Browse entries in the PDBbind-CN Database
HEADER 6HGY_COMPLEX COMPND 6HGY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 215 ALA PRO ASP SER VAL ASP TYR ARG LYS LYS GLY TYR VAL SEQRES 2 A 215 THR PRO VAL LYS ASN GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 A 215 ALA PHE SER SER VAL GLY ALA LEU GLU GLY GLN LEU LYS SEQRES 4 A 215 LYS LYS THR GLY LYS LEU LEU ASN LEU SER PRO GLN ASN SEQRES 5 A 215 LEU VAL ASP CYS VAL SER GLU ASN ASP GLY CYS GLY GLY SEQRES 6 A 215 GLY TYR MET THR ASN ALA PHE GLN TYR VAL GLN LYS ASN SEQRES 7 A 215 ARG GLY ILE ASP SER GLU ASP ALA TYR PRO TYR VAL GLY SEQRES 8 A 215 GLN GLU GLU SER CYS MET TYR ASN PRO THR GLY LYS ALA SEQRES 9 A 215 ALA LYS CYS ARG GLY TYR ARG GLU ILE PRO GLU GLY ASN SEQRES 10 A 215 GLU LYS ALA LEU LYS ARG ALA VAL ALA ARG VAL GLY PRO SEQRES 11 A 215 VAL SER VAL ALA ILE ASP ALA SER LEU THR SER PHE GLN SEQRES 12 A 215 PHE TYR SER LYS GLY VAL TYR TYR ASP GLU SER CYS ASN SEQRES 13 A 215 SER ASP ASN LEU ASN HIS ALA VAL LEU ALA VAL GLY TYR SEQRES 14 A 215 GLY ILE GLN LYS GLY ASN LYS HIS TRP ILE ILE LYS ASN SEQRES 15 A 215 SER TRP GLY GLU ASN TRP GLY ASN LYS GLY TYR ILE LEU SEQRES 16 A 215 MET ALA ARG ASN LYS ASN ASN ALA CYS GLY ILE ALA ASN SEQRES 17 A 215 LEU ALA SER PHE PRO LYS MET HET G A 4B 118 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 56 CYS A 96 SSBOND 3 CYS A 155 CYS A 204 ATOM 1 N ALA A 1 -20.086 14.002 15.328 1.00 60.92 N ATOM 2 CA ALA A 1 -18.840 13.905 14.487 1.00 57.77 C ATOM 3 C ALA A 1 -19.089 14.362 13.035 1.00 58.06 C ATOM 4 O ALA A 1 -20.252 14.454 12.628 1.00 59.91 O ATOM 5 CB ALA A 1 -18.289 12.478 14.512 1.00 54.44 C ATOM 6 HN3 ALA A 1 -20.827 13.398 14.918 1.00 0.00 H ATOM 7 HN2 ALA A 1 -20.413 14.989 15.348 1.00 0.00 H ATOM 8 HN1 ALA A 1 -19.875 13.686 16.296 1.00 0.00 H ATOM 9 N PRO A 2 -18.012 14.650 12.252 1.00 56.93 N ATOM 10 CA PRO A 2 -18.198 14.971 10.819 1.00 57.34 C ATOM 11 C PRO A 2 -18.692 13.791 9.976 1.00 56.15 C ATOM 12 O PRO A 2 -18.602 12.641 10.405 1.00 53.07 O ATOM 13 CB PRO A 2 -16.791 15.389 10.351 1.00 55.83 C ATOM 14 CG PRO A 2 -16.012 15.646 11.588 1.00 56.08 C ATOM 15 CD PRO A 2 -16.589 14.746 12.634 1.00 55.54 C ATOM 16 N ASP A 3 -19.200 14.099 8.786 1.00 59.13 N ATOM 17 CA ASP A 3 -19.625 13.077 7.814 1.00 57.96 C ATOM 18 C ASP A 3 -18.419 12.451 7.100 1.00 55.08 C ATOM 19 O ASP A 3 -18.383 11.231 6.914 1.00 52.22 O ATOM 20 CB ASP A 3 -20.611 13.668 6.795 1.00 61.29 C ATOM 21 CG ASP A 3 -21.887 14.228 7.445 1.00 64.82 C ATOM 22 OD1 ASP A 3 -22.139 13.973 8.646 1.00 64.66 O ATOM 23 OD2 ASP A 3 -22.643 14.936 6.744 1.00 66.61 O ATOM 24 H ASP A 3 -19.301 15.102 8.531 1.00 0.00 H ATOM 25 N SER A 4 -17.453 13.296 6.715 1.00 55.06 N ATOM 26 CA SER A 4 -16.198 12.897 6.055 1.00 51.56 C ATOM 27 C SER A 4 -15.009 13.062 7.009 1.00 49.91 C ATOM 28 O SER A 4 -14.907 14.092 7.685 1.00 49.31 O ATOM 29 CB SER A 4 -15.977 13.761 4.803 1.00 53.08 C ATOM 30 OG SER A 4 -14.671 13.611 4.263 1.00 51.31 O ATOM 31 HG SER A 4 -14.579 14.185 3.462 1.00 0.00 H ATOM 32 H SER A 4 -17.600 14.310 6.896 1.00 0.00 H ATOM 33 N VAL A 5 -14.133 12.045 7.059 1.00 46.62 N ATOM 34 CA VAL A 5 -12.816 12.111 7.740 1.00 45.65 C ATOM 35 C VAL A 5 -11.764 11.389 6.881 1.00 43.88 C ATOM 36 O VAL A 5 -12.013 10.278 6.406 1.00 41.47 O ATOM 37 CB VAL A 5 -12.875 11.498 9.169 1.00 45.31 C ATOM 38 CG1 VAL A 5 -11.487 11.305 9.791 1.00 44.11 C ATOM 39 CG2 VAL A 5 -13.711 12.389 10.080 1.00 48.49 C ATOM 40 H VAL A 5 -14.394 11.154 6.590 1.00 0.00 H ATOM 41 N ASP A 6 -10.595 12.016 6.709 1.00 44.04 N ATOM 42 CA ASP A 6 -9.497 11.457 5.904 1.00 42.69 C ATOM 43 C ASP A 6 -8.140 12.042 6.348 1.00 42.99 C ATOM 44 O ASP A 6 -7.670 13.059 5.820 1.00 43.96 O ATOM 45 CB ASP A 6 -9.767 11.688 4.394 1.00 44.82 C ATOM 46 CG ASP A 6 -9.082 10.654 3.486 1.00 43.85 C ATOM 47 OD1 ASP A 6 -8.101 9.982 3.897 1.00 41.57 O ATOM 48 OD2 ASP A 6 -9.545 10.514 2.332 1.00 43.86 O ATOM 49 H ASP A 6 -10.456 12.940 7.165 1.00 0.00 H ATOM 50 N TYR A 7 -7.521 11.381 7.327 1.00 42.12 N ATOM 51 CA TYR A 7 -6.225 11.819 7.888 1.00 42.07 C ATOM 52 C TYR A 7 -5.004 11.661 6.952 1.00 39.41 C ATOM 53 O TYR A 7 -3.947 12.214 7.253 1.00 40.92 O ATOM 54 CB TYR A 7 -5.967 11.157 9.257 1.00 42.23 C ATOM 55 CG TYR A 7 -6.737 11.800 10.391 1.00 44.08 C ATOM 56 CD1 TYR A 7 -8.045 11.396 10.702 1.00 46.14 C ATOM 57 CD2 TYR A 7 -6.164 12.821 11.160 1.00 45.05 C ATOM 58 CE1 TYR A 7 -8.755 11.991 11.750 1.00 46.22 C ATOM 59 CE2 TYR A 7 -6.864 13.420 12.209 1.00 46.32 C ATOM 60 CZ TYR A 7 -8.159 13.003 12.501 1.00 46.95 C ATOM 61 OH TYR A 7 -8.856 13.589 13.533 1.00 50.19 O ATOM 62 HH TYR A 7 -9.753 13.175 13.601 1.00 0.00 H ATOM 63 H TYR A 7 -7.967 10.524 7.711 1.00 0.00 H ATOM 64 N ARG A 8 -5.152 10.946 5.832 1.00 36.72 N ATOM 65 CA ARG A 8 -4.179 11.001 4.716 1.00 37.83 C ATOM 66 C ARG A 8 -4.012 12.424 4.148 1.00 40.78 C ATOM 67 O ARG A 8 -2.907 12.817 3.778 1.00 41.58 O ATOM 68 CB ARG A 8 -4.589 10.077 3.562 1.00 37.62 C ATOM 69 CG ARG A 8 -4.622 8.590 3.900 1.00 35.82 C ATOM 70 CD ARG A 8 -5.183 7.741 2.769 1.00 36.27 C ATOM 71 NE ARG A 8 -6.540 8.110 2.329 1.00 36.64 N ATOM 72 CZ ARG A 8 -7.295 7.415 1.465 1.00 36.08 C ATOM 73 NH1 ARG A 8 -6.865 6.273 0.908 1.00 35.27 N ATOM 74 NH2 ARG A 8 -8.515 7.865 1.154 1.00 36.68 N ATOM 75 HE ARG A 8 -6.947 8.983 2.721 1.00 0.00 H ATOM 76 HH12 ARG A 8 -7.475 5.758 0.242 1.00 0.00 H ATOM 77 HH11 ARG A 8 -5.922 5.903 1.143 1.00 0.00 H ATOM 78 HH22 ARG A 8 -9.110 7.335 0.485 1.00 0.00 H ATOM 79 HH21 ARG A 8 -8.869 8.745 1.581 1.00 0.00 H ATOM 80 H ARG A 8 -5.983 10.327 5.741 1.00 0.00 H ATOM 81 N LYS A 9 -5.110 13.180 4.090 1.00 43.02 N ATOM 82 CA LYS A 9 -5.095 14.575 3.613 1.00 46.79 C ATOM 83 C LYS A 9 -4.472 15.582 4.594 1.00 48.82 C ATOM 84 O LYS A 9 -4.087 16.671 4.172 1.00 50.74 O ATOM 85 CB LYS A 9 -6.505 15.018 3.213 1.00 47.80 C ATOM 86 CG LYS A 9 -7.078 14.182 2.077 1.00 47.58 C ATOM 87 CD LYS A 9 -8.370 14.766 1.530 1.00 50.35 C ATOM 88 CE LYS A 9 -8.701 14.191 0.165 1.00 50.21 C ATOM 89 NZ LYS A 9 -9.955 14.779 -0.374 1.00 52.05 N ATOM 90 HZ1 LYS A 9 -10.741 14.571 0.275 1.00 0.00 H ATOM 91 HZ2 LYS A 9 -9.842 15.809 -0.465 1.00 0.00 H ATOM 92 HZ3 LYS A 9 -10.156 14.367 -1.308 1.00 0.00 H ATOM 93 H LYS A 9 -6.015 12.768 4.394 1.00 0.00 H ATOM 94 N LYS A 10 -4.402 15.223 5.884 1.00 49.73 N ATOM 95 CA LYS A 10 -3.668 15.982 6.928 1.00 51.66 C ATOM 96 C LYS A 10 -2.197 15.541 7.163 1.00 50.04 C ATOM 97 O LYS A 10 -1.541 16.055 8.074 1.00 51.75 O ATOM 98 CB LYS A 10 -4.465 15.951 8.251 1.00 52.80 C ATOM 99 CG LYS A 10 -5.776 16.735 8.186 1.00 55.76 C ATOM 100 CD LYS A 10 -6.949 16.015 8.839 1.00 55.45 C ATOM 101 CE LYS A 10 -8.267 16.682 8.468 1.00 58.65 C ATOM 102 NZ LYS A 10 -9.441 15.989 9.063 1.00 57.80 N ATOM 103 HZ1 LYS A 10 -9.471 15.007 8.723 1.00 0.00 H ATOM 104 HZ2 LYS A 10 -9.358 15.996 10.100 1.00 0.00 H ATOM 105 HZ3 LYS A 10 -10.312 16.481 8.781 1.00 0.00 H ATOM 106 H LYS A 10 -4.895 14.354 6.173 1.00 0.00 H ATOM 107 N GLY A 11 -1.683 14.617 6.346 1.00 48.11 N ATOM 108 CA GLY A 11 -0.286 14.189 6.405 1.00 47.37 C ATOM 109 C GLY A 11 0.080 13.214 7.514 1.00 46.45 C ATOM 110 O GLY A 11 1.258 13.059 7.809 1.00 46.92 O ATOM 111 H GLY A 11 -2.305 14.182 5.635 1.00 0.00 H ATOM 112 N TYR A 12 -0.911 12.545 8.106 1.00 44.28 N ATOM 113 CA TYR A 12 -0.697 11.619 9.238 1.00 42.77 C ATOM 114 C TYR A 12 -0.170 10.253 8.783 1.00 40.34 C ATOM 115 O TYR A 12 0.494 9.560 9.554 1.00 37.51 O ATOM 116 CB TYR A 12 -2.003 11.381 10.024 1.00 42.96 C ATOM 117 CG TYR A 12 -2.462 12.514 10.932 1.00 43.91 C ATOM 118 CD1 TYR A 12 -2.484 13.852 10.492 1.00 46.77 C ATOM 119 CD2 TYR A 12 -2.918 12.248 12.235 1.00 42.86 C ATOM 120 CE1 TYR A 12 -2.912 14.888 11.324 1.00 48.72 C ATOM 121 CE2 TYR A 12 -3.357 13.275 13.071 1.00 45.65 C ATOM 122 CZ TYR A 12 -3.349 14.595 12.614 1.00 48.50 C ATOM 123 OH TYR A 12 -3.779 15.616 13.426 1.00 49.99 O ATOM 124 HH TYR A 12 -3.704 16.476 12.941 1.00 0.00 H ATOM 125 H TYR A 12 -1.880 12.682 7.754 1.00 0.00 H ATOM 126 N VAL A 13 -0.480 9.881 7.539 1.00 40.02 N ATOM 127 CA VAL A 13 -0.377 8.517 7.049 1.00 37.78 C ATOM 128 C VAL A 13 0.852 8.410 6.140 1.00 36.91 C ATOM 129 O VAL A 13 1.027 9.206 5.209 1.00 39.12 O ATOM 130 CB VAL A 13 -1.668 8.119 6.286 1.00 40.00 C ATOM 131 CG1 VAL A 13 -1.676 6.634 5.941 1.00 39.66 C ATOM 132 CG2 VAL A 13 -2.912 8.443 7.114 1.00 41.56 C ATOM 133 H VAL A 13 -0.816 10.612 6.880 1.00 0.00 H ATOM 134 N THR A 14 1.690 7.417 6.422 1.00 33.82 N ATOM 135 CA THR A 14 2.883 7.113 5.630 1.00 33.65 C ATOM 136 C THR A 14 2.470 6.240 4.431 1.00 33.10 C ATOM 137 O THR A 14 1.321 5.798 4.376 1.00 30.44 O ATOM 138 CB THR A 14 3.942 6.386 6.496 1.00 32.37 C ATOM 139 OG1 THR A 14 3.443 5.112 6.932 1.00 31.13 O ATOM 140 CG2 THR A 14 4.333 7.228 7.712 1.00 32.37 C ATOM 141 HG1 THR A 14 2.623 5.247 7.470 1.00 0.00 H ATOM 142 H THR A 14 1.487 6.823 7.251 1.00 0.00 H ATOM 143 N PRO A 15 3.391 5.980 3.468 1.00 36.47 N ATOM 144 CA PRO A 15 3.080 5.053 2.365 1.00 37.95 C ATOM 145 C PRO A 15 2.683 3.637 2.776 1.00 37.74 C ATOM 146 O PRO A 15 2.928 3.205 3.913 1.00 37.05 O ATOM 147 CB PRO A 15 4.390 5.007 1.565 1.00 39.77 C ATOM 148 CG PRO A 15 4.975 6.351 1.776 1.00 41.61 C ATOM 149 CD PRO A 15 4.674 6.668 3.214 1.00 39.19 C ATOM 150 N VAL A 16 2.090 2.928 1.824 1.00 38.18 N ATOM 151 CA VAL A 16 1.636 1.565 2.036 1.00 37.33 C ATOM 152 C VAL A 16 2.884 0.697 2.046 1.00 36.74 C ATOM 153 O VAL A 16 3.605 0.642 1.046 1.00 37.20 O ATOM 154 CB VAL A 16 0.647 1.107 0.946 1.00 39.24 C ATOM 155 CG1 VAL A 16 0.256 -0.361 1.120 1.00 39.72 C ATOM 156 CG2 VAL A 16 -0.593 1.988 0.992 1.00 39.72 C ATOM 157 H VAL A 16 1.945 3.365 0.891 1.00 0.00 H ATOM 158 N LYS A 17 3.125 0.051 3.187 1.00 33.59 N ATOM 159 CA LYS A 17 4.228 -0.885 3.347 1.00 34.59 C ATOM 160 C LYS A 17 3.777 -2.254 2.879 1.00 33.79 C ATOM 161 O LYS A 17 2.600 -2.459 2.553 1.00 33.57 O ATOM 162 CB LYS A 17 4.685 -0.964 4.811 1.00 34.69 C ATOM 163 CG LYS A 17 5.005 0.371 5.474 1.00 35.45 C ATOM 164 CD LYS A 17 6.021 1.199 4.698 1.00 34.75 C ATOM 165 CE LYS A 17 6.466 2.411 5.493 1.00 35.41 C ATOM 166 NZ LYS A 17 5.344 3.342 5.838 1.00 34.70 N ATOM 167 HZ1 LYS A 17 4.900 3.688 4.963 1.00 0.00 H ATOM 168 HZ2 LYS A 17 4.638 2.835 6.409 1.00 0.00 H ATOM 169 HZ3 LYS A 17 5.717 4.147 6.380 1.00 0.00 H ATOM 170 H LYS A 17 2.497 0.223 3.998 1.00 0.00 H ATOM 171 N ASN A 18 4.737 -3.174 2.839 1.00 33.55 N ATOM 172 CA ASN A 18 4.503 -4.571 2.500 1.00 33.50 C ATOM 173 C ASN A 18 5.124 -5.442 3.585 1.00 31.82 C ATOM 174 O ASN A 18 6.343 -5.472 3.730 1.00 31.63 O ATOM 175 CB ASN A 18 5.096 -4.886 1.126 1.00 35.40 C ATOM 176 CG ASN A 18 4.587 -6.206 0.556 1.00 36.78 C ATOM 177 OD1 ASN A 18 4.568 -7.228 1.250 1.00 35.66 O ATOM 178 ND2 ASN A 18 4.162 -6.190 -0.706 1.00 37.01 N ATOM 179 HD22 ASN A 18 4.196 -5.307 -1.255 1.00 0.00 H ATOM 180 HD21 ASN A 18 3.797 -7.060 -1.143 1.00 0.00 H ATOM 181 H ASN A 18 5.709 -2.879 3.062 1.00 0.00 H ATOM 182 N GLN A 19 4.275 -6.134 4.344 1.00 31.63 N ATOM 183 CA GLN A 19 4.731 -7.116 5.343 1.00 32.02 C ATOM 184 C GLN A 19 5.421 -8.353 4.755 1.00 34.95 C ATOM 185 O GLN A 19 6.307 -8.919 5.407 1.00 37.42 O ATOM 186 CB GLN A 19 3.585 -7.523 6.285 1.00 30.54 C ATOM 187 CG GLN A 19 2.493 -8.395 5.686 1.00 31.50 C ATOM 188 CD GLN A 19 1.304 -8.535 6.616 1.00 30.87 C ATOM 189 OE1 GLN A 19 0.447 -7.650 6.676 1.00 29.47 O ATOM 190 NE2 GLN A 19 1.243 -9.652 7.354 1.00 32.22 N ATOM 191 HE22 GLN A 19 1.989 -10.372 7.270 1.00 0.00 H ATOM 192 HE21 GLN A 19 0.450 -9.799 8.010 1.00 0.00 H ATOM 193 H GLN A 19 3.254 -5.975 4.227 1.00 0.00 H ATOM 194 N GLY A 20 5.029 -8.759 3.543 1.00 35.81 N ATOM 195 CA GLY A 20 5.578 -9.952 2.891 1.00 37.74 C ATOM 196 C GLY A 20 4.941 -11.218 3.434 1.00 38.99 C ATOM 197 O GLY A 20 3.767 -11.215 3.826 1.00 37.68 O ATOM 198 H GLY A 20 4.305 -8.206 3.042 1.00 0.00 H ATOM 199 N GLN A 21 5.714 -12.303 3.438 1.00 43.11 N ATOM 200 CA GLN A 21 5.260 -13.610 3.958 1.00 44.76 C ATOM 201 C GLN A 21 5.128 -13.661 5.482 1.00 45.47 C ATOM 202 O GLN A 21 4.254 -14.369 5.995 1.00 47.05 O ATOM 203 CB GLN A 21 6.195 -14.733 3.488 1.00 47.34 C ATOM 204 CG GLN A 21 6.205 -14.945 1.986 1.00 48.40 C ATOM 205 CD GLN A 21 4.846 -15.387 1.459 1.00 49.30 C ATOM 206 OE1 GLN A 21 4.306 -16.403 1.902 1.00 51.34 O ATOM 207 NE2 GLN A 21 4.276 -14.620 0.531 1.00 48.20 N ATOM 208 HE22 GLN A 21 4.767 -13.771 0.185 1.00 0.00 H ATOM 209 HE21 GLN A 21 3.340 -14.870 0.153 1.00 0.00 H ATOM 210 H GLN A 21 6.679 -12.227 3.059 1.00 0.00 H ATOM 211 N CYS A 22 6.008 -12.938 6.184 1.00 45.30 N ATOM 212 CA CYS A 22 5.949 -12.749 7.648 1.00 43.37 C ATOM 213 C CYS A 22 4.599 -12.177 8.090 1.00 41.09 C ATOM 214 O CYS A 22 4.153 -11.157 7.555 1.00 41.29 O ATOM 215 CB CYS A 22 7.096 -11.829 8.106 1.00 43.26 C ATOM 216 SG CYS A 22 7.091 -11.266 9.829 1.00 42.32 S ATOM 217 H CYS A 22 6.784 -12.479 5.665 1.00 0.00 H ATOM 218 N GLY A 23 3.952 -12.840 9.052 1.00 40.16 N ATOM 219 CA GLY A 23 2.671 -12.391 9.604 1.00 39.25 C ATOM 220 C GLY A 23 2.856 -11.380 10.720 1.00 37.18 C ATOM 221 O GLY A 23 2.468 -11.635 11.864 1.00 38.01 O ATOM 222 H GLY A 23 4.376 -13.713 9.426 1.00 0.00 H ATOM 223 N SER A 24 3.412 -10.221 10.363 1.00 34.30 N ATOM 224 CA SER A 24 3.683 -9.113 11.279 1.00 32.24 C ATOM 225 C SER A 24 2.664 -8.003 11.034 1.00 30.98 C ATOM 226 O SER A 24 3.012 -6.823 11.044 1.00 28.16 O ATOM 227 CB SER A 24 5.106 -8.585 11.047 1.00 32.89 C ATOM 228 OG SER A 24 5.300 -8.202 9.684 1.00 31.90 O ATOM 229 HG SER A 24 6.224 -7.867 9.565 1.00 0.00 H ATOM 230 H SER A 24 3.671 -10.096 9.363 1.00 0.00 H ATOM 231 N CYS A 25 1.395 -8.384 10.869 1.00 30.51 N ATOM 232 CA CYS A 25 0.328 -7.458 10.479 1.00 27.91 C ATOM 233 C CYS A 25 0.045 -6.476 11.616 1.00 26.38 C ATOM 234 O CYS A 25 -0.022 -5.256 11.400 1.00 24.67 O ATOM 235 CB CYS A 25 -0.953 -8.215 10.081 1.00 29.00 C ATOM 236 SG CYS A 25 -1.555 -9.343 11.311 1.00 32.61 S ATOM 237 H CYS A 25 1.153 -9.383 11.024 1.00 0.00 H ATOM 238 N TRP A 26 -0.115 -7.040 12.817 1.00 25.60 N ATOM 239 CA TRP A 26 -0.164 -6.287 14.088 1.00 25.17 C ATOM 240 C TRP A 26 0.906 -5.194 14.251 1.00 23.31 C ATOM 241 O TRP A 26 0.606 -4.125 14.759 1.00 22.23 O ATOM 242 CB TRP A 26 -0.108 -7.259 15.286 1.00 26.59 C ATOM 243 CG TRP A 26 1.135 -8.100 15.356 1.00 27.55 C ATOM 244 CD1 TRP A 26 1.306 -9.360 14.860 1.00 28.98 C ATOM 245 CD2 TRP A 26 2.379 -7.734 15.955 1.00 28.33 C ATOM 246 NE1 TRP A 26 2.584 -9.799 15.103 1.00 30.00 N ATOM 247 CE2 TRP A 26 3.268 -8.823 15.775 1.00 29.94 C ATOM 248 CE3 TRP A 26 2.838 -6.584 16.620 1.00 27.75 C ATOM 249 CZ2 TRP A 26 4.592 -8.805 16.254 1.00 30.76 C ATOM 250 CZ3 TRP A 26 4.160 -6.556 17.085 1.00 28.88 C ATOM 251 CH2 TRP A 26 5.017 -7.669 16.905 1.00 30.40 C ATOM 252 HE1 TRP A 26 2.969 -10.723 14.822 1.00 0.00 H ATOM 253 H TRP A 26 -0.211 -8.075 12.860 1.00 0.00 H ATOM 254 N ALA A 27 2.134 -5.476 13.808 1.00 24.44 N ATOM 255 CA ALA A 27 3.254 -4.526 13.893 1.00 24.75 C ATOM 256 C ALA A 27 3.076 -3.376 12.911 1.00 24.04 C ATOM 257 O ALA A 27 3.338 -2.216 13.267 1.00 23.30 O ATOM 258 CB ALA A 27 4.583 -5.224 13.644 1.00 26.13 C ATOM 259 H ALA A 27 2.306 -6.410 13.384 1.00 0.00 H ATOM 260 N PHE A 28 2.639 -3.705 11.690 1.00 23.57 N ATOM 261 CA PHE A 28 2.275 -2.686 10.687 1.00 24.96 C ATOM 262 C PHE A 28 1.058 -1.830 11.087 1.00 26.01 C ATOM 263 O PHE A 28 1.089 -0.615 10.927 1.00 27.82 O ATOM 264 CB PHE A 28 2.138 -3.307 9.291 1.00 23.82 C ATOM 265 CG PHE A 28 3.466 -3.597 8.654 1.00 23.57 C ATOM 266 CD1 PHE A 28 4.209 -2.568 8.070 1.00 23.42 C ATOM 267 CD2 PHE A 28 4.008 -4.877 8.681 1.00 24.03 C ATOM 268 CE1 PHE A 28 5.453 -2.820 7.499 1.00 24.01 C ATOM 269 CE2 PHE A 28 5.252 -5.135 8.122 1.00 25.05 C ATOM 270 CZ PHE A 28 5.976 -4.104 7.519 1.00 25.20 C ATOM 271 H PHE A 28 2.553 -4.711 11.440 1.00 0.00 H ATOM 272 N SER A 29 0.030 -2.464 11.648 1.00 27.64 N ATOM 273 CA SER A 29 -1.107 -1.758 12.278 1.00 27.34 C ATOM 274 C SER A 29 -0.678 -0.816 13.414 1.00 28.31 C ATOM 275 O SER A 29 -1.131 0.333 13.478 1.00 30.74 O ATOM 276 CB SER A 29 -2.109 -2.780 12.834 1.00 27.77 C ATOM 