USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -1.85 K(o=-1.2,f=-3.7!) USER MOD Set 1.2: A 48 SER OG : rot 54:sc= 0.643 USER MOD Set 2.1: A 38 SER OG : rot 126:sc= 1.54 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0.702 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -152:sc= 0.271 (180deg=0.118) USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0283 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 1.17 USER MOD Single : A 5 SER OG : rot 32:sc= 0.881 USER MOD Single : A 6 SER OG : rot 76:sc= 0.0517 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0397 (180deg=-0.338) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= -2.12! (180deg=-7.74!) USER MOD Single : A 11 SER OG : rot 33:sc= 0.497 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.58! C(o=-3.8!,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0668 (180deg=-0.359) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.667 USER MOD Single : A 42 ASN : amide:sc= -1.86! C(o=-1.9!,f=-2.2!) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0114 (180deg=-0.158) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= -0.149 (180deg=-0.754) USER MOD Single : A 55 SER OG : rot 180:sc= -0.21 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0995 F(o=-0.94,f=-0.099) USER MOD Single : A 66 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc=-0.00442 (180deg=-0.178) USER MOD Single : A 72 THR OG1 : rot -169:sc= -0.931 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.613 K(o=-0.61,f=-3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.77! C(o=-5.8!,f=-7.6!) USER MOD Single : A 92 SER OG : rot 82:sc= 1.28 USER MOD Single : A 96 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.4!) USER MOD Single : A 102 SER OG : rot -32:sc= 0.0578 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.17! C(o=-1.2!,f=-1.2!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0477 K(o=-0.048,f=-2.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.308 -13.888 18.466 1.00 0.00 N ATOM 2 CA GLY A 1 0.205 -12.849 19.474 1.00 0.00 C ATOM 3 C GLY A 1 1.136 -11.684 19.204 1.00 0.00 C ATOM 4 O GLY A 1 1.433 -11.372 18.051 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.645 -14.161 18.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.853 -13.532 17.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.790 -14.717 18.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.822 -12.487 19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.432 -13.273 20.452 1.00 0.00 H new ATOM 8 N SER A 2 1.597 -11.037 20.270 1.00 0.00 N ATOM 9 CA SER A 2 2.496 -9.896 20.142 1.00 0.00 C ATOM 10 C SER A 2 1.952 -8.885 19.138 1.00 0.00 C ATOM 11 O SER A 2 2.696 -8.343 18.321 1.00 0.00 O ATOM 12 CB SER A 2 3.888 -10.363 19.710 1.00 0.00 C ATOM 13 OG SER A 2 4.687 -10.691 20.834 1.00 0.00 O ATOM 0 H SER A 2 1.363 -11.284 21.232 1.00 0.00 H new ATOM 0 HA SER A 2 2.569 -9.411 21.116 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.798 -11.232 19.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.375 -9.579 19.130 1.00 0.00 H new ATOM 0 HG SER A 2 5.571 -10.988 20.532 1.00 0.00 H new ATOM 19 N SER A 3 0.648 -8.637 19.205 1.00 0.00 N ATOM 20 CA SER A 3 0.001 -7.694 18.300 1.00 0.00 C ATOM 21 C SER A 3 -0.106 -6.313 18.940 1.00 0.00 C ATOM 22 O SER A 3 -1.068 -6.018 19.648 1.00 0.00 O ATOM 23 CB SER A 3 -1.390 -8.199 17.913 1.00 0.00 C ATOM 24 OG SER A 3 -2.248 -8.245 19.040 1.00 0.00 O ATOM 0 H SER A 3 0.018 -9.076 19.877 1.00 0.00 H new ATOM 0 HA SER A 3 0.613 -7.612 17.402 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.819 -7.546 17.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.310 -9.193 17.472 1.00 0.00 H new ATOM 0 HG SER A 3 -2.192 -7.397 19.528 1.00 0.00 H new ATOM 30 N GLY A 4 0.890 -5.470 18.684 1.00 0.00 N ATOM 31 CA GLY A 4 0.889 -4.131 19.241 1.00 0.00 C ATOM 32 C GLY A 4 1.231 -3.073 18.210 1.00 0.00 C ATOM 33 O GLY A 4 2.362 -3.009 17.728 1.00 0.00 O ATOM 0 H GLY A 4 1.697 -5.691 18.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.093 -3.918 19.664 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.607 -4.081 20.060 1.00 0.00 H new ATOM 37 N SER A 5 0.251 -2.243 17.869 1.00 0.00 N ATOM 38 CA SER A 5 0.452 -1.187 16.884 1.00 0.00 C ATOM 39 C SER A 5 1.678 -0.348 17.229 1.00 0.00 C ATOM 40 O SER A 5 1.649 0.460 18.159 1.00 0.00 O ATOM 41 CB SER A 5 -0.787 -0.293 16.804 1.00 0.00 C ATOM 42 OG SER A 5 -1.036 0.345 18.044 1.00 0.00 O ATOM 0 H SER A 5 -0.690 -2.281 18.260 1.00 0.00 H new ATOM 0 HA SER A 5 0.616 -1.656 15.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.648 0.458 16.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.653 -0.891 16.519 1.00 0.00 H new ATOM 0 HG SER A 5 -0.186 0.509 18.504 1.00 0.00 H new ATOM 48 N SER A 6 2.754 -0.544 16.475 1.00 0.00 N ATOM 49 CA SER A 6 3.992 0.191 16.703 1.00 0.00 C ATOM 50 C SER A 6 4.755 0.389 15.396 1.00 0.00 C ATOM 51 O SER A 6 5.283 -0.562 14.822 1.00 0.00 O ATOM 52 CB SER A 6 4.872 -0.550 17.712 1.00 0.00 C ATOM 53 OG SER A 6 4.197 -0.722 18.946 1.00 0.00 O ATOM 0 H SER A 6 2.794 -1.206 15.700 1.00 0.00 H new ATOM 0 HA SER A 6 3.735 1.170 17.106 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.153 -1.523 17.309 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.795 0.007 17.873 1.00 0.00 H new ATOM 0 HG SER A 6 3.530 -1.434 18.857 1.00 0.00 H new ATOM 59 N GLY A 7 4.808 1.634 14.932 1.00 0.00 N ATOM 60 CA GLY A 7 5.507 1.936 13.697 1.00 0.00 C ATOM 61 C GLY A 7 4.560 2.208 12.546 1.00 0.00 C ATOM 62 O GLY A 7 3.905 1.296 12.041 1.00 0.00 O ATOM 0 H GLY A 7 4.379 2.439 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.148 2.805 13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.158 1.101 13.438 1.00 0.00 H new ATOM 66 N LYS A 8 4.483 3.468 12.130 1.00 0.00 N ATOM 67 CA LYS A 8 3.608 3.860 11.031 1.00 0.00 C ATOM 68 C LYS A 8 4.299 3.656 9.686 1.00 0.00 C ATOM 69 O LYS A 8 3.763 4.022 8.640 1.00 0.00 O ATOM 70 CB LYS A 8 3.187 5.323 11.184 1.00 0.00 C ATOM 71 CG LYS A 8 2.911 5.730 12.621 1.00 0.00 C ATOM 72 CD LYS A 8 1.479 5.419 13.023 1.00 0.00 C ATOM 73 CE LYS A 8 1.141 6.011 14.382 1.00 0.00 C ATOM 74 NZ LYS A 8 1.178 7.500 14.363 1.00 0.00 N ATOM 0 H LYS A 8 5.017 4.236 12.538 1.00 0.00 H new ATOM 0 HA LYS A 8 2.720 3.228 11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.971 5.962 10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.292 5.499 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.598 5.208 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.100 6.797 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.795 5.815 12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.334 4.339 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.150 5.676 14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.846 5.640 15.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.661 7.871 15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.166 7.823 14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.733 7.847 13.489 1.00 0.00 H new ATOM 88 N VAL A 9 5.491 3.069 9.721 1.00 0.00 N ATOM 89 CA VAL A 9 6.254 2.814 8.505 1.00 0.00 C ATOM 90 C VAL A 9 6.827 1.402 8.502 1.00 0.00 C ATOM 91 O VAL A 9 6.820 0.714 9.523 1.00 0.00 O ATOM 92 CB VAL A 9 7.406 3.824 8.343 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.876 5.249 8.387 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.461 3.605 9.417 1.00 0.00 C ATOM 0 H VAL A 9 5.949 2.761 10.579 1.00 0.00 H new ATOM 0 HA VAL A 9 5.563 2.925 7.669 1.00 0.00 H new ATOM 0 HB VAL A 9 7.872 3.665 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.704 5.949 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.160 5.396 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.384 5.425 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.267 4.327 9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.011 3.736 10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.862 2.595 9.333 1.00 0.00 H new ATOM 104 N LYS A 10 7.323 0.973 7.346 1.00 0.00 N ATOM 105 CA LYS A 10 7.903 -0.357 7.208 1.00 0.00 C ATOM 106 C LYS A 10 8.719 -0.465 5.924 1.00 0.00 C ATOM 107 O LYS A 10 8.316 0.042 4.877 1.00 0.00 O ATOM 108 CB LYS A 10 6.801 -1.419 7.214 1.00 0.00 C ATOM 109 CG LYS A 10 7.306 -2.818 7.524 1.00 0.00 C ATOM 110 CD LYS A 10 6.163 -3.760 7.867 1.00 0.00 C ATOM 111 CE LYS A 10 6.673 -5.147 8.224 1.00 0.00 C ATOM 112 NZ LYS A 10 7.022 -5.255 9.668 1.00 0.00 N ATOM 0 H LYS A 10 7.335 1.528 6.490 1.00 0.00 H new ATOM 0 HA LYS A 10 8.568 -0.525 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.046 -1.143 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.310 -1.426 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.854 -3.207 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.007 -2.776 8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.594 -3.354 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.480 -3.829 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.913 -5.888 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.550 -5.378 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.039 -5.450 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.793 -4.361 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.478 -6.029 10.100 1.00 0.00 H new ATOM 126 N SER A 11 9.867 -1.128 6.011 1.00 0.00 N ATOM 127 CA SER A 11 10.741 -1.300 4.857 1.00 0.00 C ATOM 128 C SER A 11 11.554 -2.585 4.977 1.00 0.00 C ATOM 129 O SER A 11 12.321 -2.762 5.922 1.00 0.00 O ATOM 130 CB SER A 11 11.681 -0.100 4.719 1.00 0.00 C ATOM 131 OG SER A 11 12.539 0.007 5.841 1.00 0.00 O ATOM 0 H SER A 11 10.214 -1.555 6.870 1.00 0.00 H new ATOM 0 HA SER A 11 10.116 -1.368 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.275 -0.202 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.096 0.814 4.616 1.00 0.00 H new ATOM 0 HG SER A 11 12.745 -0.888 6.182 1.00 0.00 H new ATOM 137 N GLY A 12 11.379 -3.482 4.010 1.00 0.00 N ATOM 138 CA GLY A 12 12.102 -4.740 4.025 1.00 0.00 C ATOM 139 C GLY A 12 12.218 -5.359 2.647 1.00 0.00 C ATOM 140 O GLY A 12 11.558 -4.919 1.705 1.00 0.00 O ATOM 0 H GLY A 12 10.749 -3.359 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.100 -4.577 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.596 -5.438 4.692 1.00 0.00 H new ATOM 144 N TRP A 13 13.058 -6.380 2.527 1.00 0.00 N ATOM 145 CA TRP A 13 13.259 -7.059 1.252 1.00 0.00 C ATOM 146 C TRP A 13 12.036 -7.889 0.879 1.00 0.00 C ATOM 147 O TRP A 13 11.751 -8.910 1.507 1.00 0.00 O ATOM 148 CB TRP A 13 14.498 -7.954 1.317 1.00 0.00 C ATOM 149 CG TRP A 13 15.784 -7.201 1.162 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.661 -6.863 2.153 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.336 -6.690 -0.056 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.725 -6.174 1.625 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.550 -6.055 0.271 1.00 0.00 C ATOM 154 CE3 TRP A 13 15.925 -6.709 -1.391 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.353 -5.445 -0.689 1.00 0.00 C ATOM 156 CZ3 TRP A 13 16.723 -6.103 -2.343 1.00 0.00 C ATOM 157 CH2 TRP A 13 17.926 -5.478 -1.988 1.00 0.00 C ATOM 0 H TRP A 13 13.611 -6.756 3.297 1.00 0.00 H new ATOM 0 HA TRP A 13 13.408 -6.300 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.507 -8.481 2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.432 -8.711 0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.536 -7.103 3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.517 -5.810 2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.000 -7.189 -1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.280 -4.963 -0.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.414 -6.111 -3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.528 -5.013 -2.755 1.00 0.00 H new ATOM 168 N LEU A 14 11.316 -7.446 -0.146 1.00 0.00 N ATOM 169 CA LEU A 14 10.122 -8.149 -0.603 1.00 0.00 C ATOM 170 C LEU A 14 10.338 -8.741 -1.993 1.00 0.00 C ATOM 171 O LEU A 14 11.276 -8.370 -2.698 1.00 0.00 O ATOM 172 CB LEU A 14 8.923 -7.200 -0.621 1.00 0.00 C ATOM 173 CG LEU A 14 8.464 -6.674 0.739 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.300 -5.709 0.573 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.077 -7.826 1.655 1.00 0.00 C ATOM 0 H LEU A 14 11.538 -6.603 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 14 9.921 -8.964 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.169 -6.347 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.085 -7.714 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 14 9.294 -6.136 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.987 -5.345 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.611 -4.867 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.467 -6.223 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.753 -7.432 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.263 -8.393 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.937 -8.479 1.801 1.00 0.00 H new ATOM 187 N ASP A 15 9.461 -9.661 -2.381 1.00 0.00 N ATOM 188 CA ASP A 15 9.553 -10.301 -3.687 1.00 0.00 C ATOM 189 C ASP A 15 8.445 -9.809 -4.613 1.00 0.00 C ATOM 190 O ASP A 15 7.265 -10.073 -4.383 1.00 0.00 O ATOM 191 CB ASP A 15 9.473 -11.822 -3.540 1.00 0.00 C ATOM 192 CG ASP A 15 10.013 -12.550 -4.755 1.00 0.00 C ATOM 193 OD1 ASP A 15 9.815 -12.051 -5.882 1.00 0.00 O ATOM 194 OD2 ASP A 15 10.634 -13.620 -4.579 1.00 0.00 O ATOM 0 H ASP A 15 8.679 -9.980 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 15 10.514 -10.036 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.034 -12.129 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.436 -12.114 -3.376 1.00 0.00 H new ATOM 199 N LYS A 16 8.833 -9.090 -5.661 1.00 0.00 N ATOM 200 CA LYS A 16 7.874 -8.559 -6.623 1.00 0.00 C ATOM 201 C LYS A 16 7.544 -9.597 -7.691 1.00 0.00 C ATOM 202 O LYS A 16 8.284 -9.762 -8.661 1.00 0.00 O ATOM 203 CB LYS A 16 8.428 -7.293 -7.281 1.00 0.00 C ATOM 204 CG LYS A 16 7.367 -6.451 -7.968 1.00 0.00 C ATOM 205 CD LYS A 16 6.523 -5.688 -6.961 1.00 0.00 C ATOM 206 CE LYS A 16 5.316 -5.041 -7.623 1.00 0.00 C ATOM 207 NZ LYS A 16 5.690 -3.813 -8.378 1.00 0.00 N ATOM 0 H LYS A 16 9.806 -8.861 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 16 6.958 -8.311 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.926 -6.688 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.186 -7.575 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.845 -5.748 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.725 -7.094 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.189 -6.367 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.131 -4.921 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.847 -5.755 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.576 -4.789 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.879 -3.163 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.492 -3.347 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.961 -4.071 -9.348 1.00 0.00 H new ATOM 221 N LEU A 17 6.428 -10.293 -7.507 1.00 0.00 N ATOM 222 CA LEU A 17 5.998 -11.315 -8.456 1.00 0.00 C ATOM 223 C LEU A 17 5.714 -10.702 -9.823 1.00 0.00 C ATOM 224 O LEU A 17 4.558 -10.547 -10.217 1.00 0.00 O ATOM 225 CB LEU A 17 4.750 -12.030 -7.935 1.00 0.00 C ATOM 226 CG LEU A 17 4.388 -13.342 -8.632 1.00 0.00 C ATOM 227 CD1 LEU A 17 3.569 -14.229 -7.708 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.628 -13.068 -9.922 1.00 0.00 C ATOM 0 H LEU A 17 5.804 -10.169 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 17 6.805 -12.039 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.888 -12.232 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.903 -11.350 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 17 5.311 -13.866 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.321 -15.158 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.147 -14.453 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.651 -13.713 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.378 -14.013 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.712 -12.523 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.249 -12.472 -10.591 1.00 0.00 H new ATOM 240 N SER A 18 6.776 -10.359 -10.544 1.00 0.00 N ATOM 241 CA SER A 18 6.641 -9.762 -11.868 1.00 0.00 C ATOM 242 C SER A 18 6.221 -10.808 -12.896 1.00 0.00 C ATOM 243 O SER A 18 5.161 -10.717 -13.515 1.00 0.00 O ATOM 244 CB SER A 18 7.959 -9.112 -12.295 1.00 0.00 C ATOM 245 OG SER A 18 8.156 -9.229 -13.693 1.00 0.00 O ATOM 0 H SER A 18 7.740 -10.484 -10.234 1.00 0.00 H new ATOM 0 HA SER A 18 5.866 -8.997 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.958 -8.059 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.788 -9.583 -11.767 1.00 0.00 H new ATOM 0 HG SER A 18 9.004 -8.805 -13.941 1.00 0.00 H new ATOM 251 N PRO A 19 7.072 -11.828 -13.082 1.00 0.00 N ATOM 252 CA PRO A 19 6.811 -12.913 -14.033 1.00 0.00 C ATOM 253 C PRO A 19 5.671 -13.819 -13.581 1.00 0.00 C ATOM 254 O PRO A 19 5.068 -13.595 -12.532 1.00 0.00 O ATOM 255 CB PRO A 19 8.132 -13.687 -14.058 1.00 0.00 C ATOM 256 CG PRO A 19 8.763 -13.403 -12.739 1.00 0.00 C ATOM 257 CD PRO A 19 8.354 -12.001 -12.378 1.00 0.00 C ATOM 0 HA PRO A 19 6.503 -12.535 -15.008 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.962 -14.755 -14.194 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.768 -13.358 -14.880 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.427 -14.114 -11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.848 -13.490 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.240 -11.880 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.094 -11.270 -12.704 1.00 0.00 H new ATOM 265 N GLN A 20 5.382 -14.841 -14.379 1.00 0.00 N ATOM 266 CA GLN A 20 4.313 -15.781 -14.060 1.00 0.00 C ATOM 267 C GLN A 20 4.834 -17.214 -14.048 1.00 0.00 C ATOM 268 O GLN A 20 5.096 -17.799 -15.098 1.00 0.00 O ATOM 269 CB GLN A 20 3.172 -15.649 -15.070 1.00 0.00 C ATOM 270 CG GLN A 20 3.627 -15.732 -16.518 1.00 0.00 C ATOM 271 CD GLN A 20 2.598 -15.183 -17.485 1.00 0.00 C ATOM 272 OE1 GLN A 20 1.631 -15.862 -17.833 1.00 0.00 O ATOM 273 NE2 GLN A 20 2.800 -13.947 -17.927 1.00 0.00 N ATOM 0 H GLN A 20 5.872 -15.040 -15.251 1.00 0.00 H new ATOM 0 HA GLN A 20 3.938 -15.542 -13.065 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.440 -16.434 -14.883 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.666 -14.697 -14.911 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.560 -15.180 -16.634 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.838 -16.771 -16.770 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.615 -13.420 -17.613 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.140 -13.525 -18.581 1.00 0.00 H new ATOM 282 N GLY A 21 4.983 -17.774 -12.851 1.00 0.00 N ATOM 283 CA GLY A 21 5.472 -19.135 -12.724 1.00 0.00 C ATOM 284 C GLY A 21 6.965 -19.192 -12.464 1.00 0.00 C ATOM 285 O GLY A 21 7.740 -19.588 -13.335 1.00 0.00 O ATOM 0 H GLY A 21 4.774 -17.310 -11.967 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.945 -19.633 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.244 -19.687 -13.636 1.00 0.00 H new ATOM 289 N LYS A 22 7.370 -18.794 -11.263 1.00 0.00 N ATOM 290 CA LYS A 22 8.779 -18.801 -10.889 1.00 0.00 C ATOM 291 C LYS A 22 8.942 -18.652 -9.380 1.00 0.00 C ATOM 292 O LYS A 22 8.594 -17.619 -8.807 1.00 0.00 O ATOM 293 CB LYS A 22 9.524 -17.673 -11.607 1.00 0.00 C ATOM 294 CG LYS A 22 11.029 -17.870 -11.651 1.00 0.00 C ATOM 295 CD LYS A 22 11.761 -16.548 -11.811 1.00 0.00 C ATOM 296 CE LYS A 22 13.208 -16.758 -12.228 1.00 0.00 C ATOM 297 NZ LYS A 22 13.343 -16.923 -13.702 1.00 0.00 N ATOM 0 H LYS A 22 6.742 -18.462 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 22 9.204 -19.758 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.147 -17.591 -12.626 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.304 -16.729 -11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.359 -18.361 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.286 -18.532 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.252 -15.937 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.729 -15.997 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.807 -15.908 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.606 -17.640 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.344 -17.064 -13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.792 -17.749 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.987 -16.071 -14.181 1.00 0.00 H new ATOM 311 N ARG A 23 9.475 -19.688 -8.741 1.00 0.00 N ATOM 312 CA ARG A 23 9.685 -19.672 -7.299 1.00 0.00 C ATOM 313 C ARG A 23 10.093 -18.280 -6.824 1.00 0.00 C ATOM 314 O ARG A 23 9.322 -17.590 -6.158 1.00 0.00 O ATOM 315 CB ARG A 23 10.757 -20.690 -6.906 1.00 0.00 C ATOM 316 CG ARG A 23 10.614 -21.206 -5.483 1.00 0.00 C ATOM 317 CD ARG A 23 11.642 -22.283 -5.176 1.00 0.00 C ATOM 318 NE ARG A 23 11.439 -23.481 -5.986 1.00 0.00 N ATOM 319 CZ ARG A 23 11.992 -24.657 -5.710 1.00 0.00 C ATOM 320 NH1 ARG A 23 12.777 -24.792 -4.651 1.00 0.00 N ATOM 321 NH2 ARG A 23 11.760 -25.702 -6.495 1.00 0.00 N ATOM 0 H ARG A 23 9.770 -20.550 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 23 8.745 -19.941 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.715 -21.533 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.740 -20.233 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.730 -20.380 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.611 -21.607 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.643 -21.890 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.587 -22.546 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 23 10.840 -23.411 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.958 -23.992 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.200 -25.696 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.157 -25.603 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.185 -26.604 -6.282 1.00 0.00 H new ATOM 335 N MET A 24 11.309 -17.874 -7.173 1.00 0.00 N ATOM 336 CA MET A 24 11.819 -16.565 -6.784 1.00 0.00 C ATOM 337 C MET A 24 11.616 -15.548 -7.903 1.00 0.00 C ATOM 338 O MET A 24 12.565 -15.167 -8.589 1.00 0.00 O ATOM 339 CB MET A 24 13.303 -16.657 -6.426 1.00 0.00 C ATOM 340 CG MET A 24 14.094 -17.574 -7.345 1.00 0.00 C ATOM 341 SD MET A 24 15.874 -17.450 -7.085 1.00 0.00 S ATOM 342 CE MET A 24 16.435 -17.086 -8.746 1.00 0.00 C ATOM 0 H MET A 24 11.960 -18.433 -7.725 1.00 0.00 H new ATOM 0 HA MET A 24 11.262 -16.232 -5.908 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.739 -15.659 -6.459 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.400 -17.013 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.778 -18.605 -7.183 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.864 -17.329 -8.382 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.520 -16.980 -8.749 1.00 0.00 H new ATOM 0 HE2 MET A 24 16.148 -17.899 -9.413 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.979 -16.157 -9.089 1.00 0.00 H new ATOM 352 N PHE A 25 10.374 -15.111 -8.081 1.00 0.00 N ATOM 353 CA PHE A 25 10.047 -14.139 -9.118 1.00 0.00 C ATOM 354 C PHE A 25 11.178 -13.131 -9.294 1.00 0.00 C ATOM 355 O PHE A 25 11.884 -13.145 -10.302 1.00 0.00 O ATOM 356 CB PHE A 25 8.747 -13.409 -8.771 1.00 0.00 C ATOM 357 CG PHE A 25 7.762 -14.262 -8.024 1.00 0.00 C ATOM 358 CD1 PHE A 25 7.292 -15.444 -8.573 1.00 0.00 C ATOM 359 CD2 PHE A 25 7.306 -13.882 -6.772 1.00 0.00 C ATOM 360 CE1 PHE A 25 6.385 -16.230 -7.888 1.00 0.00 C ATOM 361 CE2 PHE A 25 6.400 -14.664 -6.081 1.00 0.00 C ATOM 362 CZ PHE A 25 5.939 -15.840 -6.640 1.00 0.00 C ATOM 0 H PHE A 25 9.577 -15.414 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 25 9.914 -14.677 -10.057 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.982 -12.530 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.283 -13.053 -9.691 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.638 -15.755 -9.548 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.663 -12.963 -6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.025 -17.148 -8.328 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.053 -14.356 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.231 -16.453 -6.102 1.00 0.00 H new ATOM 372 N GLN A 26 11.342 -12.256 -8.307 1.00 0.00 N ATOM 373 CA GLN A 26 12.387 -11.240 -8.354 1.00 0.00 C ATOM 374 C GLN A 26 12.643 -10.659 -6.967 1.00 0.00 C ATOM 375 O GLN A 26 11.989 -11.034 -5.994 1.00 0.00 O ATOM 376 CB GLN A 26 11.998 -10.122 -9.323 1.00 0.00 C ATOM 377 CG GLN A 26 13.190 -9.427 -9.960 1.00 0.00 C ATOM 378 CD GLN A 26 12.881 -8.888 -11.343 1.00 0.00 C ATOM 379 OE1 GLN A 26 13.648 -7.895 -11.777 1.00 0.00 O flip ATOM 380 NE2 GLN A 26 11.964 -9.360 -12.015 1.00 0.00 N flip ATOM 0 H GLN A 26 10.765 -12.230 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 26 13.304 -11.714 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.367 -10.537 -10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.399 -9.383 -8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.513 -8.607 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.022 -10.128 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.399 -10.123 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.769 -8.988 -12.945 1.00 0.00 H new ATOM 389 N LYS A 27 13.601 -9.741 -6.883 1.00 0.00 N ATOM 390 CA LYS A 27 13.944 -9.107 -5.616 1.00 0.00 C ATOM 391 C LYS A 27 14.052 -7.594 -5.776 1.00 0.00 C ATOM 392 O LYS A 27 14.670 -7.103 -6.721 1.00 0.00 O ATOM 393 CB LYS A 27 15.264 -9.669 -5.082 1.00 0.00 C ATOM 394 CG LYS A 27 15.384 -9.606 -3.569 1.00 0.00 C ATOM 395 CD LYS A 27 14.629 -10.743 -2.902 1.00 0.00 C ATOM 396 CE LYS A 27 15.418 -12.042 -2.955 1.00 0.00 C ATOM 397 NZ LYS A 27 16.640 -11.984 -2.107 1.00 0.00 N ATOM 0 H LYS A 27 14.153 -9.420 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 27 13.148 -9.324 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.364 -10.706 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.091 -9.116 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.435 -9.650 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.997 -8.652 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.422 -10.484 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.666 -10.880 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.785 -12.865 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.701 -12.253 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.961 -12.950 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.391 -11.474 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.423 -11.488 -1.219 1.00 0.00 H new ATOM 411 N ARG A 28 13.447 -6.860 -4.848 1.00 0.00 N ATOM 412 CA ARG A 28 13.475 -5.403 -4.887 1.00 0.00 C ATOM 413 C ARG A 28 13.123 -4.816 -3.523 1.00 0.00 C ATOM 414 O ARG A 28 12.135 -5.209 -2.904 1.00 0.00 O ATOM 415 CB ARG A 28 12.502 -4.881 -5.945 1.00 0.00 C ATOM 416 CG ARG A 28 13.095 -4.828 -7.344 1.00 0.00 C ATOM 417 CD ARG A 28 12.264 -3.951 -8.268 1.00 0.00 C ATOM 418 NE ARG A 28 11.167 -4.691 -8.885 1.00 0.00 N ATOM 419 CZ ARG A 28 11.337 -5.596 -9.843 1.00 0.00 C ATOM 420 NH1 ARG A 28 12.555 -5.871 -10.290 1.00 0.00 N ATOM 421 NH2 ARG A 28 10.289 -6.228 -10.354 1.00 0.00 N ATOM 0 H ARG A 28 12.931 -7.251 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 28 14.486 -5.091 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.617 -5.517 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.172 -3.882 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.114 -4.443 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.155 -5.836 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.862 -3.110 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.904 -3.536 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 28 10.218 -4.503 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.363 -5.388 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.684 -6.566 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.351 -6.020 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.421 -6.922 -11.089 1.00 0.00 H new ATOM 435 N TRP A 29 13.938 -3.874 -3.062 1.00 0.00 N ATOM 436 CA TRP A 29 13.713 -3.233 -1.772 1.00 0.00 C ATOM 437 C TRP A 29 12.406 -2.449 -1.774 1.00 0.00 C ATOM 438 O TRP A 29 12.105 -1.728 -2.726 1.00 0.00 O ATOM 439 CB TRP A 29 14.879 -2.304 -1.430 1.00 0.00 C ATOM 440 CG TRP A 29 14.670 -1.530 -0.164 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.054 -0.318 -0.037 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.080 -1.914 1.153 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.055 0.075 1.280 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.678 -0.887 2.030 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.745 -3.025 1.677 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.922 -0.942 3.400 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.987 -3.077 3.037 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.575 -2.041 3.886 1.00 0.00 C ATOM 0 H TRP A 29 14.761 -3.537 -3.562 1.00 0.00 H new ATOM 0 HA TRP A 29 13.645 -4.013 -1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.791 -2.895 -1.340 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.032 -1.606 -2.253 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.628 0.249 -0.852 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.657 0.942 1.640 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.065 -3.829 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.606 -0.144 4.