATOM 1449 N ASN B 10 19.403 -13.914 3.667 1.00 4.21 N ATOM 1450 CA ASN B 10 18.858 -14.217 2.384 1.00 3.85 C ATOM 1451 C ASN B 10 19.675 -13.569 1.342 1.00 3.88 C ATOM 1452 O ASN B 10 20.223 -12.468 1.513 1.00 3.77 O ATOM 1453 CB ASN B 10 17.434 -13.682 2.215 1.00 6.25 C ATOM 1454 CG ASN B 10 16.632 -14.374 1.058 1.00 6.45 C ATOM 1455 OD1 ASN B 10 17.130 -15.256 0.340 1.00 3.55 O ATOM 1456 ND2 ASN B 10 15.369 -13.996 0.932 1.00 6.06 N ATOM 1457 HA ASN B 10 18.852 -15.303 2.295 1.00 0.00 H ATOM 1458 HB2 ASN B 10 16.894 -13.838 3.149 1.00 0.00 H ATOM 1459 HB3 ASN B 10 17.490 -12.614 2.004 1.00 0.00 H ATOM 1460 HD22 ASN B 10 14.984 -13.254 1.550 1.00 0.00 H ATOM 1461 HD21 ASN B 10 14.762 -14.441 0.215 1.00 0.00 H ATOM 1462 H ASN B 10 19.723 -12.941 3.846 1.00 0.00 H ATOM 1463 N ALA B 11 19.757 -14.259 0.207 1.00 3.23 N ATOM 1464 CA ALA B 11 20.491 -13.714 -0.897 1.00 2.18 C ATOM 1465 C ALA B 11 20.072 -14.347 -2.181 1.00 2.00 C ATOM 1466 O ALA B 11 19.603 -15.470 -2.217 1.00 2.00 O ATOM 1467 CB ALA B 11 21.966 -13.964 -0.665 1.00 2.21 C ATOM 1468 HA ALA B 11 20.291 -12.645 -0.966 1.00 0.00 H ATOM 1469 HB1 ALA B 11 22.274 -13.480 0.262 1.00 0.00 H ATOM 1470 HB2 ALA B 11 22.144 -15.037 -0.593 1.00 0.00 H ATOM 1471 HB3 ALA B 11 22.538 -13.555 -1.498 1.00 0.00 H ATOM 1472 H ALA B 11 19.293 -15.186 0.122 1.00 0.00 H ATOM 1473 N ASP B 12 20.267 -13.598 -3.251 1.00 2.00 N ATOM 1474 CA ASP B 12 20.163 -14.094 -4.642 1.00 2.00 C ATOM 1475 C ASP B 12 21.319 -13.468 -5.449 1.00 2.12 C ATOM 1476 O ASP B 12 21.137 -12.502 -6.190 1.00 2.53 O ATOM 1477 CB ASP B 12 18.808 -13.803 -5.231 1.00 2.00 C ATOM 1478 CG ASP B 12 18.744 -14.071 -6.690 1.00 2.32 C ATOM 1479 OD1 ASP B 12 19.456 -14.967 -7.164 1.00 4.83 O ATOM 1480 OD2 ASP B 12 17.977 -13.389 -7.400 1.00 2.52 O ATOM 1481 HA ASP B 12 20.256 -15.180 -4.671 1.00 0.00 H ATOM 1482 HB2 ASP B 12 18.069 -14.427 -4.729 1.00 0.00 H ATOM 1483 HB3 ASP B 12 18.572 -12.753 -5.059 1.00 0.00 H ATOM 1484 H ASP B 12 20.509 -12.597 -3.107 1.00 0.00 H ATOM 1485 N MET B 13 22.549 -13.958 -5.237 1.00 2.00 N ATOM 1486 CA MET B 13 23.666 -13.422 -5.943 1.00 2.07 C ATOM 1487 C MET B 13 24.847 -14.314 -5.786 1.00 2.13 C ATOM 1488 O MET B 13 24.875 -15.157 -4.901 1.00 2.02 O ATOM 1489 CB MET B 13 24.007 -12.005 -5.399 1.00 3.48 C ATOM 1490 CG MET B 13 24.748 -11.833 -4.134 1.00 2.00 C ATOM 1491 SD MET B 13 25.457 -10.164 -3.851 1.00 3.11 S ATOM 1492 CE MET B 13 24.193 -8.878 -4.040 1.00 2.00 C ATOM 1493 HA MET B 13 23.411 -13.350 -7.000 1.00 0.00 H ATOM 1494 HB2 MET B 13 24.594 -11.509 -6.172 1.00 0.00 H ATOM 1495 HB3 MET B 13 23.058 -11.484 -5.275 1.00 0.00 H ATOM 1496 HG2 MET B 13 25.567 -12.552 -4.125 1.00 0.00 H ATOM 1497 HG3 MET B 13 24.065 -12.051 -3.313 1.00 0.00 H ATOM 1498 HE1 MET B 13 23.784 -8.918 -5.050 1.00 0.00 H ATOM 1499 HE2 MET B 13 23.395 -9.046 -3.317 1.00 0.00 H ATOM 1500 HE3 MET B 13 24.642 -7.900 -3.867 1.00 0.00 H ATOM 1501 H MET B 13 22.689 -14.731 -4.556 1.00 0.00 H ATOM 1502 N SER B 14 25.816 -14.168 -6.692 1.00 2.13 N ATOM 1503 CA SER B 14 26.973 -15.057 -6.679 1.00 2.51 C ATOM 1504 C SER B 14 27.701 -14.991 -5.326 1.00 3.54 C ATOM 1505 O SER B 14 27.888 -13.923 -4.717 1.00 5.25 O ATOM 1506 CB SER B 14 27.901 -14.706 -7.839 1.00 3.29 C ATOM 1507 OG SER B 14 28.450 -13.404 -7.754 1.00 2.00 O ATOM 1508 HA SER B 14 26.637 -16.086 -6.808 1.00 0.00 H ATOM 1509 HB2 SER B 14 27.335 -14.781 -8.768 1.00 0.00 H ATOM 1510 HB3 SER B 14 28.720 -15.425 -7.855 1.00 0.00 H ATOM 1511 HG SER B 14 29.039 -13.244 -8.534 1.00 0.00 H ATOM 1512 H SER B 14 25.746 -13.418 -7.409 1.00 0.00 H ATOM 1513 N GLU B 15 28.046 -16.135 -4.799 1.00 3.49 N ATOM 1514 CA GLU B 15 28.804 -16.191 -3.573 1.00 3.70 C ATOM 1515 C GLU B 15 30.038 -15.195 -3.538 1.00 4.63 C ATOM 1516 O GLU B 15 30.598 -14.813 -2.505 1.00 5.14 O ATOM 1517 CB GLU B 15 29.183 -17.675 -3.373 1.00 3.74 C ATOM 1518 CG GLU B 15 29.265 -18.102 -1.897 1.00 3.85 C ATOM 1519 CD GLU B 15 27.968 -18.167 -1.190 1.00 2.00 C ATOM 1520 OE1 GLU B 15 27.826 -17.526 -0.130 1.00 2.31 O ATOM 1521 OE2 GLU B 15 27.083 -18.860 -1.686 1.00 2.00 O ATOM 1522 HA GLU B 15 28.205 -15.838 -2.733 1.00 0.00 H ATOM 1523 HB2 GLU B 15 28.433 -18.291 -3.868 1.00 0.00 H ATOM 1524 HB3 GLU B 15 30.155 -17.847 -3.835 1.00 0.00 H ATOM 1525 HG2 GLU B 15 29.722 -19.091 -1.856 1.00 0.00 H ATOM 1526 HG3 GLU B 15 29.900 -17.387 -1.373 1.00 0.00 H ATOM 1527 H GLU B 15 27.770 -17.020 -5.271 1.00 0.00 H ATOM 1528 N GLU B 16 30.487 -14.801 -4.716 1.00 5.06 N ATOM 1529 CA GLU B 16 31.666 -13.995 -4.867 1.00 4.09 C ATOM 1530 C GLU B 16 31.287 -12.522 -4.794 1.00 3.09 C ATOM 1531 O GLU B 16 32.060 -11.688 -4.389 1.00 2.10 O ATOM 1532 CB GLU B 16 32.383 -14.348 -6.201 1.00 4.09 C ATOM 1533 CG GLU B 16 33.473 -13.320 -6.601 1.00 7.56 C ATOM 1534 CD GLU B 16 34.404 -13.797 -7.701 1.00 12.12 C ATOM 1535 OE1 GLU B 16 35.395 -14.564 -7.437 1.00 15.51 O ATOM 1536 OE2 GLU B 16 34.168 -13.365 -8.846 1.00 11.39 O ATOM 1537 HA GLU B 16 32.366 -14.201 -4.057 1.00 0.00 H ATOM 1538 HB2 GLU B 16 32.852 -15.326 -6.094 1.00 0.00 H ATOM 1539 HB3 GLU B 16 31.637 -14.389 -6.995 1.00 0.00 H ATOM 1540 HG2 GLU B 16 32.977 -12.411 -6.942 1.00 0.00 H ATOM 1541 HG3 GLU B 16 34.072 -13.096 -5.719 1.00 0.00 H ATOM 1542 H GLU B 16 29.965 -15.086 -5.569 1.00 0.00 H ATOM 1543 N MET B 17 30.060 -12.229 -5.178 1.00 2.87 N ATOM 1544 CA MET B 17 29.506 -10.904 -5.081 1.00 3.11 C ATOM 1545 C MET B 17 28.969 -10.691 -3.678 1.00 3.15 C ATOM 1546 O MET B 17 28.928 -9.578 -3.179 1.00 4.08 O ATOM 1547 CB MET B 17 28.405 -10.688 -6.152 1.00 2.80 C ATOM 1548 CG MET B 17 27.838 -9.274 -6.155 1.00 3.69 C ATOM 1549 SD MET B 17 26.531 -8.852 -7.404 1.00 6.51 S ATOM 1550 CE MET B 17 27.430 -9.074 -8.961 1.00 2.00 C ATOM 1551 HA MET B 17 30.286 -10.167 -5.273 1.00 0.00 H ATOM 1552 HB2 MET B 17 28.832 -10.892 -7.134 1.00 0.00 H ATOM 1553 HB3 MET B 17 27.591 -11.387 -5.958 1.00 0.00 H ATOM 1554 HG2 MET B 17 28.672 -8.592 -6.318 1.00 0.00 H ATOM 1555 HG3 MET B 17 27.411 -9.095 -5.168 1.00 0.00 H ATOM 1556 HE1 MET B 17 28.284 -8.397 -8.986 1.00 0.00 H ATOM 1557 HE2 MET B 17 27.779 -10.104 -9.034 1.00 0.00 H ATOM 1558 HE3 MET B 17 26.766 -8.854 -9.797 1.00 0.00 H ATOM 1559 H MET B 17 29.466 -12.989 -5.568 1.00 0.00 H ATOM 1560 N GLN B 18 28.548 -11.759 -3.026 1.00 3.36 N ATOM 1561 CA GLN B 18 28.190 -11.678 -1.596 1.00 2.85 C ATOM 1562 C GLN B 18 29.441 -11.279 -0.761 1.00 2.05 C ATOM 1563 O GLN B 18 29.368 -10.411 0.049 1.00 3.72 O ATOM 1564 CB GLN B 18 27.501 -12.984 -1.069 1.00 2.00 C ATOM 1565 CG GLN B 18 26.202 -13.401 -1.709 1.00 2.16 C ATOM 1566 CD GLN B 18 25.646 -14.669 -1.106 1.00 2.16 C ATOM 1567 OE1 GLN B 18 25.642 -14.869 0.141 1.00 2.01 O ATOM 1568 NE2 GLN B 18 25.235 -15.576 -1.975 1.00 2.00 N ATOM 1569 HA GLN B 18 27.439 -10.897 -1.477 1.00 0.00 H ATOM 1570 HB2 GLN B 18 28.208 -13.802 -1.205 1.00 0.00 H ATOM 1571 HB3 GLN B 18 27.309 -12.844 -0.005 1.00 0.00 H ATOM 1572 HG2 GLN B 18 25.473 -12.601 -1.577 1.00 0.00 H ATOM 1573 HG3 GLN B 18 26.372 -13.564 -2.773 1.00 0.00 H ATOM 1574 HE22 GLN B 18 25.256 -15.367 -2.994 1.00 0.00 H ATOM 1575 HE21 GLN B 18 24.890 -16.498 -1.640 1.00 0.00 H ATOM 1576 H GLN B 18 28.468 -12.668 -3.525 1.00 0.00 H ATOM 1577 N GLN B 19 30.555 -11.971 -0.919 1.00 2.00 N ATOM 1578 CA GLN B 19 31.785 -11.600 -0.234 1.00 2.05 C ATOM 1579 C GLN B 19 32.162 -10.123 -0.393 1.00 2.69 C ATOM 1580 O GLN B 19 32.557 -9.429 0.585 1.00 2.33 O ATOM 1581 CB GLN B 19 32.947 -12.431 -0.764 1.00 2.00 C ATOM 1582 CG GLN B 19 34.192 -12.339 0.072 1.00 4.17 C ATOM 1583 CD GLN B 19 33.857 -12.542 1.527 1.00 7.52 C ATOM 1584 OE1 GLN B 19 33.460 -13.643 1.919 1.00 5.81 O ATOM 1585 NE2 GLN B 19 33.938 -11.463 2.328 1.00 8.35 N ATOM 1586 HA GLN B 19 31.597 -11.787 0.823 1.00 0.00 H ATOM 1587 HB2 GLN B 19 32.634 -13.475 -0.801 1.00 0.00 H ATOM 1588 HB3 GLN B 19 33.183 -12.088 -1.771 1.00 0.00 H ATOM 1589 HG2 GLN B 19 34.897 -13.107 -0.246 1.00 0.00 H ATOM 1590 HG3 GLN B 19 34.643 -11.356 -0.060 1.00 0.00 H ATOM 1591 HE22 GLN B 19 34.280 -10.557 1.948 1.00 0.00 H ATOM 1592 HE21 GLN B 19 33.659 -11.535 3.327 1.00 0.00 H ATOM 1593 H GLN B 19 30.553 -12.800 -1.547 1.00 0.00 H ATOM 1594 N ASP B 20 32.073 -9.684 -1.652 1.00 2.71 N ATOM 1595 CA ASP B 20 32.332 -8.338 -2.032 1.00 2.48 C ATOM 1596 C ASP B 20 31.454 -7.380 -1.304 1.00 2.21 C ATOM 1597 O ASP B 20 31.919 -6.424 -0.730 1.00 2.00 O ATOM 1598 CB ASP B 20 32.012 -8.208 -3.495 1.00 3.83 C ATOM 1599 CG ASP B 20 33.080 -7.418 -4.213 1.00 6.49 C ATOM 1600 OD1 ASP B 20 34.268 -7.752 -4.023 1.00 5.44 O ATOM 1601 OD2 ASP B 20 32.743 -6.426 -4.876 1.00 13.43 O ATOM 1602 HA ASP B 20 33.373 -8.109 -1.802 1.00 0.00 H ATOM 1603 HB2 ASP B 20 31.947 -9.203 -3.936 1.00 0.00 H ATOM 1604 HB3 ASP B 20 31.055 -7.699 -3.607 1.00 0.00 H ATOM 1605 H ASP B 20 31.800 -10.362 -2.392 1.00 0.00 H ATOM 1606 N ALA B 21 30.145 -7.622 -1.400 1.00 3.40 N ATOM 1607 CA ALA B 21 29.171 -6.926 -0.564 1.00 3.33 C ATOM 1608 C ALA B 21 29.666 -6.803 0.890 1.00 3.17 C ATOM 1609 O ALA B 21 29.683 -5.709 1.450 1.00 3.77 O ATOM 1610 CB ALA B 21 27.724 -7.585 -0.652 1.00 2.76 C ATOM 1611 HA ALA B 21 29.072 -5.915 -0.958 1.00 0.00 H ATOM 1612 HB1 ALA B 21 27.373 -7.550 -1.683 1.00 0.00 H ATOM 1613 HB2 ALA B 21 27.777 -8.622 -0.320 1.00 0.00 H ATOM 1614 HB3 ALA B 21 27.035 -7.032 -0.013 1.00 0.00 H ATOM 1615 H ALA B 21 29.810 -8.325 -2.089 1.00 0.00 H ATOM 1616 N VAL B 22 30.116 -7.901 1.480 1.00 2.02 N ATOM 1617 CA VAL B 22 30.420 -7.890 2.916 1.00 2.00 C ATOM 1618 C VAL B 22 31.652 -7.109 3.219 1.00 2.00 C ATOM 1619 O VAL B 22 31.681 -6.437 4.184 1.00 2.00 O ATOM 1620 CB VAL B 22 30.605 -9.346 3.484 1.00 2.00 C ATOM 1621 CG1 VAL B 22 31.326 -9.307 4.837 1.00 2.00 C ATOM 1622 CG2 VAL B 22 29.223 -10.114 3.476 1.00 2.00 C ATOM 1623 HA VAL B 22 29.564 -7.416 3.397 1.00 0.00 H ATOM 1624 HB VAL B 22 31.259 -9.929 2.836 1.00 0.00 H ATOM 1625 HG11 VAL B 22 32.307 -8.848 4.712 1.00 0.00 H ATOM 1626 HG12 VAL B 22 30.737 -8.722 5.544 1.00 0.00 H ATOM 1627 HG13 VAL B 22 31.445 -10.323 5.213 1.00 0.00 H ATOM 1628 HG21 VAL B 22 28.506 -9.576 4.097 1.00 0.00 H ATOM 1629 HG22 VAL B 22 28.848 -10.174 2.454 1.00 0.00 H ATOM 1630 HG23 VAL B 22 29.365 -11.120 3.871 1.00 0.00 H ATOM 1631 H VAL B 22 30.254 -8.770 0.926 1.00 0.00 H ATOM 1632 N ASP B 23 32.685 -7.274 2.407 1.00 2.00 N ATOM 1633 CA ASP B 23 33.900 -6.496 2.431 1.00 2.00 C ATOM 1634 C ASP B 23 33.647 -4.987 2.286 1.00 2.00 C ATOM 1635 O ASP B 23 34.238 -4.176 2.957 1.00 2.00 O ATOM 1636 CB ASP B 23 34.763 -6.917 1.292 1.00 2.00 C ATOM 1637 CG ASP B 23 35.260 -8.306 1.419 1.00 2.00 C ATOM 1638 OD1 ASP B 23 