277 OG SER A 29 -3.241 -2.165 13.423 1.00 25.90 O ATOM 278 HG SER A 29 -3.709 -1.618 12.744 1.00 0.00 H ATOM 279 H SER A 29 0.026 -3.504 11.643 1.00 0.00 H ATOM 280 N SER A 30 0.178 -1.321 14.307 1.00 27.46 N ATOM 281 CA SER A 30 0.656 -0.564 15.473 1.00 26.42 C ATOM 282 C SER A 30 1.474 0.655 15.083 1.00 25.93 C ATOM 283 O SER A 30 1.223 1.756 15.568 1.00 27.70 O ATOM 284 CB SER A 30 1.498 -1.448 16.378 1.00 26.72 C ATOM 285 OG SER A 30 0.718 -2.496 16.901 1.00 28.05 O ATOM 286 HG SER A 30 0.360 -3.042 16.157 1.00 0.00 H ATOM 287 H SER A 30 0.522 -2.293 14.171 1.00 0.00 H ATOM 288 N VAL A 31 2.455 0.426 14.221 1.00 25.72 N ATOM 289 CA VAL A 31 3.302 1.480 13.653 1.00 27.18 C ATOM 290 C VAL A 31 2.474 2.578 12.968 1.00 28.40 C ATOM 291 O VAL A 31 2.691 3.764 13.231 1.00 28.78 O ATOM 292 CB VAL A 31 4.397 0.842 12.747 1.00 27.84 C ATOM 293 CG1 VAL A 31 4.934 1.751 11.665 1.00 28.69 C ATOM 294 CG2 VAL A 31 5.529 0.348 13.621 1.00 28.71 C ATOM 295 H VAL A 31 2.634 -0.557 13.931 1.00 0.00 H ATOM 296 N GLY A 32 1.528 2.163 12.125 1.00 29.20 N ATOM 297 CA GLY A 32 0.535 3.056 11.515 1.00 30.00 C ATOM 298 C GLY A 32 -0.189 4.000 12.478 1.00 31.97 C ATOM 299 O GLY A 32 -0.341 5.199 12.193 1.00 29.58 O ATOM 300 H GLY A 32 1.492 1.151 11.887 1.00 0.00 H ATOM 301 N ALA A 33 -0.608 3.449 13.620 1.00 32.11 N ATOM 302 CA ALA A 33 -1.279 4.210 14.678 1.00 33.46 C ATOM 303 C ALA A 33 -0.358 5.228 15.366 1.00 34.72 C ATOM 304 O ALA A 33 -0.769 6.359 15.644 1.00 36.32 O ATOM 305 CB ALA A 33 -1.874 3.259 15.710 1.00 34.90 C ATOM 306 H ALA A 33 -0.451 2.431 13.766 1.00 0.00 H ATOM 307 N LEU A 34 0.879 4.812 15.629 1.00 33.64 N ATOM 308 CA LEU A 34 1.879 5.657 16.288 1.00 34.42 C ATOM 309 C LEU A 34 2.329 6.789 15.361 1.00 33.14 C ATOM 310 O LEU A 34 2.350 7.953 15.764 1.00 35.19 O ATOM 311 CB LEU A 34 3.067 4.802 16.754 1.00 35.69 C ATOM 312 CG LEU A 34 2.700 3.764 17.836 1.00 37.50 C ATOM 313 CD1 LEU A 34 3.634 2.559 17.835 1.00 38.67 C ATOM 314 CD2 LEU A 34 2.658 4.403 19.215 1.00 39.40 C ATOM 315 H LEU A 34 1.147 3.845 15.355 1.00 0.00 H ATOM 316 N GLU A 35 2.662 6.424 14.124 1.00 30.84 N ATOM 317 CA GLU A 35 2.928 7.365 13.011 1.00 29.79 C ATOM 318 C GLU A 35 1.930 8.517 12.891 1.00 30.72 C ATOM 319 O GLU A 35 2.332 9.669 12.698 1.00 34.58 O ATOM 320 CB GLU A 35 2.939 6.602 11.683 1.00 27.70 C ATOM 321 CG GLU A 35 4.224 5.835 11.409 1.00 27.29 C ATOM 322 CD GLU A 35 4.123 4.854 10.239 1.00 26.27 C ATOM 323 OE1 GLU A 35 3.056 4.736 9.597 1.00 25.43 O ATOM 324 OE2 GLU A 35 5.136 4.198 9.940 1.00 25.84 O ATOM 325 H GLU A 35 2.741 5.406 13.925 1.00 0.00 H ATOM 326 N GLY A 36 0.642 8.185 12.992 1.00 29.19 N ATOM 327 CA GLY A 36 -0.444 9.160 13.006 1.00 29.89 C ATOM 328 C GLY A 36 -0.367 10.120 14.179 1.00 31.98 C ATOM 329 O GLY A 36 -0.390 11.354 13.993 1.00 33.79 O ATOM 330 H GLY A 36 0.398 7.177 13.065 1.00 0.00 H ATOM 331 N GLN A 37 -0.238 9.549 15.375 1.00 30.71 N ATOM 332 CA GLN A 37 -0.094 10.332 16.617 1.00 32.05 C ATOM 333 C GLN A 37 1.207 11.142 16.709 1.00 33.12 C ATOM 334 O GLN A 37 1.229 12.174 17.378 1.00 35.48 O ATOM 335 CB GLN A 37 -0.227 9.423 17.847 1.00 31.10 C ATOM 336 CG GLN A 37 -1.589 8.774 18.010 1.00 30.95 C ATOM 337 CD GLN A 37 -2.685 9.783 18.297 1.00 34.10 C ATOM 338 OE1 GLN A 37 -2.912 10.146 19.448 1.00 36.62 O ATOM 339 NE2 GLN A 37 -3.361 10.257 17.246 1.00 35.13 N ATOM 340 HE22 GLN A 37 -3.135 9.921 16.288 1.00 0.00 H ATOM 341 HE21 GLN A 37 -4.113 10.962 17.386 1.00 0.00 H ATOM 342 H GLN A 37 -0.239 8.511 15.436 1.00 0.00 H ATOM 343 N LEU A 38 2.270 10.677 16.047 1.00 33.04 N ATOM 344 CA LEU A 38 3.527 11.434 15.926 1.00 34.56 C ATOM 345 C LEU A 38 3.341 12.752 15.162 1.00 36.51 C ATOM 346 O LEU A 38 3.758 13.810 15.643 1.00 37.93 O ATOM 347 CB LEU A 38 4.607 10.576 15.248 1.00 33.13 C ATOM 348 CG LEU A 38 6.034 11.125 15.129 1.00 35.09 C ATOM 349 CD1 LEU A 38 6.640 11.388 16.497 1.00 36.53 C ATOM 350 CD2 LEU A 38 6.910 10.162 14.347 1.00 33.92 C ATOM 351 H LEU A 38 2.207 9.741 15.598 1.00 0.00 H ATOM 352 N LYS A 39 2.709 12.668 13.987 1.00 36.56 N ATOM 353 CA LYS A 39 2.385 13.846 13.162 1.00 40.27 C ATOM 354 C LYS A 39 1.498 14.879 13.873 1.00 41.23 C ATOM 355 O LYS A 39 1.708 16.078 13.703 1.00 43.13 O ATOM 356 CB LYS A 39 1.728 13.418 11.835 1.00 40.43 C ATOM 357 CG LYS A 39 1.292 14.546 10.892 1.00 43.94 C ATOM 358 CD LYS A 39 2.435 15.488 10.528 1.00 46.49 C ATOM 359 CE LYS A 39 2.057 16.509 9.460 1.00 50.21 C ATOM 360 NZ LYS A 39 2.713 16.222 8.157 1.00 51.06 N ATOM 361 HZ1 LYS A 39 3.746 16.245 8.278 1.00 0.00 H ATOM 362 HZ2 LYS A 39 2.423 15.281 7.824 1.00 0.00 H ATOM 363 HZ3 LYS A 39 2.428 16.940 7.461 1.00 0.00 H ATOM 364 H LYS A 39 2.433 11.728 13.639 1.00 0.00 H ATOM 365 N LYS A 40 0.512 14.406 14.636 1.00 40.18 N ATOM 366 CA LYS A 40 -0.407 15.278 15.390 1.00 43.11 C ATOM 367 C LYS A 40 0.316 16.098 16.460 1.00 46.67 C ATOM 368 O LYS A 40 0.124 17.310 16.565 1.00 48.76 O ATOM 369 CB LYS A 40 -1.509 14.448 16.050 1.00 42.15 C ATOM 370 CG LYS A 40 -2.674 15.262 16.583 1.00 44.67 C ATOM 371 CD LYS A 40 -3.858 14.362 16.890 1.00 44.03 C ATOM 372 CE LYS A 40 -5.027 15.137 17.468 1.00 46.36 C ATOM 373 NZ LYS A 40 -6.117 14.194 17.829 1.00 45.71 N ATOM 374 HZ1 LYS A 40 -6.427 13.682 16.978 1.00 0.00 H ATOM 375 HZ2 LYS A 40 -5.767 13.516 18.535 1.00 0.00 H ATOM 376 HZ3 LYS A 40 -6.918 14.727 18.225 1.00 0.00 H ATOM 377 H LYS A 40 0.386 13.376 14.702 1.00 0.00 H ATOM 378 N LYS A 41 1.146 15.410 17.239 1.00 48.54 N ATOM 379 CA LYS A 41 1.935 16.009 18.323 1.00 50.21 C ATOM 380 C LYS A 41 3.034 16.953 17.801 1.00 50.86 C ATOM 381 O LYS A 41 3.031 18.147 18.103 1.00 55.86 O ATOM 382 CB LYS A 41 2.546 14.878 19.169 1.00 50.13 C ATOM 383 CG LYS A 41 3.277 15.292 20.433 1.00 52.97 C ATOM 384 CD LYS A 41 3.887 14.062 21.085 1.00 51.67 C ATOM 385 CE LYS A 41 4.542 14.401 22.403 1.00 53.81 C ATOM 386 NZ LYS A 41 3.548 14.731 23.460 1.00 56.24 N ATOM 387 HZ1 LYS A 41 2.984 15.552 23.160 1.00 0.00 H ATOM 388 HZ2 LYS A 41 2.921 13.915 23.612 1.00 0.00 H ATOM 389 HZ3 LYS A 41 4.046 14.956 24.345 1.00 0.00 H ATOM 390 H LYS A 41 1.242 14.388 17.071 1.00 0.00 H ATOM 391 N THR A 42 3.937 16.404 16.994 1.00 48.61 N ATOM 392 CA THR A 42 5.208 17.055 16.627 1.00 49.29 C ATOM 393 C THR A 42 5.200 17.892 15.335 1.00 49.42 C ATOM 394 O THR A 42 6.104 18.706 15.140 1.00 50.74 O ATOM 395 CB THR A 42 6.334 15.999 16.482 1.00 47.36 C ATOM 396 OG1 THR A 42 6.063 15.139 15.366 1.00 44.61 O ATOM 397 CG2 THR A 42 6.472 15.153 17.757 1.00 46.44 C ATOM 398 HG1 THR A 42 5.200 14.676 15.509 1.00 0.00 H ATOM 399 H THR A 42 3.736 15.463 16.600 1.00 0.00 H ATOM 400 N GLY A 43 4.224 17.656 14.451 1.00 47.66 N ATOM 401 CA GLY A 43 4.225 18.191 13.083 1.00 49.09 C ATOM 402 C GLY A 43 4.996 17.397 12.023 1.00 48.04 C ATOM 403 O GLY A 43 4.778 17.620 10.828 1.00 47.98 O ATOM 404 H GLY A 43 3.423 17.063 14.748 1.00 0.00 H ATOM 405 N LYS A 44 5.860 16.463 12.438 1.00 46.63 N ATOM 406 CA LYS A 44 6.760 15.731 11.546 1.00 47.00 C ATOM 407 C LYS A 44 6.240 14.295 11.392 1.00 44.43 C ATOM 408 O LYS A 44 5.885 13.642 12.381 1.00 43.22 O ATOM 409 CB LYS A 44 8.191 15.758 12.114 1.00 48.90 C ATOM 410 CG LYS A 44 9.244 14.876 11.436 1.00 48.95 C ATOM 411 CD LYS A 44 9.505 15.203 9.970 1.00 50.91 C ATOM 412 CE LYS A 44 10.700 14.406 9.443 1.00 51.04 C ATOM 413 NZ LYS A 44 11.252 14.949 8.168 1.00 54.00 N ATOM 414 HZ1 LYS A 44 10.513 14.930 7.436 1.00 0.00 H ATOM 415 HZ2 LYS A 44 11.568 15.928 8.318 1.00 0.00 H ATOM 416 HZ3 LYS A 44 12.058 14.366 7.864 1.00 0.00 H ATOM 417 H LYS A 44 5.894 16.245 13.454 1.00 0.00 H ATOM 418 N LEU A 45 6.202 13.836 10.142 1.00 43.91 N ATOM 419 CA LEU A 45 5.867 12.466 9.776 1.00 42.80 C ATOM 420 C LEU A 45 7.158 11.717 9.442 1.00 43.28 C ATOM 421 O LEU A 45 8.079 12.285 8.844 1.00 44.10 O ATOM 422 CB LEU A 45 4.945 12.475 8.551 1.00 42.55 C ATOM 423 CG LEU A 45 4.431 11.146 7.984 1.00 39.99 C ATOM 424 CD1 LEU A 45 3.415 10.526 8.925 1.00 38.12 C ATOM 425 CD2 LEU A 45 3.841 11.353 6.595 1.00 41.26 C ATOM 426 H LEU A 45 6.427 14.501 9.375 1.00 0.00 H ATOM 427 N LEU A 46 7.220 10.449 9.840 1.00 41.60 N ATOM 428 CA LEU A 46 8.229 9.505 9.324 1.00 43.12 C ATOM 429 C LEU A 46 7.785 8.061 9.551 1.00 41.15 C ATOM 430 O LEU A 46 6.799 7.819 10.250 1.00 40.59 O ATOM 431 CB LEU A 46 9.629 9.779 9.914 1.00 45.67 C ATOM 432 CG LEU A 46 9.795 10.188 11.381 1.00 46.37 C ATOM 433 CD1 LEU A 46 9.479 9.037 12.327 1.00 46.12 C ATOM 434 CD2 LEU A 46 11.212 10.694 11.623 1.00 47.16 C ATOM 435 H LEU A 46 6.531 10.111 10.542 1.00 0.00 H ATOM 436 N ASN A 47 8.505 7.121 8.943 1.00 39.78 N ATOM 437 CA ASN A 47 8.243 5.697 9.137 1.00 39.04 C ATOM 438 C ASN A 47 8.818 5.257 10.492 1.00 36.71 C ATOM 439 O ASN A 47 10.029 5.396 10.724 1.00 35.46 O ATOM 440 CB ASN A 47 8.885 4.857 8.022 1.00 41.05 C ATOM 441 CG ASN A 47 8.278 5.100 6.648 1.00 43.72 C ATOM 442 OD1 ASN A 47 7.127 5.502 6.525 1.00 47.76 O ATOM 443 ND2 ASN A 47 9.046 4.809 5.598 1.00 45.08 N ATOM 444 HD22 ASN A 47 10.019 4.470 5.743 1.00 0.00 H ATOM 445 HD21 ASN A 47 8.673 4.921 4.634 1.00 0.00 H ATOM 446 H ASN A 47 9.278 7.409 8.310 1.00 0.00 H ATOM 447 N LEU A 48 7.960 4.748 11.378 1.00 33.28 N ATOM 448 CA LEU A 48 8.405 4.036 12.585 1.00 32.32 C ATOM 449 C LEU A 48 8.662 2.568 12.220 1.00 32.06 C ATOM 450 O LEU A 48 8.248 2.102 11.157 1.00 31.79 O ATOM 451 CB LEU A 48 7.385 4.176 13.718 1.00 31.38 C ATOM 452 CG LEU A 48 7.092 5.611 14.187 1.00 33.39 C ATOM 453 CD1 LEU A 48 5.889 5.640 15.119 1.00 32.71 C ATOM 454 CD2 LEU A 48 8.302 6.240 14.863 1.00 35.32 C ATOM 455 H LEU A 48 6.940 4.859 11.209 1.00 0.00 H ATOM 456 N SER A 49 9.356 1.859 13.106 1.00 32.95 N ATOM 457 CA SER A 49 9.902 0.521 12.816 1.00 32.83 C ATOM 458 C SER A 49 8.925 -0.614 13.176 1.00 31.85 C ATOM 459 O SER A 49 8.672 -0.840 14.372 1.00 31.02 O ATOM 460 CB SER A 49 11.225 0.318 13.561 1.00 33.65 C ATOM 461 OG SER A 49 11.760 -0.981 13.316 1.00 33.32 O ATOM 462 HG SER A 49 11.923 -1.092 12.346 1.00 0.00 H ATOM 463 H SER A 49 9.521 2.268 14.048 1.00 0.00 H ATOM 464 N PRO A 50 8.363 -1.324 12.160 1.00 30.13 N ATOM 465 CA PRO A 50 7.682 -2.595 12.449 1.00 30.07 C ATOM 466 C PRO A 50 8.620 -3.689 12.983 1.00 31.10 C ATOM 467 O PRO A 50 8.189 -4.494 13.811 1.00 31.04 O ATOM 468 CB PRO A 50 7.093 -3.003 11.084 1.00 29.14 C ATOM 469 CG PRO A 50 7.939 -2.283 10.093 1.00 31.17 C ATOM 470 CD PRO A 50 8.170 -0.960 10.745 1.00 31.18 C ATOM 471 N GLN A 51 9.875 -3.695 12.519 1.00 31.77 N ATOM 472 CA GLN A 51 10.883 -4.689 12.939 1.00 33.19 C ATOM 473 C GLN A 51 11.283 -4.586 14.421 1.00 33.09 C ATOM 474 O GLN A 51 11.497 -5.608 15.071 1.00 36.21 O ATOM 475 CB GLN A 51 12.138 -4.595 12.054 1.00 33.64 C ATOM 476 CG GLN A 51 13.000 -5.841 12.039 1.00 36.58 C ATOM 477 CD GLN A 51 12.303 -7.017 11.371 1.00 36.99 C ATOM 478 OE1 GLN A 51 12.114 -7.017 10.155 1.00 39.17 O ATOM 479 NE2 GLN A 51 11.900 -8.011 12.157 1.00 37.65 N ATOM 480 HE22 GLN A 51 12.080 -7.971 13.180 1.00 0.00 H ATOM 481 HE21 GLN A 51 11.404 -8.829 11.748 1.00 0.00 H ATOM 482 H GLN A 51 10.153 -2.966 11.831 1.00 0.00 H ATOM 483 N ASN A 52 11.412 -3.354 14.916 1.00 32.24 N ATOM 484 CA ASN A 52 11.523 -3.041 16.360 1.00 32.82 C ATOM 485 C ASN A 52 10.431 -3.761 17.151 1.00 33.10 C ATOM 486 O ASN A 52 10.732 -4.407 18.149 1.00 34.47 O ATOM 487 CB ASN A 52 11.419 -1.517 16.577 1.00 32.31 C ATOM 488 CG ASN A 52 11.914 -1.010 17.945 1.00 32.85 C ATOM 489 OD1 ASN A 52 12.180 0.181 18.038 1.00 30.46 O ATOM 490 ND2 ASN A 52 12.024 -1.846 18.991 1.00 34.48 N ATOM 491 HD22 ASN A 52 11.790 -2.853 18.879 1.00 0.00 H ATOM 492 HD21 ASN A 52 12.343 -1.486 19.913 1.00 0.00 H ATOM 493 H ASN A 52 11.436 -2.561 14.244 1.00 0.00 H ATOM 494 N LEU A 53 9.188 -3.671 16.683 1.00 32.04 N ATOM 495 CA LEU A 53 8.072 -4.360 17.326 1.00 30.23 C ATOM 496 C LEU A 53 8.183 -5.888 17.180 1.00 30.99 C ATOM 497 O LEU A 53 8.064 -6.595 18.175 1.00 30.87 O ATOM 498 CB LEU A 53 6.727 -3.845 16.810 1.00 28.11 C ATOM 499 CG LEU A 53 6.443 -2.346 16.914 1.00 27.03 C ATOM 500 CD1 LEU A 53 5.044 -2.070 16.395 1.00 26.08 C ATOM 501 CD2 LEU A 53 6.597 -1.842 18.341 1.00 27.73 C ATOM 502 H LEU A 53 9.007 -3.095 15.837 1.00 0.00 H ATOM 503 N VAL A 54 8.463 -6.379 15.968 1.00 30.10 N ATOM 504 CA VAL A 54 8.592 -7.840 15.698 1.00 32.49 C ATOM 505 C VAL A 54 9.662 -8.517 16.578 1.00 35.46 C ATOM 506 O VAL A 54 9.407 -9.567 17.185 1.00 36.37 O ATOM 507 CB VAL A 54 8.848 -8.126 14.188 1.00 32.81 C ATOM 508 CG1 VAL A 54 9.243 -9.581 13.922 1.00 35.63 C ATOM 509 CG2 VAL A 54 7.603 -7.811 13.378 1.00 31.21 C ATOM 510 H VAL A 54 8.597 -5.714 15.180 1.00 0.00 H ATOM 511 N ASP A 55 10.831 -7.886 16.651 1.00 35.54 N ATOM 512 CA ASP A 55 11.987 -8.419 17.378 1.00 37.54 C ATOM 513 C ASP A 55 11.909 -8.340 18.915 1.00 38.37 C ATOM 514 O ASP A 55 12.394 -9.255 19.600 1.00 39.89 O ATOM 515 CB ASP A 55 13.266 -7.712 16.890 1.00 38.85 C ATOM 516 CG ASP A 55 13.609 -8.022 15.419 1.00 39.74 C ATOM 517 OD1 ASP A 55 12.978 -8.905 14.787 1.00 39.88 O ATOM 518 OD2 ASP A 55 14.546 -7.386 14.895 1.00 40.53 O ATOM 519 H ASP A 55 10.930 -6.970 16.169 1.00 0.00 H ATOM 520 N CYS A 56 11.321 -7.258 19.439 1.00 37.77 N ATOM 521 CA CYS A 56 11.373 -6.907 20.868 1.00 36.44 C ATOM 522 C CYS A 56 10.080 -7.117 21.660 1.00 35.28 C ATOM 523 O CYS A 56 10.161 -7.284 22.876 1.00 38.30 O ATOM 524 CB CYS A 56 11.804 -5.449 21.028 1.00 36.64 C ATOM 525 SG CYS A 56 13.210 -4.927 20.019 1.00 37.24 S ATOM 526 H CYS A 56 10.796 -6.628 18.799 1.00 0.00 H ATOM 527 N VAL A 57 8.905 -7.091 21.014 1.00 32.80 N ATOM 528 CA VAL A 57 7.620 -7.354 21.711 1.00 32.86 C ATOM 529 C VAL A 57 7.570 -8.862 22.064 1.00 34.32 C ATOM 530 O VAL A 57 6.999 -9.671 21.336 1.00 33.63 O ATOM 531 CB VAL A 57 6.359 -6.886 20.904 1.00 30.94 C ATOM 532 CG1 VAL A 57 5.060 -7.146 21.667 1.00 31.57 C ATOM 533 CG2 VAL A 57 6.413 -5.390 20.597 1.00 29.24 C ATOM 534 H VAL A 57 8.893 -6.881 19.996 1.00 0.00 H ATOM 535 N SER A 58 8.199 -9.210 23.187 1.00 36.58 N ATOM 536 CA SER A 58 8.307 -10.607 23.648 1.00 39.45 C ATOM 537 C SER A 58 6.961 -11.263 24.004 1.00 40.23 C ATOM 538 O SER A 58 6.838 -12.476 23.907 1.00 42.40 O ATOM 539 CB SER A 58 9.292 -10.716 24.823 1.00 41.58 C ATOM 540 OG SER A 58 9.035 -9.739 25.819 1.00 41.15 O ATOM 541 HG SER A 58 9.688 -9.841 26.556 1.00 0.00 H ATOM 542 H SER A 58 8.633 -8.462 23.764 1.00 0.00 H ATOM 543 N GLU A 59 5.956 -10.460 24.368 1.00 40.69 N ATOM 544 CA GLU A 59 4.594 -10.964 24.645 1.00 42.15 C ATOM 545 C GLU A 59 3.809 -11.424 23.390 1.00 40.68 C ATOM 546 O GLU A 59 2.805 -12.129 23.523 1.00 43.30 O ATOM 547 CB GLU A 59 3.767 -9.937 25.439 1.00 43.08 C ATOM 548 CG GLU A 59 4.391 -9.497 26.768 1.00 44.80 C ATOM 549 CD GLU A 59 5.232 -8.218 26.694 1.00 45.75 C ATOM 550 OE1 GLU A 59 5.476 -7.622 27.771 1.00 46.55 O ATOM 551 OE2 GLU A 59 5.671 -7.808 25.581 1.00 41.31 O ATOM 552 H GLU A 59 6.140 -9.440 24.460 1.00 0.00 H ATOM 553 N ASN A 60 4.253 -11.016 22.195 1.00 38.09 N ATOM 554 CA ASN A 60 3.689 -11.457 20.910 1.00 36.14 C ATOM 555 C ASN A 60 4.585 -12.526 20.285 1.00 37.80 C ATOM 556 O ASN A 60 5.704 -12.755 20.763 1.00 39.54 O ATOM 557 CB ASN A 60 3.544 -10.255 19.956 1.00 33.09 C ATOM 558 CG ASN A 60 2.503 -9.226 20.427 1.00 31.24 C ATOM 559 OD1 ASN A 60 1.722 -9.455 21.355 1.00 31.17 O ATOM 560 ND2 ASN A 60 2.470 -8.090 19.747 1.00 29.52 N ATOM 561 HD22 ASN A 60 3.143 -7.929 18.970 1.00 0.00 H ATOM 562 HD21 ASN A 60 1.771 -7.359 19.990 1.00 0.00 H ATOM 563 H ASN A 60 5.047 -10.345 22.174 1.00 0.00 H ATOM 564 N ASP A 61 4.091 -13.168 19.216 1.00 37.66 N ATOM 565 CA ASP A 61 4.807 -14.259 18.525 1.00 39.67 C ATOM 566 C ASP A 61 5.408 -13.810 17.172 1.00 39.01 C ATOM 567 O ASP A 61 5.413 -14.577 16.205 1.00 39.82 O ATOM 568 CB ASP A 61 3.858 -15.473 18.366 1.00 40.60 C ATOM 569 CG ASP A 61 4.584 -16.795 18.006 1.00 43.31 C ATOM 570 OD1 ASP A 61 5.834 -16.879 18.018 1.00 43.21 O ATOM 571 OD2 ASP A 61 3.875 -17.773 17.691 1.00 45.63 O ATOM 572 H ASP A 61 3.158 -12.883 18.856 1.00 0.00 H ATOM 573 N GLY A 62 5.941 -12.584 17.114 1.00 38.24 N ATOM 574 CA GLY A 62 6.645 -12.068 15.924 1.00 