USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 844 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 68 ASN : amide:sc= 0.0582 K(o=-5.4,f=-4.8) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -5.47! C(o=-5.4!,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -151:sc= 0.013 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 120:sc= -0.394 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 22:sc= 0.291 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= -1.05 (180deg=-1.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -53:sc= 0.408 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 74:sc= 0.00877 USER MOD Single : A 50 SER OG : rot 24:sc= 0.0471 USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= -0.106 (180deg=-0.661) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 24:sc= -4.9! USER MOD Single : A 64 LYS NZ :NH3+ -128:sc= -0.373 (180deg=-1.6) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -5.25! C(o=-5.2!,f=-7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= 0.666 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.0078) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 93 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-1.9) USER MOD Single : A 96 ASN : amide:sc=-0.00806 X(o=-0.0081,f=0) USER MOD Single : A 97 SER OG : rot -147:sc= 0.958 USER MOD Single : A 100 SER OG : rot 21:sc= 0.823 USER MOD Single : A 102 MET CE :methyl 160:sc= -0.0594 (180deg=-0.86) USER MOD Single : A 105 GLN : amide:sc= -6.91! C(o=-6.9!,f=-6.1!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.233 USER MOD Single : A 111 SER OG : rot 38:sc= 0.355 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 29:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.181 -4.400 6.951 1.00 0.00 N ATOM 2 CA GLY A 1 -13.161 -5.256 6.374 1.00 0.00 C ATOM 3 C GLY A 1 -12.407 -6.049 7.423 1.00 0.00 C ATOM 4 O GLY A 1 -11.624 -5.489 8.190 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.954 -4.271 6.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.554 -4.839 7.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.767 -3.475 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.626 -5.944 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.457 -4.646 5.809 1.00 0.00 H new ATOM 8 N SER A 2 -12.645 -7.357 7.458 1.00 0.00 N ATOM 9 CA SER A 2 -11.986 -8.228 8.424 1.00 0.00 C ATOM 10 C SER A 2 -11.347 -9.425 7.729 1.00 0.00 C ATOM 11 O SER A 2 -11.920 -9.998 6.803 1.00 0.00 O ATOM 12 CB SER A 2 -12.989 -8.709 9.475 1.00 0.00 C ATOM 13 OG SER A 2 -14.105 -9.336 8.866 1.00 0.00 O ATOM 0 H SER A 2 -13.289 -7.836 6.829 1.00 0.00 H new ATOM 0 HA SER A 2 -11.201 -7.655 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.501 -9.408 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.326 -7.863 10.075 1.00 0.00 H new ATOM 0 HG SER A 2 -14.730 -9.636 9.559 1.00 0.00 H new ATOM 19 N SER A 3 -10.154 -9.797 8.182 1.00 0.00 N ATOM 20 CA SER A 3 -9.433 -10.925 7.602 1.00 0.00 C ATOM 21 C SER A 3 -9.008 -11.913 8.684 1.00 0.00 C ATOM 22 O SER A 3 -8.608 -11.517 9.779 1.00 0.00 O ATOM 23 CB SER A 3 -8.205 -10.431 6.834 1.00 0.00 C ATOM 24 OG SER A 3 -7.496 -11.513 6.258 1.00 0.00 O ATOM 0 H SER A 3 -9.666 -9.334 8.949 1.00 0.00 H new ATOM 0 HA SER A 3 -10.103 -11.437 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.516 -9.738 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.549 -9.879 7.507 1.00 0.00 H new ATOM 0 HG SER A 3 -7.467 -11.404 5.285 1.00 0.00 H new ATOM 30 N GLY A 4 -9.097 -13.201 8.370 1.00 0.00 N ATOM 31 CA GLY A 4 -8.718 -14.227 9.324 1.00 0.00 C ATOM 32 C GLY A 4 -7.712 -15.206 8.754 1.00 0.00 C ATOM 33 O GLY A 4 -8.087 -16.229 8.182 1.00 0.00 O ATOM 0 H GLY A 4 -9.425 -13.553 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.298 -13.755 