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.502 -3.930 3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.777 -2.112 4.945 1.00 0.00 H new ATOM 459 N VAL A 30 11.631 -2.594 -0.703 1.00 0.00 N ATOM 460 CA VAL A 30 10.356 -1.897 -0.582 1.00 0.00 C ATOM 461 C VAL A 30 10.304 -1.064 0.694 1.00 0.00 C ATOM 462 O VAL A 30 10.846 -1.456 1.727 1.00 0.00 O ATOM 463 CB VAL A 30 9.175 -2.885 -0.585 1.00 0.00 C ATOM 464 CG1 VAL A 30 7.852 -2.136 -0.529 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.236 -3.784 -1.811 1.00 0.00 C ATOM 0 H VAL A 30 11.864 -3.188 0.093 1.00 0.00 H new ATOM 0 HA VAL A 30 10.272 -1.238 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 30 9.247 -3.514 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.029 -2.851 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.810 -1.538 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.767 -1.482 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.394 -4.476 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.189 -3.173 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.169 -4.348 -1.803 1.00 0.00 H new ATOM 475 N LYS A 31 9.649 0.089 0.614 1.00 0.00 N ATOM 476 CA LYS A 31 9.523 0.979 1.762 1.00 0.00 C ATOM 477 C LYS A 31 8.191 1.721 1.733 1.00 0.00 C ATOM 478 O LYS A 31 7.575 1.869 0.677 1.00 0.00 O ATOM 479 CB LYS A 31 10.678 1.983 1.784 1.00 0.00 C ATOM 480 CG LYS A 31 10.542 3.043 2.863 1.00 0.00 C ATOM 481 CD LYS A 31 11.630 4.097 2.749 1.00 0.00 C ATOM 482 CE LYS A 31 11.397 5.247 3.718 1.00 0.00 C ATOM 483 NZ LYS A 31 12.531 6.212 3.717 1.00 0.00 N ATOM 0 H LYS A 31 9.197 0.429 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 31 9.560 0.371 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.614 1.444 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.742 2.472 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.564 3.518 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.591 2.572 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.600 3.643 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.661 4.480 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.477 5.767 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.258 4.851 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.334 6.980 4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.404 5.722 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.648 6.609 2.763 1.00 0.00 H new ATOM 497 N PHE A 32 7.752 2.187 2.897 1.00 0.00 N ATOM 498 CA PHE A 32 6.493 2.914 3.004 1.00 0.00 C ATOM 499 C PHE A 32 6.672 4.195 3.813 1.00 0.00 C ATOM 500 O PHE A 32 7.410 4.222 4.798 1.00 0.00 O ATOM 501 CB PHE A 32 5.423 2.033 3.653 1.00 0.00 C ATOM 502 CG PHE A 32 4.058 2.660 3.669 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.498 3.160 2.504 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.336 2.748 4.847 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.243 3.738 2.516 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.079 3.324 4.865 1.00 0.00 C ATOM 507 CZ PHE A 32 1.532 3.819 3.698 1.00 0.00 C ATOM 0 H PHE A 32 8.250 2.074 3.780 1.00 0.00 H new ATOM 0 HA PHE A 32 6.171 3.182 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.372 1.084 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.722 1.807 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.048 3.097 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.759 2.362 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.818 4.126 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.526 3.387 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.550 4.269 3.709 1.00 0.00 H new ATOM 517 N ASP A 33 5.991 5.255 3.390 1.00 0.00 N ATOM 518 CA ASP A 33 6.073 6.540 4.075 1.00 0.00 C ATOM 519 C ASP A 33 4.725 6.923 4.676 1.00 0.00 C ATOM 520 O ASP A 33 4.649 7.389 5.812 1.00 0.00 O ATOM 521 CB ASP A 33 6.543 7.628 3.108 1.00 0.00 C ATOM 522 CG ASP A 33 8.054 7.733 3.044 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.714 7.433 4.061 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.577 8.114 1.976 1.00 0.00 O ATOM 0 H ASP A 33 5.376 5.250 2.576 1.00 0.00 H new ATOM 0 HA ASP A 33 6.797 6.447 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.154 7.417 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.128 8.588 3.416 1.00 0.00 H new ATOM 529 N GLY A 34 3.660 6.725 3.903 1.00 0.00 N ATOM 530 CA GLY A 34 2.329 7.056 4.376 1.00 0.00 C ATOM 531 C GLY A 34 1.420 7.533 3.260 1.00 0.00 C ATOM 532 O GLY A 34 0.214 7.690 3.456 1.00 0.00 O ATOM 0 H GLY A 34 3.696 6.342 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.887 6.180 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.400 7.831 5.139 1.00 0.00 H new ATOM 536 N LEU A 35 1.998 7.766 2.087 1.00 0.00 N ATOM 537 CA LEU A 35 1.232 8.230 0.935 1.00 0.00 C ATOM 538 C LEU A 35 1.337 7.242 -0.222 1.00 0.00 C ATOM 539 O LEU A 35 0.356 6.978 -0.917 1.00 0.00 O ATOM 540 CB LEU A 35 1.726 9.608 0.491 1.00 0.00 C ATOM 541 CG LEU A 35 1.234 10.796 1.318 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.169 11.984 1.155 1.00 0.00 C ATOM 543 CD2 LEU A 35 -0.185 11.173 0.918 1.00 0.00 C ATOM 0 H LEU A 35 2.994 7.641 1.908 1.00 0.00 H new ATOM 0 HA LEU A 35 0.186 8.304 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.816 9.604 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.425 9.763 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 35 1.229 10.505 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.803 12.820 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.169 11.709 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.207 12.276 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.519 12.020 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.206 11.444 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.848 10.325 1.088 1.00 0.00 H new ATOM 555 N SER A 36 2.533 6.696 -0.421 1.00 0.00 N ATOM 556 CA SER A 36 2.767 5.738 -1.495 1.00 0.00 C ATOM 557 C SER A 36 3.922 4.805 -1.148 1.00 0.00 C ATOM 558 O SER A 36 4.751 5.116 -0.292 1.00 0.00 O ATOM 559 CB SER A 36 3.063 6.471 -2.805 1.00 0.00 C ATOM 560 OG SER A 36 2.003 7.344 -3.153 1.00 0.00 O ATOM 0 H SER A 36 3.355 6.901 0.148 1.00 0.00 H new ATOM 0 HA SER A 36 1.864 5.139 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.988 7.039 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.218 5.746 -3.604 1.00 0.00 H new ATOM 0 HG SER A 36 2.218 7.801 -3.993 1.00 0.00 H new ATOM 566 N ILE A 37 3.971 3.659 -1.819 1.00 0.00 N ATOM 567 CA ILE A 37 5.025 2.680 -1.583 1.00 0.00 C ATOM 568 C ILE A 37 6.130 2.800 -2.627 1.00 0.00 C ATOM 569 O ILE A 37 5.895 2.607 -3.820 1.00 0.00 O ATOM 570 CB ILE A 37 4.472 1.243 -1.600 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.331 1.100 -0.591 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.581 0.245 -1.298 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.308 0.055 -0.979 1.00 0.00 C ATOM 0 H ILE A 37 3.293 3.386 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 37 5.437 2.891 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 37 4.081 1.032 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.748 0.844 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.831 2.062 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.175 -0.766 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.364 0.333 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.999 0.453 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.529 0.008 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.863 0.320 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.794 -0.917 -1.061 1.00 0.00 H new ATOM 585 N SER A 38 7.337 3.118 -2.170 1.00 0.00 N ATOM 586 CA SER A 38 8.479 3.266 -3.064 1.00 0.00 C ATOM 587 C SER A 38 9.422 2.073 -2.942 1.00 0.00 C ATOM 588 O SER A 38 9.995 1.826 -1.881 1.00 0.00 O ATOM 589 CB SER A 38 9.233 4.560 -2.754 1.00 0.00 C ATOM 590 OG SER A 38 10.195 4.358 -1.733 1.00 0.00 O ATOM 0 H SER A 38 7.549 3.278 -1.185 1.00 0.00 H new ATOM 0 HA SER A 38 8.105 3.309 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.726 4.922 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.527 5.331 -2.445 1.00 0.00 H new ATOM 0 HG SER A 38 11.073 4.662 -2.045 1.00 0.00 H new ATOM 596 N TYR A 39 9.577 1.336 -4.036 1.00 0.00 N ATOM 597 CA TYR A 39 10.448 0.166 -4.053 1.00 0.00 C ATOM 598 C TYR A 39 11.522 0.302 -5.129 1.00 0.00 C ATOM 599 O TYR A 39 11.227 0.628 -6.279 1.00 0.00 O ATOM 600 CB TYR A 39 9.629 -1.103 -4.292 1.00 0.00 C ATOM 601 CG TYR A 39 9.008 -1.173 -5.669 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.901 -0.399 -5.994 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.529 -2.014 -6.645 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.330 -0.460 -7.250 1.00 0.00 C ATOM 605 CE2 TYR A 39 8.966 -2.081 -7.904 1.00 0.00 C ATOM 606 CZ TYR A 39 7.867 -1.302 -8.202 1.00 0.00 C ATOM 607 OH TYR A 39 7.302 -1.367 -9.455 1.00 0.00 O ATOM 0 H TYR A 39 9.111 1.528 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 39 10.938 0.096 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.271 -1.972 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.839 -1.162 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.480 0.262 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.389 -2.626 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.469 0.147 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.384 -2.739 -8.651 1.00 0.00 H new ATOM 0 HH TYR A 39 7.800 -2.007 -10.006 1.00 0.00 H new ATOM 617 N TYR A 40 12.768 0.048 -4.746 1.00 0.00 N ATOM 618 CA TYR A 40 13.887 0.143 -5.676 1.00 0.00 C ATOM 619 C TYR A 40 14.674 -1.163 -5.717 1.00 0.00 C ATOM 620 O TYR A 40 14.643 -1.949 -4.771 1.00 0.00 O ATOM 621 CB TYR A 40 14.811 1.296 -5.278 1.00 0.00 C ATOM 622 CG TYR A 40 14.080 2.491 -4.712 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.543 2.459 -3.431 1.00 0.00 C ATOM 624 CD2 TYR A 40 13.926 3.654 -5.457 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.872 3.549 -2.909 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.259 4.749 -4.943 1.00 0.00 C ATOM 627 CZ TYR A 40 12.733 4.691 -3.669 1.00 0.00 C ATOM 628 OH TYR A 40 12.068 5.779 -3.153 1.00 0.00 O ATOM 0 H TYR A 40 13.029 -0.225 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 40 13.485 0.335 -6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.529 0.937 -4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.382 1.611 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.652 1.567 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.335 3.703 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.459 3.506 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.150 5.646 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 40 12.059 6.501 -3.815 1.00 0.00 H new ATOM 638 N ASN A 41 15.379 -1.387 -6.821 1.00 0.00 N ATOM 639 CA ASN A 41 16.174 -2.598 -6.988 1.00 0.00 C ATOM 640 C ASN A 41 17.608 -2.377 -6.515 1.00 0.00 C ATOM 641 O ASN A 41 18.012 -1.249 -6.234 1.00 0.00 O ATOM 642 CB ASN A 41 16.171 -3.038 -8.453 1.00 0.00 C ATOM 643 CG ASN A 41 16.721 -1.970 -9.378 1.00 0.00 C ATOM 644 OD1 ASN A 41 17.888 -1.589 -9.281 1.00 0.00 O ATOM 645 ND2 ASN A 41 15.881 -1.480 -10.282 1.00 0.00 N ATOM 0 H ASN A 41 15.416 -0.746 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 41 15.726 -3.383 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.764 -3.946 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.153 -3.286 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.195 -0.759 -10.931 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.922 -1.825 -10.327 1.00 0.00 H new ATOM 652 N ASN A 42 18.371 -3.461 -6.429 1.00 0.00 N ATOM 653 CA ASN A 42 19.760 -3.386 -5.990 1.00 0.00 C ATOM 654 C ASN A 42 20.655 -2.853 -7.105 1.00 0.00 C ATOM 655 O ASN A 42 21.476 -1.964 -6.884 1.00 0.00 O ATOM 656 CB ASN A 42 20.251 -4.764 -5.542 1.00 0.00 C ATOM 657 CG ASN A 42 21.754 -4.915 -5.678 1.00 0.00 C ATOM 658 OD1 ASN A 42 22.490 -3.928 -5.677 1.00 0.00 O ATOM 659 ND2 ASN A 42 22.215 -6.154 -5.795 1.00 0.00 N ATOM 0 H ASN A 42 18.051 -4.402 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 42 19.811 -2.698 -5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 42 19.965 -4.929 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.756 -5.533 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 42 23.217 -6.318 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.567 -6.942 -5.791 1.00 0.00 H new ATOM 666 N GLU A 43 20.489 -3.403 -8.304 1.00 0.00 N ATOM 667 CA GLU A 43 21.282 -2.983 -9.453 1.00 0.00 C ATOM 668 C GLU A 43 21.229 -1.468 -9.626 1.00 0.00 C ATOM 669 O GLU A 43 20.180 -0.847 -9.449 1.00 0.00 O ATOM 670 CB GLU A 43 20.781 -3.670 -10.725 1.00 0.00 C ATOM 671 CG GLU A 43 21.390 -5.043 -10.956 1.00 0.00 C ATOM 672 CD GLU A 43 22.825 -4.970 -11.443 1.00 0.00 C ATOM 673 OE1 GLU A 43 23.031 -4.720 -12.648 1.00 0.00 O ATOM 674 OE2 GLU A 43 23.741 -5.163 -10.616 1.00 0.00 O ATOM 0 H GLU A 43 19.813 -4.140 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 43 22.317 -3.275 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.697 -3.767 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.003 -3.035 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.354 -5.613 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.789 -5.585 -11.687 1.00 0.00 H new ATOM 681 N LYS A 44 22.367 -0.878 -9.974 1.00 0.00 N ATOM 682 CA LYS A 44 22.453 0.564 -10.172 1.00 0.00 C ATOM 683 C LYS A 44 21.207 1.092 -10.877 1.00 0.00 C ATOM 684 O LYS A 44 20.649 0.426 -11.749 1.00 0.00 O ATOM 685 CB LYS A 44 23.700 0.915 -10.986 1.00 0.00 C ATOM 686 CG LYS A 44 23.638 0.440 -12.428 1.00 0.00 C ATOM 687 CD LYS A 44 24.688 1.126 -13.286 1.00 0.00 C ATOM 688 CE LYS A 44 26.095 0.700 -12.892 1.00 0.00 C ATOM 689 NZ LYS A 44 26.356 -0.727 -13.225 1.00 0.00 N ATOM 0 H LYS A 44 23.244 -1.377 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 44 22.522 1.036 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 23.839 1.996 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 44 24.574 0.476 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.786 -0.639 -12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 44 22.647 0.639 -12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 44 24.515 0.887 -14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 44 24.592 2.207 -13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 26.822 1.331 -13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 44 26.235 0.855 -11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 27.375 -0.920 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.837 -1.339 -12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.038 -0.921 -14.196 1.00 0.00 H new ATOM 703 N GLU A 45 20.779 2.291 -10.495 1.00 0.00 N ATOM 704 CA GLU A 45 19.600 2.906 -11.093 1.00 0.00 C ATOM 705 C GLU A 45 19.746 3.003 -12.609 1.00 0.00 C ATOM 706 O GLU A 45 20.571 3.761 -13.116 1.00 0.00 O ATOM 707 CB GLU A 45 19.369 4.299 -10.502 1.00 0.00 C ATOM 708 CG GLU A 45 18.763 4.276 -9.109 1.00 0.00 C ATOM 709 CD GLU A 45 17.397 3.619 -9.078 1.00 0.00 C ATOM 710 OE1 GLU A 45 16.649 3.757 -10.068 1.00 0.00 O ATOM 711 OE2 GLU A 45 17.077 2.966 -8.063 1.00 0.00 O ATOM 0 H GLU A 45 21.230 2.855 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 45 18.740 2.276 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.319 4.832 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.712 4.862 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.433 3.744 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.680 5.297 -8.736 1.00 0.00 H new ATOM 718 N MET A 46 18.938 2.228 -13.325 1.00 0.00 N ATOM 719 CA MET A 46 18.977 2.226 -14.783 1.00 0.00 C ATOM 720 C MET A 46 17.650 2.708 -15.363 1.00 0.00 C ATOM 721 O MET A 46 16.915 1.937 -15.980 1.00 0.00 O ATOM 722 CB MET A 46 19.295 0.824 -15.305 1.00 0.00 C ATOM 723 CG MET A 46 19.870 0.814 -16.712 1.00 0.00 C ATOM 724 SD MET A 46 20.872 -0.648 -17.044 1.00 0.00 S ATOM 725 CE MET A 46 19.710 -1.652 -17.966 1.00 0.00 C ATOM 0 H MET A 46 18.249 1.594 -12.920 1.00 0.00 H new ATOM 0 HA MET A 46 19.763 2.911 -15.101 1.00 0.00 H new ATOM 0 HB2 MET A 46 20.003 0.346 -14.629 1.00 0.00 H new ATOM 0 HB3 MET A 46 18.385 0.224 -15.289 1.00 0.00 H new ATOM 0 HG2 MET A 46 19.055 0.862 -17.434 1.00 0.00 H new ATOM 0 HG3 MET A 46 20.478 1.707 -16.858 1.00 0.00 H new ATOM 0 HE1 MET A 46 20.183 -2.594 -18.244 1.00 0.00 H new ATOM 0 HE2 MET A 46 18.835 -1.854 -17.349 1.00 0.00 H new ATOM 0 HE3 MET A 46 19.404 -1.120 -18.867 1.00 0.00 H new ATOM 735 N TYR A 47 17.350 3.985 -15.159 1.00 0.00 N ATOM 736 CA TYR A 47 16.111 4.568 -15.659 1.00 0.00 C ATOM 737 C TYR A 47 14.929 3.637 -15.404 1.00 0.00 C ATOM 738 O TYR A 47 14.010 3.545 -16.218 1.00 0.00 O ATOM 739 CB TYR A 47 16.228 4.864 -17.155 1.00 0.00 C ATOM 740 CG TYR A 47 17.339 5.831 -17.495 1.00 0.00 C ATOM 741 CD1 TYR A 47 18.662 5.539 -17.186 1.00 0.00 C ATOM 742 CD2 TYR A 47 17.066 7.038 -18.128 1.00 0.00 C ATOM 743 CE1 TYR A 47 19.679 6.421 -17.494 1.00 0.00 C ATOM 744 CE2 TYR A 47 18.078 7.925 -18.442 1.00 0.00 C ATOM 745 CZ TYR A 47 19.383 7.612 -18.122 1.00 0.00 C ATOM 746 OH TYR A 47 20.394 8.492 -18.433 1.00 0.00 O ATOM 0 H TYR A 47 17.948 4.637 -14.651 1.00 0.00 H new ATOM 0 HA TYR A 47 15.937 5.502 -15.124 1.00 0.00 H new ATOM 0 HB2 TYR A 47 16.395 3.929 -17.690 1.00 0.00 H new ATOM 0 HB3 TYR A 47 15.282 5.271 -17.512 1.00 0.00 H new ATOM 0 HD1 TYR A 47 18.899 4.606 -16.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.045 7.287 -18.379 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.701 6.179 -17.244 1.00 0.00 H new ATOM 0 HE2 TYR A 47 17.849 8.858 -18.935 1.00 0.00 H new ATOM 0 HH TYR A 47 20.016 9.282 -18.873 1.00 0.00 H new ATOM 756 N SER A 48 14.961 2.948 -14.268 1.00 0.00 N ATOM 757 CA SER A 48 13.895 2.021 -13.906 1.00 0.00 C ATOM 758 C SER A 48 13.336 2.349 -12.525 1.00 0.00 C ATOM 759 O SER A 48 13.794 1.817 -11.514 1.00 0.00 O ATOM 760 CB SER A 48 14.413 0.582 -13.931 1.00 0.00 C ATOM 761 OG SER A 48 15.522 0.424 -13.064 1.00 0.00 O ATOM 0 H SER A 48 15.713 3.014 -13.582 1.00 0.00 H new ATOM 0 HA SER A 48 13.093 2.124 -14.637 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.616 -0.100 -13.635 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.701 0.313 -14.947 1.00 0.00 H new ATOM 0 HG SER A 48 15.283 0.738 -12.167 1.00 0.00 H new ATOM 767 N LYS A 49 12.342 3.230 -12.490 1.00 0.00 N ATOM 768 CA LYS A 49 11.717 3.630 -11.235 1.00 0.00 C ATOM 769 C LYS A 49 10.399 2.893 -11.024 1.00 0.00 C ATOM 770 O LYS A 49 9.839 2.323 -11.960 1.00 0.00 O ATOM 771 CB LYS A 49 11.477 5.142 -11.220 1.00 0.00 C ATOM 772 CG LYS A 49 12.691 5.947 -10.790 1.00 0.00 C ATOM 773 CD LYS A 49 12.865 5.932 -9.281 1.00 0.00 C ATOM 774 CE LYS A 49 12.060 7.038 -8.616 1.00 0.00 C ATOM 775 NZ LYS A 49 12.520 8.389 -9.040 1.00 0.00 N ATOM 0 H LYS A 49 11.952 3.681 -13.317 1.00 0.00 H new ATOM 0 HA LYS A 49 12.393 3.368 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.173 5.463 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.648 5.363 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.584 5.541 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.587 6.976 -11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.551 4.965 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.920 6.050 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.005 6.919 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.145 6.948 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.295 9.081 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.548 8.372 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.039 8.659 -9.921 1.00 0.00 H new ATOM 789 N GLY A 50 9.907 2.910 -9.789 1.00 0.00 N ATOM 790 CA GLY A 50 8.657 2.241 -9.479 1.00 0.00 C ATOM 791 C GLY A 50 8.040 2.735 -8.185 1.00 0.00 C ATOM 792 O GLY A 50 8.672 2.685 -7.130 1.00 0.00 O ATOM 0 H GLY A 50 10.352 3.375 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.953 2.397 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.831 1.167 -9.408 1.00 0.00 H new ATOM 796 N ILE A 51 6.804 3.215 -8.267 1.00 0.00 N ATOM 797 CA ILE A 51 6.103 3.721 -7.093 1.00 0.00 C ATOM 798 C ILE A 51 4.618 3.378 -7.150 1.00 0.00 C ATOM 799 O ILE A 51 3.963 3.578 -8.173 1.00 0.00 O ATOM 800 CB ILE A 51 6.261 5.247 -6.957 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.918 5.692 -5.534 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.379 5.963 -7.969 1.00 0.00 C ATOM 803 CD1 ILE A 51 7.107 5.696 -4.599 1.00 0.00 C ATOM 0 H ILE A 51 6.267 3.264 -9.133 1.00 0.00 H new ATOM 0 HA ILE A 51 6.552 3.239 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 51 7.299 5.510 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.490 6.694 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.151 5.031 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.502 7.041 -7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.666 5.665 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.336 5.697 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.790 6.022 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.523 4.690 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.867 6.379 -4.979 1.00 0.00 H new ATOM 815 N ILE A 52 4.093 2.862 -6.044 1.00 0.00 N ATOM 816 CA ILE A 52 2.685 2.494 -5.967 1.00 0.00 C ATOM 817 C ILE A 52 1.902 3.489 -5.117 1.00 0.00 C ATOM 818 O ILE A 52 2.098 3.599 -3.906 1.00 0.00 O ATOM 819 CB ILE A 52 2.503 1.081 -5.380 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.083 0.032 -6.331 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.031 0.805 -5.112 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.420 -1.277 -5.653 1.00 0.00 C ATOM 0 H ILE A 52 4.622 2.689 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 52 2.300 2.508 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 52 3.041 1.024 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.367 -0.156 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.983 0.433 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.918 -0.197 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.647 1.537 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.472 0.877 -6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.826 -1.973 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.159 -1.102 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.518 -1.701 -5.211 1.00 0.00 H new ATOM 834 N PRO A 53 0.993 4.233 -5.764 1.00 0.00 N ATOM 835 CA PRO A 53 0.160 5.231 -5.087 1.00 0.00 C ATOM 836 C PRO A 53 -0.874 4.595 -4.164 1.00 0.00 C ATOM 837 O PRO A 53 -1.682 3.771 -4.595 1.00 0.00 O ATOM 838 CB PRO A 53 -0.532 5.959 -6.243 1.00 0.00 C ATOM 839 CG PRO A 53 -0.548 4.970 -7.357 1.00 0.00 C ATOM 840 CD PRO A 53 0.707 4.156 -7.207 1.00 0.00 C ATOM 0 HA PRO A 53 0.750 5.885 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.542 6.265 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.010 6.862 -6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.433 4.336 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.574 5.472 -8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.560 3.126 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.524 4.565 -7.801 1.00 0.00 H new ATOM 848 N LEU A 54 -0.842 4.981 -2.893 1.00 0.00 N ATOM 849 CA LEU A 54 -1.777 4.448 -1.909 1.00 0.00 C ATOM 850 C LEU A 54 -3.200 4.439 -2.458 1.00 0.00 C ATOM 851 O LEU A 54 -4.016 3.597 -2.082 1.00 0.00 O ATOM 852 CB LEU A 54 -1.720 5.274 -0.622 1.00 0.00 C ATOM 853 CG LEU A 54 -2.844 5.028 0.384 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.555 3.788 1.216 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.032 6.242 1.282 1.00 0.00 C ATOM 0 H LEU A 54 -0.179 5.661 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.486 3.421 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.768 5.076 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.725 6.330 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.769 4.862 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.366 3.629 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.472 2.921 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.619 3.924 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.836 6.049 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.108 6.439 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.287 7.109 0.673 1.00 0.00 H new ATOM 867 N SER A 55 -3.491 5.380 -3.350 1.00 0.00 N ATOM 868 CA SER A 55 -4.816 5.481 -3.951 1.00 0.00 C ATOM 869 C SER A 55 -5.146 4.226 -4.753 1.00 0.00 C ATOM 870 O SER A 55 -6.252 3.694 -4.665 1.00 0.00 O ATOM 871 CB SER A 55 -4.896 6.713 -4.854 1.00 0.00 C ATOM 872 OG SER A 55 -3.930 6.651 -5.889 1.00 0.00 O ATOM 0 H SER A 55 -2.827 6.084 -3.673 1.00 0.00 H new ATOM 0 HA SER A 55 -5.546 5.580 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.894 6.786 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.740 7.614 -4.260 1.00 0.00 H new ATOM 0 HG SER A 55 -4.003 7.449 -6.453 1.00 0.00 H new ATOM 878 N ALA A 56 -4.178 3.759 -5.535 1.00 0.00 N ATOM 879 CA ALA A 56 -4.365 2.566 -6.351 1.00 0.00 C ATOM 880 C ALA A 56 -4.800 1.380 -5.498 1.00 0.00 C ATOM 881 O ALA A 56 -5.683 0.615 -5.887 1.00 0.00 O ATOM 882 CB ALA A 56 -3.084 2.236 -7.103 1.00 0.00 C ATOM 0 H ALA A 56 -3.257 4.189 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.156 2.770 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.237 1.343 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.816 3.071 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.279 2.057 -6.390 1.00 0.00 H new ATOM 888 N ILE A 57 -4.175 1.232 -4.335 1.00 0.00 N ATOM 889 CA ILE A 57 -4.499 0.139 -3.427 1.00 0.00 C ATOM 890 C ILE A 57 -5.986 0.127 -3.089 1.00 0.00 C ATOM 891 O ILE A 57 -6.506 1.075 -2.500 1.00 0.00 O ATOM 892 CB ILE A 57 -3.687 0.231 -2.122 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.195 0.062 -2.410 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.163 -0.817 -1.127 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.305 0.493 -1.266 1.00 0.00 C ATOM 0 H ILE A 57 -3.441 1.856 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.239 -0.786 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.843 1.217 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.994 -0.984 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.937 0.640 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.579 -0.739 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.217 -0.653 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.034 -1.811 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.261 0.345 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.477 1.547 