38.35 C ATOM 575 C GLY A 62 5.878 -12.171 14.608 1.00 38.59 C ATOM 576 O GLY A 62 4.812 -11.557 14.461 1.00 39.06 O ATOM 577 H GLY A 62 5.855 -11.966 17.946 1.00 0.00 H ATOM 578 N CYS A 63 6.418 -12.961 13.672 1.00 39.13 N ATOM 579 CA CYS A 63 5.732 -13.301 12.417 1.00 39.35 C ATOM 580 C CYS A 63 4.569 -14.288 12.603 1.00 39.14 C ATOM 581 O CYS A 63 3.709 -14.377 11.735 1.00 37.02 O ATOM 582 CB CYS A 63 6.723 -13.868 11.386 1.00 43.19 C ATOM 583 SG CYS A 63 8.045 -12.745 10.860 1.00 44.98 S ATOM 584 H CYS A 63 7.367 -13.352 13.840 1.00 0.00 H ATOM 585 N GLY A 64 4.564 -15.052 13.697 1.00 41.46 N ATOM 586 CA GLY A 64 3.452 -15.953 14.034 1.00 43.59 C ATOM 587 C GLY A 64 2.139 -15.271 14.396 1.00 42.80 C ATOM 588 O GLY A 64 1.063 -15.800 14.091 1.00 42.07 O ATOM 589 H GLY A 64 5.381 -15.008 14.339 1.00 0.00 H ATOM 590 N GLY A 65 2.228 -14.107 15.050 1.00 42.87 N ATOM 591 CA GLY A 65 1.049 -13.347 15.490 1.00 41.65 C ATOM 592 C GLY A 65 1.366 -12.336 16.575 1.00 42.17 C ATOM 593 O GLY A 65 2.526 -12.188 16.985 1.00 45.13 O ATOM 594 H GLY A 65 3.172 -13.723 15.256 1.00 0.00 H ATOM 595 N GLY A 66 0.332 -11.631 17.028 1.00 41.63 N ATOM 596 CA GLY A 66 0.478 -10.565 18.027 1.00 40.03 C ATOM 597 C GLY A 66 -0.693 -9.603 18.084 1.00 39.50 C ATOM 598 O GLY A 66 -1.473 -9.515 17.144 1.00 39.68 O ATOM 599 H GLY A 66 -0.617 -11.844 16.660 1.00 0.00 H ATOM 600 N TYR A 67 -0.812 -8.900 19.210 1.00 41.86 N ATOM 601 CA TYR A 67 -1.807 -7.841 19.422 1.00 41.37 C ATOM 602 C TYR A 67 -1.147 -6.459 19.430 1.00 36.80 C ATOM 603 O TYR A 67 0.028 -6.316 19.798 1.00 34.51 O ATOM 604 CB TYR A 67 -2.550 -8.094 20.732 1.00 46.84 C ATOM 605 CG TYR A 67 -3.211 -9.450 20.745 1.00 53.48 C ATOM 606 CD1 TYR A 67 -4.398 -9.675 20.029 1.00 55.77 C ATOM 607 CD2 TYR A 67 -2.629 -10.537 21.429 1.00 57.23 C ATOM 608 CE1 TYR A 67 -5.003 -10.933 20.013 1.00 58.69 C ATOM 609 CE2 TYR A 67 -3.228 -11.797 21.421 1.00 60.32 C ATOM 610 CZ TYR A 67 -4.415 -11.989 20.713 1.00 61.48 C ATOM 611 OH TYR A 67 -5.019 -13.219 20.696 1.00 66.44 O ATOM 612 HH TYR A 67 -5.843 -13.173 20.150 1.00 0.00 H ATOM 613 H TYR A 67 -0.158 -9.115 19.989 1.00 0.00 H ATOM 614 N MET A 68 -1.920 -5.452 19.023 1.00 34.97 N ATOM 615 CA MET A 68 -1.433 -4.068 18.908 1.00 32.82 C ATOM 616 C MET A 68 -1.226 -3.405 20.265 1.00 33.06 C ATOM 617 O MET A 68 -0.213 -2.733 20.475 1.00 35.31 O ATOM 618 CB MET A 68 -2.377 -3.220 18.046 1.00 30.56 C ATOM 619 CG MET A 68 -2.375 -3.611 16.581 1.00 29.13 C ATOM 620 SD MET A 68 -3.377 -5.044 16.189 1.00 28.00 S ATOM 621 CE MET A 68 -4.961 -4.266 15.885 1.00 28.23 C ATOM 622 H MET A 68 -2.910 -5.653 18.776 1.00 0.00 H ATOM 623 N THR A 69 -2.192 -3.590 21.166 1.00 33.41 N ATOM 624 CA THR A 69 -2.076 -3.189 22.587 1.00 34.17 C ATOM 625 C THR A 69 -0.736 -3.571 23.212 1.00 32.10 C ATOM 626 O THR A 69 -0.105 -2.743 23.860 1.00 30.13 O ATOM 627 CB THR A 69 -3.180 -3.832 23.447 1.00 37.80 C ATOM 628 OG1 THR A 69 -3.266 -5.230 23.137 1.00 39.82 O ATOM 629 CG2 THR A 69 -4.529 -3.162 23.194 1.00 38.76 C ATOM 630 HG1 THR A 69 -3.975 -5.646 23.688 1.00 0.00 H ATOM 631 H THR A 69 -3.076 -4.041 20.853 1.00 0.00 H ATOM 632 N ASN A 70 -0.308 -4.814 22.967 1.00 31.05 N ATOM 633 CA ASN A 70 1.001 -5.308 23.427 1.00 31.52 C ATOM 634 C ASN A 70 2.191 -4.538 22.842 1.00 30.58 C ATOM 635 O ASN A 70 3.147 -4.245 23.564 1.00 31.70 O ATOM 636 CB ASN A 70 1.152 -6.811 23.154 1.00 31.41 C ATOM 637 CG ASN A 70 0.177 -7.668 23.966 1.00 33.44 C ATOM 638 OD1 ASN A 70 -0.491 -7.191 24.894 1.00 32.72 O ATOM 639 ND2 ASN A 70 0.080 -8.946 23.600 1.00 34.11 N ATOM 640 HD22 ASN A 70 0.659 -9.308 22.815 1.00 0.00 H ATOM 641 HD21 ASN A 70 -0.574 -9.582 24.099 1.00 0.00 H ATOM 642 H ASN A 70 -0.924 -5.457 22.430 1.00 0.00 H ATOM 643 N ALA A 71 2.125 -4.212 21.554 1.00 29.13 N ATOM 644 CA ALA A 71 3.129 -3.341 20.917 1.00 28.49 C ATOM 645 C ALA A 71 3.116 -1.889 21.447 1.00 28.32 C ATOM 646 O ALA A 71 4.179 -1.286 21.576 1.00 28.70 O ATOM 647 CB ALA A 71 2.972 -3.354 19.403 1.00 26.52 C ATOM 648 H ALA A 71 1.342 -4.583 20.979 1.00 0.00 H ATOM 649 N PHE A 72 1.932 -1.344 21.746 1.00 28.59 N ATOM 650 CA PHE A 72 1.811 0.008 22.347 1.00 30.41 C ATOM 651 C PHE A 72 2.332 0.020 23.786 1.00 34.38 C ATOM 652 O PHE A 72 3.097 0.901 24.165 1.00 38.15 O ATOM 653 CB PHE A 72 0.360 0.517 22.356 1.00 29.05 C ATOM 654 CG PHE A 72 -0.286 0.627 20.993 1.00 26.90 C ATOM 655 CD1 PHE A 72 0.400 1.152 19.893 1.00 25.21 C ATOM 656 CD2 PHE A 72 -1.626 0.246 20.821 1.00 26.71 C ATOM 657 CE1 PHE A 72 -0.224 1.257 18.655 1.00 24.98 C ATOM 658 CE2 PHE A 72 -2.252 0.355 19.580 1.00 25.73 C ATOM 659 CZ PHE A 72 -1.551 0.860 18.495 1.00 25.06 C ATOM 660 H PHE A 72 1.066 -1.886 21.551 1.00 0.00 H ATOM 661 N GLN A 73 1.875 -0.959 24.567 1.00 36.59 N ATOM 662 CA GLN A 73 2.383 -1.277 25.921 1.00 38.98 C ATOM 663 C GLN A 73 3.911 -1.495 25.978 1.00 39.11 C ATOM 664 O GLN A 73 4.546 -1.118 26.965 1.00 42.85 O ATOM 665 CB GLN A 73 1.638 -2.524 26.427 1.00 40.21 C ATOM 666 CG GLN A 73 1.942 -3.060 27.808 1.00 43.54 C ATOM 667 CD GLN A 73 1.141 -4.336 28.069 1.00 44.63 C ATOM 668 OE1 GLN A 73 -0.090 -4.291 28.140 1.00 44.31 O ATOM 669 NE2 GLN A 73 1.826 -5.477 28.181 1.00 44.68 N ATOM 670 HE22 GLN A 73 2.864 -5.469 28.115 1.00 0.00 H ATOM 671 HE21 GLN A 73 1.322 -6.373 28.334 1.00 0.00 H ATOM 672 H GLN A 73 1.101 -1.546 24.196 1.00 0.00 H ATOM 673 N TYR A 74 4.477 -2.105 24.936 1.00 36.33 N ATOM 674 CA TYR A 74 5.937 -2.233 24.792 1.00 37.69 C ATOM 675 C TYR A 74 6.633 -0.865 24.632 1.00 38.77 C ATOM 676 O TYR A 74 7.600 -0.602 25.337 1.00 41.76 O ATOM 677 CB TYR A 74 6.322 -3.195 23.641 1.00 36.81 C ATOM 678 CG TYR A 74 7.733 -2.996 23.119 1.00 37.48 C ATOM 679 CD1 TYR A 74 8.836 -3.581 23.760 1.00 38.65 C ATOM 680 CD2 TYR A 74 7.975 -2.182 21.995 1.00 36.21 C ATOM 681 CE1 TYR A 74 10.136 -3.375 23.288 1.00 39.64 C ATOM 682 CE2 TYR A 74 9.265 -1.964 21.518 1.00 36.61 C ATOM 683 CZ TYR A 74 10.346 -2.556 22.161 1.00 39.28 C ATOM 684 OH TYR A 74 11.619 -2.334 21.668 1.00 39.31 O ATOM 685 HH TYR A 74 12.277 -2.818 22.227 1.00 0.00 H ATOM 686 H TYR A 74 3.864 -2.505 24.197 1.00 0.00 H ATOM 687 N VAL A 75 6.152 -0.031 23.703 1.00 37.13 N ATOM 688 CA VAL A 75 6.727 1.318 23.438 1.00 36.89 C ATOM 689 C VAL A 75 6.656 2.254 24.668 1.00 39.71 C ATOM 690 O VAL A 75 7.543 3.092 24.854 1.00 38.10 O ATOM 691 CB VAL A 75 6.085 1.976 22.169 1.00 34.88 C ATOM 692 CG1 VAL A 75 6.495 3.441 21.963 1.00 34.38 C ATOM 693 CG2 VAL A 75 6.471 1.181 20.929 1.00 33.80 C ATOM 694 H VAL A 75 5.336 -0.340 23.137 1.00 0.00 H ATOM 695 N GLN A 76 5.612 2.099 25.489 1.00 42.77 N ATOM 696 CA GLN A 76 5.464 2.838 26.754 1.00 46.79 C ATOM 697 C GLN A 76 6.549 2.476 27.781 1.00 47.78 C ATOM 698 O GLN A 76 7.263 3.358 28.272 1.00 49.71 O ATOM 699 CB GLN A 76 4.070 2.581 27.342 1.00 49.24 C ATOM 700 CG GLN A 76 3.713 3.395 28.578 1.00 54.72 C ATOM 701 CD GLN A 76 2.263 3.214 29.004 1.00 59.00 C ATOM 702 OE1 GLN A 76 1.612 2.229 28.645 1.00 62.14 O ATOM 703 NE2 GLN A 76 1.749 4.164 29.782 1.00 63.25 N ATOM 704 HE22 GLN A 76 2.332 4.979 30.062 1.00 0.00 H ATOM 705 HE21 GLN A 76 0.765 4.092 30.110 1.00 0.00 H ATOM 706 H GLN A 76 4.868 1.423 25.221 1.00 0.00 H ATOM 707 N LYS A 77 6.663 1.183 28.081 1.00 46.71 N ATOM 708 CA LYS A 77 7.653 0.661 29.047 1.00 48.81 C ATOM 709 C LYS A 77 9.105 0.794 28.558 1.00 46.09 C ATOM 710 O LYS A 77 10.004 1.084 29.345 1.00 45.39 O ATOM 711 CB LYS A 77 7.354 -0.806 29.387 1.00 50.99 C ATOM 712 CG LYS A 77 6.051 -1.010 30.147 1.00 53.37 C ATOM 713 CD LYS A 77 5.648 -2.476 30.175 1.00 54.35 C ATOM 714 CE LYS A 77 4.364 -2.681 30.962 1.00 55.74 C ATOM 715 NZ LYS A 77 3.854 -4.073 30.839 1.00 55.76 N ATOM 716 HZ1 LYS A 77 3.661 -4.283 29.839 1.00 0.00 H ATOM 717 HZ2 LYS A 77 4.568 -4.736 31.202 1.00 0.00 H ATOM 718 HZ3 LYS A 77 2.978 -4.170 31.391 1.00 0.00 H ATOM 719 H LYS A 77 6.025 0.508 27.613 1.00 0.00 H ATOM 720 N ASN A 78 9.309 0.574 27.262 1.00 41.69 N ATOM 721 CA ASN A 78 10.607 0.777 26.606 1.00 41.02 C ATOM 722 C ASN A 78 11.036 2.267 26.512 1.00 41.48 C ATOM 723 O ASN A 78 12.235 2.551 26.414 1.00 42.20 O ATOM 724 CB ASN A 78 10.553 0.122 25.218 1.00 38.52 C ATOM 725 CG ASN A 78 11.901 0.035 24.543 1.00 38.98 C ATOM 726 OD1 ASN A 78 12.802 -0.661 25.009 1.00 39.80 O ATOM 727 ND2 ASN A 78 12.033 0.711 23.414 1.00 37.47 N ATOM 728 HD22 ASN A 78 11.244 1.287 23.058 1.00 0.00 H ATOM 729 HD21 ASN A 78 12.926 0.667 22.883 1.00 0.00 H ATOM 730 H ASN A 78 8.510 0.242 26.685 1.00 0.00 H ATOM 731 N ARG A 79 10.064 3.190 26.556 1.00 40.53 N ATOM 732 CA ARG A 79 10.259 4.642 26.377 1.00 39.80 C ATOM 733 C ARG A 79 10.805 4.982 24.974 1.00 37.98 C ATOM 734 O ARG A 79 11.621 5.904 24.806 1.00 38.23 O ATOM 735 CB ARG A 79 11.096 5.273 27.517 1.00 42.85 C ATOM 736 CG ARG A 79 10.505 5.111 28.916 1.00 44.61 C ATOM 737 CD ARG A 79 9.576 6.157 29.380 1.00 43.15 C ATOM 738 NE ARG A 79 8.222 5.919 28.889 1.00 41.43 N ATOM 739 CZ ARG A 79 7.588 6.705 28.026 1.00 40.45 C ATOM 740 NH1 ARG A 79 8.183 7.788 27.548 1.00 41.05 N ATOM 741 NH2 ARG A 79 6.357 6.408 27.641 1.00 39.12 N ATOM 742 HE ARG A 79 7.720 5.078 29.238 1.00 0.00 H ATOM 743 HH12 ARG A 79 7.683 8.401 26.873 1.00 0.00 H ATOM 744 HH11 ARG A 79 9.150 8.025 27.848 1.00 0.00 H ATOM 745 HH22 ARG A 79 5.861 7.023 26.965 1.00 0.00 H ATOM 746 HH21 ARG A 79 5.886 5.559 28.014 1.00 0.00 H ATOM 747 H ARG A 79 9.095 2.856 26.730 1.00 0.00 H ATOM 748 N GLY A 80 10.337 4.231 23.971 1.00 35.61 N ATOM 749 CA GLY A 80 10.628 4.541 22.580 1.00 35.16 C ATOM 750 C GLY A 80 10.279 3.496 21.528 1.00 33.11 C ATOM 751 O GLY A 80 10.010 2.332 21.833 1.00 32.79 O ATOM 752 H GLY A 80 9.749 3.402 24.192 1.00 0.00 H ATOM 753 N ILE A 81 10.254 3.961 20.285 1.00 31.62 N ATOM 754 CA ILE A 81 10.275 3.118 19.095 1.00 30.51 C ATOM 755 C ILE A 81 11.244 3.788 18.117 1.00 31.60 C ATOM 756 O ILE A 81 11.273 5.023 18.011 1.00 32.51 O ATOM 757 CB ILE A 81 8.859 2.904 18.496 1.00 28.53 C ATOM 758 CG1 ILE A 81 8.913 1.984 17.264 1.00 26.87 C ATOM 759 CG2 ILE A 81 8.150 4.230 18.212 1.00 28.57 C ATOM 760 CD1 ILE A 81 7.563 1.432 16.860 1.00 24.98 C ATOM 761 H ILE A 81 10.217 4.992 20.151 1.00 0.00 H ATOM 762 N ASP A 82 12.052 2.977 17.444 1.00 31.40 N ATOM 763 CA ASP A 82 12.988 3.474 16.442 1.00 32.78 C ATOM 764 C ASP A 82 12.260 3.838 15.150 1.00 31.93 C ATOM 765 O ASP A 82 11.143 3.369 14.888 1.00 29.85 O ATOM 766 CB ASP A 82 14.115 2.447 16.169 1.00 33.67 C ATOM 767 CG ASP A 82 15.180 2.418 17.277 1.00 35.79 C ATOM 768 OD1 ASP A 82 15.366 3.432 17.986 1.00 36.52 O ATOM 769 OD2 ASP A 82 15.847 1.378 17.441 1.00 36.70 O ATOM 770 H ASP A 82 12.016 1.956 17.637 1.00 0.00 H ATOM 771 N SER A 83 12.901 4.699 14.364 1.00 33.89 N ATOM 772 CA SER A 83 12.487 4.950 12.984 1.00 34.50 C ATOM 773 C SER A 83 12.855 3.753 12.102 1.00 34.86 C ATOM 774 O SER A 83 13.764 2.992 12.436 1.00 34.92 O ATOM 775 CB SER A 83 13.147 6.224 12.445 1.00 35.42 C ATOM 776 OG SER A 83 14.557 6.134 12.504 1.00 37.11 O ATOM 777 HG SER A 83 14.955 6.969 12.150 1.00 0.00 H ATOM 778 H SER A 83 13.723 5.210 14.743 1.00 0.00 H ATOM 779 N GLU A 84 12.143 3.608 10.984 1.00 36.16 N ATOM 780 CA GLU A 84 12.502 2.685 9.879 1.00 38.06 C ATOM 781 C GLU A 84 13.938 2.917 9.383 1.00 41.40 C ATOM 782 O GLU A 84 14.646 1.963 9.032 1.00 40.47 O ATOM 783 CB GLU A 84 11.532 2.898 8.706 1.00 38.73 C ATOM 784 CG GLU A 84 11.679 1.986 7.482 1.00 39.61 C ATOM 785 CD GLU A 84 11.455 0.509 7.768 1.00 38.86 C ATOM 786 OE1 GLU A 84 10.765 0.169 8.746 1.00 36.97 O ATOM 787 OE2 GLU A 84 11.973 -0.330 6.999 1.00 40.81 O ATOM 788 H GLU A 84 11.280 4.179 10.880 1.00 0.00 H ATOM 789 N ASP A 85 14.323 4.198 9.326 1.00 42.31 N ATOM 790 CA ASP A 85 15.704 4.634 9.081 1.00 44.83 C ATOM 791 C ASP A 85 16.689 4.047 10.102 1.00 43.55 C ATOM 792 O ASP A 85 17.700 3.460 9.717 1.00 44.50 O ATOM 793 CB ASP A 85 15.778 6.173 9.106 1.00 47.28 C ATOM 794 CG ASP A 85 17.107 6.715 8.602 1.00 50.99 C ATOM 795 OD1 ASP A 85 17.561 6.305 7.511 1.00 51.11 O ATOM 796 OD2 ASP A 85 17.698 7.574 9.291 1.00 54.71 O ATOM 797 H ASP A 85 13.598 4.931 9.464 1.00 0.00 H ATOM 798 N ALA A 86 16.375 4.218 11.386 1.00 41.15 N ATOM 799 CA ALA A 86 17.173 3.650 12.494 1.00 41.83 C ATOM 800 C ALA A 86 17.120 2.112 12.605 1.00 40.34 C ATOM 801 O ALA A 86 18.120 1.488 12.982 1.00 39.96 O ATOM 802 CB ALA A 86 16.752 4.272 13.822 1.00 41.66 C ATOM 803 H ALA A 86 15.530 4.777 11.620 1.00 0.00 H ATOM 804 N TYR A 87 15.967 1.525 12.272 1.00 37.46 N ATOM 805 CA TYR A 87 15.684 0.095 12.456 1.00 36.72 C ATOM 806 C TYR A 87 14.752 -0.400 11.311 1.00 34.98 C ATOM 807 O TYR A 87 13.521 -0.336 11.437 1.00 31.34 O ATOM 808 CB TYR A 87 15.066 -0.110 13.848 1.00 35.17 C ATOM 809 CG TYR A 87 15.130 -1.511 14.448 1.00 34.90 C ATOM 810 CD1 TYR A 87 15.226 -2.682 13.658 1.00 35.15 C ATOM 811 CD2 TYR A 87 15.041 -1.671 15.833 1.00 34.30 C ATOM 812 CE1 TYR A 87 15.266 -3.945 14.240 1.00 35.56 C ATOM 813 CE2 TYR A 87 15.078 -2.931 16.417 1.00 35.84 C ATOM 814 CZ TYR A 87 15.184 -4.061 15.618 1.00 35.30 C ATOM 815 OH TYR A 87 15.220 -5.289 16.207 1.00 35.27 O ATOM 816 HH TYR A 87 15.297 -5.987 15.509 1.00 0.00 H ATOM 817 H TYR A 87 15.222 2.119 11.856 1.00 0.00 H ATOM 818 N PRO A 88 15.341 -0.894 10.192 1.00 37.62 N ATOM 819 CA PRO A 88 14.543 -1.227 8.998 1.00 37.78 C ATOM 820 C PRO A 88 13.936 -2.634 8.993 1.00 38.24 C ATOM 821 O PRO A 88 14.388 -3.514 9.729 1.00 37.87 O ATOM 822 CB PRO A 88 15.550 -1.056 7.860 1.00 39.57 C ATOM 823 CG PRO A 88 16.843 -1.464 8.471 1.00 41.63 C ATOM 824 CD PRO A 88 16.784 -1.077 9.928 1.00 40.61 C ATOM 825 N TYR A 89 12.931 -2.817 8.131 1.00 39.23 N ATOM 826 CA TYR A 89 12.184 -4.069 8.004 1.00 39.93 C ATOM 827 C TYR A 89 12.930 -5.072 7.118 1.00 41.78 C ATOM 828 O TYR A 89 13.200 -4.784 5.953 1.00 43.51 O ATOM 829 CB TYR A 89 10.781 -3.811 7.438 1.00 38.88 C ATOM 830 CG TYR A 89 9.859 -5.007 7.547 1.00 38.80 C ATOM 831 CD1 TYR A 89 9.330 -5.390 8.787 1.00 38.17 C ATOM 832 CD2 TYR A 89 9.515 -5.771 6.418 1.00 39.65 C ATOM 833 CE1 TYR A 89 8.489 -6.492 8.906 1.00 37.84 C ATOM 834 CE2 TYR A 89 8.665 -6.872 6.526 1.00 39.67 C ATOM 835 CZ TYR A 89 8.158 -7.231 7.776 1.00 39.51 C ATOM 836 OH TYR A 89 7.322 -8.313 7.918 1.00 40.42 O ATOM 837 HH TYR A 89 7.068 -8.410 8.870 1.00 0.00 H ATOM 838 H TYR A 89 12.664 -2.023 7.514 1.00 0.00 H ATOM 839 N VAL A 90 13.240 -6.239 7.690 1.00 43.47 N ATOM 840 CA VAL A 90 13.911 -7.368 6.990 1.00 45.42 C ATOM 841 C VAL A 90 12.998 -8.567 6.628 1.00 46.52 C ATOM 842 O VAL A 90 13.387 -9.388 5.788 1.00 51.34 O ATOM 843 CB VAL A 90 15.183 -7.866 7.748 1.00 45.48 C ATOM 844 CG1 VAL A 90 16.238 -6.770 7.786 1.00 46.11 C ATOM 845 CG2 VAL A 90 14.896 -8.372 9.162 1.00 43.36 C ATOM 846 H VAL A 90 12.996 -6.367 8.693 1.00 0.00 H ATOM 847 N GLY A 91 11.818 -8.677 7.253 1.00 46.07 N ATOM 848 CA GLY A 91 10.831 -9.730 6.944 1.00 46.55 C ATOM 849 C GLY A 91 10.957 -11.063 7.675 1.00 48.50 C ATOM 850 O GLY A 91 10.434 -12.069 7.193 1.00 51.48 O ATOM 851 H GLY A 91 11.586 -7.985 7.994 1.00 0.00 H ATOM 852 N GLN A 92 11.640 -11.072 8.825 1.00 49.01 N ATOM 853 CA GLN A 92 11.770 -12.255 9.706 1.00 51.05 C ATOM 854 C GLN A 92 11.776 -11.809 11.169 1.00 49.53 C ATOM 855 O GLN A 92 12.042 -10.639 11.465 1.00 45.87 O ATOM 856 CB GLN A 92 13.061 -13.041 9.399 1.00 53.98 C ATOM 857 CG GLN A 92 12.882 -14.224 8.454 1.00 58.16 C ATOM 858 CD GLN A 92 14.194 -14.906 8.057 1.00 62.24 C ATOM 859 OE1 GLN A 92 14.441 -15.130 6.872 1.00 65.51 O ATOM 860 NE2 GLN A 92 15.033 -15.248 9.040 1.00 62.73 N ATOM 861 HE22 GLN A 92 14.787 -15.041 10.029 1.00 0.00 H ATOM 862 HE21 GLN A 92 15.932 -15.721 8.816 1.00 0.00 H ATOM 863 H GLN A 92 12.110 -10.192 9.119 1.00 0.00 H ATOM 864 N GLU A 93 11.488 -12.750 12.069 1.00 50.64 N ATOM 865 CA GLU A 93 11.667 -12.535 13.510 1.00 50.51 C ATOM 866 C GLU A 93 13.130 -12.795 13.855 1.00 50.75 C ATOM 867 O GLU A 93 13.672 -13.837 13.478 1.00 50.55 O ATOM 868 CB GLU A 93 10.755 -13.449 14.334 1.00 52.86 C ATOM 869 CG GLU A 93 10.482 -12.912 15.738 1.00 54.74 C ATOM 870 CD GLU A 93 9.908 -13.943 16.701 1.00 58.53 C ATOM 871 