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.608 -14.770 9.642 1.00 0.00 H new ATOM 37 N SER A 5 -6.429 -14.892 8.909 1.00 0.00 N ATOM 38 CA SER A 5 -5.366 -15.750 8.400 1.00 0.00 C ATOM 39 C SER A 5 -4.629 -16.439 9.544 1.00 0.00 C ATOM 40 O SER A 5 -4.751 -16.042 10.703 1.00 0.00 O ATOM 41 CB SER A 5 -4.380 -14.933 7.563 1.00 0.00 C ATOM 42 OG SER A 5 -3.406 -15.769 6.962 1.00 0.00 O ATOM 0 H SER A 5 -6.101 -14.050 9.383 1.00 0.00 H new ATOM 0 HA SER A 5 -5.820 -16.515 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.920 -14.385 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.889 -14.193 8.194 1.00 0.00 H new ATOM 0 HG SER A 5 -2.789 -15.223 6.431 1.00 0.00 H new ATOM 48 N SER A 6 -3.866 -17.474 9.210 1.00 0.00 N ATOM 49 CA SER A 6 -3.112 -18.223 10.209 1.00 0.00 C ATOM 50 C SER A 6 -1.733 -17.605 10.425 1.00 0.00 C ATOM 51 O SER A 6 -1.315 -17.374 11.558 1.00 0.00 O ATOM 52 CB SER A 6 -2.969 -19.684 9.782 1.00 0.00 C ATOM 53 OG SER A 6 -2.627 -20.507 10.884 1.00 0.00 O ATOM 0 H SER A 6 -3.753 -17.814 8.255 1.00 0.00 H new ATOM 0 HA SER A 6 -3.661 -18.180 11.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.904 -20.031 9.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.203 -19.767 9.011 1.00 0.00 H new ATOM 0 HG SER A 6 -2.543 -21.436 10.585 1.00 0.00 H new ATOM 59 N GLY A 7 -1.033 -17.342 9.326 1.00 0.00 N ATOM 60 CA GLY A 7 0.291 -16.755 9.415 1.00 0.00 C ATOM 61 C GLY A 7 1.271 -17.384 8.444 1.00 0.00 C ATOM 62 O GLY A 7 2.283 -17.954 8.855 1.00 0.00 O ATOM 0 H GLY A 7 -1.359 -17.525 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.225 -15.685 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.668 -16.869 10.431 1.00 0.00 H new ATOM 66 N ILE A 8 0.971 -17.283 7.153 1.00 0.00 N ATOM 67 CA ILE A 8 1.833 -17.847 6.123 1.00 0.00 C ATOM 68 C ILE A 8 3.225 -17.227 6.170 1.00 0.00 C ATOM 69 O ILE A 8 3.407 -16.080 6.577 1.00 0.00 O ATOM 70 CB ILE A 8 1.238 -17.641 4.717 1.00 0.00 C ATOM 71 CG1 ILE A 8 1.029 -16.150 4.442 1.00 0.00 C ATOM 72 CG2 ILE A 8 -0.073 -18.399 4.580 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.237 -15.472 3.834 1.00 0.00 C ATOM 0 H ILE A 8 0.137 -16.816 6.796 1.00 0.00 H new ATOM 0 HA ILE A 8 1.908 -18.916 6.324 1.00 0.00 H new ATOM 0 HB ILE A 8 1.940 -18.033 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.178 -16.028 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.773 -15.649 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.481 -18.243 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.104 -19.463 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.783 -18.035 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.017 -14.418 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.085 -15.562 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.481 -15.947 2.884 1.00 0.00 H new ATOM 85 N PRO A 9 4.232 -18.003 5.742 1.00 0.00 N ATOM 86 CA PRO A 9 5.627 -17.549 5.723 1.00 0.00 C ATOM 87 C PRO A 9 5.874 -16.478 4.668 1.00 0.00 C ATOM 88 O PRO A 9 5.491 -16.633 3.509 1.00 0.00 O ATOM 89 CB PRO A 9 6.409 -18.822 5.386 1.00 0.00 C ATOM 90 CG PRO A 9 5.438 -19.679 4.649 1.00 0.00 C ATOM 91 CD PRO A 9 4.088 -19.380 5.243 1.00 0.00 C ATOM 0 HA PRO A 9 5.919 -17.090 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.284 -18.599 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.768 -19.317 6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.453 -19.457 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.687 -20.734 4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.296 -19.457 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.840 -20.074 6.046 1.00 0.00 H new ATOM 99 N GLY A 10 6.518 -15.388 5.077 1.00 0.00 N ATOM 100 CA GLY A 10 6.805 -14.306 4.153 1.00 0.00 C ATOM 101 C GLY A 10 8.010 -14.593 3.281 1.00 0.00 C ATOM 102 O GLY A 10 9.152 -14.455 3.721 1.00 0.00 O ATOM 0 H GLY A 10 6.846 -15.235 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.935 -14.133 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.978 -13.388 4.715 1.00 0.00 H new ATOM 106 N SER A 11 7.757 -14.994 2.039 1.00 0.00 N ATOM 107 CA SER A 11 8.831 -15.307 1.103 1.00 0.00 C ATOM 108 C SER A 11 9.012 -14.182 0.088 1.00 0.00 C ATOM 109 O SER A 11 8.056 -13.528 -0.330 1.00 0.00 O ATOM 110 CB SER A 11 8.537 -16.621 0.378 1.00 0.00 C ATOM 111 OG SER A 11 7.375 -16.511 -0.426 1.00 0.00 O ATOM 0 H SER A 11 6.818 -15.110 1.658 1.00 0.00 H new ATOM 0 HA SER A 11 9.755 -15.413 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.389 -16.895 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.404 -17.420 1.107 1.00 0.00 H new ATOM 0 HG SER A 11 7.210 -17.363 -0.880 1.00 0.00 H new ATOM 117 N PRO A 12 10.269 -13.950 -0.318 1.00 0.00 N ATOM 118 CA PRO A 12 10.607 -12.905 -1.289 1.00 0.00 C ATOM 119 C PRO A 12 10.109 -13.235 -2.693 1.00 0.00 C ATOM 120 O PRO A 12 10.523 -14.228 -3.291 1.00 0.00 O ATOM 121 CB PRO A 12 12.136 -12.872 -1.258 1.00 0.00 C ATOM 122 CG PRO A 12 12.535 -14.235 -0.806 1.00 0.00 C ATOM 123 CD PRO A 12 11.457 -14.690 0.137 1.00 0.00 C ATOM 0 HA PRO A 12 10.142 -11.951 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.547 -12.645 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.502 -12.105 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.626 -14.916 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.505 -14.213 -0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.304 -15.768 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.704 -14.455 1.172 1.00 0.00 H new ATOM 131 N PHE A 13 9.219 -12.396 -3.213 1.00 0.00 N ATOM 132 CA PHE A 13 8.666 -12.599 -4.546 1.00 0.00 C ATOM 133 C PHE A 13 7.908 -11.361 -5.016 1.00 0.00 C ATOM 134 O PHE A 13 7.157 -10.751 -4.253 1.00 0.00 O ATOM 135 CB PHE A 13 7.735 -13.813 -4.555 1.00 0.00 C ATOM 136 CG PHE A 13 7.207 -14.154 -5.919 1.00 0.00 C ATOM 137 CD1 PHE A 13 7.993 -14.848 -6.827 1.00 0.00 C ATOM 138 CD2 PHE A 13 5.927 -13.782 -6.295 1.00 0.00 C ATOM 139 CE1 PHE A 13 7.510 -15.164 -8.083 1.00 0.00 C ATOM 140 CE2 PHE A 13 5.439 -14.096 -7.549 1.00 0.00 C ATOM 141 CZ PHE A 13 6.232 -14.787 -8.445 1.00 0.00 C ATOM 0 H PHE A 13 8.866 -11.569 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 13 9.494 -12.778 -5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.271 -14.674 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.895 -13.622 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.994 -15.145 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.303 -13.240 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.132 -15.705 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.438 -13.801 -7.829 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.853 -15.032 -9.426 1.00 0.00 H new ATOM 151 N THR A 14 8.112 -10.991 -6.276 1.00 0.00 N ATOM 152 CA THR A 14 7.453 -9.825 -6.848 1.00 0.00 C ATOM 153 C THR A 14 6.255 -10.233 -7.699 1.00 0.00 C ATOM 154 O THR A 14 6.379 -10.429 -8.908 1.00 0.00 O ATOM 155 CB THR A 14 8.423 -8.996 -7.711 1.00 0.00 C ATOM 156 OG1 THR A 14 9.599 -8.679 -6.958 1.00 0.00 O ATOM 157 CG2 THR A 14 7.760 -7.713 -8.190 1.00 0.00 C ATOM 0 H THR A 14 8.730 -11.484 -6.921 1.00 0.00 H new ATOM 0 HA THR A 14 7.111 -9.214 -6.012 1.00 0.00 H new ATOM 0 HB THR A 14 8.699 -9.590 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.212 -8.153 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.464 -7.144 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.882 -7.958 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.459 -7.116 -7.329 1.00 0.00 H new ATOM 165 N ALA A 15 5.096 -10.358 -7.061 1.00 0.00 