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.535 -0.102 -0.382 1.00 0.00 H new ATOM 907 N SER A 58 -6.664 -0.952 -3.463 1.00 0.00 N ATOM 908 CA SER A 58 -8.092 -1.087 -3.201 1.00 0.00 C ATOM 909 C SER A 58 -8.339 -1.932 -1.955 1.00 0.00 C ATOM 910 O SER A 58 -9.112 -1.552 -1.075 1.00 0.00 O ATOM 911 CB SER A 58 -8.796 -1.716 -4.405 1.00 0.00 C ATOM 912 OG SER A 58 -8.890 -0.797 -5.479 1.00 0.00 O ATOM 0 H SER A 58 -6.248 -1.746 -3.949 1.00 0.00 H new ATOM 0 HA SER A 58 -8.500 -0.091 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.249 -2.602 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.794 -2.045 -4.115 1.00 0.00 H new ATOM 0 HG SER A 58 -9.342 -1.224 -6.236 1.00 0.00 H new ATOM 918 N THR A 59 -7.675 -3.082 -1.886 1.00 0.00 N ATOM 919 CA THR A 59 -7.822 -3.982 -0.749 1.00 0.00 C ATOM 920 C THR A 59 -6.668 -4.977 -0.684 1.00 0.00 C ATOM 921 O THR A 59 -6.030 -5.271 -1.695 1.00 0.00 O ATOM 922 CB THR A 59 -9.151 -4.758 -0.815 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.438 -5.347 0.458 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.092 -5.843 -1.880 1.00 0.00 C ATOM 0 H THR A 59 -7.030 -3.412 -2.604 1.00 0.00 H new ATOM 0 HA THR A 59 -7.816 -3.363 0.148 1.00 0.00 H new ATOM 0 HB THR A 59 -9.943 -4.057 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.285 -5.837 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.042 -6.377 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.903 -5.388 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.289 -6.542 -1.644 1.00 0.00 H new ATOM 932 N VAL A 60 -6.406 -5.493 0.513 1.00 0.00 N ATOM 933 CA VAL A 60 -5.330 -6.457 0.710 1.00 0.00 C ATOM 934 C VAL A 60 -5.865 -7.771 1.269 1.00 0.00 C ATOM 935 O VAL A 60 -6.848 -7.787 2.011 1.00 0.00 O ATOM 936 CB VAL A 60 -4.252 -5.908 1.662 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.051 -6.841 1.705 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.834 -4.507 1.242 1.00 0.00 C ATOM 0 H VAL A 60 -6.924 -5.260 1.360 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.883 -6.637 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.674 -5.851 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.300 -6.436 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.366 -7.823 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.626 -6.933 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.071 -4.134 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.431 -4.536 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.700 -3.846 1.269 1.00 0.00 H new ATOM 948 N ARG A 61 -5.211 -8.871 0.909 1.00 0.00 N ATOM 949 CA ARG A 61 -5.621 -10.190 1.374 1.00 0.00 C ATOM 950 C ARG A 61 -4.413 -11.105 1.547 1.00 0.00 C ATOM 951 O ARG A 61 -3.446 -11.024 0.789 1.00 0.00 O ATOM 952 CB ARG A 61 -6.612 -10.816 0.391 1.00 0.00 C ATOM 953 CG ARG A 61 -6.156 -10.751 -1.057 1.00 0.00 C ATOM 954 CD ARG A 61 -7.236 -11.251 -2.004 1.00 0.00 C ATOM 955 NE ARG A 61 -7.300 -12.710 -2.039 1.00 0.00 N ATOM 956 CZ ARG A 61 -7.827 -13.398 -3.046 1.00 0.00 C ATOM 957 NH1 ARG A 61 -8.332 -12.764 -4.095 1.00 0.00 N ATOM 958 NH2 ARG A 61 -7.848 -14.724 -3.005 1.00 0.00 N ATOM 0 H ARG A 61 -4.395 -8.874 0.297 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.107 -10.071 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.774 -11.858 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.572 -10.309 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.894 -9.724 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.254 -11.350 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.202 -10.853 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.042 -10.872 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.919 -13.229 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.317 -11.745 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.736 -13.295 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.459 -15.216 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.253 -15.252 -3.778 1.00 0.00 H new ATOM 972 N VAL A 62 -4.475 -11.976 2.549 1.00 0.00 N ATOM 973 CA VAL A 62 -3.387 -12.908 2.821 1.00 0.00 C ATOM 974 C VAL A 62 -3.463 -14.124 1.906 1.00 0.00 C ATOM 975 O VAL A 62 -4.547 -14.633 1.623 1.00 0.00 O ATOM 976 CB VAL A 62 -3.405 -13.380 4.287 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.108 -12.220 5.226 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.744 -14.019 4.624 1.00 0.00 C ATOM 0 H VAL A 62 -5.268 -12.056 3.186 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.457 -12.372 2.631 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.626 -14.131 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.125 -12.573 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.124 -11.811 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.862 -11.444 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.739 -14.347 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.542 -13.291 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.911 -14.878 3.974 1.00 0.00 H new ATOM 988 N GLN A 63 -2.304 -14.586 1.447 1.00 0.00 N ATOM 989 CA GLN A 63 -2.240 -15.744 0.563 1.00 0.00 C ATOM 990 C GLN A 63 -1.160 -16.719 1.021 1.00 0.00 C ATOM 991 O GLN A 63 -0.278 -16.362 1.800 1.00 0.00 O ATOM 992 CB GLN A 63 -1.967 -15.300 -0.875 1.00 0.00 C ATOM 993 CG GLN A 63 -0.618 -14.623 -1.057 1.00 0.00 C ATOM 994 CD GLN A 63 -0.094 -14.737 -2.475 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.548 -13.844 -3.347 1.00 0.00 O flip ATOM 996 NE2 GLN A 63 0.708 -15.618 -2.784 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.397 -14.176 1.672 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.203 -16.253 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.020 -16.169 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.754 -14.615 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.705 -13.570 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.103 -15.067 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.030 -16.283 -2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.050 -15.683 -3.743 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.237 -17.953 0.531 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.261 -18.960 0.901 1.00 0.00 C ATOM 1007 C GLY A 64 -0.103 -19.090 2.403 1.00 0.00 C ATOM 1008 O GLY A 64 -1.070 -19.361 3.114 1.00 0.00 O ATOM 0 H GLY A 64 -1.958 -18.273 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.561 -19.922 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.702 -18.708 0.458 1.00 0.00 H new ATOM 1012 N ASP A 65 1.120 -18.899 2.886 1.00 0.00 N ATOM 1013 CA ASP A 65 1.402 -18.997 4.313 1.00 0.00 C ATOM 1014 C ASP A 65 2.053 -17.717 4.828 1.00 0.00 C ATOM 1015 O ASP A 65 1.660 -17.183 5.864 1.00 0.00 O ATOM 1016 CB ASP A 65 2.311 -20.195 4.594 1.00 0.00 C ATOM 1017 CG ASP A 65 1.534 -21.489 4.745 1.00 0.00 C ATOM 1018 OD1 ASP A 65 0.916 -21.928 3.752 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.543 -22.061 5.855 1.00 0.00 O ATOM 0 H ASP A 65 1.932 -18.675 2.310 1.00 0.00 H new ATOM 0 HA ASP A 65 0.456 -19.138 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.031 -20.299 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.882 -20.009 5.504 1.00 0.00 H new ATOM 1024 N ASN A 66 3.051 -17.232 4.097 1.00 0.00 N ATOM 1025 CA ASN A 66 3.758 -16.015 4.480 1.00 0.00 C ATOM 1026 C ASN A 66 3.779 -15.013 3.330 1.00 0.00 C ATOM 1027 O ASN A 66 4.742 -14.264 3.162 1.00 0.00 O ATOM 1028 CB ASN A 66 5.189 -16.346 4.910 1.00 0.00 C ATOM 1029 CG ASN A 66 5.259 -17.584 5.783 1.00 0.00 C ATOM 1030 OD1 ASN A 66 5.062 -18.703 5.308 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.539 -17.388 7.066 1.00 0.00 N ATOM 0 H ASN A 66 3.389 -17.663 3.236 1.00 0.00 H new ATOM 0 HA ASN A 66 3.228 -15.565 5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.807 -16.494 4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.608 -15.498 5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.598 -18.183 7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.695 -16.442 7.415 1.00 0.00 H new ATOM 1038 N LYS A 67 2.710 -15.004 2.541 1.00 0.00 N ATOM 1039 CA LYS A 67 2.604 -14.093 1.407 1.00 0.00 C ATOM 1040 C LYS A 67 1.271 -13.351 1.430 1.00 0.00 C ATOM 1041 O LYS A 67 0.359 -13.714 2.172 1.00 0.00 O ATOM 1042 CB LYS A 67 2.748 -14.863 0.093 1.00 0.00 C ATOM 1043 CG LYS A 67 4.192 -15.084 -0.326 1.00 0.00 C ATOM 1044 CD LYS A 67 4.289 -15.535 -1.774 1.00 0.00 C ATOM 1045 CE LYS A 67 3.817 -16.971 -1.944 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.760 -17.942 -1.324 1.00 0.00 N ATOM 0 H LYS A 67 1.905 -15.617 2.666 1.00 0.00 H new ATOM 0 HA LYS A 67 3.409 -13.362 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.255 -15.830 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.228 -14.319 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.756 -14.161 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.649 -15.833 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.689 -14.877 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.321 -15.447 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.831 -17.085 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.711 -17.195 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.550 -18.900 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.736 -17.688 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.654 -17.917 -0.290 1.00 0.00 H new ATOM 1060 N PHE A 68 1.166 -12.309 0.611 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.056 -11.516 0.536 1.00 0.00 C ATOM 1062 C PHE A 68 -0.229 -10.913 -0.855 1.00 0.00 C ATOM 1063 O PHE A 68 0.725 -10.826 -1.627 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.032 -10.404 1.587 1.00 0.00 C ATOM 1065 CG PHE A 68 1.167 -9.506 1.482 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.436 -9.988 1.758 1.00 0.00 C ATOM 1067 CD2 PHE A 68 1.024 -8.179 1.109 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.542 -9.163 1.662 1.00 0.00 C ATOM 1069 CE2 PHE A 68 2.126 -7.350 1.011 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.386 -7.843 1.289 1.00 0.00 C ATOM 0 H PHE A 68 1.912 -11.994 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.901 -12.176 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.936 -9.803 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.054 -10.853 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.563 -11.020 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.041 -7.788 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.526 -9.551 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.002 -6.318 0.717 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.248 -7.197 1.215 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.453 -10.498 -1.165 1.00 0.00 N ATOM 1081 CA GLU A 69 -1.751 -9.904 -2.463 1.00 0.00 C ATOM 1082 C GLU A 69 -2.266 -8.477 -2.303 1.00 0.00 C ATOM 1083 O GLU A 69 -3.145 -8.210 -1.483 1.00 0.00 O ATOM 1084 CB GLU A 69 -2.784 -10.750 -3.211 1.00 0.00 C ATOM 1085 CG GLU A 69 -2.915 -10.392 -4.682 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.207 -10.897 -5.293 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.224 -10.176 -5.209 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.203 -12.013 -5.853 1.00 0.00 O ATOM 0 H GLU A 69 -2.253 -10.562 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.828 -9.876 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.511 -11.802 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.755 -10.632 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.863 -9.309 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.071 -10.810 -5.230 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.712 -7.562 -3.093 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.115 -6.162 -3.040 1.00 0.00 C ATOM 1097 C VAL A 70 -2.886 -5.764 -4.294 1.00 0.00 C ATOM 1098 O VAL A 70 -2.295 -5.456 -5.329 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.897 -5.233 -2.884 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.322 -3.775 -2.971 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.180 -5.510 -1.572 1.00 0.00 C ATOM 0 H VAL A 70 -0.983 -7.766 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.761 -6.052 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.203 -5.433 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.448 -3.134 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.787 -3.589 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.037 -3.556 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.678 -4.844 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.864 -5.339 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.160 -6.545 -1.555 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.212 -5.772 -4.194 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.066 -5.411 -5.319 1.00 0.00 C ATOM 1113 C VAL A 71 -4.993 -3.916 -5.607 1.00 0.00 C ATOM 1114 O VAL A 71 -5.369 -3.092 -4.772 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.533 -5.801 -5.059 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.398 -5.461 -6.263 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.638 -7.280 -4.718 1.00 0.00 C ATOM 0 H VAL A 71 -4.718 -6.025 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.699 -5.963 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.897 -5.228 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.431 -5.744 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.347 -4.390 -6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.037 -6.006 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.681 -7.539 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.256 -7.873 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.052 -7.490 -3.823 1.00 0.00 H new ATOM 1127 N THR A 72 -4.505 -3.570 -6.794 1.00 0.00 N ATOM 1128 CA THR A 72 -4.382 -2.173 -7.192 1.00 0.00 C ATOM 1129 C THR A 72 -5.257 -1.867 -8.402 1.00 0.00 C ATOM 1130 O THR A 72 -5.499 -2.734 -9.243 1.00 0.00 O ATOM 1131 CB THR A 72 -2.922 -1.811 -7.524 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.350 -2.810 -8.375 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.094 -1.684 -6.254 1.00 0.00 C ATOM 0 H THR A 72 -4.188 -4.238 -7.497 1.00 0.00 H new ATOM 0 HA THR A 72 -4.715 -1.572 -6.345 1.00 0.00 H new ATOM 0 HB THR A 72 -2.917 -0.851 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.382 -2.669 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.067 -1.428 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.515 -0.902 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.107 -2.631 -5.715 1.00 0.00 H new ATOM 1141 N THR A 73 -5.730 -0.627 -8.487 1.00 0.00 N ATOM 1142 CA THR A 73 -6.578 -0.207 -9.594 1.00 0.00 C ATOM 1143 C THR A 73 -5.854 -0.350 -10.928 1.00 0.00 C ATOM 1144 O THR A 73 -6.468 -0.259 -11.991 1.00 0.00 O ATOM 1145 CB THR A 73 -7.038 1.254 -9.427 1.00 0.00 C ATOM 1146 OG1 THR A 73 -8.040 1.339 -8.408 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.589 1.801 -10.735 1.00 0.00 C ATOM 0 H THR A 73 -5.539 0.104 -7.801 1.00 0.00 H new ATOM 0 HA THR A 73 -7.452 -0.859 -9.586 1.00 0.00 H new ATOM 0 HB THR A 73 -6.174 1.853 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.326 2.271 -8.307 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.907 2.834 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.814 1.763 -11.501 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.441 1.199 -11.051 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.545 -0.575 -10.864 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.738 -0.731 -12.068 1.00 0.00 C ATOM 1157 C GLN A 74 -3.487 -2.205 -12.368 1.00 0.00 C ATOM 1158 O GLN A 74 -4.022 -2.752 -13.332 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.405 0.005 -11.912 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.460 1.460 -12.347 1.00 0.00 C ATOM 1161 CD GLN A 74 -2.544 1.617 -13.852 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -3.522 1.207 -14.477 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -1.515 2.214 -14.444 1.00 0.00 N ATOM 0 H GLN A 74 -4.022 -0.653 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.289 -0.298 -12.903 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.093 -0.042 -10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.643 -0.512 -12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.324 1.940 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.574 1.978 -11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.724 2.539 -13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.516 2.348 -15.455 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.669 -2.842 -11.536 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.346 -4.252 -11.714 1.00 0.00 C ATOM 1174 C ARG A 75 -1.991 -4.901 -10.379 1.00 0.00 C ATOM 1175 O ARG A 75 -1.053 -4.480 -9.701 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.183 -4.411 -12.695 1.00 0.00 C ATOM 1177 CG ARG A 75 -1.568 -4.151 -14.142 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.353 -4.189 -15.057 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.709 -4.562 -16.424 1.00 0.00 N ATOM 1180 CZ ARG A 75 -0.862 -5.818 -16.826 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -0.693 -6.817 -15.971 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -1.187 -6.077 -18.087 1.00 0.00 N ATOM 0 H ARG A 75 -2.218 -2.404 -10.733 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.226 -4.752 -12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.384 -3.726 -12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.783 -5.421 -12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.293 -4.897 -14.467 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.054 -3.179 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.128 -3.211 -15.062 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.374 -4.900 -14.665 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.848 -3.817 -17.107 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.445 -6.622 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.811 -7.781 -16.283 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.319 -5.311 -18.747 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.304 -7.042 -18.395 1.00 0.00 H new ATOM 1196 N THR A 76 -2.747 -5.928 -10.006 1.00 0.00 N ATOM 1197 CA THR A 76 -2.515 -6.634 -8.753 1.00 0.00 C ATOM 1198 C THR A 76 -1.064 -7.089 -8.639 1.00 0.00 C ATOM 1199 O THR A 76 -0.489 -7.608 -9.596 1.00 0.00 O ATOM 1200 CB THR A 76 -3.437 -7.860 -8.618 1.00 0.00 C ATOM 1201 OG1 THR A 76 -4.803 -7.466 -8.788 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.261 -8.524 -7.261 1.00 0.00 C ATOM 0 H THR A 76 -3.527 -6.290 -10.555 1.00 0.00 H new ATOM 0 HA THR A 76 -2.738 -5.932 -7.950 1.00 0.00 H new ATOM 0 HB THR A 76 -3.166 -8.577 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.383 -8.251 -8.703 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.923 -9.387 -7.190 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.227 -8.849 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.507 -7.812 -6.473 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.478 -6.892 -7.463 1.00 0.00 N ATOM 1211 CA PHE A 77 0.907 -7.282 -7.224 1.00 0.00 C ATOM 1212 C PHE A 77 1.011 -8.205 -6.014 1.00 0.00 C ATOM 1213 O PHE A 77 0.251 -8.078 -5.054 1.00 0.00 O ATOM 1214 CB PHE A 77 1.779 -6.042 -7.010 1.00 0.00 C ATOM 1215 CG PHE A 77 1.578 -4.981 -8.054 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.594 -5.304 -9.401 1.00 0.00 C ATOM 1217 CD2 PHE A 77 1.372 -3.661 -7.688 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.410 -4.329 -10.364 1.00 0.00 C ATOM 1219 CE2 PHE A 77 1.187 -2.681 -8.646 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.205 -3.016 -9.985 1.00 0.00 C ATOM 0 H PHE A 77 -0.940 -6.465 -6.660 1.00 0.00 H new ATOM 0 HA PHE A 77 1.263 -7.821 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.563 -5.620 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.827 -6.341 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.752 -6.329 -9.702 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.356 -3.394 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.426 -4.593 -11.411 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.029 -1.655 -8.347 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.059 -2.253 -10.735 1.00 0.00 H new ATOM 1230 N VAL A 78 1.958 -9.137 -6.067 1.00 0.00 N ATOM 1231 CA VAL A 78 2.163 -10.082 -4.977 1.00 0.00 C ATOM 1232 C VAL A 78 3.456 -9.783 -4.226 1.00 0.00 C ATOM 1233 O VAL A 78 4.540 -9.783 -4.809 1.00 0.00 O ATOM 1234 CB VAL A 78 2.206 -11.533 -5.492 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.391 -12.505 -4.337 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.942 -11.857 -6.275 1.00 0.00 C ATOM 0 H VAL A 78 2.595 -9.257 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 78 1.317 -9.970 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 78 3.059 -11.637 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.419 -13.525 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.326 -12.285 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.560 -12.403 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.989 -12.886 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.073 -11.736 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.858 -11.181 -7.126 1.00 0.00 H new ATOM 1246 N PHE A 79 3.333 -9.528 -2.927 1.00 0.00 N ATOM 1247 CA PHE A 79 4.492 -9.226 -2.095 1.00 0.00 C ATOM 1248 C PHE A 79 4.708 -10.314 -1.047 1.00 0.00 C ATOM 1249 O PHE A 79 3.770 -10.728 -0.365 1.00 0.00 O ATOM 1250 CB PHE A 79 4.315 -7.870 -1.409 1.00 0.00 C ATOM 1251 CG PHE A 79 4.624 -6.702 -2.301 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.837 -6.622 -2.965 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.701 -5.683 -2.475 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.124 -5.549 -3.788 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.982 -4.608 -3.296 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.196 -4.540 -3.952 1.00 0.00 C ATOM 0 H PHE A 79 2.443 -9.525 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 79 5.370 -9.187 -2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.288 -7.783 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.961 -7.828 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.567 -7.407 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.751 -5.730 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.073 -5.500 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.253 -3.821 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.419 -3.699 -4.592 1.00 0.00 H new ATOM 1266 N ARG A 80 5.949 -10.774 -0.927 1.00 0.00 N ATOM 1267 CA ARG A 80 6.288 -11.815 0.036 1.00 0.00 C ATOM 1268 C ARG A 80 7.197 -11.267 1.132 1.00 0.00 C ATOM 1269 O ARG A 80 8.072 -10.441 0.872 1.00 0.00 O ATOM 1270 CB ARG A 80 6.972 -12.988 -0.670 1.00 0.00 C ATOM 1271 CG ARG A 80 7.507 -14.044 0.284 1.00 0.00 C ATOM 1272 CD ARG A 80 8.477 -14.984 -0.414 1.00 0.00 C ATOM 1273 NE ARG A 80 8.731 -16.189 0.371 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.618 -17.117 0.027 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.332 -16.977 -1.081 1.00 0.00 N ATOM 1276 NH2 ARG A 80 9.793 -18.186 0.793 1.00 0.00 N ATOM 0 H ARG A 80 6.736 -10.442 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 80 5.364 -12.165 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.262 -13.454 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.794 -12.607 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.008 -13.559 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.677 -14.617 0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.074 -15.264 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.418 -14.465 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 80 8.199 -16.326 1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.201 -16.156 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.012 -17.691 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.246 -18.296 1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.474 -18.897 0.528 1.00 0.00 H new ATOM 1290 N VAL A 81 6.983 -11.732 2.358 1.00 0.00 N ATOM 1291 CA VAL A 81 7.783 -11.290 3.494 1.00 0.00 C ATOM 1292 C VAL A 81 8.762 -12.373 3.932 1.00 0.00 C ATOM 1293 O VAL A 81 8.664 -13.522 3.503 1.00 0.00 O ATOM 1294 CB VAL A 81 6.893 -10.904 4.691 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.383 -9.478 4.540 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.735 -11.880 4.830 1.00 0.00 C ATOM 0 H VAL A 81 6.262 -12.415 2.590 1.00 0.00 H new ATOM 0 HA VAL A 81 8.340 -10.412 3.166 1.00 0.00 H new ATOM 0 HB VAL A 81 7.494 -10.956 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.756 -9.223 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.229 -8.792 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.798 -9.396 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.117 -11.592 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.133 -11.862 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.124 -12.886 4.988 1.00 0.00 H new ATOM 1306 N GLU A 82 9.707 -11.998 4.789 1.00 0.00 N ATOM 1307 CA GLU A 82 10.705 -12.938 5.285 1.00 0.00 C ATOM 1308 C GLU A 82 10.235 -13.599 6.577 1.00 0.00 C ATOM 1309 O GLU A 82 10.745 -14.647 6.974 1.00 0.00 O ATOM 1310 CB GLU A 82 12.038 -12.225 5.519 1.00 0.00 C ATOM 1311 CG GLU A 82 13.198 -13.172 5.777 1.00 0.00 C ATOM 1312 CD GLU A 82 13.904 -13.591 4.502 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.519 -12.720 3.852 1.00 0.00 O ATOM 1314 OE2 GLU A 82 13.842 -14.789 4.155 1.00 0.00 O ATOM 0 H GLU A 82 9.802 -11.050 5.154 1.00 0.00 H new ATOM 0 HA GLU A 82 10.844 -13.713 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.269 -11.610 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.935 -11.550 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.914 -12.690 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.830 -14.059 6.292 1.00 0.00 H new ATOM 1321 N LYS A 83 9.259 -12.978 7.232 1.00 0.00 N ATOM 1322 CA LYS A 83 8.718 -13.504 8.479 1.00 0.00 C ATOM 1323 C LYS A 83 7.227 -13.205 8.595 1.00 0.00 C ATOM 1324 O LYS A 83 6.794 -12.074 8.381 1.00 0.00 O ATOM 1325 CB LYS A 83 9.463 -12.905 9.675 1.00 0.00 C ATOM 1326 CG LYS A 83 10.949 -13.223 9.687 1.00 0.00 C ATOM 1327 CD LYS A 83 11.212 -14.640 10.166 1.00 0.00 C ATOM 1328 CE LYS A 83 12.699 -14.958 10.175 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.378 -14.405 11.380 1.00 0.00 N ATOM 0 H LYS A 83 8.827 -12.109 6.919 1.00 0.00 H new ATOM 0 HA LYS A 83 8.855 -14.585 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.331 -11.823 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.013 -13.276 10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.357 -13.095 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.468 -12.517 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.806 -14.767 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.692 -15.346 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.839 -16.038 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.163 -14.550 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.390 -14.643 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.266 -13.371 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.953 -14.814 12.236 1.00 0.00 H new ATOM 1343 N GLU A 84 6.448 -14.227 8.936 1.00 0.00 N ATOM 1344 CA GLU A 84 5.005 -14.072 9.080 1.00 0.00 C ATOM 1345 C GLU A 84 4.666 -12.753 9.770 1.00 0.00 C ATOM 1346 O GLU A 84 3.912 -11.940 9.238 1.00 0.00 O ATOM 1347 CB GLU A 84 4.421 -15.241 9.875 1.00 0.00 C ATOM 1348 CG GLU A 84 3.050 -14.952 10.463 1.00 0.00 C ATOM 1349 CD GLU A 84 2.552 -16.071 11.357 1.00 0.00 C ATOM 1350 OE1 GLU A 84 1.930 -17.018 10.831 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.782 -16.000 12.582 1.00 0.00 O ATOM 0 H GLU A 84 6.792 -15.170 9.117 1.00 0.00 H new ATOM 0 HA GLU A 84 4.565 -14.064 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.352 -16.113 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.106 -15.499 