OE1 GLU A 93 9.342 -14.970 16.252 1.00 61.82 O ATOM 872 OE2 GLU A 93 10.021 -13.718 17.927 1.00 57.63 O ATOM 873 H GLU A 93 11.124 -13.667 11.739 1.00 0.00 H ATOM 874 N GLU A 94 13.764 -11.848 14.552 1.00 50.59 N ATOM 875 CA GLU A 94 15.144 -12.020 15.060 1.00 52.05 C ATOM 876 C GLU A 94 15.398 -11.153 16.325 1.00 49.61 C ATOM 877 O GLU A 94 14.438 -10.655 16.920 1.00 46.64 O ATOM 878 CB GLU A 94 16.152 -11.790 13.916 1.00 53.47 C ATOM 879 CG GLU A 94 16.128 -10.407 13.274 1.00 52.48 C ATOM 880 CD GLU A 94 17.231 -10.223 12.240 1.00 55.00 C ATOM 881 OE1 GLU A 94 17.795 -9.109 12.168 1.00 54.71 O ATOM 882 OE2 GLU A 94 17.548 -11.186 11.500 1.00 57.46 O ATOM 883 H GLU A 94 13.268 -10.954 14.745 1.00 0.00 H ATOM 884 N SER A 95 16.661 -11.028 16.754 1.00 48.88 N ATOM 885 CA SER A 95 17.042 -10.352 18.007 1.00 46.86 C ATOM 886 C SER A 95 16.702 -8.865 18.075 1.00 43.47 C ATOM 887 O SER A 95 16.821 -8.150 17.081 1.00 40.76 O ATOM 888 CB SER A 95 18.549 -10.502 18.236 1.00 49.26 C ATOM 889 OG SER A 95 19.281 -10.001 17.128 1.00 48.77 O ATOM 890 HG SER A 95 19.071 -9.042 17.002 1.00 0.00 H ATOM 891 H SER A 95 17.418 -11.432 16.167 1.00 0.00 H ATOM 892 N CYS A 96 16.307 -8.413 19.266 1.00 43.64 N ATOM 893 CA CYS A 96 16.032 -6.994 19.519 1.00 42.30 C ATOM 894 C CYS A 96 17.316 -6.176 19.444 1.00 43.24 C ATOM 895 O CYS A 96 18.284 -6.505 20.125 1.00 44.69 O ATOM 896 CB CYS A 96 15.402 -6.796 20.899 1.00 42.09 C ATOM 897 SG CYS A 96 14.841 -5.099 21.208 1.00 41.18 S ATOM 898 H CYS A 96 16.189 -9.092 20.045 1.00 0.00 H ATOM 899 N MET A 97 17.320 -5.140 18.603 1.00 42.52 N ATOM 900 CA MET A 97 18.418 -4.170 18.530 1.00 44.77 C ATOM 901 C MET A 97 17.884 -2.736 18.624 1.00 42.28 C ATOM 902 O MET A 97 18.276 -1.856 17.843 1.00 43.27 O ATOM 903 CB MET A 97 19.236 -4.403 17.257 1.00 47.93 C ATOM 904 CG MET A 97 20.034 -5.691 17.277 1.00 52.30 C ATOM 905 SD MET A 97 21.197 -5.762 15.905 1.00 62.63 S ATOM 906 CE MET A 97 22.511 -4.578 16.569 1.00 61.37 C ATOM 907 H MET A 97 16.505 -5.014 17.969 1.00 0.00 H ATOM 908 N TYR A 98 17.007 -2.500 19.605 1.00 40.32 N ATOM 909 CA TYR A 98 16.510 -1.148 19.894 1.00 39.71 C ATOM 910 C TYR A 98 17.669 -0.269 20.380 1.00 41.78 C ATOM 911 O TYR A 98 18.282 -0.578 21.405 1.00 44.23 O ATOM 912 CB TYR A 98 15.397 -1.154 20.944 1.00 37.73 C ATOM 913 CG TYR A 98 15.027 0.242 21.400 1.00 37.81 C ATOM 914 CD1 TYR A 98 14.353 1.122 20.541 1.00 35.89 C ATOM 915 CD2 TYR A 98 15.372 0.707 22.688 1.00 39.16 C ATOM 916 CE1 TYR A 98 14.020 2.416 20.944 1.00 36.46 C ATOM 917 CE2 TYR A 98 15.036 2.001 23.104 1.00 39.49 C ATOM 918 CZ TYR A 98 14.359 2.851 22.230 1.00 38.32 C ATOM 919 OH TYR A 98 14.033 4.128 22.630 1.00 39.89 O ATOM 920 HH TYR A 98 13.559 4.592 21.895 1.00 0.00 H ATOM 921 H TYR A 98 16.667 -3.297 20.180 1.00 0.00 H ATOM 922 N ASN A 99 17.965 0.796 19.628 1.00 42.02 N ATOM 923 CA ASN A 99 18.986 1.774 19.994 1.00 43.71 C ATOM 924 C ASN A 99 18.280 3.084 20.377 1.00 43.12 C ATOM 925 O ASN A 99 17.743 3.757 19.496 1.00 42.85 O ATOM 926 CB ASN A 99 19.960 1.980 18.829 1.00 44.82 C ATOM 927 CG ASN A 99 21.218 2.731 19.245 1.00 48.15 C ATOM 928 OD1 ASN A 99 21.148 3.874 19.696 1.00 49.19 O ATOM 929 ND2 ASN A 99 22.378 2.096 19.094 1.00 50.29 N ATOM 930 HD22 ASN A 99 22.396 1.130 18.709 1.00 0.00 H ATOM 931 HD21 ASN A 99 23.267 2.566 19.361 1.00 0.00 H ATOM 932 H ASN A 99 17.443 0.935 18.739 1.00 0.00 H ATOM 933 N PRO A 100 18.305 3.479 21.675 1.00 43.57 N ATOM 934 CA PRO A 100 17.589 4.717 22.072 1.00 44.19 C ATOM 935 C PRO A 100 18.053 6.070 21.446 1.00 44.72 C ATOM 936 O PRO A 100 17.349 7.064 21.612 1.00 43.74 O ATOM 937 CB PRO A 100 17.741 4.733 23.604 1.00 45.32 C ATOM 938 CG PRO A 100 18.959 3.927 23.870 1.00 46.63 C ATOM 939 CD PRO A 100 18.954 2.844 22.840 1.00 44.66 C ATOM 940 N THR A 101 19.202 6.104 20.757 1.00 46.40 N ATOM 941 CA THR A 101 19.624 7.261 19.928 1.00 47.58 C ATOM 942 C THR A 101 18.701 7.477 18.724 1.00 45.88 C ATOM 943 O THR A 101 18.262 8.599 18.472 1.00 47.23 O ATOM 944 CB THR A 101 21.076 7.089 19.417 1.00 49.26 C ATOM 945 OG1 THR A 101 21.929 6.774 20.521 1.00 50.57 O ATOM 946 CG2 THR A 101 21.611 8.358 18.718 1.00 51.46 C ATOM 947 HG1 THR A 101 21.623 5.933 20.943 1.00 0.00 H ATOM 948 H THR A 101 19.831 5.277 20.806 1.00 0.00 H ATOM 949 N GLY A 102 18.422 6.398 17.992 1.00 44.11 N ATOM 950 CA GLY A 102 17.471 6.409 16.870 1.00 42.57 C ATOM 951 C GLY A 102 15.974 6.456 17.181 1.00 41.04 C ATOM 952 O GLY A 102 15.162 6.247 16.275 1.00 39.11 O ATOM 953 H GLY A 102 18.900 5.505 18.226 1.00 0.00 H ATOM 954 N LYS A 103 15.617 6.660 18.458 1.00 42.26 N ATOM 955 CA LYS A 103 14.263 7.040 18.938 1.00 40.77 C ATOM 956 C LYS A 103 13.566 8.087 18.058 1.00 39.51 C ATOM 957 O LYS A 103 14.199 9.043 17.597 1.00 40.01 O ATOM 958 CB LYS A 103 14.356 7.586 20.382 1.00 44.41 C ATOM 959 CG LYS A 103 13.062 7.681 21.190 1.00 44.43 C ATOM 960 CD LYS A 103 13.125 8.687 22.350 1.00 45.58 C ATOM 961 CE LYS A 103 14.398 8.660 23.202 1.00 47.80 C ATOM 962 NZ LYS A 103 14.691 7.367 23.874 1.00 47.46 N ATOM 963 HZ1 LYS A 103 13.906 7.123 24.511 1.00 0.00 H ATOM 964 HZ2 LYS A 103 14.802 6.622 23.157 1.00 0.00 H ATOM 965 HZ3 LYS A 103 15.570 7.454 24.423 1.00 0.00 H ATOM 966 H LYS A 103 16.357 6.541 19.179 1.00 0.00 H ATOM 967 N ALA A 104 12.261 7.891 17.875 1.00 37.37 N ATOM 968 CA ALA A 104 11.446 8.629 16.901 1.00 37.31 C ATOM 969 C ALA A 104 10.053 8.987 17.440 1.00 36.91 C ATOM 970 O ALA A 104 9.573 10.096 17.220 1.00 39.33 O ATOM 971 CB ALA A 104 11.332 7.816 15.625 1.00 36.32 C ATOM 972 H ALA A 104 11.790 7.170 18.458 1.00 0.00 H ATOM 973 N ALA A 105 9.388 8.030 18.081 1.00 35.81 N ATOM 974 CA ALA A 105 8.225 8.288 18.927 1.00 35.84 C ATOM 975 C ALA A 105 8.374 7.592 20.280 1.00 36.90 C ATOM 976 O ALA A 105 9.147 6.641 20.429 1.00 36.25 O ATOM 977 CB ALA A 105 6.965 7.811 18.232 1.00 34.31 C ATOM 978 H ALA A 105 9.712 7.048 17.975 1.00 0.00 H ATOM 979 N LYS A 106 7.643 8.116 21.260 1.00 38.73 N ATOM 980 CA LYS A 106 7.379 7.466 22.547 1.00 38.63 C ATOM 981 C LYS A 106 5.879 7.180 22.587 1.00 37.77 C ATOM 982 O LYS A 106 5.188 7.454 21.614 1.00 37.62 O ATOM 983 CB LYS A 106 7.785 8.397 23.687 1.00 41.27 C ATOM 984 CG LYS A 106 9.284 8.604 23.825 1.00 43.33 C ATOM 985 CD LYS A 106 9.573 9.756 24.781 1.00 45.82 C ATOM 986 CE LYS A 106 11.005 9.759 25.275 1.00 47.13 C ATOM 987 NZ LYS A 106 11.124 10.681 26.434 1.00 50.43 N ATOM 988 HZ1 LYS A 106 10.855 11.642 26.140 1.00 0.00 H ATOM 989 HZ2 LYS A 106 10.493 10.361 27.196 1.00 0.00 H ATOM 990 HZ3 LYS A 106 12.107 10.684 26.774 1.00 0.00 H ATOM 991 H LYS A 106 7.228 9.056 21.101 1.00 0.00 H ATOM 992 N CYS A 107 5.384 6.625 23.692 1.00 38.82 N ATOM 993 CA CYS A 107 3.947 6.382 23.896 1.00 39.37 C ATOM 994 C CYS A 107 3.559 6.600 25.371 1.00 41.26 C ATOM 995 O CYS A 107 4.134 5.955 26.237 1.00 40.69 O ATOM 996 CB CYS A 107 3.642 4.949 23.469 1.00 37.97 C ATOM 997 SG CYS A 107 1.933 4.405 23.637 1.00 38.19 S ATOM 998 H CYS A 107 6.045 6.350 24.447 1.00 0.00 H ATOM 999 N ARG A 108 2.606 7.503 25.647 1.00 44.36 N ATOM 1000 CA ARG A 108 2.083 7.746 27.030 1.00 50.08 C ATOM 1001 C ARG A 108 1.150 6.660 27.593 1.00 50.23 C ATOM 1002 O ARG A 108 0.949 6.603 28.806 1.00 54.70 O ATOM 1003 CB ARG A 108 1.331 9.089 27.126 1.00 53.91 C ATOM 1004 CG ARG A 108 2.196 10.322 26.958 1.00 57.06 C ATOM 1005 CD ARG A 108 1.477 11.593 27.416 1.00 60.70 C ATOM 1006 NE ARG A 108 1.580 11.806 28.868 1.00 66.66 N ATOM 1007 CZ ARG A 108 1.201 12.908 29.533 1.00 70.04 C ATOM 1008 NH1 ARG A 108 0.667 13.963 28.905 1.00 73.00 N ATOM 1009 NH2 ARG A 108 1.356 12.958 30.861 1.00 72.73 N ATOM 1010 HE ARG A 108 1.984 11.031 29.431 1.00 0.00 H ATOM 1011 HH12 ARG A 108 0.383 14.803 29.449 1.00 0.00 H ATOM 1012 HH11 ARG A 108 0.536 13.943 27.873 1.00 0.00 H ATOM 1013 HH22 ARG A 108 1.066 13.807 31.387 1.00 0.00 H ATOM 1014 HH21 ARG A 108 1.767 12.148 31.367 1.00 0.00 H ATOM 1015 H ARG A 108 2.211 8.061 24.863 1.00 0.00 H ATOM 1016 N GLY A 109 0.569 5.838 26.719 1.00 48.98 N ATOM 1017 CA GLY A 109 -0.433 4.822 27.088 1.00 47.43 C ATOM 1018 C GLY A 109 -1.244 4.419 25.867 1.00 43.86 C ATOM 1019 O GLY A 109 -0.878 4.762 24.738 1.00 43.86 O ATOM 1020 H GLY A 109 0.839 5.918 25.718 1.00 0.00 H ATOM 1021 N TYR A 110 -2.339 3.699 26.081 1.00 40.94 N ATOM 1022 CA TYR A 110 -3.279 3.380 24.995 1.00 40.11 C ATOM 1023 C TYR A 110 -4.718 3.338 25.490 1.00 40.88 C ATOM 1024 O TYR A 110 -4.966 3.278 26.700 1.00 46.58 O ATOM 1025 CB TYR A 110 -2.893 2.057 24.302 1.00 38.83 C ATOM 1026 CG TYR A 110 -3.103 0.816 25.152 1.00 40.79 C ATOM 1027 CD1 TYR A 110 -4.319 0.107 25.107 1.00 40.16 C ATOM 1028 CD2 TYR A 110 -2.093 0.345 26.012 1.00 41.03 C ATOM 1029 CE1 TYR A 110 -4.525 -1.027 25.892 1.00 41.27 C ATOM 1030 CE2 TYR A 110 -2.290 -0.795 26.796 1.00 42.40 C ATOM 1031 CZ TYR A 110 -3.506 -1.479 26.732 1.00 42.25 C ATOM 1032 OH TYR A 110 -3.719 -2.598 27.501 1.00 41.79 O ATOM 1033 HH TYR A 110 -4.629 -2.948 27.327 1.00 0.00 H ATOM 1034 H TYR A 110 -2.537 3.352 27.041 1.00 0.00 H ATOM 1035 N ARG A 111 -5.650 3.365 24.537 1.00 37.90 N ATOM 1036 CA ARG A 111 -7.086 3.212 24.800 1.00 38.60 C ATOM 1037 C ARG A 111 -7.706 2.205 23.837 1.00 36.36 C ATOM 1038 O ARG A 111 -7.239 2.042 22.708 1.00 33.81 O ATOM 1039 CB ARG A 111 -7.805 4.555 24.696 1.00 39.53 C ATOM 1040 CG ARG A 111 -7.566 5.476 25.882 1.00 42.44 C ATOM 1041 CD ARG A 111 -8.293 5.065 27.135 1.00 42.40 C ATOM 1042 NE ARG A 111 -9.742 5.215 27.026 1.00 43.64 N ATOM 1043 CZ ARG A 111 -10.597 4.887 27.988 1.00 46.00 C ATOM 1044 NH1 ARG A 111 -10.151 4.392 29.134 1.00 47.42 N ATOM 1045 NH2 ARG A 111 -11.900 5.055 27.807 1.00 47.23 N ATOM 1046 HE ARG A 111 -10.128 5.602 26.141 1.00 0.00 H ATOM 1047 HH12 ARG A 111 -10.822 4.136 29.886 1.00 0.00 H ATOM 1048 HH11 ARG A 111 -9.130 4.260 29.281 1.00 0.00 H ATOM 1049 HH22 ARG A 111 -12.567 4.797 28.562 1.00 0.00 H ATOM 1050 HH21 ARG A 111 -12.254 5.444 26.910 1.00 0.00 H ATOM 1051 H ARG A 111 -5.343 3.502 23.553 1.00 0.00 H ATOM 1052 N GLU A 112 -8.765 1.554 24.309 1.00 37.15 N ATOM 1053 CA GLU A 112 -9.484 0.519 23.581 1.00 37.28 C ATOM 1054 C GLU A 112 -10.915 0.976 23.348 1.00 38.34 C ATOM 1055 O GLU A 112 -11.533 1.562 24.247 1.00 40.60 O ATOM 1056 CB GLU A 112 -9.521 -0.758 24.408 1.00 38.47 C ATOM 1057 CG GLU A 112 -8.161 -1.288 24.817 1.00 38.35 C ATOM 1058 CD GLU A 112 -8.263 -2.652 25.475 1.00 40.67 C ATOM 1059 OE1 GLU A 112 -9.018 -2.786 26.466 1.00 43.24 O ATOM 1060 OE2 GLU A 112 -7.596 -3.591 24.995 1.00 39.53 O ATOM 1061 H GLU A 112 -9.102 1.801 25.261 1.00 0.00 H ATOM 1062 N ILE A 113 -11.441 0.679 22.162 1.00 36.54 N ATOM 1063 CA ILE A 113 -12.830 0.999 21.791 1.00 38.72 C ATOM 1064 C ILE A 113 -13.713 -0.117 22.406 1.00 40.71 C ATOM 1065 O ILE A 113 -13.245 -1.256 22.520 1.00 41.25 O ATOM 1066 CB ILE A 113 -12.965 1.159 20.231 1.00 37.96 C ATOM 1067 CG1 ILE A 113 -12.481 2.553 19.775 1.00 37.13 C ATOM 1068 CG2 ILE A 113 -14.397 0.973 19.716 1.00 38.85 C ATOM 1069 CD1 ILE A 113 -11.021 2.874 20.021 1.00 36.37 C ATOM 1070 H ILE A 113 -10.841 0.197 21.462 1.00 0.00 H ATOM 1071 N PRO A 114 -14.964 0.199 22.841 1.00 43.65 N ATOM 1072 CA PRO A 114 -15.870 -0.881 23.301 1.00 46.26 C ATOM 1073 C PRO A 114 -16.221 -1.897 22.201 1.00 46.86 C ATOM 1074 O PRO A 114 -16.395 -1.515 21.042 1.00 43.89 O ATOM 1075 CB PRO A 114 -17.125 -0.127 23.780 1.00 48.16 C ATOM 1076 CG PRO A 114 -17.008 1.246 23.224 1.00 47.18 C ATOM 1077 CD PRO A 114 -15.539 1.524 23.141 1.00 45.53 C ATOM 1078 N GLU A 115 -16.322 -3.167 22.593 1.00 49.20 N ATOM 1079 CA GLU A 115 -16.391 -4.295 21.654 1.00 50.13 C ATOM 1080 C GLU A 115 -17.700 -4.284 20.848 1.00 52.49 C ATOM 1081 O GLU A 115 -18.789 -4.226 21.430 1.00 56.24 O ATOM 1082 CB GLU A 115 -16.239 -5.628 22.410 1.00 53.30 C ATOM 1083 CG GLU A 115 -15.964 -6.854 21.536 1.00 53.14 C ATOM 1084 CD GLU A 115 -15.879 -8.160 22.321 1.00 53.94 C ATOM 1085 OE1 GLU A 115 -15.811 -8.132 23.567 1.00 54.29 O ATOM 1086 OE2 GLU A 115 -15.875 -9.230 21.677 1.00 53.59 O ATOM 1087 H GLU A 115 -16.353 -3.369 23.613 1.00 0.00 H ATOM 1088 N GLY A 116 -17.576 -4.323 19.519 1.00 49.79 N ATOM 1089 CA GLY A 116 -18.721 -4.295 18.610 1.00 49.77 C ATOM 1090 C GLY A 116 -19.462 -2.971 18.526 1.00 49.65 C ATOM 1091 O GLY A 116 -20.661 -2.957 18.221 1.00 51.48 O ATOM 1092 H GLY A 116 -16.621 -4.376 19.112 1.00 0.00 H ATOM 1093 N ASN A 117 -18.746 -1.868 18.769 1.00 47.18 N ATOM 1094 CA ASN A 117 -19.306 -0.522 18.804 1.00 46.67 C ATOM 1095 C ASN A 117 -18.655 0.285 17.671 1.00 44.98 C ATOM 1096 O ASN A 117 -17.608 0.921 17.849 1.00 43.11 O ATOM 1097 CB ASN A 117 -19.066 0.086 20.192 1.00 47.73 C ATOM 1098 CG ASN A 117 -19.944 1.299 20.475 1.00 50.12 C ATOM 1099 OD1 ASN A 117 -20.229 2.102 19.581 1.00 50.07 O ATOM 1100 ND2 ASN A 117 -20.350 1.460 21.733 1.00 52.20 N ATOM 1101 HD22 ASN A 117 -20.089 0.761 22.457 1.00 0.00 H ATOM 1102 HD21 ASN A 117 -20.928 2.285 21.991 1.00 0.00 H ATOM 1103 H ASN A 117 -17.727 -1.977 18.944 1.00 0.00 H ATOM 1104 N GLU A 118 -19.283 0.217 16.493 1.00 45.94 N ATOM 1105 CA GLU A 118 -18.858 0.989 15.306 1.00 43.75 C ATOM 1106 C GLU A 118 -19.014 2.504 15.474 1.00 42.57 C ATOM 1107 O GLU A 118 -18.224 3.258 14.918 1.00 40.16 O ATOM 1108 CB GLU A 118 -19.614 0.537 14.050 1.00 44.00 C ATOM 1109 CG GLU A 118 -19.289 -0.882 13.616 1.00 43.48 C ATOM 1110 CD GLU A 118 -19.746 -1.165 12.202 1.00 42.98 C ATOM 1111 OE1 GLU A 118 -19.032 -0.757 11.261 1.00 39.78 O ATOM 1112 OE2 GLU A 118 -20.826 -1.771 12.025 1.00 44.66 O ATOM 1113 H GLU A 118 -20.110 -0.408 16.407 1.00 0.00 H ATOM 1114 N LYS A 119 -20.030 2.932 16.229 1.00 44.75 N ATOM 1115 CA LYS A 119 -20.205 4.353 16.589 1.00 45.16 C ATOM 1116 C LYS A 119 -19.049 4.883 17.459 1.00 43.59 C ATOM 1117 O LYS A 119 -18.615 6.019 17.279 1.00 43.71 O ATOM 1118 CB LYS A 119 -21.546 4.588 17.299 1.00 48.23 C ATOM 1119 CG LYS A 119 -22.796 4.261 16.484 1.00 49.96 C ATOM 1120 CD LYS A 119 -22.988 5.191 15.297 1.00 50.22 C ATOM 1121 CE LYS A 119 -24.362 4.991 14.667 1.00 50.41 C ATOM 1122 NZ LYS A 119 -24.608 5.939 13.546 1.00 50.91 N ATOM 1123 HZ1 LYS A 119 -24.553 6.915 13.901 1.00 0.00 H ATOM 1124 HZ2 LYS A 119 -23.889 5.796 12.808 1.00 0.00 H ATOM 1125 HZ3 LYS A 119 -25.553 5.766 13.149 1.00 0.00 H ATOM 1126 H LYS A 119 -20.723 2.238 16.576 1.00 0.00 H ATOM 1127 N ALA A 120 -18.551 4.051 18.376 1.00 43.49 N ATOM 1128 CA ALA A 120 -17.402 4.399 19.239 1.00 43.10 C ATOM 1129 C ALA A 120 -16.091 4.517 18.452 1.00 40.49 C ATOM 1130 O ALA A 120 -15.334 5.474 18.640 1.00 39.65 O ATOM 1131 CB ALA A 120 -17.253 3.381 20.360 1.00 43.28 C ATOM 1132 H ALA A 120 -18.991 3.115 18.489 1.00 0.00 H ATOM 1133 N LEU A 121 -15.841 3.530 17.588 1.00 39.50 N ATOM 1134 CA LEU A 121 -14.742 3.565 16.601 1.00 37.64 C ATOM 1135 C LEU A 121 -14.809 4.782 15.663 1.00 38.65 C ATOM 1136 O LEU A 121 -13.769 5.327 15.299 1.00 38.38 O ATOM 1137 CB LEU A 121 -14.728 2.268 15.776 1.00 36.04 C ATOM 1138 CG LEU A 121 -13.651 2.052 14.703 1.00 34.38 C ATOM 1139 CD1 LEU A 121 -12.248 2.038 15.308 1.00 32.75 C ATOM 1140 CD2 LEU A 121 -13.937 0.761 13.938 1.00 33.26 C ATOM 1141 H LEU A 121 -16.454 2.690 17.611 1.00 0.00 H ATOM 1142 N LYS A 122 -16.022 5.190 15.275 1.00 40.74 N ATOM 1143 CA LYS A 122 -16.244 6.389 14.432 1.00 42.06 C ATOM 1144 C LYS A 122 -15.825 7.656 15.187 1.00 44.11 C ATOM 1145 O LYS A 122 -15.073 8.481 14.654 1.00 44.40 O ATOM 1146 CB LYS A 122 -17.717 6.492 13.989 1.00 42.89 C ATOM 1147 CG LYS A 122 -18.010 7.514 12.895 1.00 43.95 C ATOM 1148 CD LYS A 122 -19.464 7.964 12.916 1.00 46.46 C ATOM 1149 CE LYS A 122 -19.764 8.986 11.838 1.00 45.30 C ATOM 1150 NZ LYS A 122 -21.174 9.461 11.882 1.00 48.18 N ATOM 1151 HZ1 LYS A 122 -21.815 8.653 11.747 1.00 0.00 H ATOM 1152 HZ2 LYS A 122 -21.361 9.903 12.805 1.00 0.00 H ATOM 1153 HZ3 LYS A 122 -21.328 10.158 11.125 1.00 0.00 H ATOM 1154 H LYS A 122 -16.850 4.639 15.580 1.00 0.00 H ATOM 1155 N ARG A 123 -16.308 7.779 16.425 1.00 45.71 N ATOM 1156 CA ARG A 123 -15.903 8.862 17.339 1.00 47.58 C ATOM 1157 C ARG A 123 -14.394 8.865 17.634 1.00 45.96 C ATOM 