35.103 -8.977 2.483 1.00 2.00 O ATOM 1639 OD2 ASP B 23 35.877 -8.727 0.424 1.00 7.10 O ATOM 1640 HA ASP B 23 34.372 -6.673 3.398 1.00 0.00 H ATOM 1641 HB2 ASP B 23 34.185 -6.838 0.371 1.00 0.00 H ATOM 1642 HB3 ASP B 23 35.620 -6.246 1.240 1.00 0.00 H ATOM 1643 H ASP B 23 32.615 -8.027 1.693 1.00 0.00 H ATOM 1644 N CYS B 24 32.780 -4.633 1.350 1.00 2.00 N ATOM 1645 CA CYS B 24 32.313 -3.294 1.213 1.00 3.31 C ATOM 1646 C CYS B 24 31.534 -2.726 2.448 1.00 4.22 C ATOM 1647 O CYS B 24 31.778 -1.585 2.867 1.00 4.78 O ATOM 1648 CB CYS B 24 31.380 -3.253 0.041 1.00 4.33 C ATOM 1649 SG CYS B 24 31.038 -1.617 -0.485 1.00 6.74 S ATOM 1650 HA CYS B 24 33.203 -2.676 1.098 1.00 0.00 H ATOM 1651 HB2 CYS B 24 30.443 -3.733 0.322 1.00 0.00 H ATOM 1652 HB3 CYS B 24 31.833 -3.799 -0.786 1.00 0.00 H ATOM 1653 HG CYS B 24 30.177 -1.653 -1.563 1.00 0.00 H ATOM 1654 H CYS B 24 32.428 -5.357 0.692 1.00 0.00 H ATOM 1655 N ALA B 25 30.573 -3.469 2.998 1.00 3.89 N ATOM 1656 CA ALA B 25 29.976 -3.110 4.305 1.00 3.33 C ATOM 1657 C ALA B 25 31.018 -3.000 5.443 1.00 4.42 C ATOM 1658 O ALA B 25 31.014 -2.025 6.211 1.00 5.36 O ATOM 1659 CB ALA B 25 28.909 -4.104 4.673 1.00 3.07 C ATOM 1660 HA ALA B 25 29.538 -2.119 4.188 1.00 0.00 H ATOM 1661 HB1 ALA B 25 28.131 -4.100 3.909 1.00 0.00 H ATOM 1662 HB2 ALA B 25 29.349 -5.099 4.740 1.00 0.00 H ATOM 1663 HB3 ALA B 25 28.476 -3.831 5.636 1.00 0.00 H ATOM 1664 H ALA B 25 30.236 -4.317 2.499 1.00 0.00 H ATOM 1665 N THR B 26 31.915 -3.985 5.549 1.00 4.30 N ATOM 1666 CA THR B 26 33.003 -3.927 6.519 1.00 3.36 C ATOM 1667 C THR B 26 33.781 -2.604 6.437 1.00 4.60 C ATOM 1668 O THR B 26 33.969 -1.966 7.523 1.00 5.27 O ATOM 1669 CB THR B 26 33.993 -5.134 6.357 1.00 2.68 C ATOM 1670 OG1 THR B 26 33.237 -6.358 6.207 1.00 2.00 O ATOM 1671 CG2 THR B 26 34.846 -5.220 7.540 1.00 2.00 C ATOM 1672 HA THR B 26 32.535 -3.989 7.502 1.00 0.00 H ATOM 1673 HB THR B 26 34.615 -4.986 5.474 1.00 0.00 H ATOM 1674 HG1 THR B 26 32.661 -6.292 5.405 1.00 0.00 H ATOM 1675 HG23 THR B 26 35.412 -4.295 7.646 1.00 0.00 H ATOM 1676 HG21 THR B 26 34.226 -5.371 8.423 1.00 0.00 H ATOM 1677 HG22 THR B 26 35.534 -6.058 7.430 1.00 0.00 H ATOM 1678 H THR B 26 31.835 -4.813 4.925 1.00 0.00 H ATOM 1679 N GLN B 27 34.272 -2.229 5.221 1.00 3.19 N ATOM 1680 CA GLN B 27 34.929 -0.964 4.969 1.00 3.67 C ATOM 1681 C GLN B 27 33.975 0.221 5.352 1.00 3.62 C ATOM 1682 O GLN B 27 34.338 1.244 5.950 1.00 2.00 O ATOM 1683 CB GLN B 27 35.368 -0.822 3.530 1.00 4.58 C ATOM 1684 CG GLN B 27 36.279 -1.938 2.914 1.00 11.92 C ATOM 1685 CD GLN B 27 36.701 -1.654 1.394 1.00 17.73 C ATOM 1686 OE1 GLN B 27 37.797 -1.144 1.157 1.00 18.75 O ATOM 1687 NE2 GLN B 27 35.834 -2.010 0.411 1.00 15.42 N ATOM 1688 HA GLN B 27 35.825 -0.935 5.589 1.00 0.00 H ATOM 1689 HB2 GLN B 27 34.465 -0.770 2.921 1.00 0.00 H ATOM 1690 HB3 GLN B 27 35.913 0.119 3.451 1.00 0.00 H ATOM 1691 HG2 GLN B 27 37.185 -2.015 3.515 1.00 0.00 H ATOM 1692 HG3 GLN B 27 35.739 -2.884 2.951 1.00 0.00 H ATOM 1693 HE22 GLN B 27 34.918 -2.438 0.655 1.00 0.00 H ATOM 1694 HE21 GLN B 27 36.086 -1.855 -0.586 1.00 0.00 H ATOM 1695 H GLN B 27 34.168 -2.892 4.427 1.00 0.00 H ATOM 1696 N ALA B 28 32.708 0.083 4.977 1.00 2.54 N ATOM 1697 CA ALA B 28 31.806 1.140 5.244 1.00 2.62 C ATOM 1698 C ALA B 28 31.756 1.435 6.766 1.00 2.49 C ATOM 1699 O ALA B 28 31.710 2.592 7.165 1.00 2.09 O ATOM 1700 CB ALA B 28 30.405 0.809 4.695 1.00 2.49 C ATOM 1701 HA ALA B 28 32.160 2.038 4.737 1.00 0.00 H ATOM 1702 HB1 ALA B 28 30.465 0.659 3.617 1.00 0.00 H ATOM 1703 HB2 ALA B 28 30.035 -0.100 5.170 1.00 0.00 H ATOM 1704 HB3 ALA B 28 29.727 1.635 4.911 1.00 0.00 H ATOM 1705 H ALA B 28 32.386 -0.782 4.498 1.00 0.00 H ATOM 1706 N LEU B 29 31.751 0.385 7.599 1.00 2.00 N ATOM 1707 CA LEU B 29 31.620 0.506 9.063 1.00 2.00 C ATOM 1708 C LEU B 29 32.922 0.988 9.710 1.00 2.00 C ATOM 1709 O LEU B 29 32.878 1.649 10.739 1.00 2.29 O ATOM 1710 CB LEU B 29 31.129 -0.831 9.711 1.00 2.00 C ATOM 1711 CG LEU B 29 29.685 -1.231 9.292 1.00 2.00 C ATOM 1712 CD1 LEU B 29 29.181 -2.629 9.846 1.00 2.00 C ATOM 1713 CD2 LEU B 29 28.718 -0.149 9.684 1.00 2.00 C ATOM 1714 HA LEU B 29 30.859 1.263 9.253 1.00 0.00 H ATOM 1715 HB2 LEU B 29 31.809 -1.629 9.413 1.00 0.00 H ATOM 1716 HB3 LEU B 29 31.155 -0.719 10.795 1.00 0.00 H ATOM 1717 HG LEU B 29 29.726 -1.349 8.209 1.00 0.00 H ATOM 1718 HD21 LEU B 29 28.752 -0.007 10.764 1.00 0.00 H ATOM 1719 HD22 LEU B 29 28.993 0.780 9.185 1.00 0.00 H ATOM 1720 HD23 LEU B 29 27.710 -0.439 9.386 1.00 0.00 H ATOM 1721 HD11 LEU B 29 29.839 -3.420 9.485 1.00 0.00 H ATOM 1722 HD12 LEU B 29 29.194 -2.613 10.936 1.00 0.00 H ATOM 1723 HD13 LEU B 29 28.165 -2.812 9.496 1.00 0.00 H ATOM 1724 H LEU B 29 31.845 -0.567 7.191 1.00 0.00 H ATOM 1725 N GLU B 30 34.077 0.699 9.107 1.00 2.00 N ATOM 1726 CA GLU B 30 35.347 1.163 9.637 1.00 2.00 C ATOM 1727 C GLU B 30 35.400 2.681 9.516 1.00 2.05 C ATOM 1728 O GLU B 30 35.958 3.380 10.336 1.00 2.05 O ATOM 1729 CB GLU B 30 36.514 0.478 8.916 1.00 2.48 C ATOM 1730 CG GLU B 30 36.939 -0.989 9.419 1.00 6.90 C ATOM 1731 CD GLU B 30 37.649 -1.851 8.279 1.00 11.77 C ATOM 1732 OE1 GLU B 30 37.899 -1.252 7.204 1.00 15.32 O ATOM 1733 OE2 GLU B 30 37.981 -3.068 8.428 1.00 8.20 O ATOM 1734 HA GLU B 30 35.438 0.898 10.690 1.00 0.00 H ATOM 1735 HB2 GLU B 30 36.245 0.397 7.863 1.00 0.00 H ATOM 1736 HB3 GLU B 30 37.386 1.124 9.019 1.00 0.00 H ATOM 1737 HG2 GLU B 30 37.628 -0.884 10.257 1.00 0.00 H ATOM 1738 HG3 GLU B 30 36.045 -1.517 9.749 1.00 0.00 H ATOM 1739 H GLU B 30 34.067 0.128 8.238 1.00 0.00 H ATOM 1740 N LYS B 31 34.738 3.239 8.525 1.00 3.57 N ATOM 1741 CA LYS B 31 34.782 4.714 8.374 1.00 3.51 C ATOM 1742 C LYS B 31 33.434 5.499 8.561 1.00 3.05 C ATOM 1743 O LYS B 31 33.537 6.714 8.657 1.00 2.00 O ATOM 1744 CB LYS B 31 35.409 5.031 6.989 1.00 3.32 C ATOM 1745 CG LYS B 31 34.874 4.138 5.839 1.00 5.98 C ATOM 1746 CD LYS B 31 35.813 4.020 4.596 1.00 6.78 C ATOM 1747 CE LYS B 31 37.032 3.099 4.900 1.00 10.56 C ATOM 1748 NZ LYS B 31 37.431 2.066 3.876 1.00 12.74 N ATOM 1749 HA LYS B 31 35.384 5.075 9.208 1.00 0.00 H ATOM 1750 HB2 LYS B 31 35.194 6.071 6.745 1.00 0.00 H ATOM 1751 HB3 LYS B 31 36.488 4.891 7.060 1.00 0.00 H ATOM 1752 HG2 LYS B 31 34.713 3.136 6.237 1.00 0.00 H ATOM 1753 HG3 LYS B 31 33.923 4.552 5.505 1.00 0.00 H ATOM 1754 HD2 LYS B 31 35.249 3.602 3.762 1.00 0.00 H ATOM 1755 HD3 LYS B 31 36.175 5.012 4.327 1.00 0.00 H ATOM 1756 HE2 LYS B 31 36.809 2.566 5.824 1.00 0.00 H ATOM 1757 HE3 LYS B 31 37.894 3.748 5.055 1.00 0.00 H ATOM 1758 HZ1 LYS B 31 36.638 1.412 3.718 1.00 0.00 H ATOM 1759 HZ2 LYS B 31 37.674 2.541 2.983 1.00 0.00 H ATOM 1760 HZ3 LYS B 31 38.255 1.536 4.223 1.00 0.00 H ATOM 1761 H LYS B 31 34.193 2.655 7.859 1.00 0.00 H ATOM 1762 N TYR B 32 32.251 4.828 8.698 1.00 2.55 N ATOM 1763 CA TYR B 32 30.944 5.543 9.021 1.00 2.13 C ATOM 1764 C TYR B 32 30.130 5.018 10.211 1.00 3.47 C ATOM 1765 O TYR B 32 30.014 3.797 10.447 1.00 4.58 O ATOM 1766 CB TYR B 32 29.971 5.593 7.788 1.00 2.00 C ATOM 1767 CG TYR B 32 30.659 6.192 6.609 1.00 2.62 C ATOM 1768 CD1 TYR B 32 31.095 7.520 6.619 1.00 4.13 C ATOM 1769 CD2 TYR B 32 31.012 5.404 5.518 1.00 3.23 C ATOM 1770 CE1 TYR B 32 31.832 8.043 5.529 1.00 5.43 C ATOM 1771 CE2 TYR B 32 31.710 5.897 4.461 1.00 4.26 C ATOM 1772 CZ TYR B 32 32.130 7.203 4.431 1.00 6.45 C ATOM 1773 OH TYR B 32 32.841 7.634 3.280 1.00 2.00 O ATOM 1774 HA TYR B 32 31.314 6.529 9.301 1.00 0.00 H ATOM 1775 HB3 TYR B 32 29.100 6.197 8.041 1.00 0.00 H ATOM 1776 HB2 TYR B 32 29.650 4.581 7.541 1.00 0.00 H ATOM 1777 HD2 TYR B 32 30.718 4.354 5.511 1.00 0.00 H ATOM 1778 HE2 TYR B 32 31.941 5.242 3.621 1.00 0.00 H ATOM 1779 HE1 TYR B 32 32.166 9.081 5.536 1.00 0.00 H ATOM 1780 HD1 TYR B 32 30.866 8.158 7.473 1.00 0.00 H ATOM 1781 HH TYR B 32 33.085 8.588 3.382 1.00 0.00 H ATOM 1782 H TYR B 32 32.242 3.795 8.578 1.00 0.00 H ATOM 1783 N ASN B 33 29.486 5.965 10.896 1.00 4.57 N ATOM 1784 CA ASN B 33 28.617 5.727 12.015 1.00 6.38 C ATOM 1785 C ASN B 33 27.148 5.747 11.662 1.00 5.53 C ATOM 1786 O ASN B 33 26.351 4.990 12.185 1.00 6.44 O ATOM 1787 CB ASN B 33 28.824 6.799 13.119 1.00 7.11 C ATOM 1788 CG ASN B 33 30.068 6.616 13.939 1.00 13.15 C ATOM 1789 OD1 ASN B 33 30.039 5.917 14.948 1.00 21.50 O ATOM 1790 ND2 ASN B 33 31.155 7.331 13.586 1.00 19.84 N ATOM 1791 HA ASN B 33 28.886 4.729 12.361 1.00 0.00 H ATOM 1792 HB2 ASN B 33 28.873 7.777 12.640 1.00 0.00 H ATOM 1793 HB3 ASN B 33 27.966 6.767 13.790 1.00 0.00 H ATOM 1794 HD22 ASN B 33 31.138 7.911 12.723 1.00 0.00 H ATOM 1795 HD21 ASN B 33 32.010 7.303 14.177 1.00 0.00 H ATOM 1796 H ASN B 33 29.624 6.951 10.597 1.00 0.00 H ATOM 1797 N ILE B 34 26.780 6.794 10.920 1.00 5.02 N ATOM 1798 CA ILE B 34 25.417 7.193 10.530 1.00 3.65 C ATOM 1799 C ILE B 34 24.901 6.319 9.436 1.00 3.43 C ATOM 1800 O ILE B 34 25.521 6.240 8.378 1.00 2.99 O ATOM 1801 CB ILE B 34 25.384 8.739 10.126 1.00 3.01 C ATOM 1802 CG1 ILE B 34 25.978 9.539 11.279 1.00 2.22 C ATOM 1803 CG2 ILE B 34 24.049 9.347 9.820 1.00 2.00 C ATOM 1804 CD1 ILE B 34 25.349 9.221 12.680 1.00 2.00 C ATOM 1805 HA ILE B 34 24.754 7.062 11.385 1.00 0.00 H ATOM 1806 HB ILE B 34 25.942 8.782 9.191 1.00 0.00 H ATOM 1807 HG12 ILE B 34 27.046 9.326 11.328 1.00 0.00 H ATOM 1808 HG13 ILE B 34 25.830 10.599 11.071 1.00 0.00 H ATOM 1809 HD11 ILE B 34 24.282 9.441 12.656 1.00 0.00 H ATOM 1810 HD12 ILE B 34 25.499 8.167 12.913 1.00 0.00 H ATOM 1811 HD13 ILE B 34 25.831 9.835 13.441 1.00 0.00 H ATOM 1812 HG21 ILE B 34 23.595 8.820 8.981 1.00 0.00 H ATOM 1813 HG22 ILE B 34 23.404 9.264 10.695 1.00 0.00 H ATOM 1814 HG23 ILE B 34 24.180 10.398 9.562 1.00 0.00 H ATOM 1815 H ILE B 34 27.550 7.402 10.575 1.00 0.00 H ATOM 1816 N GLU B 35 23.806 5.602 9.716 1.00 3.80 N ATOM 1817 CA GLU B 35 23.162 4.607 8.847 1.00 2.71 C ATOM 1818 C GLU B 35 23.040 5.047 7.393 1.00 3.78 C ATOM 1819 O GLU B 35 23.344 4.255 6.521 1.00 6.23 O ATOM 1820 CB GLU B 35 21.770 4.268 9.411 1.00 2.81 C ATOM 1821 CG GLU B 35 21.854 3.494 10.757 1.00 2.92 C ATOM 1822 CD GLU B 35 20.489 3.165 11.368 1.00 5.83 C ATOM 1823 OE1 GLU B 35 19.469 3.823 11.049 1.00 5.20 O ATOM 1824 OE2 GLU B 35 20.438 2.259 12.200 1.00 4.51 O ATOM 1825 HA GLU B 35 23.806 3.728 8.843 1.00 0.00 H ATOM 1826 HB2 GLU B 35 21.221 5.196 9.573 1.00 0.00 H ATOM 1827 HB3 GLU B 35 21.237 3.654 8.685 1.00 0.00 H ATOM 1828 HG2 GLU B 35 22.387 2.559 10.583 1.00 0.00 H ATOM 1829 HG3 GLU B 35 22.412 4.102 11.469 1.00 0.00 H ATOM 1830 H GLU B 35 23.366 5.766 10.644 1.00 0.00 H ATOM 1831 N PRO B 36 22.575 6.289 7.101 1.00 4.39 N ATOM 1832 CA PRO B 36 22.512 6.720 5.669 1.00 2.87 C ATOM 1833 C PRO B 36 23.904 6.985 4.957 