N ATOM 166 CA ALA A 15 3.876 -10.740 -7.761 1.00 0.00 C ATOM 167 C ALA A 15 3.681 -9.904 -9.021 1.00 0.00 C ATOM 168 O ALA A 15 4.426 -8.955 -9.271 1.00 0.00 O ATOM 169 CB ALA A 15 2.673 -10.599 -6.841 1.00 0.00 C ATOM 0 H ALA A 15 4.976 -10.200 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 15 3.971 -11.784 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.769 -10.888 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.802 -11.245 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.585 -9.563 -6.513 1.00 0.00 H new ATOM 175 N LYS A 16 2.676 -10.261 -9.813 1.00 0.00 N ATOM 176 CA LYS A 16 2.382 -9.543 -11.048 1.00 0.00 C ATOM 177 C LYS A 16 1.231 -8.562 -10.846 1.00 0.00 C ATOM 178 O LYS A 16 0.115 -8.961 -10.512 1.00 0.00 O ATOM 179 CB LYS A 16 2.035 -10.530 -12.165 1.00 0.00 C ATOM 180 CG LYS A 16 3.219 -11.357 -12.635 1.00 0.00 C ATOM 181 CD LYS A 16 2.832 -12.288 -13.772 1.00 0.00 C ATOM 182 CE LYS A 16 2.769 -11.550 -15.100 1.00 0.00 C ATOM 183 NZ LYS A 16 2.758 -12.489 -16.256 1.00 0.00 N ATOM 0 H LYS A 16 2.051 -11.044 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 16 3.271 -8.980 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.250 -11.201 -11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.628 -9.978 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.020 -10.694 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.610 -11.941 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.555 -13.101 -13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.863 -12.740 -13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.874 -10.929 -15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.625 -10.880 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.715 -11.947 -17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.624 -13.065 -16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.928 -13.112 -16.190 1.00 0.00 H new ATOM 197 N ILE A 17 1.510 -7.280 -11.052 1.00 0.00 N ATOM 198 CA ILE A 17 0.498 -6.243 -10.895 1.00 0.00 C ATOM 199 C ILE A 17 -0.559 -6.336 -11.991 1.00 0.00 C ATOM 200 O ILE A 17 -0.265 -6.146 -13.171 1.00 0.00 O ATOM 201 CB ILE A 17 1.123 -4.836 -10.919 1.00 0.00 C ATOM 202 CG1 ILE A 17 0.055 -3.784 -11.227 1.00 0.00 C ATOM 203 CG2 ILE A 17 2.247 -4.774 -11.943 1.00 0.00 C ATOM 204 CD1 ILE A 17 0.355 -2.427 -10.631 1.00 0.00 C ATOM 0 H ILE A 17 2.429 -6.934 -11.328 1.00 0.00 H new ATOM 0 HA ILE A 17 0.029 -6.406 -9.925 1.00 0.00 H new ATOM 0 HB ILE A 17 1.541 -4.623 -9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.044 -3.683 -12.308 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.907 -4.133 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.679 -3.773 -11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.017 -5.500 -11.683 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.851 -5.004 -12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.444 -1.732 -10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.424 -2.513 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.301 -2.057 -11.027 1.00 0.00 H new ATOM 216 N THR A 18 -1.794 -6.630 -11.591 1.00 0.00 N ATOM 217 CA THR A 18 -2.895 -6.747 -12.539 1.00 0.00 C ATOM 218 C THR A 18 -4.167 -6.116 -11.984 1.00 0.00 C ATOM 219 O THR A 18 -4.473 -6.251 -10.800 1.00 0.00 O ATOM 220 CB THR A 18 -3.178 -8.220 -12.891 1.00 0.00 C ATOM 221 OG1 THR A 18 -2.000 -8.830 -13.431 1.00 0.00 O ATOM 222 CG2 THR A 18 -4.316 -8.327 -13.893 1.00 0.00 C ATOM 0 H THR A 18 -2.055 -6.791 -10.618 1.00 0.00 H new ATOM 0 HA THR A 18 -2.593 -6.216 -13.442 1.00 0.00 H new ATOM 0 HB THR A 18 -3.469 -8.740 -11.978 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.188 -9.766 -13.651 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.498 -9.376 -14.126 