1158 O ARG A 123 -13.790 9.933 17.726 1.00 48.02 O ATOM 1159 CB ARG A 123 -16.695 8.790 18.651 1.00 49.56 C ATOM 1160 CG ARG A 123 -16.605 10.045 19.504 1.00 51.67 C ATOM 1161 CD ARG A 123 -17.546 9.903 20.672 1.00 52.50 C ATOM 1162 NE ARG A 123 -17.202 8.785 21.548 1.00 51.68 N ATOM 1163 CZ ARG A 123 -17.891 7.650 21.617 1.00 51.59 C ATOM 1164 NH1 ARG A 123 -18.967 7.479 20.863 1.00 52.18 N ATOM 1165 NH2 ARG A 123 -17.504 6.686 22.442 1.00 51.18 N ATOM 1166 HE ARG A 123 -16.364 8.884 22.157 1.00 0.00 H ATOM 1167 HH12 ARG A 123 -19.505 6.591 20.918 1.00 0.00 H ATOM 1168 HH11 ARG A 123 -19.274 8.233 20.216 1.00 0.00 H ATOM 1169 HH22 ARG A 123 -18.044 5.799 22.495 1.00 0.00 H ATOM 1170 HH21 ARG A 123 -16.661 6.817 23.036 1.00 0.00 H ATOM 1171 H ARG A 123 -17.001 7.080 16.760 1.00 0.00 H ATOM 1172 N ALA A 124 -13.803 7.675 17.764 1.00 44.29 N ATOM 1173 CA ALA A 124 -12.354 7.525 17.957 1.00 41.42 C ATOM 1174 C ALA A 124 -11.540 8.021 16.755 1.00 40.02 C ATOM 1175 O ALA A 124 -10.639 8.846 16.908 1.00 38.99 O ATOM 1176 CB ALA A 124 -12.011 6.078 18.260 1.00 39.69 C ATOM 1177 H ALA A 124 -14.392 6.819 17.727 1.00 0.00 H ATOM 1178 N VAL A 125 -11.878 7.519 15.571 1.00 39.07 N ATOM 1179 CA VAL A 125 -11.182 7.884 14.317 1.00 39.06 C ATOM 1180 C VAL A 125 -11.236 9.404 14.069 1.00 40.77 C ATOM 1181 O VAL A 125 -10.197 10.024 13.829 1.00 39.29 O ATOM 1182 CB VAL A 125 -11.726 7.067 13.107 1.00 37.81 C ATOM 1183 CG1 VAL A 125 -11.252 7.617 11.758 1.00 38.52 C ATOM 1184 CG2 VAL A 125 -11.298 5.608 13.231 1.00 36.69 C ATOM 1185 H VAL A 125 -12.665 6.841 15.524 1.00 0.00 H ATOM 1186 N ALA A 126 -12.440 9.971 14.173 1.00 43.43 N ATOM 1187 CA ALA A 126 -12.688 11.419 13.994 1.00 46.14 C ATOM 1188 C ALA A 126 -11.858 12.336 14.898 1.00 46.70 C ATOM 1189 O ALA A 126 -11.405 13.389 14.444 1.00 48.97 O ATOM 1190 CB ALA A 126 -14.171 11.734 14.174 1.00 47.67 C ATOM 1191 H ALA A 126 -13.252 9.359 14.393 1.00 0.00 H ATOM 1192 N ARG A 127 -11.655 11.925 16.150 1.00 46.29 N ATOM 1193 CA ARG A 127 -10.970 12.750 17.159 1.00 48.82 C ATOM 1194 C ARG A 127 -9.469 12.458 17.307 1.00 47.00 C ATOM 1195 O ARG A 127 -8.674 13.391 17.452 1.00 46.62 O ATOM 1196 CB ARG A 127 -11.688 12.631 18.508 1.00 50.16 C ATOM 1197 CG ARG A 127 -13.067 13.271 18.482 1.00 53.35 C ATOM 1198 CD ARG A 127 -13.746 13.240 19.840 1.00 55.06 C ATOM 1199 NE ARG A 127 -15.194 13.469 19.730 1.00 57.17 N ATOM 1200 CZ ARG A 127 -16.110 13.213 20.676 1.00 57.52 C ATOM 1201 NH1 ARG A 127 -15.771 12.696 21.862 1.00 57.64 N ATOM 1202 NH2 ARG A 127 -17.398 13.468 20.427 1.00 58.16 N ATOM 1203 HE ARG A 127 -15.541 13.867 18.834 1.00 0.00 H ATOM 1204 HH12 ARG A 127 -16.504 12.508 22.576 1.00 0.00 H ATOM 1205 HH11 ARG A 127 -14.775 12.482 22.070 1.00 0.00 H ATOM 1206 HH22 ARG A 127 -18.116 13.273 21.153 1.00 0.00 H ATOM 1207 HH21 ARG A 127 -17.682 13.861 19.507 1.00 0.00 H ATOM 1208 H ARG A 127 -11.995 10.982 16.426 1.00 0.00 H ATOM 1209 N VAL A 128 -9.087 11.182 17.259 1.00 46.15 N ATOM 1210 CA VAL A 128 -7.702 10.762 17.531 1.00 45.72 C ATOM 1211 C VAL A 128 -6.853 10.847 16.264 1.00 42.66 C ATOM 1212 O VAL A 128 -5.867 11.588 16.223 1.00 42.29 O ATOM 1213 CB VAL A 128 -7.644 9.334 18.133 1.00 48.02 C ATOM 1214 CG1 VAL A 128 -6.206 8.915 18.461 1.00 49.76 C ATOM 1215 CG2 VAL A 128 -8.486 9.261 19.402 1.00 48.90 C ATOM 1216 H VAL A 128 -9.793 10.456 17.021 1.00 0.00 H ATOM 1217 N GLY A 129 -7.242 10.071 15.255 1.00 38.57 N ATOM 1218 CA GLY A 129 -6.442 9.869 14.040 1.00 36.47 C ATOM 1219 C GLY A 129 -6.516 8.417 13.598 1.00 34.04 C ATOM 1220 O GLY A 129 -7.503 7.745 13.917 1.00 35.07 O ATOM 1221 H GLY A 129 -8.158 9.584 15.331 1.00 0.00 H ATOM 1222 N PRO A 130 -5.495 7.925 12.851 1.00 30.25 N ATOM 1223 CA PRO A 130 -5.428 6.503 12.475 1.00 27.74 C ATOM 1224 C PRO A 130 -5.508 5.515 13.670 1.00 26.33 C ATOM 1225 O PRO A 130 -4.604 5.506 14.509 1.00 26.79 O ATOM 1226 CB PRO A 130 -4.081 6.408 11.745 1.00 27.28 C ATOM 1227 CG PRO A 130 -3.935 7.741 11.107 1.00 29.09 C ATOM 1228 CD PRO A 130 -4.479 8.710 12.119 1.00 30.04 C ATOM 1229 N VAL A 131 -6.602 4.736 13.737 1.00 24.01 N ATOM 1230 CA VAL A 131 -6.877 3.764 14.814 1.00 23.28 C ATOM 1231 C VAL A 131 -6.542 2.337 14.310 1.00 22.71 C ATOM 1232 O VAL A 131 -6.921 1.959 13.196 1.00 21.43 O ATOM 1233 CB VAL A 131 -8.362 3.858 15.283 1.00 23.60 C ATOM 1234 CG1 VAL A 131 -8.762 2.755 16.266 1.00 23.69 C ATOM 1235 CG2 VAL A 131 -8.632 5.214 15.937 1.00 25.37 C ATOM 1236 H VAL A 131 -7.305 4.824 12.976 1.00 0.00 H ATOM 1237 N SER A 132 -5.860 1.557 15.147 1.00 22.90 N ATOM 1238 CA SER A 132 -5.566 0.153 14.854 1.00 23.24 C ATOM 1239 C SER A 132 -6.847 -0.655 15.027 1.00 24.83 C ATOM 1240 O SER A 132 -7.512 -0.541 16.057 1.00 26.70 O ATOM 1241 CB SER A 132 -4.456 -0.396 15.746 1.00 22.57 C ATOM 1242 OG SER A 132 -3.193 0.068 15.300 1.00 22.43 O ATOM 1243 HG SER A 132 -3.041 -0.235 14.370 1.00 0.00 H ATOM 1244 H SER A 132 -5.523 1.961 16.044 1.00 0.00 H ATOM 1245 N VAL A 133 -7.210 -1.397 13.984 1.00 24.78 N ATOM 1246 CA VAL A 133 -8.333 -2.341 14.007 1.00 25.99 C ATOM 1247 C VAL A 133 -7.838 -3.704 13.523 1.00 25.27 C ATOM 1248 O VAL A 133 -6.937 -3.779 12.665 1.00 23.47 O ATOM 1249 CB VAL A 133 -9.540 -1.867 13.148 1.00 26.85 C ATOM 1250 CG1 VAL A 133 -10.005 -0.480 13.597 1.00 28.13 C ATOM 1251 CG2 VAL A 133 -9.239 -1.876 11.645 1.00 26.80 C ATOM 1252 H VAL A 133 -6.667 -1.302 13.102 1.00 0.00 H ATOM 1253 N ALA A 134 -8.425 -4.764 14.082 1.00 26.49 N ATOM 1254 CA ALA A 134 -8.308 -6.115 13.529 1.00 27.80 C ATOM 1255 C ALA A 134 -9.606 -6.506 12.833 1.00 29.40 C ATOM 1256 O ALA A 134 -10.681 -5.976 13.152 1.00 30.62 O ATOM 1257 CB ALA A 134 -7.966 -7.112 14.617 1.00 28.94 C ATOM 1258 H ALA A 134 -8.988 -4.625 14.945 1.00 0.00 H ATOM 1259 N ILE A 135 -9.486 -7.432 11.881 1.00 30.32 N ATOM 1260 CA ILE A 135 -10.604 -7.893 11.044 1.00 31.94 C ATOM 1261 C ILE A 135 -10.445 -9.355 10.603 1.00 32.02 C ATOM 1262 O ILE A 135 -9.387 -9.970 10.800 1.00 32.11 O ATOM 1263 CB ILE A 135 -10.769 -7.021 9.762 1.00 31.44 C ATOM 1264 CG1 ILE A 135 -9.422 -6.848 9.027 1.00 30.36 C ATOM 1265 CG2 ILE A 135 -11.405 -5.674 10.086 1.00 30.65 C ATOM 1266 CD1 ILE A 135 -9.570 -6.744 7.527 1.00 30.78 C ATOM 1267 H ILE A 135 -8.548 -7.852 11.721 1.00 0.00 H ATOM 1268 N ASP A 136 -11.520 -9.879 10.016 1.00 33.25 N ATOM 1269 CA ASP A 136 -11.505 -11.119 9.230 1.00 34.24 C ATOM 1270 C ASP A 136 -11.148 -10.695 7.807 1.00 32.78 C ATOM 1271 O ASP A 136 -11.934 -10.004 7.160 1.00 32.02 O ATOM 1272 CB ASP A 136 -12.884 -11.790 9.283 1.00 35.63 C ATOM 1273 CG ASP A 136 -12.938 -13.161 8.596 1.00 37.81 C ATOM 1274 OD1 ASP A 136 -11.934 -13.655 8.036 1.00 37.43 O ATOM 1275 OD2 ASP A 136 -14.032 -13.761 8.620 1.00 39.72 O ATOM 1276 H ASP A 136 -12.426 -9.379 10.121 1.00 0.00 H ATOM 1277 N ALA A 137 -9.944 -11.076 7.369 1.00 32.56 N ATOM 1278 CA ALA A 137 -9.456 -10.878 5.996 1.00 33.13 C ATOM 1279 C ALA A 137 -9.136 -12.218 5.281 1.00 35.82 C ATOM 1280 O ALA A 137 -8.347 -12.241 4.327 1.00 35.84 O ATOM 1281 CB ALA A 137 -8.230 -9.984 6.031 1.00 31.11 C ATOM 1282 H ALA A 137 -9.309 -11.545 8.046 1.00 0.00 H ATOM 1283 N SER A 138 -9.768 -13.313 5.723 1.00 37.43 N ATOM 1284 CA SER A 138 -9.507 -14.658 5.190 1.00 39.80 C ATOM 1285 C SER A 138 -10.244 -14.953 3.877 1.00 42.22 C ATOM 1286 O SER A 138 -9.839 -15.862 3.143 1.00 43.73 O ATOM 1287 CB SER A 138 -9.851 -15.739 6.238 1.00 41.49 C ATOM 1288 OG SER A 138 -11.239 -15.780 6.538 1.00 41.83 O ATOM 1289 HG SER A 138 -11.524 -14.903 6.898 1.00 0.00 H ATOM 1290 H SER A 138 -10.476 -13.207 6.478 1.00 0.00 H ATOM 1291 N LEU A 139 -11.314 -14.201 3.590 1.00 42.29 N ATOM 1292 CA LEU A 139 -12.155 -14.433 2.413 1.00 44.03 C ATOM 1293 C LEU A 139 -11.446 -14.058 1.112 1.00 44.44 C ATOM 1294 O LEU A 139 -10.681 -13.100 1.073 1.00 43.92 O ATOM 1295 CB LEU A 139 -13.470 -13.648 2.505 1.00 43.24 C ATOM 1296 CG LEU A 139 -14.393 -13.909 3.700 1.00 44.16 C ATOM 1297 CD1 LEU A 139 -15.589 -12.978 3.605 1.00 44.12 C ATOM 1298 CD2 LEU A 139 -14.852 -15.360 3.792 1.00 46.88 C ATOM 1299 H LEU A 139 -11.559 -13.419 4.230 1.00 0.00 H ATOM 1300 N THR A 140 -11.714 -14.844 0.069 1.00 47.06 N ATOM 1301 CA THR A 140 -11.325 -14.562 -1.325 1.00 48.01 C ATOM 1302 C THR A 140 -11.802 -13.194 -1.814 1.00 45.92 C ATOM 1303 O THR A 140 -11.061 -12.478 -2.490 1.00 45.03 O ATOM 1304 CB THR A 140 -11.912 -15.658 -2.248 1.00 51.21 C ATOM 1305 OG1 THR A 140 -11.353 -16.922 -1.875 1.00 54.02 O ATOM 1306 CG2 THR A 140 -11.625 -15.414 -3.718 1.00 52.87 C ATOM 1307 HG1 THR A 140 -11.722 -17.630 -2.460 1.00 0.00 H ATOM 1308 H THR A 140 -12.238 -15.724 0.253 1.00 0.00 H ATOM 1309 N SER A 141 -13.052 -12.869 -1.491 1.00 45.66 N ATOM 1310 CA SER A 141 -13.649 -11.568 -1.805 1.00 44.83 C ATOM 1311 C SER A 141 -12.868 -10.395 -1.201 1.00 41.83 C ATOM 1312 O SER A 141 -12.771 -9.338 -1.831 1.00 41.48 O ATOM 1313 CB SER A 141 -15.111 -11.538 -1.350 1.00 46.22 C ATOM 1314 OG SER A 141 -15.212 -11.788 0.039 1.00 46.59 O ATOM 1315 HG SER A 141 -16.164 -11.764 0.309 1.00 0.00 H ATOM 1316 H SER A 141 -13.633 -13.572 -0.992 1.00 0.00 H ATOM 1317 N PHE A 142 -12.320 -10.586 0.006 1.00 39.71 N ATOM 1318 CA PHE A 142 -11.371 -9.634 0.601 1.00 36.92 C ATOM 1319 C PHE A 142 -10.053 -9.577 -0.182 1.00 37.36 C ATOM 1320 O PHE A 142 -9.608 -8.485 -0.514 1.00 36.82 O ATOM 1321 CB PHE A 142 -11.092 -9.950 2.086 1.00 34.82 C ATOM 1322 CG PHE A 142 -10.419 -8.825 2.828 1.00 31.64 C ATOM 1323 CD1 PHE A 142 -9.023 -8.674 2.796 1.00 30.35 C ATOM 1324 CD2 PHE A 142 -11.173 -7.898 3.555 1.00 30.56 C ATOM 1325 CE1 PHE A 142 -8.402 -7.623 3.468 1.00 28.26 C ATOM 1326 CE2 PHE A 142 -10.555 -6.851 4.233 1.00 28.12 C ATOM 1327 CZ PHE A 142 -9.172 -6.709 4.188 1.00 27.22 C ATOM 1328 H PHE A 142 -12.575 -11.440 0.542 1.00 0.00 H ATOM 1329 N GLN A 143 -9.451 -10.740 -0.468 1.00 40.11 N ATOM 1330 CA GLN A 143 -8.139 -10.838 -1.166 1.00 42.33 C ATOM 1331 C GLN A 143 -8.085 -10.025 -2.461 1.00 43.02 C ATOM 1332 O GLN A 143 -7.173 -9.217 -2.660 1.00 42.24 O ATOM 1333 CB GLN A 143 -7.773 -12.298 -1.531 1.00 46.54 C ATOM 1334 CG GLN A 143 -7.540 -13.273 -0.384 1.00 49.07 C ATOM 1335 CD GLN A 143 -6.404 -12.872 0.546 1.00 48.01 C ATOM 1336 OE1 GLN A 143 -5.352 -12.411 0.091 1.00 48.55 O ATOM 1337 NE2 GLN A 143 -6.599 -13.064 1.856 1.00 47.97 N ATOM 1338 HE22 GLN A 143 -7.501 -13.455 2.196 1.00 0.00 H ATOM 1339 HE21 GLN A 143 -5.849 -12.822 2.534 1.00 0.00 H ATOM 1340 H GLN A 143 -9.926 -11.622 -0.187 1.00 0.00 H ATOM 1341 N PHE A 144 -9.090 -10.234 -3.310 1.00 44.55 N ATOM 1342 CA PHE A 144 -9.167 -9.611 -4.642 1.00 46.80 C ATOM 1343 C PHE A 144 -10.159 -8.444 -4.691 1.00 45.87 C ATOM 1344 O PHE A 144 -10.951 -8.326 -5.633 1.00 49.34 O ATOM 1345 CB PHE A 144 -9.497 -10.690 -5.682 1.00 50.13 C ATOM 1346 CG PHE A 144 -8.647 -11.918 -5.545 1.00 51.39 C ATOM 1347 CD1 PHE A 144 -7.250 -11.816 -5.612 1.00 51.72 C ATOM 1348 CD2 PHE A 144 -9.217 -13.168 -5.293 1.00 52.93 C ATOM 1349 CE1 PHE A 144 -6.445 -12.940 -5.457 1.00 52.22 C ATOM 1350 CE2 PHE A 144 -8.411 -14.289 -5.150 1.00 54.35 C ATOM 1351 CZ PHE A 144 -7.030 -14.172 -5.224 1.00 54.17 C ATOM 1352 H PHE A 144 -9.859 -10.870 -3.017 1.00 0.00 H ATOM 1353 N TYR A 145 -10.107 -7.585 -3.669 1.00 42.80 N ATOM 1354 CA TYR A 145 -10.780 -6.286 -3.697 1.00 41.93 C ATOM 1355 C TYR A 145 -10.021 -5.389 -4.682 1.00 42.88 C ATOM 1356 O TYR A 145 -8.789 -5.438 -4.736 1.00 42.81 O ATOM 1357 CB TYR A 145 -10.816 -5.657 -2.294 1.00 40.12 C ATOM 1358 CG TYR A 145 -11.250 -4.209 -2.251 1.00 39.23 C ATOM 1359 CD1 TYR A 145 -10.302 -3.177 -2.341 1.00 37.98 C ATOM 1360 CD2 TYR A 145 -12.597 -3.861 -2.107 1.00 39.30 C ATOM 1361 CE1 TYR A 145 -10.682 -1.847 -2.315 1.00 38.48 C ATOM 1362 CE2 TYR A 145 -12.990 -2.525 -2.067 1.00 39.70 C ATOM 1363 CZ TYR A 145 -12.026 -1.523 -2.173 1.00 39.08 C ATOM 1364 OH TYR A 145 -12.371 -0.204 -2.128 1.00 41.01 O ATOM 1365 HH TYR A 145 -12.995 -0.002 -2.870 1.00 0.00 H ATOM 1366 H TYR A 145 -9.567 -7.850 -2.820 1.00 0.00 H ATOM 1367 N SER A 146 -10.776 -4.605 -5.459 1.00 44.18 N ATOM 1368 CA SER A 146 -10.239 -3.581 -6.386 1.00 44.68 C ATOM 1369 C SER A 146 -10.932 -2.202 -6.290 1.00 45.71 C ATOM 1370 O SER A 146 -10.251 -1.175 -6.363 1.00 46.38 O ATOM 1371 CB SER A 146 -10.276 -4.099 -7.829 1.00 46.64 C ATOM 1372 OG SER A 146 -11.523 -4.696 -8.138 1.00 47.55 O ATOM 1373 HG SER A 146 -11.511 -5.018 -9.074 1.00 0.00 H ATOM 1374 H SER A 146 -11.808 -4.722 -5.409 1.00 0.00 H ATOM 1375 N LYS A 147 -12.263 -2.178 -6.165 1.00 46.05 N ATOM 1376 CA LYS A 147 -13.024 -0.935 -6.003 1.00 46.30 C ATOM 1377 C LYS A 147 -14.332 -1.123 -5.229 1.00 45.87 C ATOM 1378 O LYS A 147 -14.799 -2.249 -5.034 1.00 46.09 O ATOM 1379 CB LYS A 147 -13.327 -0.334 -7.380 1.00 48.68 C ATOM 1380 CG LYS A 147 -14.012 -1.288 -8.356 1.00 49.02 C ATOM 1381 CD LYS A 147 -14.238 -0.626 -9.705 1.00 51.81 C ATOM 1382 CE LYS A 147 -14.859 -1.595 -10.698 1.00 54.23 C ATOM 1383 NZ LYS A 147 -16.159 -2.135 -10.214 1.00 54.33 N ATOM 1384 HZ1 LYS A 147 -16.011 -2.640 -9.317 1.00 0.00 H ATOM 1385 HZ2 LYS A 147 -16.825 -1.350 -10.066 1.00 0.00 H ATOM 1386 HZ3 LYS A 147 -16.546 -2.791 -10.922 1.00 0.00 H ATOM 1387 H LYS A 147 -12.781 -3.080 -6.183 1.00 0.00 H ATOM 1388 N GLY A 148 -14.896 0.005 -4.796 1.00 45.85 N ATOM 1389 CA GLY A 148 -16.184 0.063 -4.105 1.00 47.17 C ATOM 1390 C GLY A 148 -16.083 -0.026 -2.594 1.00 45.77 C ATOM 1391 O GLY A 148 -14.998 0.072 -2.029 1.00 43.10 O ATOM 1392 H GLY A 148 -14.389 0.898 -4.960 1.00 0.00 H ATOM 1393 N VAL A 149 -17.241 -0.185 -1.953 1.00 47.65 N ATOM 1394 CA VAL A 149 -17.347 -0.454 -0.516 1.00 47.80 C ATOM 1395 C VAL A 149 -17.462 -1.973 -0.368 1.00 48.84 C ATOM 1396 O VAL A 149 -18.389 -2.585 -0.913 1.00 51.52 O ATOM 1397 CB VAL A 149 -18.559 0.273 0.113 1.00 48.63 C ATOM 1398 CG1 VAL A 149 -18.781 -0.124 1.577 1.00 46.67 C ATOM 1399 CG2 VAL A 149 -18.357 1.778 0.004 1.00 49.19 C ATOM 1400 H VAL A 149 -18.120 -0.114 -2.504 1.00 0.00 H ATOM 1401 N TYR A 150 -16.527 -2.562 0.379 1.00 47.69 N ATOM 1402 CA TYR A 150 -16.447 -4.014 0.546 1.00 46.63 C ATOM 1403 C TYR A 150 -17.434 -4.517 1.615 1.00 46.38 C ATOM 1404 O TYR A 150 -17.571 -3.912 2.681 1.00 46.05 O ATOM 1405 CB TYR A 150 -15.015 -4.444 0.896 1.00 44.20 C ATOM 1406 CG TYR A 150 -14.891 -5.929 1.138 1.00 43.01 C ATOM 1407 CD1 TYR A 150 -15.012 -6.840 0.081 1.00 44.20 C ATOM 1408 CD2 TYR A 150 -14.707 -6.436 2.432 1.00 41.54 C ATOM 1409 CE1 TYR A 150 -14.928 -8.208 0.304 1.00 44.29 C ATOM 1410 CE2 TYR A 150 -14.625 -7.805 2.664 1.00 42.16 C ATOM 1411 CZ TYR A 150 -14.725 -8.691 1.602 1.00 43.16 C ATOM 1412 OH TYR A 150 -14.632 -10.033 1.858 1.00 43.24 O ATOM 1413 HH TYR A 150 -14.721 -10.536 1.010 1.00 0.00 H ATOM 1414 H TYR A 150 -15.826 -1.965 0.863 1.00 0.00 H ATOM 1415 N TYR A 151 -18.107 -5.624 1.299 1.00 46.43 N ATOM 1416 CA TYR A 151 -18.925 -6.378 2.249 1.00 45.88 C ATOM 1417 C TYR A 151 -19.086 -7.829 1.762 1.00 47.69 C ATOM 1418 O TYR A 151 -19.072 -8.090 0.557 1.00 48.47 O ATOM 1419 CB TYR A 151 -20.290 -5.701 2.436 1.00 47.17 C ATOM 1420 CG TYR A 151 -21.262 -6.470 3.312 1.00 48.52 C ATOM 1421 CD1 TYR A 151 -21.115 -6.497 4.710 1.00 47.92 C ATOM 1422 CD2 TYR A 151 -22.322 -7.197 2.745 1.00 50.65 C ATOM 1423 CE1 TYR A 151 -22.006 -7.213 5.518 1.00 49.04 C ATOM 1424 CE2 TYR A 151 -23.216 -7.916 3.540 1.00 52.31 C ATOM 1425 CZ TYR A 151 -23.058 -7.923 4.924 1.00 51.61 C ATOM 1426 OH TYR A 151 -23.945 -8.633 5.703 1.00 52.93 O ATOM 1427 HH TYR A 151 -23.696 -8.536 6.656 1.00 0.00 H ATOM 1428 H TYR A 151 -18.047 -5.971 0.321 1.00 0.00 H ATOM 1429 N ASP A 152 -19.212 -8.757 2.711 1.00 48.00 N ATOM 1430 CA ASP A 152 -19.494 -10.169 2.424 1.00 48.85 C ATOM 1431 C ASP A 152 -20.212 -10.776 3.630 1.00 50.77 C ATOM 1432 O ASP A 152 -19.718 -10.662 4.752 1.00 48.65 O ATOM 1433 CB ASP A 152 -18.180 -10.916 2.129 1.00 47.53 C ATOM 1434 CG ASP A 152 -18.390 -12.219 1.350 1.00 49.07 C ATOM 1435 OD1 ASP A 152 -19.172 -13.086 1.794 1.00 50.23 O ATOM 1436 OD2 ASP A 152 -17.747 -12.386 0.294 1.00 47.62 O ATOM 1437 H ASP A 152 -19.105 -8.466 