1.00 3.21 C ATOM 1834 O PRO B 36 24.054 6.915 3.692 1.00 2.00 O ATOM 1835 CB PRO B 36 21.709 8.010 5.718 1.00 3.18 C ATOM 1836 CG PRO B 36 21.629 8.433 7.164 1.00 2.95 C ATOM 1837 CD PRO B 36 22.017 7.303 8.044 1.00 4.28 C ATOM 1838 HA PRO B 36 22.080 5.917 5.073 1.00 0.00 H ATOM 1839 HD3 PRO B 36 22.770 7.615 8.768 1.00 0.00 H ATOM 1840 HD2 PRO B 36 21.150 6.906 8.572 1.00 0.00 H ATOM 1841 HG3 PRO B 36 20.608 8.738 7.396 1.00 0.00 H ATOM 1842 HG2 PRO B 36 22.304 9.272 7.333 1.00 0.00 H ATOM 1843 HB2 PRO B 36 22.206 8.782 5.130 1.00 0.00 H ATOM 1844 HB3 PRO B 36 20.707 7.842 5.322 1.00 0.00 H ATOM 1845 N ASP B 37 24.927 7.303 5.767 1.00 2.96 N ATOM 1846 CA ASP B 37 26.310 7.462 5.246 1.00 2.02 C ATOM 1847 C ASP B 37 26.889 6.083 4.903 1.00 2.62 C ATOM 1848 O ASP B 37 27.603 5.975 3.918 1.00 3.05 O ATOM 1849 CB ASP B 37 27.198 8.226 6.221 1.00 2.00 C ATOM 1850 CG ASP B 37 26.625 9.618 6.604 1.00 2.00 C ATOM 1851 OD1 ASP B 37 25.663 10.086 5.968 1.00 2.00 O ATOM 1852 OD2 ASP B 37 27.129 10.261 7.566 1.00 2.00 O ATOM 1853 HA ASP B 37 26.275 8.061 4.336 1.00 0.00 H ATOM 1854 HB2 ASP B 37 27.307 7.633 7.129 1.00 0.00 H ATOM 1855 HB3 ASP B 37 28.176 8.368 5.762 1.00 0.00 H ATOM 1856 H ASP B 37 24.747 7.441 6.782 1.00 0.00 H ATOM 1857 N ILE B 38 26.554 5.052 5.689 1.00 2.89 N ATOM 1858 CA ILE B 38 27.002 3.682 5.475 1.00 3.97 C ATOM 1859 C ILE B 38 26.414 3.172 4.200 1.00 4.93 C ATOM 1860 O ILE B 38 27.104 2.657 3.339 1.00 6.68 O ATOM 1861 CB ILE B 38 26.627 2.734 6.689 1.00 4.74 C ATOM 1862 CG1 ILE B 38 27.463 2.985 7.934 1.00 2.00 C ATOM 1863 CG2 ILE B 38 26.759 1.227 6.375 1.00 6.27 C ATOM 1864 CD1 ILE B 38 26.658 3.065 9.073 1.00 2.37 C ATOM 1865 HA ILE B 38 28.090 3.681 5.406 1.00 0.00 H ATOM 1866 HB ILE B 38 25.582 2.988 6.869 1.00 0.00 H ATOM 1867 HG12 ILE B 38 28.174 2.168 8.057 1.00 0.00 H ATOM 1868 HG13 ILE B 38 28.006 3.922 7.815 1.00 0.00 H ATOM 1869 HD11 ILE B 38 25.948 3.884 8.958 1.00 0.00 H ATOM 1870 HD12 ILE B 38 26.116 2.128 9.200 1.00 0.00 H ATOM 1871 HD13 ILE B 38 27.284 3.245 9.947 1.00 0.00 H ATOM 1872 HG21 ILE B 38 26.096 0.970 5.549 1.00 0.00 H ATOM 1873 HG22 ILE B 38 27.789 1.004 6.099 1.00 0.00 H ATOM 1874 HG23 ILE B 38 26.484 0.648 7.257 1.00 0.00 H ATOM 1875 H ILE B 38 25.935 5.241 6.503 1.00 0.00 H ATOM 1876 N ALA B 39 25.111 3.370 4.064 1.00 5.35 N ATOM 1877 CA ALA B 39 24.316 2.883 2.932 1.00 3.62 C ATOM 1878 C ALA B 39 24.821 3.417 1.584 1.00 3.03 C ATOM 1879 O ALA B 39 24.945 2.688 0.620 1.00 3.14 O ATOM 1880 CB ALA B 39 22.835 3.224 3.177 1.00 2.82 C ATOM 1881 HA ALA B 39 24.425 1.800 2.868 1.00 0.00 H ATOM 1882 HB1 ALA B 39 22.500 2.743 4.096 1.00 0.00 H ATOM 1883 HB2 ALA B 39 22.723 4.304 3.268 1.00 0.00 H ATOM 1884 HB3 ALA B 39 22.237 2.865 2.339 1.00 0.00 H ATOM 1885 H ALA B 39 24.620 3.906 4.808 1.00 0.00 H ATOM 1886 N ALA B 40 25.118 4.700 1.557 1.00 4.74 N ATOM 1887 CA ALA B 40 25.529 5.457 0.377 1.00 4.68 C ATOM 1888 C ALA B 40 26.909 5.092 -0.068 1.00 5.26 C ATOM 1889 O ALA B 40 27.232 5.019 -1.278 1.00 8.57 O ATOM 1890 CB ALA B 40 25.451 6.953 0.700 1.00 3.10 C ATOM 1891 HA ALA B 40 24.856 5.213 -0.445 1.00 0.00 H ATOM 1892 HB1 ALA B 40 24.427 7.213 0.969 1.00 0.00 H ATOM 1893 HB2 ALA B 40 26.115 7.178 1.535 1.00 0.00 H ATOM 1894 HB3 ALA B 40 25.756 7.528 -0.174 1.00 0.00 H ATOM 1895 H ALA B 40 25.054 5.220 2.455 1.00 0.00 H ATOM 1896 N TYR B 41 27.777 4.903 0.905 1.00 4.90 N ATOM 1897 CA TYR B 41 29.137 4.424 0.624 1.00 3.67 C ATOM 1898 C TYR B 41 29.063 3.125 -0.152 1.00 2.56 C ATOM 1899 O TYR B 41 29.538 3.076 -1.252 1.00 2.89 O ATOM 1900 CB TYR B 41 29.993 4.273 1.925 1.00 2.64 C ATOM 1901 CG TYR B 41 31.345 3.599 1.600 1.00 4.25 C ATOM 1902 CD1 TYR B 41 32.493 4.362 1.352 1.00 2.00 C ATOM 1903 CD2 TYR B 41 31.440 2.173 1.479 1.00 2.00 C ATOM 1904 CE1 TYR B 41 33.714 3.750 1.016 1.00 2.01 C ATOM 1905 CE2 TYR B 41 32.622 1.564 1.182 1.00 2.00 C ATOM 1906 CZ TYR B 41 33.770 2.365 0.935 1.00 3.71 C ATOM 1907 OH TYR B 41 34.945 1.783 0.574 1.00 2.00 O ATOM 1908 HA TYR B 41 29.646 5.172 0.016 1.00 0.00 H ATOM 1909 HB3 TYR B 41 29.449 3.661 2.645 1.00 0.00 H ATOM 1910 HB2 TYR B 41 30.176 5.259 2.353 1.00 0.00 H ATOM 1911 HD2 TYR B 41 30.548 1.564 1.628 1.00 0.00 H ATOM 1912 HE2 TYR B 41 32.686 0.477 1.134 1.00 0.00 H ATOM 1913 HE1 TYR B 41 34.601 4.353 0.822 1.00 0.00 H ATOM 1914 HD1 TYR B 41 32.439 5.449 1.421 1.00 0.00 H ATOM 1915 HH TYR B 41 35.632 2.483 0.443 1.00 0.00 H ATOM 1916 H TYR B 41 27.495 5.096 1.887 1.00 0.00 H ATOM 1917 N ILE B 42 28.435 2.095 0.414 1.00 3.25 N ATOM 1918 CA ILE B 42 28.127 0.789 -0.256 1.00 2.59 C ATOM 1919 C ILE B 42 27.399 0.836 -1.635 1.00 4.20 C ATOM 1920 O ILE B 42 27.820 0.210 -2.630 1.00 5.22 O ATOM 1921 CB ILE B 42 27.288 -0.108 0.702 1.00 3.17 C ATOM 1922 CG1 ILE B 42 27.946 -0.209 2.086 1.00 2.00 C ATOM 1923 CG2 ILE B 42 26.899 -1.582 0.038 1.00 2.00 C ATOM 1924 CD1 ILE B 42 27.104 -1.068 3.094 1.00 2.00 C ATOM 1925 HA ILE B 42 29.116 0.387 -0.476 1.00 0.00 H ATOM 1926 HB ILE B 42 26.327 0.385 0.850 1.00 0.00 H ATOM 1927 HG12 ILE B 42 28.929 -0.667 1.973 1.00 0.00 H ATOM 1928 HG13 ILE B 42 28.059 0.796 2.493 1.00 0.00 H ATOM 1929 HD11 ILE B 42 26.121 -0.615 3.223 1.00 0.00 H ATOM 1930 HD12 ILE B 42 26.991 -2.079 2.702 1.00 0.00 H ATOM 1931 HD13 ILE B 42 27.617 -1.105 4.055 1.00 0.00 H ATOM 1932 HG21 ILE B 42 26.314 -1.428 -0.869 1.00 0.00 H ATOM 1933 HG22 ILE B 42 27.814 -2.122 -0.206 1.00 0.00 H ATOM 1934 HG23 ILE B 42 26.315 -2.159 0.755 1.00 0.00 H ATOM 1935 H ILE B 42 28.133 2.206 1.403 1.00 0.00 H ATOM 1936 N LYS B 43 26.260 1.533 -1.679 1.00 4.17 N ATOM 1937 CA LYS B 43 25.525 1.781 -2.909 1.00 3.16 C ATOM 1938 C LYS B 43 26.423 2.330 -4.050 1.00 4.05 C ATOM 1939 O LYS B 43 26.409 1.812 -5.190 1.00 3.78 O ATOM 1940 CB LYS B 43 24.375 2.747 -2.620 1.00 2.21 C ATOM 1941 CG LYS B 43 23.548 3.017 -3.807 1.00 2.09 C ATOM 1942 CD LYS B 43 24.107 4.156 -4.639 1.00 2.00 C ATOM 1943 CE LYS B 43 23.022 4.940 -5.355 1.00 3.18 C ATOM 1944 NZ LYS B 43 22.448 4.200 -6.582 1.00 6.98 N ATOM 1945 HA LYS B 43 25.136 0.826 -3.261 1.00 0.00 H ATOM 1946 HB2 LYS B 43 23.742 2.314 -1.845 1.00 0.00 H ATOM 1947 HB3 LYS B 43 24.792 3.689 -2.263 1.00 0.00 H ATOM 1948 HG2 LYS B 43 23.509 2.118 -4.422 1.00 0.00 H ATOM 1949 HG3 LYS B 43 22.541 3.278 -3.483 1.00 0.00 H ATOM 1950 HD2 LYS B 43 24.653 4.834 -3.983 1.00 0.00 H ATOM 1951 HD3 LYS B 43 24.789 3.744 -5.382 1.00 0.00 H ATOM 1952 HE2 LYS B 43 23.442 5.889 -5.687 1.00 0.00 H ATOM 1953 HE3 LYS B 43 22.210 5.129 -4.653 1.00 0.00 H ATOM 1954 HZ1 LYS B 43 23.211 4.021 -7.266 1.00 0.00 H ATOM 1955 HZ2 LYS B 43 22.035 3.296 -6.278 1.00 0.00 H ATOM 1956 HZ3 LYS B 43 21.713 4.786 -7.026 1.00 0.00 H ATOM 1957 H LYS B 43 25.880 1.917 -0.790 1.00 0.00 H ATOM 1958 N LYS B 44 27.184 3.393 -3.764 1.00 4.08 N ATOM 1959 CA LYS B 44 28.075 3.989 -4.743 1.00 4.12 C ATOM 1960 C LYS B 44 29.263 3.074 -5.166 1.00 3.26 C ATOM 1961 O LYS B 44 29.761 3.129 -6.308 1.00 3.19 O ATOM 1962 CB LYS B 44 28.621 5.310 -4.192 1.00 5.20 C ATOM 1963 CG LYS B 44 27.633 6.416 -4.240 1.00 7.19 C ATOM 1964 CD LYS B 44 28.051 7.524 -3.227 1.00 13.99 C ATOM 1965 CE LYS B 44 26.799 8.437 -2.899 1.00 16.07 C ATOM 1966 NZ LYS B 44 27.068 9.883 -3.134 1.00 13.78 N ATOM 1967 HA LYS B 44 27.480 4.149 -5.642 1.00 0.00 H ATOM 1968 HB2 LYS B 44 28.919 5.156 -3.155 1.00 0.00 H ATOM 1969 HB3 LYS B 44 29.492 5.598 -4.781 1.00 0.00 H ATOM 1970 HG2 LYS B 44 27.603 6.834 -5.246 1.00 0.00 H ATOM 1971 HG3 LYS B 44 26.646 6.035 -3.977 1.00 0.00 H ATOM 1972 HD2 LYS B 44 28.414 7.060 -2.310 1.00 0.00 H ATOM 1973 HD3 LYS B 44 28.843 8.134 -3.661 1.00 0.00 H ATOM 1974 HE2 LYS B 44 26.529 8.297 -1.852 1.00 0.00 H ATOM 1975 HE3 LYS B 44 25.967 8.129 -3.532 1.00 0.00 H ATOM 1976 HZ1 LYS B 44 27.856 10.191 -2.529 1.00 0.00 H ATOM 1977 HZ2 LYS B 44 27.319 10.030 -4.133 1.00 0.00 H ATOM 1978 HZ3 LYS B 44 26.217 10.435 -2.904 1.00 0.00 H ATOM 1979 H LYS B 44 27.136 3.805 -2.810 1.00 0.00 H ATOM 1980 N GLU B 45 29.716 2.220 -4.264 1.00 2.69 N ATOM 1981 CA GLU B 45 30.754 1.285 -4.626 1.00 2.88 C ATOM 1982 C GLU B 45 30.214 0.260 -5.592 1.00 2.77 C ATOM 1983 O GLU B 45 30.841 -0.075 -6.600 1.00 2.00 O ATOM 1984 CB GLU B 45 31.285 0.567 -3.402 1.00 3.12 C ATOM 1985 CG GLU B 45 32.144 1.485 -2.571 1.00 10.61 C ATOM 1986 CD GLU B 45 33.412 1.945 -3.297 1.00 15.72 C ATOM 1987 OE1 GLU B 45 34.084 2.856 -2.790 1.00 17.86 O ATOM 1988 OE2 GLU B 45 33.740 1.418 -4.390 1.00 19.97 O ATOM 1989 HA GLU B 45 31.563 1.848 -5.092 1.00 0.00 H ATOM 1990 HB2 GLU B 45 30.446 0.220 -2.799 1.00 0.00 H ATOM 1991 HB3 GLU B 45 31.880 -0.289 -3.720 1.00 0.00 H ATOM 1992 HG2 GLU B 45 31.557 2.365 -2.307 1.00 0.00 H ATOM 1993 HG3 GLU B 45 32.436 0.959 -1.662 1.00 0.00 H ATOM 1994 H GLU B 45 29.327 2.222 -3.300 1.00 0.00 H ATOM 1995 N PHE B 46 29.016 -0.244 -5.306 1.00 4.40 N ATOM 1996 CA PHE B 46 28.445 -1.274 -6.221 1.00 3.83 C ATOM 1997 C PHE B 46 28.079 -0.681 -7.590 1.00 3.57 C ATOM 1998 O PHE B 46 28.380 -1.291 -8.610 1.00 3.76 O ATOM 1999 CB PHE B 46 27.262 -1.960 -5.533 1.00 3.64 C ATOM 2000 CG PHE B 46 27.684 -3.202 -4.806 1.00 4.46 C ATOM 2001 CD1 PHE B 46 28.603 -3.116 -3.755 1.00 2.00 C ATOM 2002 CD2 PHE B 46 27.258 -4.477 -5.247 1.00 7.73 C ATOM 2003 CE1 PHE B 46 29.089 -4.277 -3.107 1.00 2.83 C ATOM 2004 CE2 PHE B 46 27.700 -5.672 -4.585 1.00 7.02 C ATOM 2005 CZ PHE B 46 28.635 -5.579 -3.528 1.00 5.27 C ATOM 2006 HA PHE B 46 29.202 -2.031 -6.428 1.00 0.00 H ATOM 2007 HB2 PHE B 46 26.818 -1.266 -4.819 1.00 0.00 H ATOM 2008 HB3 PHE B 46 26.521 -2.227 -6.287 1.00 0.00 H ATOM 2009 HD2 PHE B 46 26.585 -4.553 -6.101 1.00 0.00 H ATOM 2010 HE2 PHE B 46 27.317 -6.644 -4.895 1.00 0.00 H ATOM 2011 HZ PHE B 46 29.007 -6.479 -3.039 1.00 0.00 H ATOM 2012 HE1 PHE B 46 29.806 -4.187 -2.291 1.00 0.00 H ATOM 2013 HD1 PHE B 46 28.952 -2.136 -3.429 1.00 0.00 H ATOM 2014 H PHE B 46 28.491 0.072 -4.466 1.00 0.00 H ATOM 2015 N ASP B 47 27.527 0.502 -7.653 1.00 3.37 N ATOM 2016 CA ASP B 47 27.445 1.212 -8.906 1.00 4.09 C ATOM 2017 C ASP B 47 28.661 1.330 -9.683 1.00 3.82 C ATOM 2018 O ASP B 47 28.605 1.092 -10.815 1.00 4.04 O ATOM 2019 CB ASP B 47 26.855 2.598 -8.834 1.00 3.02 C ATOM 2020 CG ASP B 47 25.411 2.636 -8.590 1.00 4.99 C ATOM 2021 OD1 ASP B 47 24.647 1.739 -8.901 1.00 10.20 O ATOM 2022 OD2 ASP B 47 25.055 3.638 -8.077 1.00 4.10 O ATOM 2023 HA ASP B 47 26.766 0.529 -9.416 1.00 0.00 H ATOM 2024 HB2 ASP B 47 27.351 3.137 -8.026 1.00 0.00 H ATOM 2025 HB3 ASP B 47 27.053 3.101 -9.780 1.00 0.00 H ATOM 2026 H ASP B 47 27.142 0.936 -6.790 1.00 0.00 H ATOM 2027 N LYS B 48 29.743 1.748 -9.053 1.00 5.34 N ATOM 2028 CA LYS B 48 31.119 1.671 -9.607 1.00 6.39 C ATOM 2029 C LYS B 48 31.568 0.289 -10.078 1.00 5.84 C ATOM 2030 O LYS B 48 31.985 0.142 -11.163 1.00 5.89 O ATOM 2031 CB LYS B 48 32.170 2.186 -8.565 1.00 7.41 C ATOM 2032 CG LYS B 48 32.951 3.483 -8.896 1.00 9.62 C ATOM 2033 CD LYS B 48 33.422 4.228 -7.610 1.00 15.42 C ATOM 2034 CE LYS B 48 34.953 4.259 -7.438 1.00 12.96 C ATOM 2035 NZ LYS B 48 35.628 4.408 -8.787 1.00 15.44 N ATOM 2036 HA LYS B 48 31.073 2.306 -10.491 1.00 0.00 H ATOM 2037 HB2 LYS B 48 31.640 2.357 -7.628 1.00 0.00 H ATOM 2038 HB3 LYS B 48 32.904 1.392 -8.426 1.00 0.00 H ATOM 2039 HG2 LYS B 48 33.826 3.224 -9.493 1.00 0.00 H ATOM 2040 HG3 LYS B 48 32.304 4.146 -9.470 1.00 0.00 H ATOM 2041 HD2 LYS B 48 33.060 5.255 -7.655 1.00 0.00 H ATOM 2042 HD3 LYS B 48 32.988 3.728 -6.744 1.00 0.00 H ATOM 2043 HE2 LYS B 48 35.282 3.331 -6.971 1.00 0.00 H ATOM 2044 HE3 LYS B 48 35.227 5.101 -6.803 1.00 0.00 H ATOM 2045 HZ1 LYS B 48 35.369 3.604 -9.394 1.00 0.00 H ATOM 2046 HZ2 LYS B 48 35.317 5.294 -9.233 1.00 0.00 H ATOM 2047 HZ3 LYS B 48 36.660 4.428 -8.657 1.00 0.00 H ATOM 2048 H LYS B 48 29.624 2.159 -8.105 1.00 0.00 H ATOM 2049 N LYS B 49 31.494 -0.707 -9.218 1.00 6.16 N ATOM 2050 CA LYS B 49 32.031 -2.016 -9.468 1.00 7.10 C ATOM 2051 C LYS B 49 31.147 -2.759 -10.434 1.00 7.23 C ATOM 2052 O LYS B 49 31.655 -3.268 -11.449 1.00 8.18 O ATOM 2053 CB LYS B 49 32.130 -2.779 -8.153 1.00 7.07 C ATOM 2054 CG LYS B 49 33.040 -3.942 -8.140 1.00 13.03 C ATOM 2055 CD LYS B 49 33.690 -4.106 -6.756 1.00 20.49 C ATOM 2056 CE LYS B 49 34.969 -3.265 -6.693 1.00 27.07 C ATOM 2057 NZ LYS B 49 35.967 -3.657 -5.622 1.00 31.19 N ATOM 2058 HA LYS B 49 33.025 -1.924 -9.907 1.00 0.00 H ATOM 2059 HB2 LYS B 49 32.471 -2.081 -7.388 1.00 0.00 H ATOM 2060 HB3 LYS B 49 31.132 -3.135 -7.899 1.00 0.00 H ATOM 2061 HG2 LYS B 49 32.474 -4.842 -8.379 1.00 0.00 H ATOM 2062 HG3 LYS B 49 33.820 -3.795 -8.887 1.00 0.00 H ATOM 2063 HD2 LYS B 49 32.996 -3.771 -5.986 1.00 0.00 H ATOM 2064 HD3 LYS B 49 33.935 -5.155 -6.591 1.00 0.00 H ATOM 2065 HE2 LYS B 49 34.679 -2.229 -6.517 1.00 0.00 H ATOM 2066 HE3 LYS B 49 35.468 -3.342 -7.659 1.00 0.00 H ATOM 2067 HZ1 LYS B 49 35.520 -3.576 -4.687 1.00 0.00 H ATOM 2068 HZ2 LYS B 49 36.273 -4.639 -5.777 1.00 0.00 H ATOM 2069 HZ3 LYS B 49 36.791 -3.025 -5.670 1.00 0.00 H ATOM 2070 H LYS B 49 31.021 -0.536 -8.308 1.00 0.00 H ATOM 2071 N TYR B 50 29.845 -2.832 -10.132 1.00 6.46 N ATOM 2072 CA TYR B 50 28.891 -3.642 -10.899 1.00 6.47 C ATOM 2073 C TYR B 50 27.822 -2.812 -11.695 1.00 6.08 C ATOM 2074 O TYR B 50 26.750 -3.290 -12.071 1.00 3.87 O ATOM 2075 CB TYR B 50 28.190 -4.628 -9.967 1.00 5.68 C ATOM 2076 CG TYR B 50 29.146 -5.509 -9.138 1.00 9.49 C ATOM 2077 CD1 TYR B 50 29.466 -5.195 -7.809 1.00 9.46 C ATOM 2078 CD2 TYR B 50 29.733 -6.682 -9.689 1.00 13.53 C ATOM 2079 CE1 TYR B 50 30.353 -6.014 -7.026 1.00 8.27 C ATOM 2080 CE2 TYR B 50 30.614 -7.525 -8.913 1.00 14.48 C ATOM 2081 CZ TYR B 50 30.897 -7.190 -7.582 1.00 14.47 C ATOM 2082 OH TYR B 50 31.778 -8.019 -6.865 1.00 13.95 O ATOM 2083 HA TYR B 50 29.480 -4.165 -11.652 1.00 0.00 H ATOM 2084 HB3 TYR B 50 27.562 -5.282 -10.572 1.00 0.00 H ATOM 2085 HB2 TYR B 50 27.565 -4.061 -9.278 1.00 0.00 H ATOM 2086 HD2 TYR B 50 29.513 -6.952 -10.722 1.00 0.00 H ATOM 2087 HE2 TYR B 50 31.055 -8.416 -9.360 1.00 0.00 H ATOM 2088 HE1 TYR B 50 30.604 -5.726 -6.005 1.00 0.00 H ATOM 2089 HD1 TYR B 50 29.030 -4.305 -7.356 1.00 0.00 H ATOM 2090 HH TYR B 50 31.886 -7.667 -5.946 1.00 0.00 H ATOM 2091 H TYR B 50 29.493 -2.290 -9.317 1.00 0.00 H ATOM 2092 N ASN B 51 28.141 -1.571 -12.017 1.00 6.47 N ATOM 2093 CA ASN B 51 27.144 -0.739 -12.714 1.00 5.73 C ATOM 2094 C ASN B 51 25.835 -0.505 -11.950 1.00 6.07 C ATOM 2095 O ASN B 51 25.405 -1.338 -11.075 1.00 6.27 O ATOM 2096 CB ASN B 51 26.775 -1.374 -14.011 1.00 5.87 C ATOM 2097 CG ASN B 51 27.997 -1.723 -14.821 1.00 5.85 C ATOM 2098 OD1 ASN B 51 29.081 -1.219 -14.516 1.00 9.86 O ATOM 2099 ND2 ASN B 51 27.844 -2.564 -15.833 1.00 2.00 N ATOM 2100 HA ASN B 51 27.634 0.228 -12.830 1.00 0.00 H ATOM 2101 HB2 ASN B 51 26.209 -2.284 -13.812 1.00 0.00 H ATOM 2102 HB3 ASN B 51 26.157 -0.681 -14.582 1.00 0.00 H ATOM 2103 HD22 ASN B 51 26.905 -2.958 -16.044 1.00 0.00 H ATOM 2104 HD21 ASN B 51 28.663 -2.830 -16.416 1.00 0.00 H ATOM 2105 H ASN B 51 29.079 -1.188 -11.783 1.00 0.00 H ATOM 2106 N PRO B 52 25.181 0.620 -12.302 1.00 4.39 N ATOM 2107 CA PRO B 52 23.961 1.057 -11.717 1.00 2.95 C ATOM 2108 C PRO B 52 22.875 0.099 -12.154 1.00 3.05 C ATOM 2109 O PRO B 52 23.068 -0.590 -13.130 1.00 3.13 O ATOM 2110 CB PRO B 52 23.762 2.464 -12.327 1.00 3.85 C ATOM 2111 CG PRO B 52 25.025 2.783 -13.040 1.00 2.41 C ATOM 2112 CD PRO B 52 25.669 1.506 -13.385 1.00 2.98 C ATOM 2113 HA PRO B 52 23.950 1.088 -10.627 1.00 0.00 H ATOM 2114 HD3 PRO B 52 25.348 1.151 -14.364 1.00 0.00 H ATOM 2115 HD2 PRO B 52 26.756 1.592 -13.369 1.00 0.00 H ATOM 2116 HG3 PRO B 52 25.680 3.369 -12.395 1.00 0.00 H ATOM 2117 HG2 PRO B 52 24.809 3.349 -13.946 1.00 0.00 H ATOM 2118 HB2 PRO B 52 22.924 2.460 -13.024 1.00 0.00 H ATOM 2119 HB3 PRO B 52 23.576 3.195 -11.541 1.00 0.00 H ATOM 2120 N THR B 53 21.717 0.074 -11.479 1.00 2.53 N ATOM 2121 CA THR B 53 21.474 0.950 -10.343 1.00 2.29 C ATOM 2122 C THR B 53 21.164 0.179 -9.065 1.00 2.80 C ATOM 2123 O THR B 53 20.221 -0.654 -8.992 1.00 2.46 O ATOM 2124 CB THR B 53 20.287 1.911 -10.563 1.00 3.63 C ATOM 2125 OG1 THR B 53 20.441 2.645 -11.774 1.00 2.95 O ATOM 2126 CG2 THR B 53 20.184 2.902 -9.385 1.00 2.22 C ATOM 2127 HA THR B 53 22.404 1.510 -10.245 1.00 0.00 H ATOM 2128 HB THR B 53 19.379 1.312 -10.626 1.00 0.00 H ATOM 2129 HG1 THR B 53 20.486 2.015 -12.537 1.00 0.00 H ATOM 2130 HG23 THR B 53 20.066 2.347 -8.454 1.00 0.00 H ATOM 2131 HG21 THR B 53 21.091 3.504 -9.338 1.00 0.00 H ATOM 2132 HG22 THR B 53 19.322 3.553 -9.533 1.00 0.00 H ATOM 2133 H THR B 53 20.973 -0.589 -11.775 1.00 0.00 H ATOM 2134 N TRP B 54 21.990 0.440 -8.059 1.00 2.87 N ATOM 2135 CA TRP B 54 21.803 -0.199 -6.722 1.00 2.51 C ATOM 2136 C TRP B 54 21.066 0.680 -5.654 1.00 2.20 C ATOM 2137 O TRP B 54 20.962 1.940 -5.753 1.00 2.00 O ATOM 2138 CB TRP B 54 23.174 -0.694 -6.183 1.00 2.00 C ATOM 2139 CG TRP B 54 23.842 -1.730 -7.058 1.00 2.01 C ATOM 2140 CD1 TRP B 54 24.604 -1.511 -8.225 1.00 2.00 C ATOM 2141 CD2 TRP B 54 23.835 -3.168 -6.862 1.00 3.56 C ATOM 2142 NE1 TRP B 54 25.074 -2.721 -8.723 1.00 2.00 N ATOM 2143 CE2 TRP B 54 24.633 -3.745 -7.909 1.00 2.03 C ATOM 2144 CE3 TRP B 54 23.251 -4.025 -5.893 1.00 2.00 C ATOM 2145 CZ2 TRP B 54 24.822 -5.146 -8.022 1.00 4.25 C ATOM 2146 CZ3 TRP B 54 23.494 -5.424 -5.978 1.00 2.00 C ATOM 2147 CH2 TRP B 54 24.256 -5.963 -7.034 1.00 3.41 C ATOM 2148 HA TRP B 54 21.129 -1.039 -6.889 1.00 0.00 H ATOM 2149 HB2 TRP B 54 23.840 0.165 -6.099 1.00 0.00 H ATOM 2150 HB3 TRP B 54 23.018 -1.128 -5.196 1.00 0.00 H ATOM 2151 HE1 TRP B 54 25.663 -2.836 -9.572 1.00 0.00 H ATOM 2152 HD1 TRP B 54 24.796 -0.535 -8.671 1.00 0.00 H ATOM 2153 HZ2 TRP B 54 25.388 -5.573 -8.850 1.00 0.00 H ATOM 2154 HH2 TRP B 54 24.409 -7.041 -7.083 1.00 0.00 H ATOM 2155 HZ3 TRP B 54 23.085 -6.088 -5.216 1.00 0.00 H ATOM 2156 HE3 TRP B 54 22.627 -3.618 -5.097 1.00 0.00 H ATOM 2157 H TRP B 54 22.780 1.100 -8.204 1.00 0.00 H ATOM 2158 N HIS B 55 20.564 -0.011 -4.637 1.00 2.43 N ATOM 2159 CA HIS B 55 19.893 0.601 -3.486 1.00 2.41 C ATOM 2160 C HIS B 55 20.357 -0.144 -2.269 1.00 2.49 C ATOM 2161 O HIS B 55 20.502 -1.405 -2.293 1.00 2.40 O ATOM 2162 CB HIS B 55 18.341 0.608 -3.636 1.00 2.00 C ATOM 2163 CG HIS B 55 17.892 0.936 -5.037 1.00 3.31 C ATOM 2164 ND1 HIS B 55 17.575 2.204 -5.496 1.00 4.37 N ATOM 2165 CD2 HIS B 55 17.745 0.108 -6.091 1.00 2.00 C ATOM 2166 CE1 HIS B 55 17.243 2.114 -6.779 1.00 3.26 C ATOM 2167 NE2 HIS B 55 17.363 0.855 -7.160 1.00 2.00 N ATOM 2168 HA HIS B 55 20.158 1.655 -3.405 1.00 0.00 H ATOM 2169 HB2 HIS B 55 17.960 -0.378 -3.370 1.00 0.00 H ATOM 2170 HB3 HIS B 55 17.928 1.352 -2.954 1.00 0.00 H ATOM 2171 HD2 HIS B 55 17.904 -0.970 -6.086 1.00 0.00 H ATOM 2172 HE1 HIS B 55 16.924 2.942 -7.412 1.00 0.00 H ATOM 2173 H HIS B 55 20.652 -1.047 -4.658 1.00 0.00 H ATOM 2174 N CYS B 56 20.607 0.627 -1.212 1.00 2.28 N ATOM 2175 CA CYS B 56 21.061 0.040 0.023 1.00 2.00 C ATOM 2176 C CYS B 56 20.366 0.610 1.240 1.00 2.39 C ATOM 2177 O CYS B 56 20.295 1.835 1.407 1.00 2.00 O ATOM 2178 CB CYS B 56 22.582 0.266 0.153 1.00 3.48 C ATOM 2179 SG CYS B 56 23.386 -0.466 1.590 1.00 2.14 S ATOM 2180 HA CYS B 56 20.820 -1.022 -0.013 1.00 0.00 H ATOM 2181 HB2 CYS B 56 22.755 1.342 0.189 1.00 0.00 H ATOM 2182 HB3 CYS B 56 23.055 -0.147 -0.738 1.00 0.00 H ATOM 2183 HG CYS B 56 24.735 -0.175 1.559 1.00 0.00 H ATOM 2184 H CYS B 56 20.474 1.656 -1.278 1.00 0.00 H ATOM 2185 N ILE B 57 19.851 -0.294 2.092 1.00 2.09 N ATOM 2186 CA ILE B 57 19.271 0.124 3.387 1.00 2.37 C ATOM 2187 C ILE B 57 20.157 -0.327 4.585 1.00 2.00 C ATOM 2188 O ILE B 57 20.460 -1.490 4.690 1.00 2.16 O ATOM 2189 CB ILE B 57 17.828 -0.378 3.544 1.00 2.00 C ATOM 2190 CG1 ILE B 57 16.857 0.205 2.438 1.00 8.22 C ATOM 2191 CG2 ILE B 57 17.299 0.018 4.832 1.00 2.00 C ATOM 2192 CD1 ILE B 57 17.197 0.077 0.876 1.00 3.80 C ATOM 2193 HA ILE B 57 19.245 1.214 3.391 1.00 0.00 H ATOM 2194 HB ILE B 57 17.872 -1.463 3.445 1.00 0.00 H ATOM 2195 HG12 ILE B 57 15.894 -0.284 2.585 1.00 0.00 H ATOM 2196 HG13 ILE B 57 16.758 1.270 2.646 1.00 0.00 H ATOM 2197 HD11 ILE B 57 18.142 0.579 0.669 1.00 0.00 H ATOM 2198 HD12 ILE B 57 17.277 -0.977 0.608 1.00 0.00 H ATOM 2199 HD13 ILE B 57 16.402 0.542 0.293 1.00 0.00 H ATOM 2200 HG21 ILE B 57 17.915 -0.410 5.623 1.00 0.00 H ATOM 2201 HG22 ILE B 57 17.310 1.105 4.909 1.00 0.00 H ATOM 2202 HG23 ILE B 57 16.276 -0.344 4.930 1.00 0.00 H ATOM 2203 H ILE B 57 19.861 -1.302 1.837 1.00 0.00 H ATOM 2204 N VAL B 58 20.497 0.577 5.489 1.00 2.00 N ATOM 2205 CA VAL B 58 21.252 0.224 6.696 1.00 2.00 C ATOM 2206 C VAL B 58 20.447 0.557 7.956 1.00 2.00 C ATOM 2207 O VAL B 58 20.025 1.649 8.167 1.00 2.88 O ATOM 2208 CB VAL B 58 22.634 0.924 6.681 1.00 2.00 C ATOM 2209 CG1 VAL B 58 23.401 0.609 7.926 1.00 2.30 C ATOM 2210 CG2 VAL B 58 23.410 0.461 5.483 1.00 2.00 C ATOM 2211 HA VAL B 58 21.427 -0.852 6.708 1.00 0.00 H ATOM 2212 HB VAL B 58 22.481 2.002 6.633 1.00 0.00 H ATOM 2213 HG11 VAL B 58 22.840 0.955 8.794 1.00 0.00 H ATOM 2214 HG12 VAL B 58 23.552 -0.468 7.995 1.00 0.00 H ATOM 2215 HG13 VAL B 58 24.368 1.111 7.893 1.00 0.00 H ATOM 2216 HG21 VAL B 58 23.547 -0.619 5.536 1.00 0.00 H ATOM 2217 HG22 VAL B 58 22.861 0.715 4.576 1.00 0.00 H ATOM 2218 HG23 VAL B 58 24.383 0.952 5.470 1.00 0.00 H ATOM 2219 H VAL B 58 20.221 1.568 5.339 1.00 0.00 H ATOM 2220 N GLY