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.218 -7.888 -13.467 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.049 -7.793 -14.805 1.00 0.00 H new ATOM 230 N ASP A 19 -4.904 -5.426 -12.848 1.00 0.00 N ATOM 231 CA ASP A 19 -6.145 -4.774 -12.444 1.00 0.00 C ATOM 232 C ASP A 19 -7.349 -5.650 -12.772 1.00 0.00 C ATOM 233 O ASP A 19 -7.275 -6.530 -13.631 1.00 0.00 O ATOM 234 CB ASP A 19 -6.281 -3.417 -13.136 1.00 0.00 C ATOM 235 CG ASP A 19 -7.203 -2.475 -12.386 1.00 0.00 C ATOM 236 OD1 ASP A 19 -8.433 -2.586 -12.562 1.00 0.00 O ATOM 237 OD2 ASP A 19 -6.692 -1.626 -11.625 1.00 0.00 O ATOM 0 H ASP A 19 -4.664 -5.304 -13.832 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.113 -4.621 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.296 -2.959 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.661 -3.564 -14.147 1.00 0.00 H new ATOM 242 N ASP A 20 -8.458 -5.403 -12.084 1.00 0.00 N ATOM 243 CA ASP A 20 -9.680 -6.169 -12.302 1.00 0.00 C ATOM 244 C ASP A 20 -10.912 -5.337 -11.958 1.00 0.00 C ATOM 245 O ASP A 20 -10.842 -4.413 -11.147 1.00 0.00 O ATOM 246 CB ASP A 20 -9.663 -7.448 -11.464 1.00 0.00 C ATOM 247 CG ASP A 20 -8.692 -8.481 -12.003 1.00 0.00 C ATOM 248 OD1 ASP A 20 -9.009 -9.113 -13.033 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.614 -8.655 -11.397 1.00 0.00 O ATOM 0 H ASP A 20 -8.536 -4.678 -11.370 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.727 -6.437 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.394 -7.202 -10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.666 -7.875 -11.438 1.00 0.00 H new ATOM 254 N SER A 21 -12.039 -5.672 -12.579 1.00 0.00 N ATOM 255 CA SER A 21 -13.284 -4.952 -12.343 1.00 0.00 C ATOM 256 C SER A 21 -13.442 -4.611 -10.863 1.00 0.00 C ATOM 257 O SER A 21 -13.807 -3.490 -10.509 1.00 0.00 O ATOM 258 CB SER A 21 -14.477 -5.787 -12.815 1.00 0.00 C ATOM 259 OG SER A 21 -15.695 -5.088 -12.623 1.00 0.00 O ATOM 0 H SER A 21 -12.115 -6.437 -13.249 1.00 0.00 H new ATOM 0 HA SER A 21 -13.251 -4.022 -12.911 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.358 -6.034 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.505 -6.730 -12.268 1.00 0.00 H new ATOM 0 HG SER A 21 -16.442 -5.641 -12.933 1.00 0.00 H new ATOM 265 N ARG A 22 -13.164 -5.587 -10.005 1.00 0.00 N ATOM 266 CA ARG A 22 -13.275 -5.391 -8.564 1.00 0.00 C ATOM 267 C ARG A 22 -12.748 -4.018 -8.160 1.00 0.00 C ATOM 268 O ARG A 22 -11.948 -3.414 -8.875 1.00 0.00 O ATOM 269 CB ARG A 22 -12.507 -6.485 -7.819 1.00 0.00 C ATOM 270 CG ARG A 22 -13.083 -7.878 -8.017 1.00 0.00 C ATOM 271 CD ARG A 22 -14.293 -8.110 -7.126 1.00 0.00 C ATOM 272 NE ARG A 22 -14.993 -9.347 -7.467 1.00 0.00 N ATOM 273 CZ ARG A 22 -14.519 -10.558 -7.195 1.00 0.00 C ATOM 274 NH1 ARG A 22 -13.353 -10.695 -6.582 1.00 0.00 N ATOM 275 NH2 ARG A 22 -15.215 -11.635 -7.537 1.00 0.00 N ATOM 0 H ARG A 22 -12.861 -6.521 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.329 -5.449 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.469 -6.480 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.501 -6.252 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.367 -8.011 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.319 -8.624 -7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.974 -8.149 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.979 -7.268 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.894 -9.277 -7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.816 -9.869 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.992 -11.626 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.114 -11.533 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.851 -12.565 -7.328 1.00 0.00 H new ATOM 289 N ARG A 23 -13.201 -3.531 -7.009 1.00 0.00 N ATOM 290 CA ARG A 23 -12.777 -2.229 -6.510 1.00 