3.704 1.00 0.00 H ATOM 1438 N GLU A 153 -21.360 -11.420 3.401 1.00 55.05 N ATOM 1439 CA GLU A 153 -22.124 -12.100 4.475 1.00 59.27 C ATOM 1440 C GLU A 153 -21.400 -13.298 5.114 1.00 60.22 C ATOM 1441 O GLU A 153 -21.755 -13.707 6.220 1.00 60.17 O ATOM 1442 CB GLU A 153 -23.504 -12.545 3.971 1.00 65.02 C ATOM 1443 CG GLU A 153 -24.437 -11.384 3.651 1.00 66.51 C ATOM 1444 CD GLU A 153 -25.737 -11.810 2.988 1.00 69.79 C ATOM 1445 OE1 GLU A 153 -26.282 -12.883 3.336 1.00 72.35 O ATOM 1446 OE2 GLU A 153 -26.221 -11.052 2.119 1.00 71.65 O ATOM 1447 H GLU A 153 -21.733 -11.445 2.430 1.00 0.00 H ATOM 1448 N SER A 154 -20.406 -13.856 4.414 1.00 60.41 N ATOM 1449 CA SER A 154 -19.451 -14.813 4.999 1.00 60.91 C ATOM 1450 C SER A 154 -18.545 -14.251 6.097 1.00 59.09 C ATOM 1451 O SER A 154 -18.024 -15.039 6.890 1.00 61.17 O ATOM 1452 CB SER A 154 -18.523 -15.400 3.923 1.00 60.13 C ATOM 1453 OG SER A 154 -19.204 -15.643 2.722 1.00 62.28 O ATOM 1454 HG SER A 154 -19.579 -14.793 2.379 1.00 0.00 H ATOM 1455 H SER A 154 -20.303 -13.603 3.411 1.00 0.00 H ATOM 1456 N CYS A 155 -18.337 -12.926 6.131 1.00 58.50 N ATOM 1457 CA CYS A 155 -17.252 -12.313 6.919 1.00 55.77 C ATOM 1458 C CYS A 155 -17.535 -12.433 8.421 1.00 54.95 C ATOM 1459 O CYS A 155 -18.340 -11.684 8.987 1.00 57.20 O ATOM 1460 CB CYS A 155 -16.972 -10.852 6.496 1.00 53.84 C ATOM 1461 SG CYS A 155 -15.222 -10.407 6.553 1.00 52.65 S ATOM 1462 H CYS A 155 -18.966 -12.307 5.580 1.00 0.00 H ATOM 1463 N ASN A 156 -16.875 -13.421 9.027 1.00 53.67 N ATOM 1464 CA ASN A 156 -17.059 -13.789 10.428 1.00 54.00 C ATOM 1465 C ASN A 156 -16.382 -12.743 11.328 1.00 49.05 C ATOM 1466 O ASN A 156 -15.156 -12.700 11.420 1.00 45.55 O ATOM 1467 CB ASN A 156 -16.477 -15.200 10.662 1.00 56.53 C ATOM 1468 CG ASN A 156 -16.810 -15.785 12.033 1.00 60.13 C ATOM 1469 OD1 ASN A 156 -17.392 -15.130 12.905 1.00 59.60 O ATOM 1470 ND2 ASN A 156 -16.429 -17.047 12.226 1.00 61.78 N ATOM 1471 HD22 ASN A 156 -15.941 -17.565 11.467 1.00 0.00 H ATOM 1472 HD21 ASN A 156 -16.619 -17.514 13.135 1.00 0.00 H ATOM 1473 H ASN A 156 -16.186 -13.963 8.467 1.00 0.00 H ATOM 1474 N SER A 157 -17.202 -11.926 11.992 1.00 48.07 N ATOM 1475 CA SER A 157 -16.738 -10.919 12.971 1.00 46.22 C ATOM 1476 C SER A 157 -15.941 -11.497 14.155 1.00 47.12 C ATOM 1477 O SER A 157 -15.039 -10.833 14.680 1.00 47.21 O ATOM 1478 CB SER A 157 -17.931 -10.120 13.520 1.00 47.18 C ATOM 1479 OG SER A 157 -18.840 -9.745 12.495 1.00 47.24 O ATOM 1480 HG SER A 157 -18.371 -9.182 11.829 1.00 0.00 H ATOM 1481 H SER A 157 -18.223 -12.001 11.811 1.00 0.00 H ATOM 1482 N ASP A 158 -16.281 -12.726 14.552 1.00 48.58 N ATOM 1483 CA ASP A 158 -15.612 -13.443 15.651 1.00 49.05 C ATOM 1484 C ASP A 158 -14.289 -14.142 15.266 1.00 47.24 C ATOM 1485 O ASP A 158 -13.549 -14.547 16.168 1.00 48.59 O ATOM 1486 CB ASP A 158 -16.576 -14.468 16.284 1.00 52.53 C ATOM 1487 CG ASP A 158 -17.909 -13.843 16.743 1.00 53.98 C ATOM 1488 OD1 ASP A 158 -17.944 -12.631 17.053 1.00 52.08 O ATOM 1489 OD2 ASP A 158 -18.926 -14.573 16.782 1.00 56.43 O ATOM 1490 H ASP A 158 -17.062 -13.203 14.058 1.00 0.00 H ATOM 1491 N ASN A 159 -14.017 -14.316 13.962 1.00 43.84 N ATOM 1492 CA ASN A 159 -12.721 -14.810 13.459 1.00 41.99 C ATOM 1493 C ASN A 159 -11.843 -13.613 13.051 1.00 40.31 C ATOM 1494 O ASN A 159 -11.671 -13.312 11.861 1.00 41.14 O ATOM 1495 CB ASN A 159 -12.939 -15.797 12.293 1.00 42.23 C ATOM 1496 CG ASN A 159 -11.642 -16.436 11.782 1.00 40.93 C ATOM 1497 OD1 ASN A 159 -10.656 -16.550 12.504 1.00 39.50 O ATOM 1498 ND2 ASN A 159 -11.652 -16.869 10.523 1.00 41.28 N ATOM 1499 HD22 ASN A 159 -12.506 -16.755 9.941 1.00 0.00 H ATOM 1500 HD21 ASN A 159 -10.806 -17.321 10.122 1.00 0.00 H ATOM 1501 H ASN A 159 -14.760 -14.090 13.270 1.00 0.00 H ATOM 1502 N LEU A 160 -11.295 -12.934 14.056 1.00 37.98 N ATOM 1503 CA LEU A 160 -10.396 -11.799 13.840 1.00 35.21 C ATOM 1504 C LEU A 160 -8.994 -12.339 13.611 1.00 34.44 C ATOM 1505 O LEU A 160 -8.378 -12.861 14.543 1.00 36.77 O ATOM 1506 CB LEU A 160 -10.411 -10.864 15.041 1.00 34.96 C ATOM 1507 CG LEU A 160 -11.773 -10.274 15.400 1.00 36.07 C ATOM 1508 CD1 LEU A 160 -11.689 -9.626 16.766 1.00 36.34 C ATOM 1509 CD2 LEU A 160 -12.245 -9.265 14.363 1.00 34.71 C ATOM 1510 H LEU A 160 -11.514 -13.221 15.032 1.00 0.00 H ATOM 1511 N ASN A 161 -8.504 -12.220 12.374 1.00 32.56 N ATOM 1512 CA ASN A 161 -7.228 -12.836 11.939 1.00 31.56 C ATOM 1513 C ASN A 161 -6.208 -11.919 11.244 1.00 29.83 C ATOM 1514 O ASN A 161 -5.163 -12.409 10.824 1.00 29.49 O ATOM 1515 CB ASN A 161 -7.506 -14.086 11.076 1.00 33.61 C ATOM 1516 CG ASN A 161 -8.456 -13.820 9.908 1.00 33.88 C ATOM 1517 OD1 ASN A 161 -8.326 -12.825 9.181 1.00 32.23 O ATOM 1518 ND2 ASN A 161 -9.415 -14.720 9.718 1.00 35.50 N ATOM 1519 HD22 ASN A 161 -9.490 -15.542 10.351 1.00 0.00 H ATOM 1520 HD21 ASN A 161 -10.091 -14.603 8.936 1.00 0.00 H ATOM 1521 H ASN A 161 -9.046 -11.666 11.680 1.00 0.00 H ATOM 1522 N HIS A 162 -6.486 -10.616 11.143 1.00 27.52 N ATOM 1523 CA HIS A 162 -5.623 -9.688 10.410 1.00 25.46 C ATOM 1524 C HIS A 162 -5.778 -8.271 10.939 1.00 24.92 C ATOM 1525 O HIS A 162 -6.897 -7.787 11.040 1.00 25.31 O ATOM 1526 CB HIS A 162 -5.977 -9.704 8.925 1.00 24.44 C ATOM 1527 CG HIS A 162 -5.150 -8.776 8.092 1.00 22.38 C ATOM 1528 ND1 HIS A 162 -3.809 -8.564 8.323 1.00 21.65 N ATOM 1529 CD2 HIS A 162 -5.472 -8.009 7.025 1.00 21.55 C ATOM 1530 CE1 HIS A 162 -3.342 -7.701 7.438 1.00 20.59 C ATOM 1531 NE2 HIS A 162 -4.328 -7.359 6.634 1.00 20.58 N ATOM 1532 H HIS A 162 -7.345 -10.249 11.601 1.00 0.00 H ATOM 1533 N ALA A 163 -4.650 -7.623 11.230 1.00 25.03 N ATOM 1534 CA ALA A 163 -4.605 -6.259 11.732 1.00 25.81 C ATOM 1535 C ALA A 163 -4.331 -5.298 10.585 1.00 25.40 C ATOM 1536 O ALA A 163 -3.419 -5.535 9.780 1.00 25.82 O ATOM 1537 CB ALA A 163 -3.536 -6.122 12.792 1.00 26.03 C ATOM 1538 H ALA A 163 -3.749 -8.123 11.090 1.00 0.00 H ATOM 1539 N VAL A 164 -5.131 -4.227 10.533 1.00 24.28 N ATOM 1540 CA VAL A 164 -5.050 -3.152 9.528 1.00 23.77 C ATOM 1541 C VAL A 164 -5.144 -1.796 10.269 1.00 24.68 C ATOM 1542 O VAL A 164 -5.027 -1.770 11.494 1.00 24.46 O ATOM 1543 CB VAL A 164 -6.123 -3.343 8.419 1.00 23.34 C ATOM 1544 CG1 VAL A 164 -5.891 -4.663 7.675 1.00 24.27 C ATOM 1545 CG2 VAL A 164 -7.541 -3.294 8.973 1.00 23.17 C ATOM 1546 H VAL A 164 -5.870 -4.146 11.261 1.00 0.00 H ATOM 1547 N LEU A 165 -5.313 -0.683 9.549 1.00 27.03 N ATOM 1548 CA LEU A 165 -5.392 0.660 10.153 1.00 28.28 C ATOM 1549 C LEU A 165 -6.575 1.430 9.579 1.00 31.43 C ATOM 1550 O LEU A 165 -6.616 1.662 8.373 1.00 31.70 O ATOM 1551 CB LEU A 165 -4.091 1.410 9.868 1.00 28.21 C ATOM 1552 CG LEU A 165 -3.853 2.825 10.410 1.00 28.10 C ATOM 1553 CD1 LEU A 165 -3.679 2.795 11.920 1.00 28.32 C ATOM 1554 CD2 LEU A 165 -2.625 3.424 9.735 1.00 27.67 C ATOM 1555 H LEU A 165 -5.392 -0.768 8.516 1.00 0.00 H ATOM 1556 N ALA A 166 -7.527 1.817 10.436 1.00 32.19 N ATOM 1557 CA ALA A 166 -8.599 2.744 10.042 1.00 32.66 C ATOM 1558 C ALA A 166 -8.062 4.182 10.031 1.00 32.65 C ATOM 1559 O ALA A 166 -7.971 4.816 11.088 1.00 32.39 O ATOM 1560 CB ALA A 166 -9.806 2.618 10.968 1.00 32.63 C ATOM 1561 H ALA A 166 -7.508 1.452 11.409 1.00 0.00 H ATOM 1562 N VAL A 167 -7.712 4.677 8.835 1.00 32.40 N ATOM 1563 CA VAL A 167 -7.241 6.079 8.628 1.00 33.88 C ATOM 1564 C VAL A 167 -8.342 7.118 8.307 1.00 34.94 C ATOM 1565 O VAL A 167 -8.021 8.260 7.962 1.00 37.65 O ATOM 1566 CB VAL A 167 -6.108 6.167 7.553 1.00 33.74 C ATOM 1567 CG1 VAL A 167 -4.967 5.218 7.883 1.00 32.80 C ATOM 1568 CG2 VAL A 167 -6.609 5.932 6.126 1.00 34.08 C ATOM 1569 H VAL A 167 -7.772 4.051 8.007 1.00 0.00 H ATOM 1570 N GLY A 168 -9.617 6.733 8.412 1.00 36.19 N ATOM 1571 CA GLY A 168 -10.744 7.608 8.058 1.00 36.19 C ATOM 1572 C GLY A 168 -12.047 6.854 7.827 1.00 35.75 C ATOM 1573 O GLY A 168 -12.108 5.620 7.977 1.00 31.44 O ATOM 1574 H GLY A 168 -9.821 5.774 8.759 1.00 0.00 H ATOM 1575 N TYR A 169 -13.082 7.610 7.459 1.00 37.78 N ATOM 1576 CA TYR A 169 -14.396 7.073 7.062 1.00 38.85 C ATOM 1577 C TYR A 169 -15.117 8.013 6.080 1.00 40.51 C ATOM 1578 O TYR A 169 -14.696 9.153 5.879 1.00 41.36 O ATOM 1579 CB TYR A 169 -15.263 6.791 8.302 1.00 39.09 C ATOM 1580 CG TYR A 169 -15.591 7.992 9.152 1.00 40.36 C ATOM 1581 CD1 TYR A 169 -14.765 8.371 10.213 1.00 40.31 C ATOM 1582 CD2 TYR A 169 -16.749 8.746 8.910 1.00 42.98 C ATOM 1583 CE1 TYR A 169 -15.075 9.478 11.006 1.00 42.67 C ATOM 1584 CE2 TYR A 169 -17.066 9.855 9.687 1.00 44.82 C ATOM 1585 CZ TYR A 169 -16.230 10.222 10.735 1.00 44.54 C ATOM 1586 OH TYR A 169 -16.538 11.314 11.507 1.00 46.63 O ATOM 1587 HH TYR A 169 -16.575 12.121 10.935 1.00 0.00 H ATOM 1588 H TYR A 169 -12.954 8.642 7.452 1.00 0.00 H ATOM 1589 N GLY A 170 -16.200 7.532 5.474 1.00 41.87 N ATOM 1590 CA GLY A 170 -16.980 8.355 4.540 1.00 44.85 C ATOM 1591 C GLY A 170 -18.161 7.645 3.917 1.00 46.86 C ATOM 1592 O GLY A 170 -18.660 6.672 4.486 1.00 45.91 O ATOM 1593 H GLY A 170 -16.500 6.555 5.665 1.00 0.00 H ATOM 1594 N ILE A 171 -18.612 8.153 2.763 1.00 51.63 N ATOM 1595 CA ILE A 171 -19.666 7.518 1.937 1.00 53.51 C ATOM 1596 C ILE A 171 -19.256 7.492 0.446 1.00 52.49 C ATOM 1597 O ILE A 171 -18.580 8.408 -0.035 1.00 52.72 O ATOM 1598 CB ILE A 171 -21.070 8.183 2.175 1.00 56.99 C ATOM 1599 CG1 ILE A 171 -22.211 7.169 1.957 1.00 58.06 C ATOM 1600 CG2 ILE A 171 -21.278 9.451 1.338 1.00 59.50 C ATOM 1601 CD1 ILE A 171 -23.584 7.656 2.376 1.00 60.52 C ATOM 1602 H ILE A 171 -18.198 9.046 2.427 1.00 0.00 H ATOM 1603 N GLN A 172 -19.666 6.431 -0.254 1.00 52.21 N ATOM 1604 CA GLN A 172 -19.374 6.226 -1.683 1.00 52.79 C ATOM 1605 C GLN A 172 -20.520 5.422 -2.334 1.00 55.18 C ATOM 1606 O GLN A 172 -20.672 4.223 -2.068 1.00 54.47 O ATOM 1607 CB GLN A 172 -18.031 5.499 -1.859 1.00 50.20 C ATOM 1608 CG GLN A 172 -17.441 5.568 -3.269 1.00 50.57 C ATOM 1609 CD GLN A 172 -16.939 4.220 -3.789 1.00 48.85 C ATOM 1610 OE1 GLN A 172 -17.728 3.288 -3.954 1.00 48.99 O ATOM 1611 NE2 GLN A 172 -15.638 4.115 -4.064 1.00 47.59 N ATOM 1612 HE22 GLN A 172 -15.007 4.927 -3.910 1.00 0.00 H ATOM 1613 HE21 GLN A 172 -15.255 3.221 -4.433 1.00 0.00 H ATOM 1614 H GLN A 172 -20.225 5.706 0.240 1.00 0.00 H ATOM 1615 N LYS A 173 -21.318 6.103 -3.168 1.00 57.30 N ATOM 1616 CA LYS A 173 -22.550 5.559 -3.772 1.00 58.87 C ATOM 1617 C LYS A 173 -23.606 5.120 -2.729 1.00 58.26 C ATOM 1618 O LYS A 173 -24.255 4.079 -2.882 1.00 58.18 O ATOM 1619 CB LYS A 173 -22.220 4.432 -4.768 1.00 58.85 C ATOM 1620 CG LYS A 173 -21.170 4.801 -5.817 1.00 57.42 C ATOM 1621 CD LYS A 173 -21.043 3.724 -6.884 1.00 58.13 C ATOM 1622 CE LYS A 173 -19.972 4.076 -7.904 1.00 58.68 C ATOM 1623 NZ LYS A 173 -19.835 3.029 -8.955 1.00 59.72 N ATOM 1624 HZ1 LYS A 173 -19.576 2.125 -8.511 1.00 0.00 H ATOM 1625 HZ2 LYS A 173 -20.740 2.923 -9.457 1.00 0.00 H ATOM 1626 HZ3 LYS A 173 -19.094 3.310 -9.629 1.00 0.00 H ATOM 1627 H LYS A 173 -21.051 7.080 -3.405 1.00 0.00 H ATOM 1628 N GLY A 174 -23.779 5.940 -1.686 1.00 58.07 N ATOM 1629 CA GLY A 174 -24.688 5.649 -0.562 1.00 58.31 C ATOM 1630 C GLY A 174 -24.362 4.445 0.301 1.00 56.34 C ATOM 1631 O GLY A 174 -25.266 3.872 0.916 1.00 56.75 O ATOM 1632 H GLY A 174 -23.243 6.831 -1.667 1.00 0.00 H ATOM 1633 N ASN A 175 -23.084 4.062 0.334 1.00 53.92 N ATOM 1634 CA ASN A 175 -22.585 2.974 1.162 1.00 51.88 C ATOM 1635 C ASN A 175 -21.562 3.617 2.076 1.00 50.16 C ATOM 1636 O ASN A 175 -20.497 4.051 1.616 1.00 51.12 O ATOM 1637 CB ASN A 175 -21.945 1.881 0.302 1.00 52.05 C ATOM 1638 CG ASN A 175 -22.977 1.048 -0.443 1.00 54.50 C ATOM 1639 OD1 ASN A 175 -23.808 0.387 0.180 1.00 55.05 O ATOM 1640 ND2 ASN A 175 -22.936 1.073 -1.775 1.00 56.06 N ATOM 1641 HD22 ASN A 175 -22.217 1.645 -2.262 1.00 0.00 H ATOM 1642 HD21 ASN A 175 -23.623 0.520 -2.327 1.00 0.00 H ATOM 1643 H ASN A 175 -22.405 4.571 -0.267 1.00 0.00 H ATOM 1644 N LYS A 176 -21.917 3.727 3.356 1.00 48.19 N ATOM 1645 CA LYS A 176 -21.014 4.241 4.391 1.00 44.23 C ATOM 1646 C LYS A 176 -19.810 3.305 4.523 1.00 40.59 C ATOM 1647 O LYS A 176 -19.986 2.089 4.452 1.00 40.37 O ATOM 1648 CB LYS A 176 -21.744 4.344 5.730 1.00 44.66 C ATOM 1649 CG LYS A 176 -22.827 5.407 5.765 1.00 47.21 C ATOM 1650 CD LYS A 176 -23.589 5.370 7.077 1.00 48.51 C ATOM 1651 CE LYS A 176 -24.724 6.379 7.089 1.00 51.90 C ATOM 1652 NZ LYS A 176 -25.179 6.699 8.471 1.00 53.79 N ATOM 1653 HZ1 LYS A 176 -25.514 5.830 8.934 1.00 0.00 H ATOM 1654 HZ2 LYS A 176 -24.386 7.098 9.012 1.00 0.00 H ATOM 1655 HZ3 LYS A 176 -25.954 7.391 8.428 1.00 0.00 H ATOM 1656 H LYS A 176 -22.876 3.436 3.633 1.00 0.00 H ATOM 1657 N HIS A 177 -18.607 3.860 4.704 1.00 38.14 N ATOM 1658 CA HIS A 177 -17.370 3.060 4.742 1.00 35.82 C ATOM 1659 C HIS A 177 -16.360 3.480 5.801 1.00 35.39 C ATOM 1660 O HIS A 177 -16.419 4.593 6.310 1.00 36.83 O ATOM 1661 CB HIS A 177 -16.686 3.023 3.359 1.00 34.52 C ATOM 1662 CG HIS A 177 -16.070 4.324 2.924 1.00 34.22 C ATOM 1663 ND1 HIS A 177 -16.694 5.189 2.050 1.00 36.06 N ATOM 1664 CD2 HIS A 177 -14.872 4.887 3.209 1.00 33.00 C ATOM 1665 CE1 HIS A 177 -15.915 6.232 1.830 1.00 35.66 C ATOM 1666 NE2 HIS A 177 -14.802 6.072 2.519 1.00 33.81 N ATOM 1667 H HIS A 177 -18.542 4.891 4.822 1.00 0.00 H ATOM 1668 N TRP A 178 -15.458 2.550 6.123 1.00 34.69 N ATOM 1669 CA TRP A 178 -14.195 2.824 6.808 1.00 33.38 C ATOM 1670 C TRP A 178 -13.099 2.857 5.755 1.00 32.68 C ATOM 1671 O TRP A 178 -13.034 1.943 4.938 1.00 33.79 O ATOM 1672 CB TRP A 178 -13.863 1.711 7.807 1.00 32.73 C ATOM 1673 CG TRP A 178 -14.890 1.515 8.862 1.00 33.52 C ATOM 1674 CD1 TRP A 178 -15.796 0.496 8.948 1.00 34.90 C ATOM 1675 CD2 TRP A 178 -15.126 2.360 9.989 1.00 34.27 C ATOM 1676 NE1 TRP A 178 -16.583 0.651 10.067 1.00 36.17 N ATOM 1677 CE2 TRP A 178 -16.196 1.787 10.724 1.00 35.39 C ATOM 1678 CE3 TRP A 178 -14.541 3.553 10.453 1.00 34.36 C ATOM 1679 CZ2 TRP A 178 -16.698 2.364 11.895 1.00 36.50 C ATOM 1680 CZ3 TRP A 178 -15.043 4.134 11.627 1.00 35.25 C ATOM 1681 CH2 TRP A 178 -16.112 3.529 12.331 1.00 36.57 C ATOM 1682 HE1 TRP A 178 -17.346 0.010 10.364 1.00 0.00 H ATOM 1683 H TRP A 178 -15.668 1.563 5.870 1.00 0.00 H ATOM 1684 N ILE A 179 -12.270 3.905 5.764 1.00 32.45 N ATOM 1685 CA ILE A 179 -11.052 4.002 4.935 1.00 31.74 C ATOM 1686 C ILE A 179 -9.956 3.234 5.678 1.00 30.63 C ATOM 1687 O ILE A 179 -9.549 3.651 6.763 1.00 28.42 O ATOM 1688 CB ILE A 179 -10.596 5.475 4.682 1.00 32.71 C ATOM 1689 CG1 ILE A 179 -11.720 6.305 4.029 1.00 35.05 C ATOM 1690 CG2 ILE A 179 -9.359 5.521 3.774 1.00 32.22 C ATOM 1691 CD1 ILE A 179 -11.528 7.810 4.091 1.00 36.81 C ATOM 1692 H ILE A 179 -12.497 4.701 6.394 1.00 0.00 H ATOM 1693 N ILE A 180 -9.465 2.148 5.067 1.00 30.75 N ATOM 1694 CA ILE A 180 -8.582 1.175 5.724 1.00 29.43 C ATOM 1695 C ILE A 180 -7.253 1.073 4.978 1.00 29.34 C ATOM 1696 O ILE A 180 -7.255 0.843 3.778 1.00 33.72 O ATOM 1697 CB ILE A 180 -9.239 -0.231 5.762 1.00 28.92 C ATOM 1698 CG1 ILE A 180 -10.618 -0.200 6.446 1.00 29.69 C ATOM 1699 CG2 ILE A 180 -8.341 -1.281 6.421 1.00 28.17 C ATOM 1700 CD1 ILE A 180 -10.628 0.174 7.915 1.00 28.51 C ATOM 1701 H ILE A 180 -9.723 1.985 4.073 1.00 0.00 H ATOM 1702 N LYS A 181 -6.139 1.178 5.706 1.00 29.20 N ATOM 1703 CA LYS A 181 -4.793 0.921 5.173 1.00 29.60 C ATOM 1704 C LYS A 181 -4.377 -0.525 5.483 1.00 28.91 C ATOM 1705 O LYS A 181 -4.279 -0.902 6.643 1.00 31.94 O ATOM 1706 CB LYS A 181 -3.800 1.908 5.783 1.00 29.72 C ATOM 1707 CG LYS A 181 -2.442 1.988 5.103 1.00 30.00 C ATOM 1708 CD LYS A 181 -1.546 2.945 5.868 1.00 28.92 C ATOM 1709 CE LYS A 181 -0.143 3.009 5.301 1.00 29.80 C ATOM 1710 NZ LYS A 181 0.749 3.800 6.194 1.00 29.90 N ATOM 1711 HZ1 LYS A 181 0.378 4.767 6.285 1.00 0.00 H ATOM 1712 HZ2 LYS A 181 0.785 3.352 7.132 1.00 0.00 H ATOM 1713 HZ3 LYS A 181 1.706 3.831 5.787 1.00 0.00 H ATOM 1714 H LYS A 181 -6.228 1.457 6.704 1.00 0.00 H ATOM 1715 N ASN A 182 -4.176 -1.333 4.440 1.00 28.61 N ATOM 1716 CA ASN A 182 -3.556 -2.659 4.560 1.00 28.45 C ATOM 1717 C ASN A 182 -2.029 -2.490 4.453 1.00 27.65 C ATOM 1718 O ASN A 182 -1.526 -1.392 4.171 1.00 28.96 O ATOM 1719 CB ASN A 182 -4.108 -3.609 3.465 1.00 30.84 C