B 59 20.170 -0.424 8.775 1.00 3.42 N ATOM 2221 CA GLY B 59 19.164 -0.241 9.840 1.00 3.05 C ATOM 2222 C GLY B 59 19.241 -1.307 10.899 1.00 2.44 C ATOM 2223 O GLY B 59 19.816 -2.324 10.674 1.00 2.00 O ATOM 2224 HA3 GLY B 59 18.171 -0.266 9.391 1.00 0.00 H ATOM 2225 HA2 GLY B 59 19.325 0.730 10.309 1.00 0.00 H ATOM 2226 H GLY B 59 20.660 -1.336 8.676 1.00 0.00 H ATOM 2227 N ARG B 60 18.718 -0.985 12.082 1.00 3.63 N ATOM 2228 CA ARG B 60 18.702 -1.862 13.248 1.00 4.38 C ATOM 2229 C ARG B 60 17.308 -2.420 13.376 1.00 3.97 C ATOM 2230 O ARG B 60 17.110 -3.482 13.967 1.00 4.19 O ATOM 2231 CB ARG B 60 19.081 -1.163 14.545 1.00 2.11 C ATOM 2232 CG ARG B 60 20.386 -0.588 14.386 1.00 4.63 C ATOM 2233 CD ARG B 60 20.846 0.103 15.659 1.00 9.62 C ATOM 2234 NE ARG B 60 22.305 0.180 15.737 1.00 8.64 N ATOM 2235 CZ ARG B 60 23.010 1.015 15.002 1.00 8.04 C ATOM 2236 NH1 ARG B 60 22.361 1.801 14.177 1.00 7.44 N ATOM 2237 NH2 ARG B 60 24.335 1.100 15.129 1.00 7.61 N ATOM 2238 HA ARG B 60 19.450 -2.639 13.092 1.00 0.00 H ATOM 2239 HB2 ARG B 60 18.357 -0.378 14.766 1.00 0.00 H ATOM 2240 HB3 ARG B 60 19.093 -1.884 15.362 1.00 0.00 H ATOM 2241 HG2 ARG B 60 21.094 -1.378 14.135 1.00 0.00 H ATOM 2242 HG3 ARG B 60 20.356 0.142 13.577 1.00 0.00 H ATOM 2243 HD2 ARG B 60 20.475 -0.456 16.518 1.00 0.00 H ATOM 2244 HD3 ARG B 60 20.437 1.113 15.680 1.00 0.00 H ATOM 2245 HE ARG B 60 22.804 -0.449 16.398 1.00 0.00 H ATOM 2246 HH12 ARG B 60 22.884 2.474 13.580 1.00 0.00 H ATOM 2247 HH11 ARG B 60 21.324 1.752 14.119 1.00 0.00 H ATOM 2248 HH22 ARG B 60 24.872 1.766 14.538 1.00 0.00 H ATOM 2249 HH21 ARG B 60 24.831 0.500 15.819 1.00 0.00 H ATOM 2250 H ARG B 60 18.291 -0.042 12.181 1.00 0.00 H ATOM 2251 N ASN B 61 16.341 -1.676 12.862 1.00 3.01 N ATOM 2252 CA ASN B 61 14.996 -2.221 12.803 1.00 3.22 C ATOM 2253 C ASN B 61 14.140 -1.831 11.565 1.00 2.58 C ATOM 2254 O ASN B 61 13.367 -0.836 11.596 1.00 2.00 O ATOM 2255 CB ASN B 61 14.159 -1.809 14.021 1.00 3.49 C ATOM 2256 CG ASN B 61 12.736 -2.428 13.920 1.00 5.73 C ATOM 2257 OD1 ASN B 61 11.894 -1.935 13.204 1.00 12.00 O ATOM 2258 ND2 ASN B 61 12.532 -3.544 14.503 1.00 8.36 N ATOM 2259 HA ASN B 61 15.199 -3.291 12.757 1.00 0.00 H ATOM 2260 HB2 ASN B 61 14.644 -2.164 14.930 1.00 0.00 H ATOM 2261 HB3 ASN B 61 14.079 -0.722 14.054 1.00 0.00 H ATOM 2262 HD22 ASN B 61 13.267 -3.953 15.115 1.00 0.00 H ATOM 2263 HD21 ASN B 61 11.631 -4.045 14.366 1.00 0.00 H ATOM 2264 H ASN B 61 16.541 -0.719 12.507 1.00 0.00 H ATOM 2265 N PHE B 62 14.196 -2.677 10.540 1.00 2.00 N ATOM 2266 CA PHE B 62 13.301 -2.438 9.419 1.00 2.10 C ATOM 2267 C PHE B 62 12.836 -3.748 8.710 1.00 2.37 C ATOM 2268 O PHE B 62 13.317 -4.876 8.949 1.00 2.41 O ATOM 2269 CB PHE B 62 13.976 -1.456 8.421 1.00 2.00 C ATOM 2270 CG PHE B 62 15.148 -2.026 7.720 1.00 2.00 C ATOM 2271 CD1 PHE B 62 15.030 -2.501 6.441 1.00 2.00 C ATOM 2272 CD2 PHE B 62 16.382 -2.145 8.353 1.00 2.63 C ATOM 2273 CE1 PHE B 62 16.180 -3.114 5.797 1.00 6.25 C ATOM 2274 CE2 PHE B 62 17.510 -2.705 7.702 1.00 2.23 C ATOM 2275 CZ PHE B 62 17.417 -3.189 6.454 1.00 2.00 C ATOM 2276 HA PHE B 62 12.390 -1.987 9.813 1.00 0.00 H ATOM 2277 HB2 PHE B 62 13.238 -1.164 7.674 1.00 0.00 H ATOM 2278 HB3 PHE B 62 14.301 -0.574 8.973 1.00 0.00 H ATOM 2279 HD2 PHE B 62 16.484 -1.797 9.381 1.00 0.00 H ATOM 2280 HE2 PHE B 62 18.467 -2.743 8.223 1.00 0.00 H ATOM 2281 HZ PHE B 62 18.283 -3.631 5.962 1.00 0.00 H ATOM 2282 HE1 PHE B 62 16.080 -3.521 4.791 1.00 0.00 H ATOM 2283 HD1 PHE B 62 14.081 -2.420 5.910 1.00 0.00 H ATOM 2284 H PHE B 62 14.856 -3.481 10.540 1.00 0.00 H ATOM 2285 N GLY B 63 11.831 -3.575 7.887 1.00 2.00 N ATOM 2286 CA GLY B 63 11.512 -4.578 6.915 1.00 2.19 C ATOM 2287 C GLY B 63 11.264 -3.952 5.558 1.00 2.00 C ATOM 2288 O GLY B 63 11.178 -2.749 5.428 1.00 2.00 O ATOM 2289 HA3 GLY B 63 10.616 -5.111 7.232 1.00 0.00 H ATOM 2290 HA2 GLY B 63 12.343 -5.279 6.839 1.00 0.00 H ATOM 2291 H GLY B 63 11.262 -2.706 7.940 1.00 0.00 H ATOM 2292 N SER B 64 11.084 -4.805 4.568 1.00 2.00 N ATOM 2293 CA SER B 64 10.950 -4.319 3.214 1.00 3.02 C ATOM 2294 C SER B 64 10.355 -5.365 2.247 1.00 3.04 C ATOM 2295 O SER B 64 10.387 -6.592 2.445 1.00 2.29 O ATOM 2296 CB SER B 64 12.327 -3.854 2.713 1.00 2.00 C ATOM 2297 OG SER B 64 13.054 -4.990 2.326 1.00 2.00 O ATOM 2298 HA SER B 64 10.245 -3.488 3.232 1.00 0.00 H ATOM 2299 HB2 SER B 64 12.854 -3.331 3.511 1.00 0.00 H ATOM 2300 HB3 SER B 64 12.204 -3.185 1.861 1.00 0.00 H ATOM 2301 HG SER B 64 12.568 -5.461 1.604 1.00 0.00 H ATOM 2302 H SER B 64 11.039 -5.826 4.762 1.00 0.00 H ATOM 2303 N TYR B 65 9.774 -4.808 1.197 1.00 3.80 N ATOM 2304 CA TYR B 65 9.351 -5.585 0.037 1.00 2.93 C ATOM 2305 C TYR B 65 9.844 -4.911 -1.259 1.00 2.19 C ATOM 2306 O TYR B 65 9.346 -3.840 -1.631 1.00 2.00 O ATOM 2307 CB TYR B 65 7.842 -5.758 0.060 1.00 2.00 C ATOM 2308 CG TYR B 65 7.385 -6.854 -0.875 1.00 2.00 C ATOM 2309 CD1 TYR B 65 7.496 -8.215 -0.525 1.00 2.00 C ATOM 2310 CD2 TYR B 65 6.882 -6.512 -2.143 1.00 2.00 C ATOM 2311 CE1 TYR B 65 7.122 -9.203 -1.406 1.00 2.00 C ATOM 2312 CE2 TYR B 65 6.492 -7.457 -3.013 1.00 2.00 C ATOM 2313 CZ TYR B 65 6.600 -8.808 -2.651 1.00 2.00 C ATOM 2314 OH TYR B 65 6.091 -9.689 -3.547 1.00 2.00 O ATOM 2315 HA TYR B 65 9.797 -6.579 0.072 1.00 0.00 H ATOM 2316 HB3 TYR B 65 7.375 -4.820 -0.241 1.00 0.00 H ATOM 2317 HB2 TYR B 65 7.531 -6.008 1.074 1.00 0.00 H ATOM 2318 HD2 TYR B 65 6.808 -5.462 -2.424 1.00 0.00 H ATOM 2319 HE2 TYR B 65 6.096 -7.178 -3.989 1.00 0.00 H ATOM 2320 HE1 TYR B 65 7.227 -10.257 -1.148 1.00 0.00 H ATOM 2321 HD1 TYR B 65 7.883 -8.488 0.457 1.00 0.00 H ATOM 2322 HH TYR B 65 6.212 -10.611 -3.207 1.00 0.00 H ATOM 2323 H TYR B 65 9.613 -3.781 1.199 1.00 0.00 H ATOM 2324 N VAL B 66 10.885 -5.495 -1.866 1.00 2.05 N ATOM 2325 CA VAL B 66 11.466 -4.873 -3.077 1.00 2.72 C ATOM 2326 C VAL B 66 11.547 -5.850 -4.248 1.00 2.21 C ATOM 2327 O VAL B 66 11.332 -7.081 -4.053 1.00 2.90 O ATOM 2328 CB VAL B 66 12.870 -4.302 -2.806 1.00 2.45 C ATOM 2329 CG1 VAL B 66 12.818 -3.457 -1.585 1.00 3.38 C ATOM 2330 CG2 VAL B 66 13.802 -5.410 -2.574 1.00 2.42 C ATOM 2331 HA VAL B 66 10.791 -4.060 -3.345 1.00 0.00 H ATOM 2332 HB VAL B 66 13.200 -3.710 -3.659 1.00 0.00 H ATOM 2333 HG11 VAL B 66 12.111 -2.642 -1.739 1.00 0.00 H ATOM 2334 HG12 VAL B 66 12.496 -4.064 -0.738 1.00 0.00 H ATOM 2335 HG13 VAL B 66 13.808 -3.048 -1.385 1.00 0.00 H ATOM 2336 HG21 VAL B 66 13.469 -5.989 -1.713 1.00 0.00 H ATOM 2337 HG22 VAL B 66 13.830 -6.050 -3.456 1.00 0.00 H ATOM 2338 HG23 VAL B 66 14.798 -5.011 -2.382 1.00 0.00 H ATOM 2339 H VAL B 66 11.282 -6.379 -1.489 1.00 0.00 H ATOM 2340 N THR B 67 11.800 -5.284 -5.426 1.00 2.00 N ATOM 2341 CA THR B 67 12.012 -6.012 -6.660 1.00 2.00 C ATOM 2342 C THR B 67 13.478 -5.857 -7.134 1.00 2.39 C ATOM 2343 O THR B 67 14.089 -4.763 -7.123 1.00 3.49 O ATOM 2344 CB THR B 67 11.019 -5.584 -7.795 1.00 2.00 C ATOM 2345 OG1 THR B 67 9.649 -5.740 -7.369 1.00 2.00 O ATOM 2346 CG2 THR B 67 11.294 -6.381 -9.129 1.00 2.00 C ATOM 2347 HA THR B 67 11.812 -7.062 -6.446 1.00 0.00 H ATOM 2348 HB THR B 67 11.188 -4.527 -8.002 1.00 0.00 H ATOM 2349 HG1 THR B 67 9.043 -5.464 -8.102 1.00 0.00 H ATOM 2350 HG23 THR B 67 12.334 -6.244 -9.425 1.00 0.00 H ATOM 2351 HG21 THR B 67 11.098 -7.441 -8.965 1.00 0.00 H ATOM 2352 HG22 THR B 67 10.639 -6.007 -9.916 1.00 0.00 H ATOM 2353 H THR B 67 11.849 -4.246 -5.463 1.00 0.00 H ATOM 2354 N HIS B 68 14.087 -6.929 -7.558 1.00 2.00 N ATOM 2355 CA HIS B 68 15.446 -6.764 -7.878 1.00 2.34 C ATOM 2356 C HIS B 68 15.745 -7.598 -9.114 1.00 2.89 C ATOM 2357 O HIS B 68 15.085 -8.620 -9.391 1.00 2.28 O ATOM 2358 CB HIS B 68 16.358 -7.172 -6.672 1.00 2.00 C ATOM 2359 CG HIS B 68 16.255 -8.628 -6.316 1.00 3.75 C ATOM 2360 ND1 HIS B 68 17.047 -9.592 -6.912 1.00 3.26 N ATOM 2361 CD2 HIS B 68 15.384 -9.300 -5.507 1.00 2.57 C ATOM 2362 CE1 HIS B 68 16.711 -10.784 -6.443 1.00 2.18 C ATOM 2363 NE2 HIS B 68 15.711 -10.633 -5.588 1.00 2.70 N ATOM 2364 HA HIS B 68 15.658 -5.716 -8.087 1.00 0.00 H ATOM 2365 HB2 HIS B 68 17.394 -6.951 -6.931 1.00 0.00 H ATOM 2366 HB3 HIS B 68 16.068 -6.582 -5.803 1.00 0.00 H ATOM 2367 HD2 HIS B 68 14.583 -8.863 -4.911 1.00 0.00 H ATOM 2368 HE1 HIS B 68 17.179 -11.730 -6.715 1.00 0.00 H ATOM 2369 H HIS B 68 13.601 -7.843 -7.653 1.00 0.00 H ATOM 2370 N GLU B 69 16.786 -7.195 -9.827 1.00 3.56 N ATOM 2371 CA GLU B 69 17.275 -7.997 -10.898 1.00 5.28 C ATOM 2372 C GLU B 69 17.634 -9.324 -10.345 1.00 5.65 C ATOM 2373 O GLU B 69 18.164 -9.401 -9.216 1.00 6.23 O ATOM 2374 CB GLU B 69 18.500 -7.343 -11.472 1.00 6.50 C ATOM 2375 CG GLU B 69 18.937 -7.885 -12.816 1.00 5.68 C ATOM 2376 CD GLU B 69 20.121 -7.118 -13.306 1.00 5.85 C ATOM 2377 OE1 GLU B 69 20.987 -7.648 -13.970 1.00 11.31 O ATOM 2378 OE2 GLU B 69 20.211 -5.947 -13.019 1.00 7.81 O ATOM 2379 HA GLU B 69 16.523 -8.105 -11.680 1.00 0.00 H ATOM 2380 HB2 GLU B 69 18.295 -6.278 -11.586 1.00 0.00 H ATOM 2381 HB3 GLU B 69 19.320 -7.481 -10.767 1.00 0.00 H ATOM 2382 HG2 GLU B 69 19.203 -8.937 -12.714 1.00 0.00 H ATOM 2383 HG3 GLU B 69 18.120 -7.786 -13.530 1.00 0.00 H ATOM 2384 H GLU B 69 17.248 -6.290 -9.604 1.00 0.00 H ATOM 2385 N THR B 70 17.287 -10.382 -11.068 1.00 6.37 N ATOM 2386 CA THR B 70 17.673 -11.749 -10.670 1.00 7.04 C ATOM 2387 C THR B 70 19.169 -11.748 -10.404 1.00 5.48 C ATOM 2388 O THR B 70 19.865 -10.985 -11.048 1.00 5.92 O ATOM 2389 CB THR B 70 17.238 -12.762 -11.739 1.00 7.51 C ATOM 2390 OG1 THR B 70 17.579 -14.119 -11.381 1.00 13.55 O ATOM 2391 CG2 THR B 70 17.941 -12.432 -13.037 1.00 10.37 C ATOM 2392 HA THR B 70 17.165 -12.058 -9.756 1.00 0.00 H ATOM 2393 HB THR B 70 16.154 -12.694 -11.834 1.00 0.00 H ATOM 2394 HG1 THR B 70 17.280 -14.733 -12.098 1.00 0.00 H ATOM 2395 HG23 THR B 70 17.699 -11.410 -13.330 1.00 0.00 H ATOM 2396 HG21 THR B 70 19.018 -12.527 -12.900 1.00 0.00 H ATOM 2397 HG22 THR B 70 17.610 -13.122 -13.813 1.00 0.00 H ATOM 2398 H THR B 70 16.730 -10.244 -11.935 1.00 0.00 H ATOM 2399 N ARG B 71 19.648 -12.554 -9.445 1.00 4.98 N ATOM 2400 CA ARG B 71 21.096 -12.742 -9.109 1.00 4.05 C ATOM 2401 C ARG B 71 21.776 -11.433 -8.533 1.00 4.79 C ATOM 2402 O ARG B 71 22.996 -11.321 -8.427 1.00 4.11 O ATOM 2403 CB ARG B 71 21.883 -13.333 -10.309 1.00 2.35 C ATOM 2404 CG ARG B 71 21.531 -14.804 -10.652 1.00 2.00 C ATOM 2405 CD ARG B 71 22.076 -15.819 -9.649 1.00 2.00 C ATOM 2406 NE ARG B 71 23.530 -15.954 -9.735 1.00 2.00 N ATOM 2407 CZ ARG B 71 24.317 -16.533 -8.835 1.00 2.00 C ATOM 2408 NH1 ARG B 71 23.813 -17.087 -7.717 1.00 2.00 N ATOM 2409 NH2 ARG B 71 25.643 -16.549 -9.049 1.00 2.00 N ATOM 2410 HA ARG B 71 21.134 -13.471 -8.300 1.00 0.00 H ATOM 2411 HB2 ARG B 71 