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.092 -14.026 11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.337 -14.794 9.654 1.00 0.00 H new ATOM 1358 N GLU A 85 5.229 -12.552 10.957 1.00 0.00 N ATOM 1359 CA GLU A 85 4.985 -11.333 11.720 1.00 0.00 C ATOM 1360 C GLU A 85 4.908 -10.120 10.798 1.00 0.00 C ATOM 1361 O GLU A 85 3.967 -9.331 10.872 1.00 0.00 O ATOM 1362 CB GLU A 85 6.088 -11.127 12.760 1.00 0.00 C ATOM 1363 CG GLU A 85 6.028 -9.776 13.452 1.00 0.00 C ATOM 1364 CD GLU A 85 7.315 -9.434 14.178 1.00 0.00 C ATOM 1365 OE1 GLU A 85 8.263 -8.966 13.514 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.373 -9.634 15.409 1.00 0.00 O ATOM 0 H GLU A 85 5.856 -13.216 11.411 1.00 0.00 H new ATOM 0 HA GLU A 85 4.028 -11.440 12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.019 -11.914 13.511 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.058 -11.234 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.816 -9.003 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.202 -9.773 14.163 1.00 0.00 H new ATOM 1373 N GLU A 86 5.906 -9.978 9.931 1.00 0.00 N ATOM 1374 CA GLU A 86 5.951 -8.861 8.995 1.00 0.00 C ATOM 1375 C GLU A 86 4.648 -8.758 8.207 1.00 0.00 C ATOM 1376 O GLU A 86 4.055 -7.684 8.106 1.00 0.00 O ATOM 1377 CB GLU A 86 7.130 -9.019 8.034 1.00 0.00 C ATOM 1378 CG GLU A 86 8.486 -8.935 8.714 1.00 0.00 C ATOM 1379 CD GLU A 86 8.697 -7.617 9.434 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.164 -6.656 8.787 1.00 0.00 O ATOM 1381 OE2 GLU A 86 8.394 -7.546 10.644 1.00 0.00 O ATOM 0 H GLU A 86 6.693 -10.622 9.858 1.00 0.00 H new ATOM 0 HA GLU A 86 6.081 -7.944 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.047 -9.980 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.069 -8.246 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.582 -9.754 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.271 -9.067 7.969 1.00 0.00 H new ATOM 1388 N ARG A 87 4.210 -9.882 7.651 1.00 0.00 N ATOM 1389 CA ARG A 87 2.979 -9.919 6.870 1.00 0.00 C ATOM 1390 C ARG A 87 1.878 -9.113 7.553 1.00 0.00 C ATOM 1391 O ARG A 87 1.359 -8.150 6.989 1.00 0.00 O ATOM 1392 CB ARG A 87 2.519 -11.364 6.671 1.00 0.00 C ATOM 1393 CG ARG A 87 1.404 -11.513 5.648 1.00 0.00 C ATOM 1394 CD ARG A 87 0.508 -12.698 5.971 1.00 0.00 C ATOM 1395 NE ARG A 87 -0.318 -12.455 7.150 1.00 0.00 N ATOM 1396 CZ ARG A 87 -1.048 -13.394 7.743 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -1.054 -14.632 7.268 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -1.774 -13.095 8.813 1.00 0.00 N ATOM 0 H ARG A 87 4.689 -10.779 7.726 1.00 0.00 H new ATOM 0 HA ARG A 87 3.182 -9.473 5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.371 -11.968 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.179 -11.763 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.808 -10.601 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.834 -11.641 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.134 -12.910 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.123 -13.583 6.135 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.336 -11.513 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.497 -14.865 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.615 -15.351 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.772 -12.144 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.334 -13.816 9.267 1.00 0.00 H new ATOM 1412 N ASN A 88 1.526 -9.514 8.770 1.00 0.00 N ATOM 1413 CA ASN A 88 0.486 -8.830 9.530 1.00 0.00 C ATOM 1414 C ASN A 88 0.798 -7.343 9.662 1.00 0.00 C ATOM 1415 O ASN A 88 -0.094 -6.499 9.565 1.00 0.00 O ATOM 1416 CB ASN A 88 0.342 -9.458 10.917 1.00 0.00 C ATOM 1417 CG ASN A 88 1.274 -8.830 11.936 1.00 0.00 C ATOM 1418 OD1 ASN A 88 1.211 -7.628 12.193 1.00 0.00 O ATOM 1419 ND2 ASN A 88 2.145 -9.644 12.521 1.00 0.00 N ATOM 0 H ASN A 88 1.946 -10.309 9.251 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.455 -8.939 8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.688 -9.351 11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.546 -10.527 10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.798 -9.279 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.161 -10.634 12.277 1.00 0.00 H new ATOM 1426 N ASP A 89 2.070 -7.028 9.884 1.00 0.00 N ATOM 1427 CA ASP A 89 2.501 -5.643 10.028 1.00 0.00 C ATOM 1428 C ASP A 89 2.230 -4.853 8.751 1.00 0.00 C ATOM 1429 O ASP A 89 1.445 -3.905 8.751 1.00 0.00 O ATOM 1430 CB ASP A 89 3.990 -5.583 10.373 1.00 0.00 C ATOM 1431 CG ASP A 89 4.341 -4.370 11.212 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.440 -3.264 10.643 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.518 -4.529 12.439 1.00 0.00 O ATOM 0 H ASP A 89 2.820 -7.714 9.968 1.00 0.00 H new ATOM 0 HA ASP A 89 1.929 -5.193 10.840 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.272 -6.488 10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.573 -5.565 9.452 1.00 0.00 H new ATOM 1438 N TRP A 90 2.884 -5.251 7.666 1.00 0.00 N ATOM 1439 CA TRP A 90 2.714 -4.579 6.383 1.00 0.00 C ATOM 1440 C TRP A 90 1.239 -4.338 6.086 1.00 0.00 C ATOM 1441 O TRP A 90 0.830 -3.212 5.799 1.00 0.00 O ATOM 1442 CB TRP A 90 3.343 -5.409 5.262 1.00 0.00 C ATOM 1443 CG TRP A 90 4.830 -5.243 5.163 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.783 -6.106 5.622 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.531 -4.146 4.568 1.00 0.00 C ATOM 1446 NE1 TRP A 90 7.036 -5.611 5.349 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.909 -4.411 4.702 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.131 -2.967 3.934 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.883 -3.538 4.226 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.100 -2.102 3.462 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.463 -2.391 3.609 1.00 0.00 C ATOM 0 H TRP A 90 3.536 -6.035 7.649 1.00 0.00 H new ATOM 0 HA TRP A 90 3.217 -3.614 6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.112 -6.462 5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.889 -5.127 4.312 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.582 -7.040 6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.918 -6.064 5.589 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.083 -2.736 3.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.934 -3.758 4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.801 -1.187 2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.196 -1.695 3.228 1.00 0.00 H new ATOM 1462 N ILE A 91 0.444 -5.400 6.157 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.987 -5.301 5.897 1.00 0.00 C ATOM 1464 C ILE A 91 -1.647 -4.291 6.829 1.00 0.00 C ATOM 1465 O ILE A 91 -2.396 -3.420 6.387 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.684 -6.665 6.060 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.255 -7.618 4.942 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.195 -6.490 6.063 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.911 -8.979 5.023 1.00 0.00 C ATOM 0 H ILE A 91 0.766 -6.339 6.392 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.098 -4.966 4.866 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.386 -7.097 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.493 -7.166 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.173 -7.743 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.674 -7.462 6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.485 -5.842 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.511 -6.040 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.560 -9.601 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.653 -9.452 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.993 -8.866 4.957 1.00 0.00 H new ATOM 1481 N SER A 92 -1.362 -4.413 8.122 1.00 0.00 N ATOM 1482 CA SER A 92 -1.929 -3.512 9.118 1.00 0.00 C ATOM 1483 C SER A 92 -1.635 -2.057 8.764 1.00 0.00 C ATOM 1484 O SER A 92 -2.486 -1.182 8.930 1.00 0.00 O ATOM 1485 CB SER A 92 -1.371 -3.834 10.505 1.00 0.00 C ATOM 1486 OG SER A 92 -1.859 -5.079 10.975 1.00 0.00 O ATOM 0 H SER A 92 -0.742 -5.127 8.504 1.00 0.00 H new ATOM 0 HA SER A 92 -3.010 -3.655 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.282 -3.858 10.466 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.647 -3.044 11.204 1.00 0.00 H new ATOM 0 HG SER A 92 -1.330 -5.806 10.586 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.424 -1.806 8.277 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.018 -0.458 7.899 1.00 0.00 C ATOM 1494 C ILE A 93 -0.777 0.020 6.666 1.00 0.00 C ATOM 1495 O ILE A 93 -1.288 1.140 6.634 1.00 0.00 O ATOM 1496 CB ILE A 93 1.495 -0.385 7.617 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.288 -0.640 8.901 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.858 0.968 7.023 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.783 -0.487 8.728 1.00 0.00 C ATOM 0 H ILE A 93 0.292 -2.518 8.135 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.255 0.191 8.742 1.00 0.00 H new ATOM 0 HB ILE A 93 1.753 -1.158 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.947 0.051 9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.073 -1.647 9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.930 1.004 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.315 1.113 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.589 1.757 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.281 -0.682 9.678 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.137 -1.196 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.009 0.528 8.401 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.849 -0.837 5.654 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.548 -0.504 4.418 1.00 0.00 C ATOM 1513 C LEU A 94 -3.016 -0.189 4.690 1.00 0.00 C ATOM 1514 O LEU A 94 -3.521 0.862 4.293 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.440 -1.658 3.420 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.026 -2.016 2.959 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.031 -3.331 2.196 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.553 -0.901 2.101 1.00 0.00 C ATOM 0 H LEU A 94 -0.432 -1.768 5.665 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.078 0.382 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.889 -2.544 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.035 -1.409 2.541 1.00 0.00 H new ATOM 0 HG LEU A 94 0.605 -2.134 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.983 -3.570 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.404 -4.125 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.676 -3.242 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.559 -1.173 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.078 -0.751 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.593 0.021 2.681 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.695 -1.104 5.373 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.105 -0.924 5.701 1.00 0.00 C ATOM 1532 C LEU A 95 -5.314 0.341 6.528 1.00 0.00 C ATOM 1533 O LEU A 95 -6.332 1.018 6.398 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.631 -2.139 6.466 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.983 -3.364 5.620 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.277 -4.561 6.511 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.170 -3.064 4.717 1.00 0.00 C ATOM 0 H LEU A 95 -3.292 -1.978 5.710 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.659 -0.823 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.882 -2.433 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.520 -1.837 7.020 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.126 -3.607 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.525 -5.423 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.399 -4.789 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.118 -4.330 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.407 -3.946 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.032 -2.795 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.922 -2.235 4.054 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.340 0.654 7.377 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.416 1.839 8.224 1.00 0.00 C ATOM 1551 C ASN A 96 -4.144 3.104 7.416 1.00 0.00 C ATOM 1552 O ASN A 96 -4.457 4.211 7.852 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.417 1.732 9.377 1.00 0.00 C ATOM 1554 CG ASN A 96 -4.036 1.134 10.626 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -5.169 0.654 10.601 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.293 1.162 11.726 1.00 0.00 N ATOM 0 H ASN A 96 -3.489 0.104 7.497 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.425 1.900 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.571 1.119 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.025 2.723 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.657 0.775 12.597 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.359 1.570 11.700 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.559 2.931 6.235 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.246 4.058 5.365 1.00 0.00 C ATOM 1565 C ALA A 97 -4.401 4.352 4.413 1.00 0.00 C ATOM 1566 O ALA A 97 -4.517 5.459 3.886 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.971 3.782 4.582 1.00 0.00 C ATOM 0 H ALA A 97 -3.292 2.021 5.859 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.091 4.937 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.749 4.632 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.144 3.628 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.105 2.888 3.972 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.252 3.355 4.196 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.397 3.507 3.306 1.00 0.00 C ATOM 1575 C LEU A 98 -7.564 4.173 4.029 1.00 0.00 C ATOM 1576 O LEU A 98 -8.476 4.707 3.398 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.831 2.145 2.763 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.757 1.344 2.025 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.112 -0.134 2.006 