ATOM 1720 CG ASN A 182 -4.045 -5.095 3.849 1.00 31.77 C ATOM 1721 OD1 ASN A 182 -3.267 -5.500 4.710 1.00 33.01 O ATOM 1722 ND2 ASN A 182 -4.856 -5.915 3.193 1.00 32.82 N ATOM 1723 HD22 ASN A 182 -5.502 -5.539 2.470 1.00 0.00 H ATOM 1724 HD21 ASN A 182 -4.845 -6.934 3.402 1.00 0.00 H ATOM 1725 H ASN A 182 -4.472 -1.008 3.498 1.00 0.00 H ATOM 1726 N SER A 183 -1.306 -3.574 4.707 1.00 27.13 N ATOM 1727 CA SER A 183 0.148 -3.648 4.548 1.00 28.23 C ATOM 1728 C SER A 183 0.573 -4.825 3.638 1.00 29.28 C ATOM 1729 O SER A 183 1.535 -5.548 3.939 1.00 28.96 O ATOM 1730 CB SER A 183 0.775 -3.768 5.942 1.00 27.33 C ATOM 1731 OG SER A 183 0.292 -4.924 6.602 1.00 25.70 O ATOM 1732 HG SER A 183 0.526 -5.727 6.072 1.00 0.00 H ATOM 1733 H SER A 183 -1.804 -4.424 5.040 1.00 0.00 H ATOM 1734 N TRP A 184 -0.145 -5.003 2.524 1.00 30.94 N ATOM 1735 CA TRP A 184 0.219 -5.982 1.478 1.00 31.54 C ATOM 1736 C TRP A 184 0.780 -5.288 0.213 1.00 32.46 C ATOM 1737 O TRP A 184 0.619 -5.798 -0.905 1.00 33.64 O ATOM 1738 CB TRP A 184 -0.982 -6.879 1.138 1.00 31.69 C ATOM 1739 CG TRP A 184 -1.581 -7.636 2.301 1.00 31.59 C ATOM 1740 CD1 TRP A 184 -1.014 -7.885 3.522 1.00 30.59 C ATOM 1741 CD2 TRP A 184 -2.855 -8.287 2.318 1.00 32.42 C ATOM 1742 NE1 TRP A 184 -1.872 -8.620 4.304 1.00 31.03 N ATOM 1743 CE2 TRP A 184 -3.008 -8.885 3.590 1.00 31.50 C ATOM 1744 CE3 TRP A 184 -3.891 -8.411 1.383 1.00 32.74 C ATOM 1745 CZ2 TRP A 184 -4.169 -9.602 3.954 1.00 32.27 C ATOM 1746 CZ3 TRP A 184 -5.052 -9.125 1.738 1.00 33.73 C ATOM 1747 CH2 TRP A 184 -5.176 -9.712 3.019 1.00 32.76 C ATOM 1748 HE1 TRP A 184 -1.687 -8.925 5.281 1.00 0.00 H ATOM 1749 H TRP A 184 -0.999 -4.426 2.387 1.00 0.00 H ATOM 1750 N GLY A 185 1.457 -4.146 0.392 1.00 31.06 N ATOM 1751 CA GLY A 185 2.049 -3.397 -0.715 1.00 32.72 C ATOM 1752 C GLY A 185 1.081 -2.508 -1.481 1.00 33.21 C ATOM 1753 O GLY A 185 -0.145 -2.604 -1.325 1.00 31.84 O ATOM 1754 H GLY A 185 1.566 -3.777 1.358 1.00 0.00 H ATOM 1755 N GLU A 186 1.661 -1.642 -2.310 1.00 34.06 N ATOM 1756 CA GLU A 186 0.910 -0.649 -3.097 1.00 36.57 C ATOM 1757 C GLU A 186 0.026 -1.237 -4.227 1.00 37.41 C ATOM 1758 O GLU A 186 -0.971 -0.623 -4.596 1.00 36.92 O ATOM 1759 CB GLU A 186 1.842 0.467 -3.637 1.00 39.85 C ATOM 1760 CG GLU A 186 2.962 0.055 -4.613 1.00 43.02 C ATOM 1761 CD GLU A 186 4.339 -0.096 -3.957 1.00 44.64 C ATOM 1762 OE1 GLU A 186 5.324 0.463 -4.488 1.00 46.51 O ATOM 1763 OE2 GLU A 186 4.438 -0.782 -2.910 1.00 42.82 O ATOM 1764 H GLU A 186 2.696 -1.668 -2.407 1.00 0.00 H ATOM 1765 N ASN A 187 0.376 -2.417 -4.748 1.00 37.60 N ATOM 1766 CA ASN A 187 -0.392 -3.063 -5.831 1.00 39.13 C ATOM 1767 C ASN A 187 -1.606 -3.903 -5.401 1.00 37.81 C ATOM 1768 O ASN A 187 -2.373 -4.325 -6.263 1.00 38.49 O ATOM 1769 CB ASN A 187 0.545 -3.863 -6.739 1.00 41.69 C ATOM 1770 CG ASN A 187 1.379 -2.966 -7.639 1.00 44.09 C ATOM 1771 OD1 ASN A 187 0.838 -2.317 -8.532 1.00 46.81 O ATOM 1772 ND2 ASN A 187 2.690 -2.918 -7.417 1.00 44.86 N ATOM 1773 HD22 ASN A 187 3.109 -3.483 -6.651 1.00 0.00 H ATOM 1774 HD21 ASN A 187 3.296 -2.316 -8.010 1.00 0.00 H ATOM 1775 H ASN A 187 1.220 -2.898 -4.377 1.00 0.00 H ATOM 1776 N TRP A 188 -1.784 -4.150 -4.102 1.00 35.75 N ATOM 1777 CA TRP A 188 -3.028 -4.739 -3.581 1.00 35.09 C ATOM 1778 C TRP A 188 -4.110 -3.659 -3.464 1.00 34.76 C ATOM 1779 O TRP A 188 -3.807 -2.510 -3.155 1.00 34.10 O ATOM 1780 CB TRP A 188 -2.797 -5.385 -2.204 1.00 34.61 C ATOM 1781 CG TRP A 188 -4.021 -6.051 -1.659 1.00 34.55 C ATOM 1782 CD1 TRP A 188 -4.436 -7.323 -1.908 1.00 36.08 C ATOM 1783 CD2 TRP A 188 -5.020 -5.454 -0.820 1.00 33.43 C ATOM 1784 NE1 TRP A 188 -5.618 -7.569 -1.251 1.00 36.94 N ATOM 1785 CE2 TRP A 188 -6.005 -6.438 -0.581 1.00 34.30 C ATOM 1786 CE3 TRP A 188 -5.185 -4.175 -0.257 1.00 32.73 C ATOM 1787 CZ2 TRP A 188 -7.143 -6.194 0.214 1.00 33.79 C ATOM 1788 CZ3 TRP A 188 -6.330 -3.920 0.533 1.00 32.39 C ATOM 1789 CH2 TRP A 188 -7.292 -4.937 0.759 1.00 32.76 C ATOM 1790 HE1 TRP A 188 -6.136 -8.471 -1.261 1.00 0.00 H ATOM 1791 H TRP A 188 -1.019 -3.919 -3.436 1.00 0.00 H ATOM 1792 N GLY A 189 -5.366 -4.052 -3.685 1.00 34.91 N ATOM 1793 CA GLY A 189 -6.523 -3.214 -3.390 1.00 33.99 C ATOM 1794 C GLY A 189 -6.654 -2.031 -4.330 1.00 35.60 C ATOM 1795 O GLY A 189 -6.414 -2.158 -5.539 1.00 36.15 O ATOM 1796 H GLY A 189 -5.527 -4.998 -4.086 1.00 0.00 H ATOM 1797 N ASN A 190 -7.052 -0.894 -3.758 1.00 34.90 N ATOM 1798 CA ASN A 190 -7.013 0.406 -4.417 1.00 35.40 C ATOM 1799 C ASN A 190 -5.810 1.169 -3.845 1.00 34.30 C ATOM 1800 O ASN A 190 -5.938 1.937 -2.896 1.00 31.95 O ATOM 1801 CB ASN A 190 -8.350 1.138 -4.199 1.00 35.77 C ATOM 1802 CG ASN A 190 -8.535 2.334 -5.125 1.00 37.23 C ATOM 1803 OD1 ASN A 190 -7.574 2.904 -5.643 1.00 37.76 O ATOM 1804 ND2 ASN A 190 -9.787 2.721 -5.335 1.00 38.36 N ATOM 1805 HD22 ASN A 190 -10.572 2.213 -4.879 1.00 0.00 H ATOM 1806 HD21 ASN A 190 -9.983 3.532 -5.956 1.00 0.00 H ATOM 1807 H ASN A 190 -7.412 -0.937 -2.783 1.00 0.00 H ATOM 1808 N LYS A 191 -4.642 0.905 -4.436 1.00 36.38 N ATOM 1809 CA LYS A 191 -3.353 1.524 -4.079 1.00 36.95 C ATOM 1810 C LYS A 191 -2.891 1.166 -2.652 1.00 35.65 C ATOM 1811 O LYS A 191 -2.274 1.986 -1.966 1.00 33.99 O ATOM 1812 CB LYS A 191 -3.378 3.051 -4.311 1.00 38.75 C ATOM 1813 CG LYS A 191 -3.893 3.463 -5.681 1.00 41.52 C ATOM 1814 CD LYS A 191 -3.460 4.813 -6.105 1.00 40.97 C ATOM 1815 CE LYS A 191 -3.948 5.147 -7.507 1.00 43.86 C ATOM 1816 NZ LYS A 191 -3.301 4.313 -8.559 1.00 45.41 N ATOM 1817 HZ1 LYS A 191 -2.272 4.465 -8.536 1.00 0.00 H ATOM 1818 HZ2 LYS A 191 -3.509 3.310 -8.381 1.00 0.00 H ATOM 1819 HZ3 LYS A 191 -3.672 4.585 -9.492 1.00 0.00 H ATOM 1820 H LYS A 191 -4.642 0.208 -5.208 1.00 0.00 H ATOM 1821 N GLY A 192 -3.192 -0.071 -2.236 1.00 35.94 N ATOM 1822 CA GLY A 192 -3.017 -0.546 -0.864 1.00 33.86 C ATOM 1823 C GLY A 192 -4.227 -0.449 0.048 1.00 33.68 C ATOM 1824 O GLY A 192 -4.306 -1.194 1.037 1.00 31.11 O ATOM 1825 H GLY A 192 -3.576 -0.738 -2.935 1.00 0.00 H ATOM 1826 N TYR A 193 -5.159 0.458 -0.265 1.00 34.49 N ATOM 1827 CA TYR A 193 -6.310 0.742 0.586 1.00 35.61 C ATOM 1828 C TYR A 193 -7.544 -0.065 0.210 1.00 37.70 C ATOM 1829 O TYR A 193 -7.705 -0.488 -0.942 1.00 40.61 O ATOM 1830 CB TYR A 193 -6.628 2.244 0.572 1.00 37.39 C ATOM 1831 CG TYR A 193 -5.561 3.060 1.255 1.00 37.29 C ATOM 1832 CD1 TYR A 193 -4.399 3.448 0.568 1.00 39.61 C ATOM 1833 CD2 TYR A 193 -5.684 3.426 2.604 1.00 36.91 C ATOM 1834 CE1 TYR A 193 -3.399 4.185 1.200 1.00 39.34 C ATOM 1835 CE2 TYR A 193 -4.687 4.161 3.247 1.00 36.73 C ATOM 1836 CZ TYR A 193 -3.551 4.541 2.543 1.00 38.04 C ATOM 1837 OH TYR A 193 -2.570 5.271 3.166 1.00 41.30 O ATOM 1838 HH TYR A 193 -1.839 5.454 2.524 1.00 0.00 H ATOM 1839 H TYR A 193 -5.059 0.985 -1.156 1.00 0.00 H ATOM 1840 N ILE A 194 -8.397 -0.278 1.213 1.00 37.58 N ATOM 1841 CA ILE A 194 -9.743 -0.833 1.042 1.00 38.66 C ATOM 1842 C ILE A 194 -10.737 0.071 1.783 1.00 38.73 C ATOM 1843 O ILE A 194 -10.386 0.719 2.773 1.00 38.64 O ATOM 1844 CB ILE A 194 -9.836 -2.332 1.475 1.00 39.48 C ATOM 1845 CG1 ILE A 194 -11.244 -2.905 1.249 1.00 42.67 C ATOM 1846 CG2 ILE A 194 -9.425 -2.557 2.928 1.00 36.34 C ATOM 1847 CD1 ILE A 194 -11.289 -4.420 1.184 1.00 45.04 C ATOM 1848 H ILE A 194 -8.088 -0.035 2.176 1.00 0.00 H ATOM 1849 N LEU A 195 -11.950 0.152 1.242 1.00 39.84 N ATOM 1850 CA LEU A 195 -13.071 0.817 1.867 1.00 40.05 C ATOM 1851 C LEU A 195 -13.977 -0.320 2.308 1.00 40.83 C ATOM 1852 O LEU A 195 -14.558 -1.009 1.465 1.00 46.66 O ATOM 1853 CB LEU A 195 -13.766 1.764 0.886 1.00 41.71 C ATOM 1854 CG LEU A 195 -12.883 2.767 0.125 1.00 41.14 C ATOM 1855 CD1 LEU A 195 -13.732 3.520 -0.892 1.00 42.69 C ATOM 1856 CD2 LEU A 195 -12.157 3.735 1.050 1.00 39.25 C ATOM 1857 H LEU A 195 -12.101 -0.290 0.313 1.00 0.00 H ATOM 1858 N MET A 196 -14.045 -0.554 3.616 1.00 37.97 N ATOM 1859 CA MET A 196 -14.867 -1.627 4.195 1.00 38.53 C ATOM 1860 C MET A 196 -16.166 -1.044 4.723 1.00 38.79 C ATOM 1861 O MET A 196 -16.191 0.102 5.177 1.00 37.37 O ATOM 1862 CB MET A 196 -14.114 -2.338 5.314 1.00 37.67 C ATOM 1863 CG MET A 196 -12.884 -3.081 4.828 1.00 37.49 C ATOM 1864 SD MET A 196 -12.007 -3.919 6.155 1.00 39.35 S ATOM 1865 CE MET A 196 -13.133 -5.276 6.491 1.00 40.13 C ATOM 1866 H MET A 196 -13.492 0.049 4.258 1.00 0.00 H ATOM 1867 N ALA A 197 -17.227 -1.853 4.684 1.00 40.07 N ATOM 1868 CA ALA A 197 -18.587 -1.399 5.015 1.00 41.74 C ATOM 1869 C ALA A 197 -18.722 -0.946 6.482 1.00 39.99 C ATOM 1870 O ALA A 197 -18.396 -1.704 7.406 1.00 38.62 O ATOM 1871 CB ALA A 197 -19.616 -2.484 4.698 1.00 43.25 C ATOM 1872 H ALA A 197 -17.087 -2.846 4.408 1.00 0.00 H ATOM 1873 N ARG A 198 -19.187 0.294 6.662 1.00 39.85 N ATOM 1874 CA ARG A 198 -19.442 0.899 7.975 1.00 40.07 C ATOM 1875 C ARG A 198 -20.935 0.807 8.303 1.00 43.07 C ATOM 1876 O ARG A 198 -21.778 0.916 7.403 1.00 44.76 O ATOM 1877 CB ARG A 198 -18.971 2.357 8.000 1.00 38.50 C ATOM 1878 CG ARG A 198 -19.196 3.092 9.318 1.00 39.21 C ATOM 1879 CD ARG A 198 -18.329 4.334 9.447 1.00 38.94 C ATOM 1880 NE ARG A 198 -18.494 5.269 8.330 1.00 39.85 N ATOM 1881 CZ ARG A 198 -19.510 6.125 8.158 1.00 41.11 C ATOM 1882 NH1 ARG A 198 -20.542 6.187 9.012 1.00 43.16 N ATOM 1883 NH2 ARG A 198 -19.505 6.920 7.089 1.00 41.01 N ATOM 1884 HE ARG A 198 -17.752 5.268 7.602 1.00 0.00 H ATOM 1885 HH12 ARG A 198 -21.314 6.864 8.847 1.00 0.00 H ATOM 1886 HH11 ARG A 198 -20.571 5.558 9.840 1.00 0.00 H ATOM 1887 HH22 ARG A 198 -20.284 7.592 6.937 1.00 0.00 H ATOM 1888 HH21 ARG A 198 -18.722 6.869 6.407 1.00 0.00 H ATOM 1889 H ARG A 198 -19.381 0.868 5.817 1.00 0.00 H ATOM 1890 N ASN A 199 -21.238 0.653 9.595 1.00 43.95 N ATOM 1891 CA ASN A 199 -22.597 0.437 10.128 1.00 46.53 C ATOM 1892 C ASN A 199 -23.404 -0.660 9.422 1.00 48.34 C ATOM 1893 O ASN A 199 -24.574 -0.444 9.094 1.00 50.39 O ATOM 1894 CB ASN A 199 -23.394 1.749 10.116 1.00 47.52 C ATOM 1895 CG ASN A 199 -22.822 2.793 11.057 1.00 46.73 C ATOM 1896 OD1 ASN A 199 -23.469 3.798 11.351 1.00 48.12 O ATOM 1897 ND2 ASN A 199 -21.605 2.563 11.536 1.00 44.32 N ATOM 1898 HD22 ASN A 199 -21.093 1.701 11.262 1.00 0.00 H ATOM 1899 HD21 ASN A 199 -21.164 3.245 12.185 1.00 0.00 H ATOM 1900 H ASN A 199 -20.455 0.688 10.279 1.00 0.00 H ATOM 1901 N LYS A 200 -22.770 -1.815 9.196 1.00 48.04 N ATOM 1902 CA LYS A 200 -23.395 -2.964 8.505 1.00 49.96 C ATOM 1903 C LYS A 200 -23.237 -4.222 9.367 1.00 49.96 C ATOM 1904 O LYS A 200 -22.662 -5.234 8.945 1.00 48.42 O ATOM 1905 CB LYS A 200 -22.804 -3.113 7.094 1.00 49.47 C ATOM 1906 CG LYS A 200 -23.646 -3.964 6.150 1.00 51.91 C ATOM 1907 CD LYS A 200 -23.324 -3.672 4.694 1.00 51.85 C ATOM 1908 CE LYS A 200 -24.305 -4.355 3.759 1.00 54.37 C ATOM 1909 NZ LYS A 200 -23.945 -4.105 2.334 1.00 54.49 N ATOM 1910 HZ1 LYS A 200 -23.962 -3.082 2.148 1.00 0.00 H ATOM 1911 HZ2 LYS A 200 -22.992 -4.477 2.148 1.00 0.00 H ATOM 1912 HZ3 LYS A 200 -24.631 -4.583 1.715 1.00 0.00 H ATOM 1913 H LYS A 200 -21.787 -1.911 9.523 1.00 0.00 H ATOM 1914 N ASN A 201 -23.791 -4.123 10.580 1.00 51.58 N ATOM 1915 CA ASN A 201 -23.750 -5.170 11.617 1.00 52.17 C ATOM 1916 C ASN A 201 -22.323 -5.625 11.978 1.00 49.86 C ATOM 1917 O ASN A 201 -22.068 -6.823 12.152 1.00 50.48 O ATOM 1918 CB ASN A 201 -24.641 -6.355 11.211 1.00 54.17 C ATOM 1919 CG ASN A 201 -26.096 -5.937 10.958 1.00 54.95 C ATOM 1920 OD1 ASN A 201 -26.488 -4.787 11.173 1.00 55.16 O ATOM 1921 ND2 ASN A 201 -26.894 -6.882 10.472 1.00 57.12 N ATOM 1922 HD22 ASN A 201 -26.524 -7.840 10.305 1.00 0.00 H ATOM 1923 HD21 ASN A 201 -27.888 -6.664 10.259 1.00 0.00 H ATOM 1924 H ASN A 201 -24.289 -3.239 10.809 1.00 0.00 H ATOM 1925 N ASN A 202 -21.415 -4.646 12.089 1.00 48.19 N ATOM 1926 CA ASN A 202 -19.988 -4.857 12.398 1.00 45.54 C ATOM 1927 C ASN A 202 -19.303 -5.776 11.369 1.00 44.29 C ATOM 1928 O ASN A 202 -18.877 -6.896 11.687 1.00 42.86 O ATOM 1929 CB ASN A 202 -19.828 -5.340 13.859 1.00 45.76 C ATOM 1930 CG ASN A 202 -18.396 -5.219 14.387 1.00 44.35 C ATOM 1931 OD1 ASN A 202 -17.549 -4.524 13.828 1.00 41.40 O ATOM 1932 ND2 ASN A 202 -18.130 -5.889 15.493 1.00 45.45 N ATOM 1933 HD22 ASN A 202 -18.869 -6.468 15.941 1.00 0.00 H ATOM 1934 HD21 ASN A 202 -17.181 -5.838 15.916 1.00 0.00 H ATOM 1935 H ASN A 202 -21.739 -3.668 11.947 1.00 0.00 H ATOM 1936 N ALA A 203 -19.216 -5.268 10.135 1.00 43.43 N ATOM 1937 CA ALA A 203 -18.744 -6.040 8.971 1.00 43.13 C ATOM 1938 C ALA A 203 -17.272 -6.442 9.116 1.00 42.48 C ATOM 1939 O ALA A 203 -16.408 -5.579 9.292 1.00 40.36 O ATOM 1940 CB ALA A 203 -18.945 -5.250 7.686 1.00 43.10 C ATOM 1941 H ALA A 203 -19.496 -4.277 9.989 1.00 0.00 H ATOM 1942 N CYS A 204 -17.019 -7.753 9.070 1.00 44.03 N ATOM 1943 CA CYS A 204 -15.709 -8.368 9.358 1.00 43.87 C ATOM 1944 C CYS A 204 -15.136 -8.097 10.767 1.00 42.54 C ATOM 1945 O CYS A 204 -13.927 -8.215 10.971 1.00 41.37 O ATOM 1946 CB CYS A 204 -14.683 -8.003 8.265 1.00 43.82 C ATOM 1947 SG CYS A 204 -15.231 -8.382 6.593 1.00 48.50 S ATOM 1948 H CYS A 204 -17.803 -8.386 8.812 1.00 0.00 H ATOM 1949 N GLY A 205 -16.001 -7.783 11.737 1.00 44.60 N ATOM 1950 CA GLY A 205 -15.587 -7.440 13.106 1.00 44.64 C ATOM 1951 C GLY A 205 -14.625 -6.271 13.217 1.00 42.48 C ATOM 1952 O GLY A 205 -13.664 -6.326 13.996 1.00 43.18 O ATOM 1953 H GLY A 205 -17.016 -7.781 11.512 1.00 0.00 H ATOM 1954 N ILE A 206 -14.883 -5.234 12.418 1.00 40.23 N ATOM 1955 CA ILE A 206 -14.070 -4.001 12.383 1.00 38.03 C ATOM 1956 C ILE A 206 -13.926 -3.327 13.764 1.00 34.66 C ATOM 1957 O ILE A 206 -12.844 -2.847 14.097 1.00 31.93 O ATOM 1958 CB ILE A 206 -14.599 -3.004 11.296 1.00 38.37 C ATOM 1959 CG1 ILE A 206 -13.599 -1.866 11.010 1.00 38.57 C ATOM 1960 CG2 ILE A 206 -15.982 -2.447 11.634 1.00 39.26 C ATOM 1961 CD1 ILE A 206 -12.414 -2.287 10.167 1.00 37.72 C ATOM 1962 H ILE A 206 -15.704 -5.297 11.783 1.00 0.00 H ATOM 1963 N ALA A 207 -15.002 -3.341 14.554 1.00 35.67 N ATOM 1964 CA ALA A 207 -15.055 -2.710 15.890 1.00 36.09 C ATOM 1965 C ALA A 207 -14.646 -3.580 17.105 1.00 36.03 C ATOM 1966 O ALA A 207 -14.670 -3.078 18.232 1.00 36.51 O ATOM 1967 CB ALA A 207 -16.457 -2.152 16.114 1.00 37.80 C ATOM 1968 H ALA A 207 -15.855 -3.825 14.209 1.00 0.00 H ATOM 1969 N ASN A 208 -14.257 -4.844 16.895 1.00 36.23 N ATOM 1970 CA ASN A 208 -14.086 -5.820 18.005 1.00 38.39 C ATOM 1971 C ASN A 208 -12.750 -5.761 18.770 1.00 38.00 C ATOM 1972 O ASN A 208 -12.748 -5.907 19.999 1.00 40.73 O ATOM 1973 CB ASN A 208 -14.324 -7.270 17.516 1.00 39.75 C ATOM 1974 CG ASN A 208 -15.792 -7.607 17.300 1.00 41.61 C ATOM 1975 OD1 ASN A 208 -16.694 -6.878 17.723 1.00 42.69 O ATOM 1976 ND2 ASN A 208 -16.041 -8.734 16.633 1.00 43.24 N ATOM 1977 HD22 ASN A 208 -15.253 -9.322 16.293 1.00 0.00 H ATOM 1978 HD21 ASN A 208 -17.023 -9.026 16.453 1.00 0.00 H ATOM 1979 H ASN A 208 -14.068 -5.155 15.921 1.00 0.00 H ATOM 1980 N LEU A 209 -11.635 -5.585 18.056 1.00 36.55 N ATOM 1981 CA LEU A 209 -10.287 -5.521 18.668 1.00 35.25 C ATOM 1982 C LEU A 209 -9.601 -4.253 18.157 1.00 32.52 C ATOM 1983 O LEU A 209 -8.554 -4.301 17.494 1.00 31.63 O ATOM 1984 CB LEU A 209 -9.507 -6.823 18.379 1.00 35.91 C ATOM 1985 CG LEU A 209 -8.438 -7.398 19.327 1.00 36.96 C ATOM 1986 CD1 LEU A 209 -7.223 -6.504 19.444 1.00 36.24 C ATOM 1987 CD2 LEU A 209 -8.997 -7.705 20.710 1.00 39.65 C ATOM 1988 H LEU A 209 -11.717 -5.489 17.024 1.00 0.00 H ATOM 1989 N ALA A 210 -10.221 -3.121 18.505 1.00 32.02 N ATOM 1990 CA ALA A 210 -9.822 -1.780 18.048 1.00 31.63 C ATOM 1991 C ALA A 210 -9.187 -0.962 19.177 1.00 32.40 C ATOM 1992 O ALA A 210 -9.677 -0.991 20.309 1.00 34.19 O ATOM 1993 CB ALA A 210 -11.029 -1.046 17.481 1.00 31.33 C ATOM 1994 H ALA A 210 -11.040 -3.193 19.141 1.00 0.00 H ATOM 1995 N SER A 211 -8.114 -0.227 18.859 1.00 32.19 N ATOM 1996 CA SER A 211 -7.348 0.554 19.857 1.00 31.54 C ATOM 1997 C SER A 211 -6.438 1.633 19.240 1.00 31.37 C ATOM 1998 O SER A 211 -6.089 1.547 18.061 1.00 29.71 O ATOM 1999 CB SER A 211 -6.490 -0.385 20.714 1.00 30.66 C ATOM 2000 OG SER A 211 -5.499 -1.021 19.935 1.00 28.17 O ATOM 2001 HG SER A 211 -5.933 -1.551 19.220 1.00 0.00 H ATOM 2002 H SER A 211 -7.805 -0.204 17.866 1.00 