21.676 -12.720 -11.186 1.00 0.00 H ATOM 2412 HB3 ARG B 71 22.947 -13.283 -10.076 1.00 0.00 H ATOM 2413 HG2 ARG B 71 20.446 -14.900 -10.683 1.00 0.00 H ATOM 2414 HG3 ARG B 71 21.943 -15.036 -11.634 1.00 0.00 H ATOM 2415 HD2 ARG B 71 21.621 -16.789 -9.848 1.00 0.00 H ATOM 2416 HD3 ARG B 71 21.812 -15.495 -8.642 1.00 0.00 H ATOM 2417 HE ARG B 71 23.991 -15.560 -10.580 1.00 0.00 H ATOM 2418 HH12 ARG B 71 24.449 -17.535 -7.026 1.00 0.00 H ATOM 2419 HH11 ARG B 71 22.788 -17.067 -7.544 1.00 0.00 H ATOM 2420 HH22 ARG B 71 26.276 -16.997 -8.356 1.00 0.00 H ATOM 2421 HH21 ARG B 71 26.037 -16.113 -9.907 1.00 0.00 H ATOM 2422 H ARG B 71 18.956 -13.094 -8.887 1.00 0.00 H ATOM 2423 N HIS B 72 20.978 -10.444 -8.139 1.00 5.65 N ATOM 2424 CA HIS B 72 21.558 -9.226 -7.582 1.00 5.76 C ATOM 2425 C HIS B 72 20.807 -8.695 -6.342 1.00 6.43 C ATOM 2426 O HIS B 72 20.285 -7.537 -6.319 1.00 6.94 O ATOM 2427 CB HIS B 72 21.574 -8.172 -8.660 1.00 4.04 C ATOM 2428 CG HIS B 72 22.305 -8.608 -9.879 1.00 7.30 C ATOM 2429 ND1 HIS B 72 21.820 -9.598 -10.723 1.00 7.41 N ATOM 2430 CD2 HIS B 72 23.485 -8.189 -10.410 1.00 4.46 C ATOM 2431 CE1 HIS B 72 22.666 -9.759 -11.729 1.00 8.17 C ATOM 2432 NE2 HIS B 72 23.679 -8.916 -11.559 1.00 8.96 N ATOM 2433 HA HIS B 72 22.566 -9.467 -7.243 1.00 0.00 H ATOM 2434 HB2 HIS B 72 20.545 -7.938 -8.935 1.00 0.00 H ATOM 2435 HB3 HIS B 72 22.056 -7.277 -8.266 1.00 0.00 H ATOM 2436 HD2 HIS B 72 24.148 -7.425 -10.003 1.00 0.00 H ATOM 2437 HE1 HIS B 72 22.551 -10.462 -12.554 1.00 0.00 H ATOM 2438 H HIS B 72 19.946 -10.538 -8.227 1.00 0.00 H ATOM 2439 N PHE B 73 20.792 -9.501 -5.285 1.00 5.94 N ATOM 2440 CA PHE B 73 20.185 -9.059 -4.052 1.00 5.37 C ATOM 2441 C PHE B 73 20.768 -9.777 -2.932 1.00 5.69 C ATOM 2442 O PHE B 73 20.987 -10.998 -3.041 1.00 6.50 O ATOM 2443 CB PHE B 73 18.713 -9.399 -4.062 1.00 6.77 C ATOM 2444 CG PHE B 73 18.146 -9.874 -2.715 1.00 6.60 C ATOM 2445 CD1 PHE B 73 18.111 -11.220 -2.382 1.00 6.53 C ATOM 2446 CD2 PHE B 73 17.587 -8.972 -1.821 1.00 5.91 C ATOM 2447 CE1 PHE B 73 17.523 -11.646 -1.205 1.00 8.49 C ATOM 2448 CE2 PHE B 73 17.025 -9.419 -0.612 1.00 7.05 C ATOM 2449 CZ PHE B 73 16.994 -10.728 -0.301 1.00 4.93 C ATOM 2450 HA PHE B 73 20.345 -7.985 -3.958 1.00 0.00 H ATOM 2451 HB2 PHE B 73 18.162 -8.509 -4.366 1.00 0.00 H ATOM 2452 HB3 PHE B 73 18.554 -10.191 -4.794 1.00 0.00 H ATOM 2453 HD2 PHE B 73 17.583 -7.908 -2.058 1.00 0.00 H ATOM 2454 HE2 PHE B 73 16.607 -8.693 0.085 1.00 0.00 H ATOM 2455 HZ PHE B 73 16.562 -11.064 0.642 1.00 0.00 H ATOM 2456 HE1 PHE B 73 17.473 -12.712 -0.982 1.00 0.00 H ATOM 2457 HD1 PHE B 73 18.553 -11.952 -3.058 1.00 0.00 H ATOM 2458 H PHE B 73 21.217 -10.448 -5.346 1.00 0.00 H ATOM 2459 N ILE B 74 20.991 -9.057 -1.834 1.00 4.61 N ATOM 2460 CA ILE B 74 21.540 -9.644 -0.632 1.00 5.16 C ATOM 2461 C ILE B 74 20.974 -8.886 0.581 1.00 5.81 C ATOM 2462 O ILE B 74 20.820 -7.640 0.544 1.00 7.17 O ATOM 2463 CB ILE B 74 23.096 -9.640 -0.637 1.00 4.57 C ATOM 2464 CG1 ILE B 74 23.701 -10.492 0.511 1.00 3.67 C ATOM 2465 CG2 ILE B 74 23.573 -8.223 -0.554 1.00 6.19 C ATOM 2466 CD1 ILE B 74 25.189 -10.475 0.742 1.00 2.00 C ATOM 2467 HA ILE B 74 21.246 -10.692 -0.579 1.00 0.00 H ATOM 2468 HB ILE B 74 23.435 -10.099 -1.565 1.00 0.00 H ATOM 2469 HG12 ILE B 74 23.232 -10.156 1.436 1.00 0.00 H ATOM 2470 HG13 ILE B 74 23.422 -11.528 0.319 1.00 0.00 H ATOM 2471 HD11 ILE B 74 25.699 -10.830 -0.154 1.00 0.00 H ATOM 2472 HD12 ILE B 74 25.509 -9.457 0.965 1.00 0.00 H ATOM 2473 HD13 ILE B 74 25.432 -11.126 1.582 1.00 0.00 H ATOM 2474 HG21 ILE B 74 23.198 -7.664 -1.411 1.00 0.00 H ATOM 2475 HG22 ILE B 74 23.204 -7.770 0.366 1.00 0.00 H ATOM 2476 HG23 ILE B 74 24.663 -8.207 -0.557 1.00 0.00 H ATOM 2477 H ILE B 74 20.763 -8.042 -1.841 1.00 0.00 H ATOM 2478 N TYR B 75 20.652 -9.634 1.631 1.00 5.41 N ATOM 2479 CA TYR B 75 20.327 -9.054 2.927 1.00 4.42 C ATOM 2480 C TYR B 75 21.036 -9.807 4.047 1.00 4.19 C ATOM 2481 O TYR B 75 20.997 -11.036 4.109 1.00 4.05 O ATOM 2482 CB TYR B 75 18.815 -9.070 3.156 1.00 4.40 C ATOM 2483 CG TYR B 75 18.405 -8.709 4.566 1.00 2.00 C ATOM 2484 CD1 TYR B 75 18.514 -7.404 5.029 1.00 2.00 C ATOM 2485 CD2 TYR B 75 17.909 -9.672 5.434 1.00 3.43 C ATOM 2486 CE1 TYR B 75 18.140 -7.069 6.316 1.00 2.00 C ATOM 2487 CE2 TYR B 75 17.533 -9.346 6.724 1.00 2.00 C ATOM 2488 CZ TYR B 75 17.651 -8.044 7.159 1.00 2.96 C ATOM 2489 OH TYR B 75 17.277 -7.715 8.442 1.00 3.80 O ATOM 2490 HA TYR B 75 20.671 -8.020 2.933 1.00 0.00 H ATOM 2491 HB3 TYR B 75 18.445 -10.071 2.936 1.00 0.00 H ATOM 2492 HB2 TYR B 75 18.356 -8.356 2.472 1.00 0.00 H ATOM 2493 HD2 TYR B 75 17.814 -10.703 5.093 1.00 0.00 H ATOM 2494 HE2 TYR B 75 17.146 -10.114 7.393 1.00 0.00 H ATOM 2495 HE1 TYR B 75 18.231 -6.040 6.663 1.00 0.00 H ATOM 2496 HD1 TYR B 75 18.901 -6.631 4.365 1.00 0.00 H ATOM 2497 HH TYR B 75 17.819 -8.235 9.086 1.00 0.00 H ATOM 2498 H TYR B 75 20.631 -10.668 1.524 1.00 0.00 H ATOM 2499 N PHE B 76 21.683 -9.056 4.931 1.00 4.19 N ATOM 2500 CA PHE B 76 22.624 -9.628 5.919 1.00 2.51 C ATOM 2501 C PHE B 76 22.806 -8.724 7.136 1.00 2.13 C ATOM 2502 O PHE B 76 22.419 -7.559 7.094 1.00 2.11 O ATOM 2503 CB PHE B 76 24.022 -9.961 5.287 1.00 2.47 C ATOM 2504 CG PHE B 76 24.835 -8.761 4.728 1.00 2.59 C ATOM 2505 CD1 PHE B 76 24.519 -8.184 3.488 1.00 5.44 C ATOM 2506 CD2 PHE B 76 26.002 -8.293 5.398 1.00 2.00 C ATOM 2507 CE1 PHE B 76 25.335 -7.109 2.945 1.00 6.10 C ATOM 2508 CE2 PHE B 76 26.828 -7.271 4.878 1.00 2.00 C ATOM 2509 CZ PHE B 76 26.503 -6.662 3.678 1.00 2.79 C ATOM 2510 HA PHE B 76 22.169 -10.561 6.252 1.00 0.00 H ATOM 2511 HB2 PHE B 76 24.627 -10.442 6.056 1.00 0.00 H ATOM 2512 HB3 PHE B 76 23.857 -10.660 4.467 1.00 0.00 H ATOM 2513 HD2 PHE B 76 26.270 -8.743 6.354 1.00 0.00 H ATOM 2514 HE2 PHE B 76 27.721 -6.962 5.422 1.00 0.00 H ATOM 2515 HZ PHE B 76 27.120 -5.853 3.288 1.00 0.00 H ATOM 2516 HE1 PHE B 76 25.070 -6.644 1.995 1.00 0.00 H ATOM 2517 HD1 PHE B 76 23.656 -8.544 2.928 1.00 0.00 H ATOM 2518 H PHE B 76 21.522 -8.028 4.929 1.00 0.00 H ATOM 2519 N TYR B 77 23.435 -9.250 8.179 1.00 2.00 N ATOM 2520 CA TYR B 77 23.712 -8.501 9.399 1.00 3.74 C ATOM 2521 C TYR B 77 25.147 -8.405 9.527 1.00 2.45 C ATOM 2522 O TYR B 77 25.811 -9.419 9.355 1.00 2.65 O ATOM 2523 CB TYR B 77 23.205 -9.203 10.656 1.00 2.63 C ATOM 2524 CG TYR B 77 21.728 -9.309 10.725 1.00 8.85 C ATOM 2525 CD1 TYR B 77 20.955 -8.244 11.206 1.00 18.06 C ATOM 2526 CD2 TYR B 77 21.088 -10.470 10.367 1.00 18.28 C ATOM 2527 CE1 TYR B 77 19.561 -8.326 11.282 1.00 24.52 C ATOM 2528 CE2 TYR B 77 19.681 -10.579 10.450 1.00 24.60 C ATOM 2529 CZ TYR B 77 18.927 -9.508 10.900 1.00 26.48 C ATOM 2530 OH TYR B 77 17.547 -9.637 10.992 1.00 31.90 O ATOM 2531 HA TYR B 77 23.210 -7.537 9.319 1.00 0.00 H ATOM 2532 HB3 TYR B 77 23.551 -8.645 11.526 1.00 0.00 H ATOM 2533 HB2 TYR B 77 23.624 -10.209 10.681 1.00 0.00 H ATOM 2534 HD2 TYR B 77 21.673 -11.319 10.014 1.00 0.00 H ATOM 2535 HE2 TYR B 77 19.189 -11.507 10.159 1.00 0.00 H ATOM 2536 HE1 TYR B 77 18.977 -7.476 11.636 1.00 0.00 H ATOM 2537 HD1 TYR B 77 21.452 -7.329 11.529 1.00 0.00 H ATOM 2538 HH TYR B 77 17.159 -8.790 11.327 1.00 0.00 H ATOM 2539 H TYR B 77 23.744 -10.241 8.124 1.00 0.00 H ATOM 2540 N LEU B 78 25.643 -7.231 9.862 1.00 3.72 N ATOM 2541 CA LEU B 78 27.053 -7.018 10.151 1.00 4.13 C ATOM 2542 C LEU B 78 27.161 -6.091 11.394 1.00 5.22 C ATOM 2543 O LEU B 78 26.537 -5.053 11.545 1.00 5.92 O ATOM 2544 CB LEU B 78 27.798 -6.511 8.878 1.00 4.33 C ATOM 2545 CG LEU B 78 29.345 -6.242 8.896 1.00 2.00 C ATOM 2546 CD1 LEU B 78 30.044 -7.557 8.921 1.00 4.00 C ATOM 2547 CD2 LEU B 78 29.833 -5.540 7.731 1.00 2.00 C ATOM 2548 HA LEU B 78 27.559 -7.948 10.409 1.00 0.00 H ATOM 2549 HB2 LEU B 78 27.622 -7.254 8.100 1.00 0.00 H ATOM 2550 HB3 LEU B 78 27.324 -5.571 8.595 1.00 0.00 H ATOM 2551 HG LEU B 78 29.540 -5.621 9.771 1.00 0.00 H ATOM 2552 HD21 LEU B 78 29.618 -6.127 6.838 1.00 0.00 H ATOM 2553 HD22 LEU B 78 29.338 -4.572 7.658 1.00 0.00 H ATOM 2554 HD23 LEU B 78 30.909 -5.394 7.821 1.00 0.00 H ATOM 2555 HD11 LEU B 78 29.748 -8.108 9.814 1.00 0.00 H ATOM 2556 HD12 LEU B 78 29.772 -8.128 8.033 1.00 0.00 H ATOM 2557 HD13 LEU B 78 31.122 -7.394 8.934 1.00 0.00 H ATOM 2558 H LEU B 78 24.996 -6.419 9.923 1.00 0.00 H ATOM 2559 N GLY B 79 27.937 -6.429 12.360 1.00 7.41 N ATOM 2560 CA GLY B 79 27.929 -5.476 13.460 1.00 8.73 C ATOM 2561 C GLY B 79 26.552 -5.571 14.108 1.00 8.99 C ATOM 2562 O GLY B 79 26.004 -6.685 14.292 1.00 10.60 O ATOM 2563 HA3 GLY B 79 28.100 -4.467 13.085 1.00 0.00 H ATOM 2564 HA2 GLY B 79 28.704 -5.730 14.183 1.00 0.00 H ATOM 2565 H GLY B 79 28.512 -7.295 12.357 1.00 0.00 H ATOM 2566 N GLN B 80 26.021 -4.416 14.488 1.00 7.91 N ATOM 2567 CA GLN B 80 24.702 -4.317 15.083 1.00 7.00 C ATOM 2568 C GLN B 80 23.678 -3.807 14.077 1.00 5.77 C ATOM 2569 O GLN B 80 22.644 -3.376 14.460 1.00 4.85 O ATOM 2570 CB GLN B 80 24.738 -3.398 16.321 1.00 8.40 C ATOM 2571 CG GLN B 80 25.667 -2.184 16.239 1.00 8.29 C ATOM 2572 CD GLN B 80 25.647 -1.368 17.518 1.00 9.76 C ATOM 2573 OE1 GLN B 80 25.222 -0.206 17.501 1.00 14.13 O ATOM 2574 NE2 GLN B 80 26.087 -1.945 18.615 1.00 6.28 N ATOM 2575 HA GLN B 80 24.400 -5.317 15.394 1.00 0.00 H ATOM 2576 HB2 GLN B 80 23.726 -3.031 16.492 1.00 0.00 H ATOM 2577 HB3 GLN B 80 25.053 -4.001 17.173 1.00 0.00 H ATOM 2578 HG2 GLN B 80 26.684 -2.530 16.058 1.00 0.00 H ATOM 2579 HG3 GLN B 80 25.347 -1.551 15.412 1.00 0.00 H ATOM 2580 HE22 GLN B 80 26.436 -2.924 18.584 1.00 0.00 H ATOM 2581 HE21 GLN B 80 26.086 -1.422 19.514 1.00 0.00 H ATOM 2582 H GLN B 80 26.574 -3.545 14.354 1.00 0.00 H ATOM 2583 N VAL B 81 23.954 -3.953 12.793 1.00 4.70 N ATOM 2584 CA VAL B 81 23.032 -3.538 11.776 1.00 4.52 C ATOM 2585 C VAL B 81 22.745 -4.642 10.726 1.00 3.49 C ATOM 2586 O VAL B 81 23.486 -5.659 10.633 1.00 2.00 O ATOM 2587 CB VAL B 81 23.611 -2.221 11.137 1.00 4.88 C ATOM 2588 CG1 VAL B 81 24.882 -2.508 10.319 1.00 7.74 C ATOM 2589 CG2 VAL B 81 22.664 -1.604 10.247 1.00 4.21 C ATOM 2590 HA VAL B 81 22.055 -3.343 12.219 1.00 0.00 H ATOM 2591 HB VAL B 81 23.835 -1.555 11.971 1.00 0.00 H ATOM 2592 HG11 VAL B 81 25.641 -2.941 10.970 1.00 0.00 H ATOM 2593 HG12 VAL B 81 24.646 -3.208 9.518 1.00 0.00 H ATOM 2594 HG13 VAL B 81 25.256 -1.577 9.892 1.00 0.00 H ATOM 2595 HG21 VAL B 81 22.417 -2.298 9.443 1.00 0.00 H ATOM 2596 HG22 VAL B 81 21.760 -1.350 10.800 1.00 0.00 H ATOM 2597 HG23 VAL B 81 23.100 -0.698 9.826 1.00 0.00 H ATOM 2598 H VAL B 81 24.861 -4.379 12.514 1.00 0.00 H ATOM 2599 N ALA B 82 21.620 -4.424 10.027 1.00 2.64 N ATOM 2600 CA ALA B 82 21.123 -5.217 8.921 1.00 2.84 C ATOM 2601 C ALA B 82 21.303 -4.402 7.628 1.00 