0.00 C ATOM 291 C ARG A 23 -11.656 -2.378 -5.486 1.00 0.00 C ATOM 292 O ARG A 23 -10.646 -1.676 -5.549 1.00 0.00 O ATOM 293 CB ARG A 23 -13.960 -1.489 -5.884 1.00 0.00 C ATOM 294 CG ARG A 23 -15.094 -1.218 -6.859 1.00 0.00 C ATOM 295 CD ARG A 23 -16.052 -2.396 -6.941 1.00 0.00 C ATOM 296 NE ARG A 23 -17.398 -1.981 -7.328 1.00 0.00 N ATOM 297 CZ ARG A 23 -18.182 -1.229 -6.565 1.00 0.00 C ATOM 298 NH1 ARG A 23 -17.757 -0.810 -5.381 1.00 0.00 N ATOM 299 NH2 ARG A 23 -19.395 -0.893 -6.986 1.00 0.00 N ATOM 0 H ARG A 23 -13.862 -4.019 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.400 -1.650 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.343 -2.075 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.610 -0.541 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.638 -0.326 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.684 -1.012 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.675 -3.121 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.091 -2.899 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.755 -2.286 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.825 -1.065 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.362 -0.232 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.726 -1.213 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.997 -0.315 -6.399 1.00 0.00 H new ATOM 313 N CYS A 24 -11.842 -3.295 -4.543 1.00 0.00 N ATOM 314 CA CYS A 24 -10.847 -3.536 -3.503 1.00 0.00 C ATOM 315 C CYS A 24 -9.439 -3.535 -4.088 1.00 0.00 C ATOM 316 O CYS A 24 -9.185 -4.151 -5.123 1.00 0.00 O ATOM 317 CB CYS A 24 -11.122 -4.868 -2.804 1.00 0.00 C ATOM 318 SG CYS A 24 -10.852 -6.319 -3.849 1.00 0.00 S ATOM 0 H CYS A 24 -12.672 -3.884 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.918 -2.730 -2.773 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.483 -4.943 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -12.153 -4.875 -2.451 1.00 0.00 H new ATOM 0 HG CYS A 24 -10.059 -6.005 -4.830 1.00 0.00 H new ATOM 324 N SER A 25 -8.526 -2.838 -3.419 1.00 0.00 N ATOM 325 CA SER A 25 -7.144 -2.752 -3.875 1.00 0.00 C ATOM 326 C SER A 25 -6.384 -4.033 -3.549 1.00 0.00 C ATOM 327 O SER A 25 -6.682 -4.712 -2.566 1.00 0.00 O ATOM 328 CB SER A 25 -6.445 -1.553 -3.230 1.00 0.00 C ATOM 329 OG SER A 25 -6.950 -0.333 -3.743 1.00 0.00 O ATOM 0 H SER A 25 -8.719 -2.325 -2.559 1.00 0.00 H new ATOM 0 HA SER A 25 -7.152 -2.620 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.586 -1.583 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.372 -1.612 -3.413 1.00 0.00 H new ATOM 0 HG SER A 25 -6.489 0.418 -3.314 1.00 0.00 H new ATOM 335 N GLN A 26 -5.400 -4.359 -4.381 1.00 0.00 N ATOM 336 CA GLN A 26 -4.596 -5.559 -4.182 1.00 0.00 C ATOM 337 C GLN A 26 -3.136 -5.201 -3.926 1.00 0.00 C ATOM 338 O GLN A 26 -2.443 -4.705 -4.815 1.00 0.00 O ATOM 339 CB GLN A 26 -4.703 -6.478 -5.401 1.00 0.00 C ATOM 340 CG GLN A 26 -4.491 -7.947 -5.076 1.00 0.00 C ATOM 341 CD GLN A 26 -4.770 -8.853 -6.260 1.00 0.00 C ATOM 342 OE1 GLN A 26 -5.302 -8.414 -7.279 1.00 0.00 O ATOM 343 NE2 GLN A 26 -4.411 -10.125 -6.130 1.00 0.00 N ATOM 0 H GLN A 26 -5.140 -3.809 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.981 -6.082 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.686 -6.353 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.968 -6.169 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.464 -8.097 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.140 -8.229 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.973 -10.445 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.574 -10.781 -6.894 1.00 0.00 H new ATOM 352 N VAL A 27 -2.674 -5.456 -2.706 1.00 0.00 N ATOM 353 CA VAL A 27 -1.296 -5.161 -2.333 1.00 0.00 C ATOM 354 C VAL A 27 -0.587 -6.409 -1.818 1.00 0.00 C