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.580 1.870 0.608 1.00 0.00 C ATOM 0 H LEU A 98 -5.170 2.433 4.624 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.096 4.144 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.196 1.544 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.672 2.297 2.086 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.813 1.463 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.336 -0.688 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.188 -0.503 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.067 -0.272 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.812 1.289 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.522 1.782 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.279 2.917 0.644 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.527 4.140 5.357 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.578 4.743 6.168 1.00 0.00 C ATOM 1594 C LYS A 99 -8.324 6.234 6.366 1.00 0.00 C ATOM 1595 O LYS A 99 -9.261 7.017 6.528 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.666 4.045 7.527 1.00 0.00 C ATOM 1597 CG LYS A 99 -7.787 4.676 8.592 1.00 0.00 C ATOM 1598 CD LYS A 99 -7.881 3.924 9.910 1.00 0.00 C ATOM 1599 CE LYS A 99 -6.762 4.321 10.859 1.00 0.00 C ATOM 1600 NZ LYS A 99 -6.933 5.709 11.370 1.00 0.00 N ATOM 0 H LYS A 99 -6.779 3.701 5.895 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.524 4.620 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.701 4.059 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.384 2.999 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.752 4.687 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.084 5.714 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.845 4.126 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.837 2.851 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.734 3.626 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.804 4.239 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.150 5.941 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.934 6.375 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.835 5.782 11.882 1.00 0.00 H new ATOM 1614 N SER A 100 -7.053 6.621 6.350 1.00 0.00 N ATOM 1615 CA SER A 100 -6.676 8.018 6.530 1.00 0.00 C ATOM 1616 C SER A 100 -6.980 8.829 5.274 1.00 0.00 C ATOM 1617 O SER A 100 -7.293 10.017 5.351 1.00 0.00 O ATOM 1618 CB SER A 100 -5.190 8.128 6.874 1.00 0.00 C ATOM 1619 OG SER A 100 -4.924 9.302 7.621 1.00 0.00 O ATOM 0 H SER A 100 -6.266 5.986 6.214 1.00 0.00 H new ATOM 0 HA SER A 100 -7.263 8.423 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.880 7.252 7.444 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.601 8.136 5.957 1.00 0.00 H new ATOM 0 HG SER A 100 -3.967 9.348 7.829 1.00 0.00 H new ATOM 1625 N GLN A 101 -6.885 8.178 4.120 1.00 0.00 N ATOM 1626 CA GLN A 101 -7.150 8.838 2.847 1.00 0.00 C ATOM 1627 C GLN A 101 -8.626 8.737 2.477 1.00 0.00 C ATOM 1628 O GLN A 101 -9.086 9.386 1.538 1.00 0.00 O ATOM 1629 CB GLN A 101 -6.291 8.222 1.741 1.00 0.00 C ATOM 1630 CG GLN A 101 -6.689 6.799 1.384 1.00 0.00 C ATOM 1631 CD GLN A 101 -6.331 6.433 -0.043 1.00 0.00 C ATOM 1632 OE1 GLN A 101 -5.862 7.273 -0.812 1.00 0.00 O ATOM 1633 NE2 GLN A 101 -6.550 5.175 -0.405 1.00 0.00 N ATOM 0 H GLN A 101 -6.627 7.195 4.040 1.00 0.00 H new ATOM 0 HA GLN A 101 -6.893 9.892 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.360 8.845 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -5.247 8.231 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.197 6.106 2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -7.763 6.679 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.940 4.512 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.328 4.871 -1.353 1.00 0.00 H new ATOM 1642 N SER A 102 -9.363 7.919 3.222 1.00 0.00 N ATOM 1643 CA SER A 102 -10.786 7.730 2.970 1.00 0.00 C ATOM 1644 C SER A 102 -11.580 8.967 3.379 1.00 0.00 C ATOM 1645 O SER A 102 -12.722 9.155 2.957 1.00 0.00 O ATOM 1646 CB SER A 102 -11.302 6.505 3.728 1.00 0.00 C ATOM 1647 OG SER A 102 -12.648 6.224 3.386 1.00 0.00 O ATOM 0 H SER A 102 -8.998 7.377 4.005 1.00 0.00 H new ATOM 0 HA SER A 102 -10.922 7.570 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.677 5.642 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.225 6.678 4.801 1.00 0.00 H new ATOM 0 HG SER A 102 -13.117 7.062 3.189 1.00 0.00 H new ATOM 1653 N LEU A 103 -10.967 9.809 4.204 1.00 0.00 N ATOM 1654 CA LEU A 103 -11.614 11.029 4.673 1.00 0.00 C ATOM 1655 C LEU A 103 -11.654 12.082 3.570 1.00 0.00 C ATOM 1656 O LEU A 103 -10.645 12.356 2.920 1.00 0.00 O ATOM 1657 CB LEU A 103 -10.880 11.583 5.895 1.00 0.00 C ATOM 1658 CG LEU A 103 -10.640 10.595 7.038 1.00 0.00 C ATOM 1659 CD1 LEU A 103 -9.604 11.142 8.007 1.00 0.00 C ATOM 1660 CD2 LEU A 103 -11.943 10.291 7.763 1.00 0.00 C ATOM 0 H LEU A 103 -10.022 9.669 4.562 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.638 10.782 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.915 11.972 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.449 12.427 6.284 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.258 9.666 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.446 10.426 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.664 11.308 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.958 12.085 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.753 9.587 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.355 11.213 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.656 9.855 7.063 1.00 0.00 H new ATOM 1672 N THR A 104 -12.828 12.672 3.364 1.00 0.00 N ATOM 1673 CA THR A 104 -13.000 13.695 2.340 1.00 0.00 C ATOM 1674 C THR A 104 -11.835 14.679 2.346 1.00 0.00 C ATOM 1675 O THR A 104 -11.584 15.353 3.345 1.00 0.00 O ATOM 1676 CB THR A 104 -14.315 14.473 2.539 1.00 0.00 C ATOM 1677 OG1 THR A 104 -15.426 13.570 2.517 1.00 0.00 O ATOM 1678 CG2 THR A 104 -14.489 15.526 1.456 1.00 0.00 C ATOM 0 H THR A 104 -13.674 12.459 3.893 1.00 0.00 H new ATOM 0 HA THR A 104 -13.033 13.180 1.380 1.00 0.00 H new ATOM 0 HB THR A 104 -14.273 14.973 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.258 14.072 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 104 -15.424 16.062 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.656 16.228 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 104 -14.511 15.043 0.479 1.00 0.00 H new ATOM 1686 N SER A 105 -11.128 14.757 1.223 1.00 0.00 N ATOM 1687 CA SER A 105 -9.987 15.657 1.100 1.00 0.00 C ATOM 1688 C SER A 105 -10.174 16.614 -0.074 1.00 0.00 C ATOM 1689 O SER A 105 -10.948 16.342 -0.992 1.00 0.00 O ATOM 1690 CB SER A 105 -8.696 14.856 0.919 1.00 0.00 C ATOM 1691 OG SER A 105 -7.579 15.569 1.422 1.00 0.00 O ATOM 0 H SER A 105 -11.325 14.208 0.386 1.00 0.00 H new ATOM 0 HA SER A 105 -9.917 16.243 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.783 13.899 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.546 14.637 -0.138 1.00 0.00 H new ATOM 0 HG SER A 105 -6.767 15.035 1.296 1.00 0.00 H new ATOM 1697 N GLN A 106 -9.460 17.734 -0.035 1.00 0.00 N ATOM 1698 CA GLN A 106 -9.548 18.732 -1.095 1.00 0.00 C ATOM 1699 C GLN A 106 -8.896 18.224 -2.377 1.00 0.00 C ATOM 1700 O GLN A 106 -7.696 18.402 -2.587 1.00 0.00 O ATOM 1701 CB GLN A 106 -8.883 20.036 -0.653 1.00 0.00 C ATOM 1702 CG GLN A 106 -9.429 21.267 -1.358 1.00 0.00 C ATOM 1703 CD GLN A 106 -9.511 21.091 -2.861 1.00 0.00 C ATOM 1704 OE1 GLN A 106 -8.511 21.218 -3.568 1.00 0.00 O ATOM 1705 NE2 GLN A 106 -10.706 20.795 -3.358 1.00 0.00 N ATOM 0 H GLN A 106 -8.815 17.973 0.718 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.603 18.920 -1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.015 20.155 0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.811 19.968 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.421 21.494 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.794 22.123 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.508 20.699 -2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.822 20.663 -4.363 1.00 0.00 H new ATOM 1714 N SER A 107 -9.694 17.590 -3.230 1.00 0.00 N ATOM 1715 CA SER A 107 -9.193 17.052 -4.489 1.00 0.00 C ATOM 1716 C SER A 107 -10.344 16.711 -5.430 1.00 0.00 C ATOM 1717 O SER A 107 -11.395 16.239 -4.996 1.00 0.00 O ATOM 1718 CB SER A 107 -8.342 15.807 -4.234 1.00 0.00 C ATOM 1719 OG SER A 107 -9.127 14.752 -3.705 1.00 0.00 O ATOM 0 H SER A 107 -10.690 17.436 -3.072 1.00 0.00 H new ATOM 0 HA SER A 107 -8.574 17.815 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.875 15.485 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.537 16.049 -3.540 1.00 0.00 H new ATOM 0 HG SER A 107 -8.560 13.967 -3.552 1.00 0.00 H new ATOM 1725 N GLN A 108 -10.138 16.953 -6.721 1.00 0.00 N ATOM 1726 CA GLN A 108 -11.158 16.673 -7.723 1.00 0.00 C ATOM 1727 C GLN A 108 -11.437 15.176 -7.812 1.00 0.00 C ATOM 1728 O GLN A 108 -10.527 14.357 -7.685 1.00 0.00 O ATOM 1729 CB GLN A 108 -10.721 17.204 -9.089 1.00 0.00 C ATOM 1730 CG GLN A 108 -9.615 16.385 -9.735 1.00 0.00 C ATOM 1731 CD GLN A 108 -8.235 16.781 -9.249 1.00 0.00 C ATOM 1732 OE1 GLN A 108 -7.821 16.409 -8.151 1.00 0.00 O ATOM 1733 NE2 GLN A 108 -7.514 17.539 -10.067 1.00 0.00 N ATOM 0 H GLN A 108 -9.273 17.342 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.076 17.178 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -11.584 17.223 -9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.381 18.234 -8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.781 15.328 -9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -9.663 16.506 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.897 17.824 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.577 17.836 -9.794 1.00 0.00 H new ATOM 1742 N ALA A 109 -12.700 14.826 -8.032 1.00 0.00 N ATOM 1743 CA ALA A 109 -13.098 13.428 -8.139 1.00 0.00 C ATOM 1744 C ALA A 109 -14.442 13.293 -8.847 1.00 0.00 C ATOM 1745 O ALA A 109 -15.372 14.054 -8.584 1.00 0.00 O ATOM 1746 CB ALA A 109 -13.160 12.789 -6.760 1.00 0.00 C ATOM 0 H ALA A 109 -13.465 15.492 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.348 12.907 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -13.459 11.745 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.179 12.844 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -13.887 13.319 -6.146 1.00 0.00 H new ATOM 1752 N SER A 110 -14.536 12.319 -9.747 1.00 0.00 N ATOM 1753 CA SER A 110 -15.765 12.087 -10.497 1.00 0.00 C ATOM 1754 C SER A 110 -16.240 10.647 -10.329 1.00 0.00 C ATOM 1755 O SER A 110 -15.436 9.732 -10.157 1.00 0.00 O ATOM 1756 CB SER A 110 -15.549 12.394 -11.980 1.00 0.00 C ATOM 1757 OG SER A 110 -14.663 11.460 -12.571 1.00 0.00 O ATOM 0 H SER A 110 -13.776 11.678 -9.974 1.00 0.00 H new ATOM 0 HA SER A 110 -16.532 12.753 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.506 12.373 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 110 -15.148 13.401 -12.091 1.00 0.00 H new ATOM 0 HG SER A 110 -14.543 11.677 -13.519 1.00 0.00 H new ATOM 1763 N GLY A 111 -17.555 10.454 -10.379 1.00 0.00 N ATOM 1764 CA GLY A 111 -18.116 9.124 -10.231 1.00 0.00 C ATOM 1765 C GLY A 111 -17.795 8.506 -8.884 1.00 0.00 C ATOM 1766 O GLY A 111 -16.850 7.730 -8.743 1.00 0.00 O ATOM 0 H GLY A 111 -18.241 11.195 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -19.198 9.173 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -17.732 8.481 -11.023 1.00 0.00 H new ATOM 1770 N PRO A 112 -18.593 8.854 -7.864 1.00 0.00 N ATOM 1771 CA PRO A 112 -18.408 8.340 -6.504 1.00 0.00 C ATOM 1772 C PRO A 112 -18.748 6.858 -6.392 1.00 0.00 C ATOM 1773 O PRO A 112 -18.677 6.274 -5.311 1.00 0.00 O ATOM 1774 CB PRO A 112 -19.385 9.176 -5.673 1.00 0.00 C ATOM 1775 CG PRO A 112 -20.436 9.602 -6.639 1.00 0.00 C ATOM 1776 CD PRO A 112 -19.739 9.774 -7.960 1.00 0.00 C ATOM 0 HA PRO A 112 -17.371 8.419 -6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.811 8.592 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.888 10.036 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -21.227 8.855 -6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.904 10.533 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.391 9.517 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -19.416 10.804 -8.113 1.00 0.00 H new ATOM 1784 N SER A 113 -19.116 6.254 -7.518 1.00 0.00 N ATOM 1785 CA SER A 113 -19.469 4.839 -7.546 1.00 0.00 C ATOM 1786 C SER A 113 -18.626 4.089 -8.572 1.00 0.00 C ATOM 1787 O SER A 113 -18.331 4.608 -9.648 1.00 0.00 O ATOM 1788 CB SER A 113 -20.955 4.670 -7.867 1.00 0.00 C ATOM 1789 OG SER A 113 -21.297 5.341 -9.067 1.00 0.00 O ATOM 0 H SER A 113 -19.177 6.722 -8.422 1.00 0.00 H new ATOM 0 HA SER A 113 -19.267 4.419 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 113 -21.192 3.610 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 113 -21.555 5.060 -7.045 1.00 0.00 H new ATOM 0 HG SER A 113 -22.251 5.216 -9.251 1.00 0.00 H new ATOM 1795 N SER A 114 -18.242 2.863 -8.231 1.00 0.00 N ATOM 1796 CA SER A 114 -17.430 2.041 -9.120 1.00 0.00 C ATOM 1797 C SER A 114 -18.309 1.256 -10.088 1.00 0.00 C ATOM 1798 O SER A 114 -18.053 1.225 -11.291 1.00 0.00 O ATOM 1799 CB SER A 114 -16.561 1.079 -8.307 1.00 0.00 C ATOM 1800 OG SER A 114 -15.623 0.415 -9.136 1.00 0.00 O ATOM 0 H SER A 114 -18.480 2.417 -7.345 1.00 0.00 H new ATOM 0 HA SER A 114 -16.785 2.702 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 114 -16.036 1.630 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.194 0.345 -7.808 1.00 0.00 H new ATOM 0 HG SER A 114 -15.079 -0.193 -8.593 1.00 0.00 H new ATOM 1806 N GLY A 115 -19.348 0.621 -9.553 1.00 0.00 N ATOM 1807 CA GLY A 115 -20.250 -0.156 -10.383 1.00 0.00 C ATOM 1808 C GLY A 115 -20.525 -1.532 -9.810 1.00 0.00 C ATOM 1809 O GLY A 115 -21.604 -1.785 -9.276 1.00 0.00 O ATOM 0 H GLY A 115 -19.581 0.631 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -21.191 0.383 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -19.822 -0.260 -11.380 1.00 0.00 H new TER 1813 GLY A 115