3.38 C ATOM 2602 O ALA B 82 21.005 -3.181 7.553 1.00 3.16 O ATOM 2603 CB ALA B 82 19.668 -5.669 9.136 1.00 2.00 C ATOM 2604 HA ALA B 82 21.696 -6.141 8.847 1.00 0.00 H ATOM 2605 HB1 ALA B 82 19.607 -6.274 10.041 1.00 0.00 H ATOM 2606 HB2 ALA B 82 19.028 -4.793 9.239 1.00 0.00 H ATOM 2607 HB3 ALA B 82 19.342 -6.260 8.280 1.00 0.00 H ATOM 2608 H ALA B 82 21.047 -3.603 10.308 1.00 0.00 H ATOM 2609 N ILE B 83 21.878 -5.059 6.626 1.00 4.38 N ATOM 2610 CA ILE B 83 22.125 -4.406 5.345 1.00 4.78 C ATOM 2611 C ILE B 83 21.280 -5.038 4.194 1.00 5.37 C ATOM 2612 O ILE B 83 21.220 -6.289 4.027 1.00 5.73 O ATOM 2613 CB ILE B 83 23.619 -4.435 4.982 1.00 5.20 C ATOM 2614 CG1 ILE B 83 24.453 -3.698 6.014 1.00 5.10 C ATOM 2615 CG2 ILE B 83 23.896 -3.741 3.705 1.00 3.04 C ATOM 2616 CD1 ILE B 83 24.938 -4.573 7.030 1.00 10.03 C ATOM 2617 HA ILE B 83 21.814 -3.368 5.458 1.00 0.00 H ATOM 2618 HB ILE B 83 23.874 -5.493 4.925 1.00 0.00 H ATOM 2619 HG12 ILE B 83 25.303 -3.233 5.514 1.00 0.00 H ATOM 2620 HG13 ILE B 83 23.839 -2.926 6.477 1.00 0.00 H ATOM 2621 HD11 ILE B 83 24.095 -5.037 7.541 1.00 0.00 H ATOM 2622 HD12 ILE B 83 25.560 -5.345 6.576 1.00 0.00 H ATOM 2623 HD13 ILE B 83 25.529 -4.003 7.747 1.00 0.00 H ATOM 2624 HG21 ILE B 83 23.342 -4.226 2.902 1.00 0.00 H ATOM 2625 HG22 ILE B 83 23.586 -2.699 3.784 1.00 0.00 H ATOM 2626 HG23 ILE B 83 24.964 -3.788 3.491 1.00 0.00 H ATOM 2627 H ILE B 83 22.156 -6.053 6.757 1.00 0.00 H ATOM 2628 N LEU B 84 20.658 -4.182 3.407 1.00 3.57 N ATOM 2629 CA LEU B 84 19.977 -4.664 2.230 1.00 3.90 C ATOM 2630 C LEU B 84 20.561 -4.011 1.010 1.00 3.44 C ATOM 2631 O LEU B 84 20.595 -2.800 0.888 1.00 3.19 O ATOM 2632 CB LEU B 84 18.480 -4.361 2.306 1.00 4.34 C ATOM 2633 CG LEU B 84 17.630 -4.628 1.055 1.00 3.03 C ATOM 2634 CD1 LEU B 84 17.667 -6.088 0.558 1.00 2.00 C ATOM 2635 CD2 LEU B 84 16.121 -4.168 1.259 1.00 3.08 C ATOM 2636 HA LEU B 84 20.109 -5.744 2.171 1.00 0.00 H ATOM 2637 HB2 LEU B 84 18.067 -4.964 3.115 1.00 0.00 H ATOM 2638 HB3 LEU B 84 18.374 -3.304 2.552 1.00 0.00 H ATOM 2639 HG LEU B 84 18.095 -4.022 0.277 1.00 0.00 H ATOM 2640 HD21 LEU B 84 15.685 -4.717 2.094 1.00 0.00 H ATOM 2641 HD22 LEU B 84 16.094 -3.099 1.471 1.00 0.00 H ATOM 2642 HD23 LEU B 84 15.554 -4.374 0.351 1.00 0.00 H ATOM 2643 HD11 LEU B 84 18.693 -6.360 0.310 1.00 0.00 H ATOM 2644 HD12 LEU B 84 17.295 -6.747 1.342 1.00 0.00 H ATOM 2645 HD13 LEU B 84 17.039 -6.185 -0.328 1.00 0.00 H ATOM 2646 H LEU B 84 20.658 -3.167 3.633 1.00 0.00 H ATOM 2647 N LEU B 85 21.092 -4.821 0.104 1.00 3.10 N ATOM 2648 CA LEU B 85 21.759 -4.274 -1.049 1.00 2.00 C ATOM 2649 C LEU B 85 21.132 -4.992 -2.234 1.00 2.00 C ATOM 2650 O LEU B 85 20.995 -6.171 -2.241 1.00 2.00 O ATOM 2651 CB LEU B 85 23.313 -4.412 -0.943 1.00 2.00 C ATOM 2652 CG LEU B 85 24.193 -4.031 -2.162 1.00 2.00 C ATOM 2653 CD1 LEU B 85 24.103 -2.514 -2.516 1.00 2.00 C ATOM 2654 CD2 LEU B 85 25.662 -4.486 -1.979 1.00 2.00 C ATOM 2655 HA LEU B 85 21.624 -3.197 -1.151 1.00 0.00 H ATOM 2656 HB2 LEU B 85 23.632 -3.784 -0.111 1.00 0.00 H ATOM 2657 HB3 LEU B 85 23.525 -5.456 -0.711 1.00 0.00 H ATOM 2658 HG LEU B 85 23.786 -4.575 -3.014 1.00 0.00 H ATOM 2659 HD21 LEU B 85 26.081 -4.009 -1.093 1.00 0.00 H ATOM 2660 HD22 LEU B 85 25.693 -5.569 -1.860 1.00 0.00 H ATOM 2661 HD23 LEU B 85 26.242 -4.199 -2.856 1.00 0.00 H ATOM 2662 HD11 LEU B 85 23.071 -2.259 -2.755 1.00 0.00 H ATOM 2663 HD12 LEU B 85 24.437 -1.923 -1.663 1.00 0.00 H ATOM 2664 HD13 LEU B 85 24.739 -2.305 -3.376 1.00 0.00 H ATOM 2665 H LEU B 85 21.027 -5.852 0.226 1.00 0.00 H ATOM 2666 N PHE B 86 20.673 -4.257 -3.215 1.00 2.57 N ATOM 2667 CA PHE B 86 20.038 -4.892 -4.359 1.00 3.09 C ATOM 2668 C PHE B 86 19.995 -3.947 -5.545 1.00 4.08 C ATOM 2669 O PHE B 86 20.191 -2.762 -5.445 1.00 3.13 O ATOM 2670 CB PHE B 86 18.611 -5.367 -4.023 1.00 2.71 C ATOM 2671 CG PHE B 86 17.609 -4.293 -3.905 1.00 4.24 C ATOM 2672 CD1 PHE B 86 17.428 -3.610 -2.699 1.00 4.60 C ATOM 2673 CD2 PHE B 86 16.786 -3.970 -5.006 1.00 3.97 C ATOM 2674 CE1 PHE B 86 16.449 -2.582 -2.617 1.00 3.28 C ATOM 2675 CE2 PHE B 86 15.861 -2.997 -4.920 1.00 2.00 C ATOM 2676 CZ PHE B 86 15.669 -2.318 -3.704 1.00 2.78 C ATOM 2677 HA PHE B 86 20.639 -5.764 -4.618 1.00 0.00 H ATOM 2678 HB2 PHE B 86 18.287 -6.048 -4.810 1.00 0.00 H ATOM 2679 HB3 PHE B 86 18.647 -5.902 -3.074 1.00 0.00 H ATOM 2680 HD2 PHE B 86 16.902 -4.518 -5.941 1.00 0.00 H ATOM 2681 HE2 PHE B 86 15.261 -2.735 -5.792 1.00 0.00 H ATOM 2682 HZ PHE B 86 14.883 -1.567 -3.629 1.00 0.00 H ATOM 2683 HE1 PHE B 86 16.324 -2.012 -1.696 1.00 0.00 H ATOM 2684 HD1 PHE B 86 18.033 -3.863 -1.828 1.00 0.00 H ATOM 2685 H PHE B 86 20.762 -3.222 -3.176 1.00 0.00 H ATOM 2686 N LYS B 87 19.791 -4.515 -6.728 1.00 6.05 N ATOM 2687 CA LYS B 87 19.907 -3.726 -7.910 1.00 6.01 C ATOM 2688 C LYS B 87 18.591 -3.801 -8.543 1.00 6.48 C ATOM 2689 O LYS B 87 17.997 -4.853 -8.525 1.00 5.95 O ATOM 2690 CB LYS B 87 20.979 -4.308 -8.816 1.00 6.52 C ATOM 2691 CG LYS B 87 21.089 -3.624 -10.219 1.00 4.92 C ATOM 2692 CD LYS B 87 22.283 -4.163 -10.990 1.00 2.00 C ATOM 2693 CE LYS B 87 22.232 -3.657 -12.411 1.00 2.00 C ATOM 2694 NZ LYS B 87 23.566 -3.388 -12.973 1.00 3.21 N ATOM 2695 HA LYS B 87 20.195 -2.696 -7.701 1.00 0.00 H ATOM 2696 HB2 LYS B 87 21.941 -4.208 -8.313 1.00 0.00 H ATOM 2697 HB3 LYS B 87 20.758 -5.364 -8.969 1.00 0.00 H ATOM 2698 HG2 LYS B 87 20.179 -3.821 -10.785 1.00 0.00 H ATOM 2699 HG3 LYS B 87 21.206 -2.549 -10.085 1.00 0.00 H ATOM 2700 HD2 LYS B 87 23.205 -3.825 -10.516 1.00 0.00 H ATOM 2701 HD3 LYS B 87 22.254 -5.253 -10.990 1.00 0.00 H ATOM 2702 HE2 LYS B 87 21.653 -2.733 -12.431 1.00 0.00 H ATOM 2703 HE3 LYS B 87 21.739 -4.407 -13.030 1.00 0.00 H ATOM 2704 HZ1 LYS B 87 24.045 -2.667 -12.397 1.00 0.00 H ATOM 2705 HZ2 LYS B 87 24.126 -4.264 -12.969 1.00 0.00 H ATOM 2706 HZ3 LYS B 87 23.467 -3.044 -13.949 1.00 0.00 H ATOM 2707 H LYS B 87 19.549 -5.525 -6.792 1.00 0.00 H ATOM 2708 N SER B 88 18.148 -2.664 -9.084 1.00 6.99 N ATOM 2709 CA SER B 88 16.862 -2.459 -9.722 1.00 7.29 C ATOM 2710 C SER B 88 16.818 -1.132 -10.451 1.00 8.02 C ATOM 2711 O SER B 88 16.920 -0.075 -9.796 1.00 8.34 O ATOM 2712 CB SER B 88 15.732 -2.402 -8.737 1.00 7.40 C ATOM 2713 OG SER B 88 14.521 -2.250 -9.464 1.00 9.42 O ATOM 2714 HA SER B 88 16.747 -3.307 -10.397 1.00 0.00 H ATOM 2715 HB2 SER B 88 15.869 -1.555 -8.065 1.00 0.00 H ATOM 2716 HB3 SER B 88 15.701 -3.323 -8.156 1.00 0.00 H ATOM 2717 HG SER B 88 14.557 -1.413 -9.992 1.00 0.00 H ATOM 2718 H SER B 88 18.788 -1.845 -9.044 1.00 0.00 H ATOM 2719 N GLY B 89 16.623 -1.162 -11.765 1.00 7.83 N ATOM 2720 CA GLY B 89 16.842 0.009 -12.600 1.00 10.14 C ATOM 2721 C GLY B 89 18.334 0.159 -12.908 1.00 11.99 C ATOM 2722 O GLY B 89 18.655 1.187 -13.547 1.00 11.87 O ATOM 2723 HA3 GLY B 89 16.490 0.898 -12.076 1.00 0.00 H ATOM 2724 HA2 GLY B 89 16.290 -0.104 -13.533 1.00 0.00 H ATOM 2725 OXT GLY B 89 19.188 -0.717 -12.517 1.00 11.65 O ATOM 2726 H GLY B 89 16.305 -2.047 -12.209 1.00 0.00 H TER 2727 GLY B 89 HETATM 2728 O HOH 1 15.447 6.538 6.965 1.00 2.00 O HETATM 2729 O HOH 2 4.349 12.314 -8.824 1.00 2.00 O HETATM 2730 O HOH 3 17.294 1.792 16.434 1.00 17.72 O HETATM 2731 O HOH 4 23.868 12.614 -2.892 1.00 8.42 O HETATM 2732 O HOH 5 3.942 16.268 6.969 1.00 2.00 O HETATM 2733 O HOH 6 2.510 -1.968 13.458 1.00 6.88 O HETATM 2734 O HOH 7 -1.322 -4.962 -2.123 1.00 13.22 O HETATM 2735 O HOH 8 -0.359 17.070 -6.763 1.00 2.00 O HETATM 2736 O HOH 9 3.370 -5.831 -7.858 1.00 2.00 O HETATM 2737 O HOH 10 8.113 -6.799 12.158 1.00 9.23 O HETATM 2738 O HOH 11 1.098 -8.357 9.523 1.00 9.92 O HETATM 2739 O HOH 12 -2.375 -4.670 13.067 1.00 7.32 O HETATM 2740 O HOH 13 3.538 7.824 -12.020 1.00 10.66 O HETATM 2741 O HOH 14 -7.226 -3.092 12.347 1.00 3.15 O HETATM 2742 O HOH 15 19.659 5.179 13.629 1.00 3.37 O HETATM 2743 O HOH 16 -3.251 15.442 0.005 1.00 8.42 O HETATM 2744 O HOH 17 10.068 -2.811 -15.521 1.00 4.35 O HETATM 2745 O HOH 18 5.009 20.311 -2.557 1.00 2.00 O HETATM 2746 O HOH 19 -5.172 8.089 5.599 1.00 19.47 O HETATM 2747 O HOH 20 10.627 18.078 -0.188 1.00 2.00 O HETATM 2748 O HOH 21 6.443 -12.526 -2.479 1.00 2.00 O HETATM 2749 O HOH 22 25.494 -12.128 -8.713 1.00 2.00 O HETATM 2750 O HOH 23 30.653 -15.932 -0.346 1.00 2.00 O HETATM 2751 O HOH 24 14.523 -6.470 7.055 1.00 7.51 O HETATM 2752 O HOH 25 33.751 -8.827 7.945 1.00 2.24 O HETATM 2753 O HOH 26 28.902 8.560 9.594 1.00 9.46 O HETATM 2754 O HOH 27 37.084 2.283 12.441 1.00 2.00 O HETATM 2755 O HOH 28 29.756 -12.537 -9.787 1.00 2.04 O HETATM 2756 O HOH 29 25.300 -19.904 -3.033 1.00 2.00 O HETATM 2757 O HOH 30 19.131 5.263 -12.834 1.00 19.36 O HETATM 2758 O HOH 31 24.606 -18.160 -4.791 1.00 5.15 O HETATM 2759 O HOH 32 34.077 -0.111 -6.099 1.00 13.85 O HETATM 2760 O HOH 33 21.271 0.952 -15.427 1.00 11.01 O HETATM 2761 O HOH 34 16.461 -15.017 -2.384 1.00 9.45 O HETATM 2762 O HOH 35 23.761 -2.592 -15.110 1.00 5.48 O HETATM 2763 O HOH 36 30.022 -14.937 6.948 1.00 3.68 O HETATM 2764 O HOH 37 16.143 -4.642 10.985 1.00 3.07 O HETATM 2765 O HOH 38 33.854 -0.929 -3.276 1.00 2.72 O HETATM 2766 O HOH 39 15.407 -13.164 -3.989 1.00 2.00 O HETATM 2767 O HOH 40 7.178 -6.723 -9.532 1.00 3.95 O HETATM 2768 O HOH 41 15.734 12.123 5.577 1.00 2.00 O HETATM 2769 O HOH 42 21.323 13.760 -3.986 1.00 2.00 O HETATM 2770 O HOH 43 25.418 8.481 -6.640 1.00 2.91 O HETATM 2771 O HOH 44 22.925 7.201 -9.872 1.00 10.49 O HETATM 2772 O HOH 45 20.250 8.909 -9.661 1.00 13.79 O HETATM 2773 O HOH 46 17.375 -6.332 12.662 1.00 5.35 O HETATM 2774 O HOH 47 4.913 -8.561 -6.514 1.00 2.65 O HETATM 2775 O HOH 48 11.860 -15.406 -4.962 1.00 11.09 O HETATM 2776 O HOH 49 10.621 -15.314 -7.960 1.00 2.00 O HETATM 2777 N PRO A 50 15.603 9.953 -16.389 1.00 0.24 N HETATM 2778 CA PRO A 50 14.720 10.589 -15.405 1.00 0.06 C HETATM 2779 C PRO A 50 14.974 10.085 -13.982 1.00 0.23 C HETATM 2780 O PRO A 50 14.124 9.345 -13.494 1.00 -0.39 O HETATM 2781 N PRO A 50 16.081 10.496 -13.315 1.00 -0.26 N HETATM 2782 CA PRO A 50 16.566 9.884 -12.029 1.00 0.16 C HETATM 2783 C PRO A 50 17.245 10.789 -11.019 1.00 0.21 C HETATM 2784 O PRO A 50 17.908 11.739 -11.446 1.00 -0.39 O HETATM 2785 N PRO A 50 17.111 10.452 -9.708 1.00 -0.26 N HETATM 2786 CA PRO A 50 17.715 11.166 -8.564 1.00 0.13 C HETATM 2787 C PRO A 50 18.291 10.246 -7.481 1.00 0.20 C HETATM 2788 O PRO A 50 17.750 9.187 -7.249 1.00 -0.39 O HETATM 2789 N PRO A 50 19.344 10.674 -6.782 1.00 -0.26 N HETATM 2790 CA PRO A 50 19.922 9.918 -5.688 1.00 0.14 C HETATM 2791 C PRO A 50 19.564 10.603 -4.442 1.00 0.21 C HETATM 2792 O PRO A 50 19.880 11.818 -4.284 1.00 -0.39 O HETATM 2793 N PRO A 50 19.006 9.859 -3.498 1.00 -0.26 N HETATM 2794 CA