0.00 H ATOM 2003 N PHE A 212 -6.058 2.625 20.056 1.00 33.38 N ATOM 2004 CA PHE A 212 -5.103 3.686 19.665 1.00 34.15 C ATOM 2005 C PHE A 212 -4.126 4.045 20.793 1.00 36.15 C ATOM 2006 O PHE A 212 -4.514 3.975 21.967 1.00 38.07 O ATOM 2007 CB PHE A 212 -5.830 4.960 19.184 1.00 34.70 C ATOM 2008 CG PHE A 212 -6.779 5.575 20.193 1.00 36.35 C ATOM 2009 CD1 PHE A 212 -6.322 6.493 21.150 1.00 36.72 C ATOM 2010 CD2 PHE A 212 -8.149 5.281 20.153 1.00 37.28 C ATOM 2011 CE1 PHE A 212 -7.198 7.081 22.057 1.00 38.90 C ATOM 2012 CE2 PHE A 212 -9.033 5.867 21.065 1.00 39.00 C ATOM 2013 CZ PHE A 212 -8.556 6.764 22.020 1.00 40.37 C ATOM 2014 H PHE A 212 -6.456 2.651 21.017 1.00 0.00 H ATOM 2015 N PRO A 213 -2.876 4.454 20.448 1.00 35.32 N ATOM 2016 CA PRO A 213 -1.963 5.002 21.458 1.00 38.01 C ATOM 2017 C PRO A 213 -2.229 6.495 21.725 1.00 39.57 C ATOM 2018 O PRO A 213 -2.813 7.184 20.881 1.00 38.49 O ATOM 2019 CB PRO A 213 -0.591 4.806 20.811 1.00 36.08 C ATOM 2020 CG PRO A 213 -0.853 4.985 19.359 1.00 33.61 C ATOM 2021 CD PRO A 213 -2.263 4.524 19.107 1.00 34.10 C ATOM 2022 N LYS A 214 -1.830 6.961 22.906 1.00 44.76 N ATOM 2023 CA LYS A 214 -1.740 8.395 23.225 1.00 48.09 C ATOM 2024 C LYS A 214 -0.256 8.729 23.335 1.00 48.88 C ATOM 2025 O LYS A 214 0.485 8.011 24.013 1.00 47.90 O ATOM 2026 CB LYS A 214 -2.465 8.719 24.530 1.00 52.30 C ATOM 2027 CG LYS A 214 -3.981 8.673 24.422 1.00 53.91 C ATOM 2028 CD LYS A 214 -4.598 9.793 23.613 1.00 51.66 C ATOM 2029 CE LYS A 214 -6.035 10.096 24.018 1.00 53.35 C ATOM 2030 NZ LYS A 214 -6.831 10.651 22.890 1.00 53.14 N ATOM 2031 HZ1 LYS A 214 -6.394 11.535 22.561 1.00 0.00 H ATOM 2032 HZ2 LYS A 214 -6.852 9.963 22.111 1.00 0.00 H ATOM 2033 HZ3 LYS A 214 -7.801 10.841 23.213 1.00 0.00 H ATOM 2034 H LYS A 214 -1.568 6.275 23.643 1.00 0.00 H ATOM 2035 N MET A 215 0.161 9.810 22.672 1.00 51.31 N ATOM 2036 CA MET A 215 1.576 10.182 22.531 1.00 54.02 C ATOM 2037 C MET A 215 1.921 11.444 23.321 1.00 57.26 C ATOM 2038 O MET A 215 3.094 11.802 23.443 1.00 59.77 O ATOM 2039 CB MET A 215 1.899 10.380 21.045 1.00 55.25 C ATOM 2040 CG MET A 215 3.371 10.230 20.687 1.00 56.29 C ATOM 2041 SD MET A 215 3.655 9.657 19.001 1.00 53.82 S ATOM 2042 CE MET A 215 3.071 7.963 19.036 1.00 53.40 C ATOM 2043 OXT MET A 215 1.067 12.155 23.859 1.00 57.63 O ATOM 2044 H MET A 215 -0.555 10.423 22.231 1.00 0.00 H TER 2045 MET A 215 HETATM 2046 O HOH 1 -6.290 -3.448 19.256 1.00 20.79 O HETATM 2047 O HOH 2 6.706 2.271 8.935 1.00 31.19 O HETATM 2048 O HOH 3 -0.711 11.246 4.974 1.00 27.80 O HETATM 2049 O HOH 4 -1.056 11.532 20.824 1.00 32.91 O HETATM 2050 O HOH 5 0.710 5.450 8.435 1.00 22.06 O HETATM 2051 O HOH 6 -12.041 10.771 1.281 1.00 28.81 O HETATM 2052 O HOH 7 -25.036 -0.233 6.398 1.00 36.50 O HETATM 2053 O HOH 8 8.070 -6.754 27.888 1.00 30.06 O HETATM 2054 O HOH 9 -1.518 -3.150 1.023 1.00 24.94 O HETATM 2055 O HOH 10 -8.857 1.533 27.248 1.00 28.53 O HETATM 2056 O HOH 11 19.665 -0.366 15.689 1.00 34.30 O HETATM 2057 O HOH 12 -2.055 -12.582 18.535 1.00 50.65 O HETATM 2058 O HOH 13 -1.309 -14.093 4.995 1.00 17.23 O HETATM 2059 O HOH 14 11.531 7.149 8.373 1.00 32.54 O HETATM 2060 O HOH 15 -20.275 -14.979 11.671 1.00 36.67 O HETATM 2061 O HOH 16 2.140 9.330 1.991 1.00 34.17 O HETATM 2062 O HOH 17 -24.658 1.755 4.197 1.00 25.26 O HETATM 2063 O HOH 18 1.463 -9.129 0.959 1.00 24.75 O HETATM 2064 O HOH 19 0.085 -12.892 20.670 1.00 42.63 O HETATM 2065 C1 G A 4 5.551 -21.983 12.882 1.00 -0.07 C HETATM 2066 C2 G A 4 4.168 -21.378 12.785 1.00 -0.06 C HETATM 2067 C3 G A 4 3.571 -21.146 14.167 1.00 -0.05 C HETATM 2068 C4 G A 4 2.209 -20.471 14.056 1.00 -0.05 C HETATM 2069 C5 G A 4 1.594 -20.225 15.428 1.00 -0.05 C HETATM 2070 C6 G A 4 0.197 -19.637 15.283 1.00 -0.04 C HETATM 2071 C7 G A 4 -0.396 -19.363 16.643 1.00 -0.10 C HETATM 2072 C8 G A 4 -1.614 -18.839 16.737 1.00 -0.08 C HETATM 2073 C9 G A 4 -2.402 -18.520 15.487 1.00 0.05 C HETATM 2074 C10 G A 4 -3.621 -17.709 15.868 1.00 0.19 C HETATM 2075 O11 G A 4 -4.625 -18.315 16.215 1.00 -0.39 O HETATM 2076 N12 G A 4 -3.521 -16.336 15.792 1.00 -0.26 N HETATM 2077 C13 G A 4 -4.587 -15.421 16.163 1.00 0.14 C HETATM 2078 C15 G A 4 -4.543 -15.220 17.693 1.00 0.02 C HETATM 2079 C16 G A 4 -5.915 -15.173 18.342 1.00 -0.05 C HETATM 2080 C17 G A 4 -6.208 -16.014 19.434 1.00 -0.07 C HETATM 2081 C18 G A 4 -7.471 -15.967 20.046 1.00 -0.04 C HETATM 2082 C19 G A 4 -8.450 -15.075 19.579 1.00 0.08 C HETATM 2083 C20 G A 4 -8.160 -14.228 18.497 1.00 -0.04 C HETATM 2084 C21 G A 4 -6.897 -14.276 17.884 1.00 -0.07 C HETATM 2085 H20 G A 4 -6.678 -13.617 17.052 1.00 0.05 H HETATM 2086 H32 G A 4 -8.912 -13.536 18.134 1.00 0.05 H HETATM 2087 O22 G A 4 -9.675 -15.034 20.177 1.00 -0.34 O HETATM 2088 H33 G A 4 -9.702 -15.666 20.885 1.00 0.25 H HETATM 2089 H19 G A 4 -7.691 -16.621 20.882 1.00 0.05 H HETATM 2090 H18 G A 4 -5.455 -16.701 19.803 1.00 0.05 H HETATM 2091 H16 G A 4 -3.977 -16.053 18.137 1.00 0.05 H HETATM 2092 H17 G A 4 -4.026 -14.272 17.904 1.00 0.05 H HETATM 2093 C23 G A 4 -4.530 -14.212 15.234 1.00 0.21 C HETATM 2094 O24 G A 4 -4.929 -14.440 14.107 1.00 -0.39 O HETATM 2095 N25 G A 4 -4.079 -12.987 15.587 1.00 -0.26 N HETATM 2096 C26 G A 4 -4.026 -11.828 14.689 1.00 0.13 C HETATM 2097 C31 G A 4 -2.642 -11.764 14.085 1.00 0.20 C HETATM 2098 O32 G A 4 -1.714 -11.512 14.844 1.00 -0.39 O HETATM 2099 N33 G A 4 -2.508 -11.986 12.760 1.00 -0.28 N HETATM 2100 C34 G A 4 -1.230 -11.950 12.033 1.00 0.07 C HETATM 2101 C36 G A 4 -0.691 -13.360 11.765 1.00 0.10 C HETATM 2102 O37 G A 4 -1.606 -14.207 11.074 1.00 -0.27 O HETATM 2103 C38 G A 4 -2.390 -15.316 11.625 1.00 0.26 C HETATM 2104 C40 G A 4 -3.742 -15.633 11.012 1.00 0.15 C HETATM 2105 C42 G A 4 -3.892 -17.132 10.692 1.00 0.02 C HETATM 2106 C43 G A 4 -5.281 -17.459 10.195 1.00 -0.05 C HETATM 2107 C44 G A 4 -6.357 -17.522 11.095 1.00 -0.07 C HETATM 2108 C45 G A 4 -7.649 -17.833 10.634 1.00 -0.04 C HETATM 2109 C46 G A 4 -7.871 -18.086 9.269 1.00 0.08 C HETATM 2110 C47 G A 4 -6.792 -18.023 8.371 1.00 -0.04 C HETATM 2111 C48 G A 4 -5.502 -17.714 8.835 1.00 -0.07 C HETATM 2112 H46 G A 4 -4.673 -17.673 8.137 1.00 0.05 H HETATM 2113 H45 G A 4 -6.955 -18.213 7.316 1.00 0.05 H HETATM 2114 O49 G A 4 -9.127 -18.385 8.825 1.00 -0.34 O HETATM 2115 H47 G A 4 -9.730 -18.385 9.559 1.00 0.25 H HETATM 2116 H44 G A 4 -8.476 -17.878 11.333 1.00 0.05 H HETATM 2117 H43 G A 4 -6.191 -17.330 12.149 1.00 0.05 H HETATM 2118 H41 G A 4 -3.693 -17.713 11.604 1.00 0.05 H HETATM 2119 H42 G A 4 -3.162 -17.406 9.916 1.00 0.05 H HETATM 2120 N50 G A 4 -3.908 -14.657 9.936 1.00 -0.26 N HETATM 2121 C51 G A 4 -3.445 -14.729 8.677 1.00 0.20 C HETATM 2122 O52 G A 4 -2.825 -15.679 8.221 1.00 -0.39 O HETATM 2123 C53 G A 4 -3.660 -13.519 7.800 1.00 0.13 C HETATM 2124 N55 G A 4 -2.295 -13.001 7.611 1.00 -0.27 N HETATM 2125 C56 G A 4 -1.568 -12.169 8.406 1.00 0.18 C HETATM 2126 O57 G A 4 -0.435 -11.869 8.057 1.00 -0.40 O HETATM 2127 C58 G A 4 -2.117 -11.551 9.692 1.00 0.04 C HETATM 2128 C59 G A 4 -1.250 -11.006 10.823 1.00 -0.01 C HETATM 2129 H53 G A 4 -0.222 -10.879 10.454 1.00 0.03 H HETATM 2130 H54 G A 4 -1.649 -10.031 11.139 1.00 0.03 H HETATM 2131 H51 G A 4 -2.747 -12.328 10.149 1.00 0.05 H HETATM 2132 H52 G A 4 -2.748 -10.710 9.371 1.00 0.05 H HETATM 2133 H50 G A 4 -1.835 -13.305 6.777 1.00 0.19 H HETATM 2134 C60 G A 4 -4.399 -13.860 6.491 1.00 -0.01 C HETATM 2135 C61 G A 4 -4.299 -12.730 5.451 1.00 -0.06 C HETATM 2136 H56 G A 4 -4.840 -13.022 4.539 1.00 0.02 H HETATM 2137 H57 G A 4 -3.242 -12.548 5.207 1.00 0.02 H HETATM 2138 H58 G A 4 -4.743 -11.812 5.863 1.00 0.02 H HETATM 2139 C62 G A 4 -5.857 -14.294 6.755 1.00 -0.06 C HETATM 2140 H59 G A 4 -5.870 -15.101 7.503 1.00 0.02 H HETATM 2141 H60 G A 4 -6.307 -14.655 5.819 1.00 0.02 H HETATM 2142 H61 G A 4 -6.433 -13.436 7.132 1.00 0.02 H HETATM 2143 H55 G A 4 -3.885 -14.730 6.057 1.00 0.03 H HETATM 2144 H49 G A 4 -4.263 -12.772 8.337 1.00 0.08 H HETATM 2145 H48 G A 4 -4.430 -13.835 10.165 1.00 0.19 H HETATM 2146 H27 G A 4 -4.518 -15.414 11.760 1.00 0.08 H HETATM 2147 O39 G A 4 -1.932 -15.960 12.555 1.00 -0.37 O HETATM 2148 H25 G A 4 -0.448 -13.827 12.731 1.00 0.06 H HETATM 2149 H26 G A 4 0.224 -13.272 11.160 1.00 0.06 H HETATM 2150 H24 G A 4 -0.509 -11.497 12.729 1.00 0.06 H HETATM 2151 H40 G A 4 -3.335 -12.189 12.236 1.00 0.19 H HETATM 2152 C28 G A 4 -4.398 -10.545 15.468 1.00 -0.01 C HETATM 2153 C30 G A 4 -5.825 -10.607 16.023 1.00 -0.06 C HETATM 2154 H21 G A 4 -6.047 -9.678 16.568 1.00 0.02 H HETATM 2155 H22 G A 4 -5.915 -11.464 16.707 1.00 0.02 H HETATM 2156 H23 G A 4 -6.537 -10.724 15.193 1.00 0.02 H HETATM 2157 C29 G A 4 -4.230 -9.220 14.703 1.00 -0.06 C HETATM 2158 H37 G A 4 -4.522 -8.382 15.353 1.00 0.02 H HETATM 2159 H38 G A 4 -4.869 -9.230 13.807 1.00 0.02 H HETATM 2160 H39 G A 4 -3.179 -9.101 14.402 1.00 0.02 H HETATM 2161 H36 G A 4 -3.712 -10.502 16.326 1.00 0.03 H HETATM 2162 H35 G A 4 -4.757 -11.964 13.879 1.00 0.08 H HETATM 2163 H34 G A 4 -3.759 -12.862 16.526 1.00 0.19 H HETATM 2164 H31 G A 4 -5.548 -15.913 15.954 1.00 0.08 H HETATM 2165 H30 G A 4 -2.662 -15.946 15.461 1.00 0.19 H HETATM 2166 H28 G A 4 -2.718 -19.455 15.001 1.00 0.06 H HETATM 2167 H29 G A 4 -1.775 -17.940 14.793 1.00 0.06 H HETATM 2168 H15 G A 4 -2.045 -18.639 17.717 1.00 0.05 H HETATM 2169 H14 G A 4 0.171 -19.593 17.544 1.00 0.05 H HETATM 2170 H12 G A 4 -0.444 -20.351 14.744 1.00 0.04 H HETATM 2171 H13 G A 4 0.256 -18.696 14.716 1.00 0.04 H HETATM 2172 H10 G A 4 2.227 -19.522 15.989 1.00 0.03 H HETATM 2173 H11 G A 4 1.532 -21.178 15.974 1.00 0.03 H HETATM 2174 H8 G A 4 1.536 -21.117 13.473 1.00 0.03 H HETATM 2175 H9 G A 4 2.329 -19.507 13.540 1.00 0.03 H HETATM 2176 H6 G A 4 4.247 -20.503 14.750 1.00 0.03 H HETATM 2177 H7 G A 4 3.455 -22.113 14.678 1.00 0.03 H HETATM 2178 H4 G A 4 3.516 -22.062 12.222 1.00 0.03 H HETATM 2179 H5 G A 4 4.233 -20.416 12.256 1.00 0.03 H HETATM 2180 H1 G A 4 5.955 -22.138 11.871 1.00 0.02 H HETATM 2181 H2 G A 4 5.493 -22.948 13.406 1.00 0.02 H HETATM 2182 H3 G A 4 6.211 -21.302 13.440 1.00 0.02 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 216 215 583 CONECT 525 524 897 CONECT 583 216 582 CONECT 897 525 896 CONECT 1461 1460 1947 CONECT 1947 1461 1946 CONECT 2065 2066 2180 2181 2182 CONECT 2066 2065 2067 2178 2179 CONECT 2067 2066 2068 2176 2177 CONECT 2068 2067 2069 2174 2175 CONECT 2069 2068 2070 2172 2173 CONECT 2070 2069 2071 2170 2171 CONECT 2071 2070 2072 2169 CONECT 2072 2071 2073 2168 CONECT 2073 2072 2074 2166 2167 CONECT 2074 2073 2075 2076 CONECT 2075 2074 CONECT 2076 2074 2077 2165 CONECT 2077 2076 2078 2093 2164 CONECT 2078 2077 2079 2091 2092 CONECT 2079 2078 2080 2084 CONECT 2080 2079 2081 2090 CONECT 2081 2080 2082 2089 CONECT 2082 2081 2083 2087 CONECT 2083 2082 2084 2086 CONECT 2084 2079 2083 2085 CONECT 2085 2084 CONECT 2086 2083 CONECT 2087 2082 2088 CONECT 2088 2087 CONECT 2089 2081 CONECT 2090 2080 CONECT 2091 2078 CONECT 2092 2078 CONECT 2093 2077 2094 2095 CONECT 2094 2093 CONECT 2095 2093 2096 2163 CONECT 2096 2095 2097 2152 2162 CONECT 2097 2096 2098 2099 CONECT 2098 2097 CONECT 2099 2097 2100 2151 CONECT 2100 2099 2101 2128 2150 CONECT 2101 2100 2102 2148 2149 CONECT 2102 2101 2103 CONECT 2103 2102 2104 2147 CONECT 2104 2103 2105 2120 2146 CONECT 2105 2104 2106 2118 2119 CONECT 2106 2105 2107 2111 CONECT 2107 2106 2108 2117 CONECT 2108 2107 2109 2116 CONECT 2109 2108 2110 2114 CONECT 2110 2109 2111 2113 CONECT 2111 2106 2110 2112 CONECT 2112 2111 CONECT 2113 2110 CONECT 2114 2109 2115 CONECT 2115 2114 CONECT 2116 2108 CONECT 2117 2107 CONECT 2118 2105 CONECT 2119 2105 CONECT 2120 2104 2121 2145 CONECT 2121 2120 2122 2123 CONECT 2122 2121 CONECT 2123 2121 2124 2134 2144 CONECT 2124 2123 2125 2133 CONECT 2125 2124 2126 2127 CONECT 2126 2125 CONECT 2127 2125 2128 2131 2132 CONECT 2128 2100 2127 2129 2130 CONECT 2129 2128 CONECT 2130 2128 CONECT 2131 2127 CONECT 2132 2127 CONECT 2133 2124 CONECT 2134 2123 2135 2139 2143 CONECT 2135 2134 2136 2137 2138 CONECT 2136 2135 CONECT 2137 2135 CONECT 2138 2135 CONECT 2139 2134 2140 2141 2142 CONECT 2140 2139 CONECT 2141 2139 CONECT 2142 2139 CONECT 2143 2134 CONECT 2144 2123 CONECT 2145 2120 CONECT 2146 2104 CONECT 2147 2103 CONECT 2148 2101 CONECT 2149 2101 CONECT 2150 2100 CONECT 2151 2099 CONECT 2152 2096 2153 2157 2161 CONECT 2153 2152 2154 2155 2156 CONECT 2154 2153 CONECT 2155 2153 CONECT 2156 2153 CONECT 2157 2152 2158 2159 2160 CONECT 2158 2157 CONECT 2159 2157 CONECT 2160 2157 CONECT 2161 2152 CONECT 2162 2096 CONECT 2163 2095 CONECT 2164 2077 CONECT 2165 2076 CONECT 2166 2073 CONECT 2167 2073 CONECT 2168 2072 CONECT 2169 2071 CONECT 2170 2070 CONECT 2171 2070 CONECT 2172 2069 CONECT 2173 2069 CONECT 2174 2068 CONECT 2175 2068 CONECT 2176 2067 CONECT 2177 2067 CONECT 2178 2066 CONECT 2179 2066 CONECT 2180 2065 CONECT 2181 2065 CONECT 2182 2065 MASTER 0 0 0 0 0 0 0 0 2181 1 128 17 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6hgy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1au0
RCSB PDB
PDBbind
215aa, >1AU0_1|Chain... at 100%
1au2
RCSB PDB
PDBbind
215aa, >1AU2_1|Chain... at 100%
1ayu
RCSB PDB
PDBbind
215aa, >1AYU_1|Chain... at 100%
1ayv
RCSB PDB
PDBbind
215aa, >1AYV_1|Chain... at 100%
1bgo
RCSB PDB
PDBbind
215aa, >1BGO_1|Chain... at 100%
1mem
RCSB PDB
PDBbind
215aa, >1MEM_1|Chain... at 100%
1nl6
RCSB PDB
PDBbind
215aa, >1NL6_1|Chains... at 100%
1nlj
RCSB PDB
PDBbind
215aa, >1NLJ_1|Chains... at 100%
1q6k
RCSB PDB
PDBbind
215aa, >1Q6K_1|Chain... at 100%
1snk
RCSB PDB
PDBbind
214aa, >1SNK_1|Chain... at 100%
1tu6
RCSB PDB
PDBbind
215aa, >1TU6_1|Chains... at 100%
1u9v
RCSB PDB
PDBbind
217aa, >1U9V_1|Chain... *
1u9w
RCSB PDB
PDBbind
217aa, >1U9W_1|Chain... at 100%
1u9x
RCSB PDB
PDBbind
217aa, >1U9X_1|Chain... at 100%
1vsn
RCSB PDB
PDBbind
215aa, >1VSN_1|Chain... at 93%
1yk7
RCSB PDB
PDBbind
215aa, >1YK7_1|Chain... at 100%
1yt7
RCSB PDB
PDBbind
215aa, >1YT7_1|Chain... at 100%
2aux
RCSB PDB
PDBbind
215aa, >2AUX_1|Chain... at 100%
2auz
RCSB PDB
PDBbind
215aa, >2AUZ_1|Chain... at 100%
2bdl
RCSB PDB
PDBbind
215aa, >2BDL_1|Chain... at 100%
2ftd
RCSB PDB
PDBbind
215aa, >2FTD_1|Chains... at 100%
2r6n
RCSB PDB
PDBbind
217aa, >2R6N_1|Chain... at 100%
3c9e
RCSB PDB
PDBbind
215aa, >3C9E_1|Chain... at 100%
3kw9
RCSB PDB
PDBbind
215aa, >3KW9_1|Chain... at 100%
3kwb
RCSB PDB
PDBbind
215aa, >3KWB_1|Chains... at 100%
3kwz
RCSB PDB
PDBbind
215aa, >3KWZ_1|Chain... at 100%
3kx1
RCSB PDB
PDBbind
215aa, >3KX1_1|Chain... at 100%
3o0u
RCSB PDB
PDBbind
215aa, >3O0U_1|Chain... at 100%
3o1g
RCSB PDB
PDBbind
215aa, >3O1G_1|Chain... at 100%
3ovz
RCSB PDB
PDBbind
213aa, >3OVZ_1|Chain... at 100%
4dmy
RCSB PDB
PDBbind
215aa, >4DMY_1|Chains... at 100%
4x6h
RCSB PDB
PDBbind
215aa, >4X6H_1|Chain... at 100%
4x6i
RCSB PDB
PDBbind
215aa, >4X6I_1|Chain... at 100%
4x6j
RCSB PDB
PDBbind
215aa, >4X6J_1|Chain... at 100%
4yv8
RCSB PDB
PDBbind
215aa, >4YV8_1|Chain... at 100%
5tdi
RCSB PDB
PDBbind
215aa, >5TDI_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6hgy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cathepsin K
Ligand Name
G4B
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
IC50=3nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Org.Lett. Vol. 21: pp. 508-512
Ligand Properties
Formula
C
4
3
H
6
1
N
5
O
9
Molecular Weight
791.973
Exact Mass
791.447
No. of atoms
118
No. of bonds
120
Polar Surface Area
212.26
LOGP Value
6.52 (
Computed with XLOGP3
)
5.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
CCCCCC/C=C\CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OC1)Cc1ccc(cc1)O)C(C)C)Cc1ccc(cc1)O
InChI String
InChI=1S/C43H61N5O9/c1-6-7-8-9-10-11-12-13-36(51)45-34(24-29-14-19-32(49)20-15-29)40(53)48-39(28(4)5)41(54)44-31-18-23-37(52)47-38(27(2)3)42(55)46-35(43(56)57-26-31)25-30-16-21-33(50)22-17-30/h11-12,14-17,19-22,27-28,31,34-35,38-39,49-50H,6-10,13,18,23-26H2,1-5H3,(H,44,54)(H,45,51)(H,46,55)(H,47,52)(H,48,53)/b12-11-/t31-,34+,35+,38+,39+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P43235
Entrez Gene ID
NCBI Entrez Gene ID:
1513
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