PRO A 50 18.615 10.529 -2.237 1.00 0.13 C HETATM 2795 C PRO A 50 18.951 9.602 -1.071 1.00 0.20 C HETATM 2796 O PRO A 50 18.794 8.399 -1.225 1.00 -0.39 O HETATM 2797 N PRO A 50 19.501 10.171 0.017 1.00 -0.26 N HETATM 2798 CA PRO A 50 19.522 9.538 1.364 1.00 0.13 C HETATM 2799 C PRO A 50 18.304 9.865 2.262 1.00 0.20 C HETATM 2800 O PRO A 50 17.780 10.997 2.269 1.00 -0.39 O HETATM 2801 N PRO A 50 17.872 8.853 3.019 1.00 -0.26 N HETATM 2802 CA PRO A 50 16.905 9.004 4.143 1.00 0.16 C HETATM 2803 C PRO A 50 17.606 8.691 5.439 1.00 0.21 C HETATM 2804 O PRO A 50 18.404 7.788 5.524 1.00 -0.39 O HETATM 2805 N PRO A 50 17.273 9.464 6.446 1.00 -0.26 N HETATM 2806 CA PRO A 50 17.665 9.307 7.888 1.00 0.15 C HETATM 2807 C PRO A 50 16.564 8.876 8.868 1.00 0.21 C HETATM 2808 O PRO A 50 15.440 9.360 8.777 1.00 -0.39 O HETATM 2809 N PRO A 50 16.876 8.004 9.832 1.00 -0.26 N HETATM 2810 CA PRO A 50 15.779 7.703 10.832 1.00 0.10 C HETATM 2811 C PRO A 50 15.231 8.936 11.524 1.00 0.06 C HETATM 2812 O PRO A 50 15.970 9.928 11.701 1.00 -0.57 O HETATM 2813 OXT PRO A 50 14.047 8.968 11.942 1.00 -0.57 O HETATM 2814 CB PRO A 50 16.440 6.791 11.869 1.00 -0.02 C HETATM 2815 CG PRO A 50 18.048 6.891 11.590 1.00 -0.03 C HETATM 2816 CD PRO A 50 18.117 7.222 10.072 1.00 0.04 C HETATM 2817 H63 PRO A 50 19.010 7.821 9.840 1.00 0.05 H HETATM 2818 H64 PRO A 50 18.125 6.302 9.469 1.00 0.05 H HETATM 2819 H61 PRO A 50 18.548 5.936 11.810 1.00 0.03 H HETATM 2820 H62 PRO A 50 18.505 7.691 12.191 1.00 0.03 H HETATM 2821 H59 PRO A 50 16.093 5.755 11.744 1.00 0.03 H HETATM 2822 H60 PRO A 50 16.206 7.136 12.887 1.00 0.03 H HETATM 2823 H58 PRO A 50 14.951 7.181 10.329 1.00 0.07 H HETATM 2824 CB PRO A 50 18.267 10.638 8.373 1.00 0.08 C HETATM 2825 OG PRO A 50 19.316 11.085 7.525 1.00 -0.39 O HETATM 2826 H57 PRO A 50 19.661 11.906 7.856 1.00 0.21 H HETATM 2827 H55 PRO A 50 18.666 10.499 9.389 1.00 0.06 H HETATM 2828 H56 PRO A 50 17.475 11.401 8.391 1.00 0.06 H HETATM 2829 H54 PRO A 50 18.446 8.534 7.926 1.00 0.08 H HETATM 2830 H53 PRO A 50 16.691 10.248 6.229 1.00 0.19 H HETATM 2831 CB PRO A 50 15.619 8.135 3.905 1.00 0.09 C HETATM 2832 OG1 PRO A 50 15.849 6.708 4.071 1.00 -0.39 O HETATM 2833 H49 PRO A 50 16.508 6.420 3.450 1.00 0.21 H HETATM 2834 CG2 PRO A 50 14.993 8.405 2.477 1.00 -0.03 C HETATM 2835 H50 PRO A 50 14.097 7.781 2.346 1.00 0.03 H HETATM 2836 H51 PRO A 50 15.731 8.155 1.700 1.00 0.03 H HETATM 2837 H52 PRO A 50 14.716 9.466 2.393 1.00 0.03 H HETATM 2838 H48 PRO A 50 14.879 8.440 4.660 1.00 0.06 H HETATM 2839 H47 PRO A 50 16.586 10.056 4.181 1.00 0.08 H HETATM 2840 H46 PRO A 50 18.219 7.937 2.819 1.00 0.19 H HETATM 2841 CB PRO A 50 20.791 9.917 2.114 1.00 -0.02 C HETATM 2842 H43 PRO A 50 20.787 9.440 3.105 1.00 0.03 H HETATM 2843 H44 PRO A 50 20.834 11.010 2.233 1.00 0.03 H HETATM 2844 H45 PRO A 50 21.669 9.575 1.546 1.00 0.03 H HETATM 2845 H42 PRO A 50 19.529 8.450 1.206 1.00 0.08 H HETATM 2846 H41 PRO A 50 19.921 11.073 -0.085 1.00 0.19 H HETATM 2847 CB PRO A 50 17.125 10.971 -2.204 1.00 -0.01 C HETATM 2848 CG1 PRO A 50 16.302 9.741 -2.078 1.00 -0.06 C HETATM 2849 H35 PRO A 50 15.237 10.014 -2.051 1.00 0.02 H HETATM 2850 H36 PRO A 50 16.569 9.215 -1.150 1.00 0.02 H HETATM 2851 H37 PRO A 50 16.491 9.084 -2.940 1.00 0.02 H HETATM 2852 CG2 PRO A 50 16.876 12.005 -1.072 1.00 -0.06 C HETATM 2853 H38 PRO A 50 17.517 12.884 -1.231 1.00 0.02 H HETATM 2854 H39 PRO A 50 17.114 11.549 -0.100 1.00 0.02 H HETATM 2855 H40 PRO A 50 15.820 12.314 -1.083 1.00 0.02 H HETATM 2856 H34 PRO A 50 16.877 11.457 -3.159 1.00 0.03 H HETATM 2857 H33 PRO A 50 19.225 11.439 -2.138 1.00 0.08 H HETATM 2858 H32 PRO A 50 18.854 8.880 -3.633 1.00 0.19 H HETATM 2859 CB PRO A 50 21.453 9.840 -5.747 1.00 0.04 C HETATM 2860 CG PRO A 50 21.950 9.094 -6.944 1.00 0.04 C HETATM 2861 OD1 PRO A 50 21.251 8.146 -7.374 1.00 -0.57 O HETATM 2862 OD2 PRO A 50 23.051 9.438 -7.460 1.00 -0.57 O HETATM 2863 H30 PRO A 50 21.814 9.331 -4.841 1.00 0.05 H HETATM 2864 H31 PRO A 50 21.856 10.863 -5.778 1.00 0.05 H HETATM 2865 H29 PRO A 50 19.509 8.899 -5.696 1.00 0.08 H HETATM 2866 H28 PRO A 50 19.752 11.554 -7.023 1.00 0.19 H HETATM 2867 CB PRO A 50 16.691 12.094 -7.898 1.00 -0.01 C HETATM 2868 CG PRO A 50 16.220 13.328 -8.700 1.00 -0.02 C HETATM 2869 CD PRO A 50 15.636 14.356 -7.698 1.00 0.06 C HETATM 2870 NE PRO A 50 15.556 15.695 -8.225 1.00 -0.27 N HETATM 2871 CZ PRO A 50 14.505 16.107 -8.943 1.00 0.29 C HETATM 2872 NH1 PRO A 50 13.480 15.252 -9.152 1.00 -0.28 N HETATM 2873 H24 PRO A 50 12.663 15.552 -9.702 1.00 0.26 H HETATM 2874 H25 PRO A 50 13.516 14.300 -8.761 1.00 0.26 H HETATM 2875 NH2 PRO A 50 14.450 17.360 -9.438 1.00 -0.28 N HETATM 2876 H26 PRO A 50 15.232 18.012 -9.278 1.00 0.26 H HETATM 2877 H27 PRO A 50 13.626 17.666 -9.976 1.00 0.26 H HETATM 2878 H23 PRO A 50 16.328 16.352 -8.044 1.00 0.26 H HETATM 2879 H21 PRO A 50 16.276 14.372 -6.804 1.00 0.07 H HETATM 2880 H22 PRO A 50 14.623 14.032 -7.418 1.00 0.07 H HETATM 2881 H19 PRO A 50 15.446 13.030 -9.423 1.00 0.03 H HETATM 2882 H20 PRO A 50 17.072 13.772 -9.236 1.00 0.03 H HETATM 2883 H17 PRO A 50 17.138 12.460 -6.962 1.00 0.03 H HETATM 2884 H18 PRO A 50 15.800 11.491 -7.668 1.00 0.03 H HETATM 2885 H16 PRO A 50 18.538 11.779 -8.959 1.00 0.08 H HETATM 2886 H15 PRO A 50 16.553 9.649 -9.500 1.00 0.19 H HETATM 2887 CB PRO A 50 17.594 8.783 -12.337 1.00 0.09 C HETATM 2888 OG1 PRO A 50 16.869 7.643 -12.779 1.00 -0.39 O HETATM 2889 H11 PRO A 50 17.477 6.941 -12.979 1.00 0.21 H HETATM 2890 CG2 PRO A 50 18.375 8.412 -11.118 1.00 -0.03 C HETATM 2891 H12 PRO A 50 19.099 7.624 -11.372 1.00 0.03 H HETATM 2892 H13 PRO A 50 17.689 8.043 -10.341 1.00 0.03 H HETATM 2893 H14 PRO A 50 18.911 9.296 -10.743 1.00 0.03 H HETATM 2894 H10 PRO A 50 18.282 9.126 -13.123 1.00 0.06 H HETATM 2895 H9 PRO A 50 15.688 9.437 -11.539 1.00 0.08 H HETATM 2896 H8 PRO A 50 16.608 11.253 -13.702 1.00 0.19 H HETATM 2897 CB PRO A 50 13.239 10.370 -15.865 1.00 -0.00 C HETATM 2898 H5 PRO A 50 12.557 10.839 -15.141 1.00 0.03 H HETATM 2899 H6 PRO A 50 13.028 9.292 -15.922 1.00 0.03 H HETATM 2900 H7 PRO A 50 13.092 10.825 -16.856 1.00 0.03 H HETATM 2901 H4 PRO A 50 14.923 11.670 -15.410 1.00 0.11 H HETATM 2902 H1 PRO A 50 15.399 10.316 -17.307 1.00 0.20 H HETATM 2903 H2 PRO A 50 15.453 8.956 -16.380 1.00 0.20 H HETATM 2904 H3 PRO A 50 16.564 10.150 -16.156 1.00 0.20 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 1371 1372 1379 1380 1381 CONECT 1379 1371 CONECT 1380 1371 CONECT 1381 1371 CONECT 2777 2778 2902 2903 2904 CONECT 2778 2777 2779 2897 2901 CONECT 2779 2778 2780 2781 CONECT 2780 2779 CONECT 2781 2779 2782 2896 CONECT 2782 2781 2783 2887 2895 CONECT 2783 2782 2784 2785 CONECT 2784 2783 CONECT 2785 2783 2786 2886 CONECT 2786 2785 2787 2867 2885 CONECT 2787 2786 2788 2789 CONECT 2788 2787 CONECT 2789 2787 2790 2866 CONECT 2790 2789 2791 2859 2865 CONECT 2791 2790 2792 2793 CONECT 2792 2791 CONECT 2793 2791 2794 2858 CONECT 2794 2793 2795 2847 2857 CONECT 2795 2794 2796 2797 CONECT 2796 2795 CONECT 2797 2795 2798 2846 CONECT 2798 2797 2799 2841 2845 CONECT 2799 2798 2800 2801 CONECT 2800 2799 CONECT 2801 2799 2802 2840 CONECT 2802 2801 2803 2831 2839 CONECT 2803 2802 2804 2805 CONECT 2804 2803 CONECT 2805 2803 2806 2830 CONECT 2806 2805 2807 2824 2829 CONECT 2807 2806 2808 2809 CONECT 2808 2807 CONECT 2809 2807 2810 2816 CONECT 2810 2809 2811 2814 2823 CONECT 2811 2810 2812 2813 CONECT 2812 2811 CONECT 2813 2811 CONECT 2814 2810 2815 2821 2822 CONECT 2815 2814 2816 2819 2820 CONECT 2816 2809 2815 2817 2818 CONECT 2817 2816 CONECT 2818 2816 CONECT 2819 2815 CONECT 2820 2815 CONECT 2821 2814 CONECT 2822 2814 CONECT 2823 2810 CONECT 2824 2806 2825 2827 2828 CONECT 2825 2824 2826 CONECT 2826 2825 CONECT 2827 2824 CONECT 2828 2824 CONECT 2829 2806 CONECT 2830 2805 CONECT 2831 2802 2832 2834 2838 CONECT 2832 2831 2833 CONECT 2833 2832 CONECT 2834 2831 2835 2836 2837 CONECT 2835 2834 CONECT 2836 2834 CONECT 2837 2834 CONECT 2838 2831 CONECT 2839 2802 CONECT 2840 2801 CONECT 2841 2798 2842 2843 2844 CONECT 2842 2841 CONECT 2843 2841 CONECT 2844 2841 CONECT 2845 2798 CONECT 2846 2797 CONECT 2847 2794 2848 2852 2856 CONECT 2848 2847 2849 2850 2851 CONECT 2849 2848 CONECT 2850 2848 CONECT 2851 2848 CONECT 2852 2847 2853 2854 2855 CONECT 2853 2852 CONECT 2854 2852 CONECT 2855 2852 CONECT 2856 2847 CONECT 2857 2794 CONECT 2858 2793 CONECT 2859 2790 2860 2863 2864 CONECT 2860 2859 2861 2862 CONECT 2861 2860 CONECT 2862 2860 CONECT 2863 2859 CONECT 2864 2859 CONECT 2865 2790 CONECT 2866 2789 CONECT 2867 2786 2868 2883 2884 CONECT 2868 2867 2869 2881 2882 CONECT 2869 2868 2870 2879 2880 CONECT 2870 2869 2871 2878 CONECT 2871 2870 2872 2875 CONECT 2872 2871 2873 2874 CONECT 2873 2872 CONECT 2874 2872 CONECT 2875 2871 2876 2877 CONECT 2876 2875 CONECT 2877 2875 CONECT 2878 2870 CONECT 2879 2869 CONECT 2880 2869 CONECT 2881 2868 CONECT 2882 2868 CONECT 2883 2867 CONECT 2884 2867 CONECT 2885 2786 CONECT 2886 2785 CONECT 2887 2782 2888 2890 2894 CONECT 2888 2887 2889 CONECT 2889 2888 CONECT 2890 2887 2891 2892 2893 CONECT 2891 2890 CONECT 2892 2890 CONECT 2893 2890 CONECT 2894 2887 CONECT 2895 2782 CONECT 2896 2781 CONECT 2897 2778 2898 2899 2900 CONECT 2898 2897 CONECT 2899 2897 CONECT 2900 2897 CONECT 2901 2778 CONECT 2902 2777 CONECT 2903 2777 CONECT 2904 2777 MASTER 0 0 0 0 0 0 0 0 2902 2 136 14 END
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Entry Information
PDB ID
3dvp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Dynein light chain 1, cytoplasmic
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.01mM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 27314-27324
Ligand Properties
Formula
C
3
7
H
6
6
N
1
2
O
1
5
Molecular Weight
918.991
Exact Mass
918.477
No. of atoms
130
No. of bonds
130
Polar Surface Area
452.95
LOGP Value
-3.68 (
Computed with XLOGP3
)
-5.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CC(=O)O)C
InChI String
InChI=1S/C37H64N12O15/c1-15(2)25(32(59)42-17(4)29(56)48-27(19(6)52)34(61)45-22(14-50)35(62)49-12-8-10-23(49)36(63)64)46-31(58)21(13-24(53)54)44-30(57)20(9-7-11-41-37(39)40)43-33(60)26(18(5)51)47-28(55)16(3)38/h15-23,25-27,50-52H,7-14,38H2,1-6H3,(H,42,59)(H,43,60)(H,44,57)(H,45,61)(H,46,58)(H,47,55)(H,48,56)(H,53,54)(H,63,64)(H4,39,40,41)/p+2/t16-,17-,18+,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1
Links to External Databases
RCSB PDB
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q24117
Q13153
Entrez Gene ID
NCBI Entrez Gene ID:
31405
5058
ASD
Information of known allosteric effects of PDB entries
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