ATOM 355 O VAL A 27 -1.228 -7.392 -1.445 1.00 0.00 O ATOM 356 CB VAL A 27 -1.229 -4.064 -1.254 1.00 0.00 C ATOM 357 CG1 VAL A 27 0.192 -3.540 -1.112 1.00 0.00 C ATOM 358 CG2 VAL A 27 -2.192 -2.934 -1.583 1.00 0.00 C ATOM 0 H VAL A 27 -3.234 -5.866 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.794 -4.806 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.527 -4.499 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.219 -2.766 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.854 -4.357 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.522 -3.121 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.131 -2.168 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.927 -2.499 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.209 -3.324 -1.628 1.00 0.00 H new ATOM 368 N LYS A 28 0.741 -6.364 -1.802 1.00 0.00 N ATOM 369 CA LYS A 28 1.540 -7.489 -1.332 1.00 0.00 C ATOM 370 C LYS A 28 1.902 -7.322 0.139 1.00 0.00 C ATOM 371 O LYS A 28 2.274 -6.233 0.578 1.00 0.00 O ATOM 372 CB LYS A 28 2.813 -7.623 -2.171 1.00 0.00 C ATOM 373 CG LYS A 28 2.641 -7.181 -3.613 1.00 0.00 C ATOM 374 CD LYS A 28 1.899 -8.225 -4.432 1.00 0.00 C ATOM 375 CE LYS A 28 0.392 -8.074 -4.296 1.00 0.00 C ATOM 376 NZ LYS A 28 -0.089 -6.783 -4.863 1.00 0.00 N ATOM 0 H LYS A 28 1.287 -5.559 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 28 0.945 -8.396 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.605 -7.032 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.141 -8.662 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.095 -6.238 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.619 -6.997 -4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.181 -8.134 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.196 -9.222 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.103 -8.901 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.114 -8.135 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.119 -6.710 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.377 -5.993 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.138 -6.743 -5.877 1.00 0.00 H new ATOM 390 N LEU A 29 1.793 -8.407 0.898 1.00 0.00 N ATOM 391 CA LEU A 29 2.111 -8.381 2.322 1.00 0.00 C ATOM 392 C LEU A 29 3.596 -8.643 2.552 1.00 0.00 C ATOM 393 O LEU A 29 4.122 -9.682 2.155 1.00 0.00 O ATOM 394 CB LEU A 29 1.275 -9.421 3.070 1.00 0.00 C ATOM 395 CG LEU A 29 0.934 -9.087 4.523 1.00 0.00 C ATOM 396 CD1 LEU A 29 -0.014 -7.900 4.590 1.00 0.00 C ATOM 397 CD2 LEU A 29 0.326 -10.297 5.219 1.00 0.00 C ATOM 0 H LEU A 29 1.487 -9.316 0.551 1.00 0.00 H new ATOM 0 HA LEU A 29 1.872 -7.389 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.344 -9.570 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.811 -10.370 3.052 1.00 0.00 H new ATOM 0 HG LEU A 29 1.855 -8.819 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.245 -7.677 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.457 -7.032 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.934 -8.139 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.089 -10.042 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.586 -10.595 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.038 -11.122 5.203 1.00 0.00 H new ATOM 409 N GLY A 30 4.266 -7.695 3.200 1.00 0.00 N ATOM 410 CA GLY A 30 5.683 -7.844 3.474 1.00 0.00 C ATOM 411 C GLY A 30 6.548 -7.086 2.486 1.00 0.00 C ATOM 412 O GLY A 30 7.773 -7.069 2.609 1.00 0.00 O ATOM 0 H GLY A 30 3.853 -6.827 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.894 -7.490 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.946 -8.901 3.446 1.00 0.00 H new ATOM 416 N SER A 31 5.910 -6.459 1.503 1.00 0.00 N ATOM 417 CA SER A 31 6.629 -5.701 0.486 1.00 0.00 C ATOM 418 C SER A 31 6.144 -4.255 0.442 1.00 0.00 C ATOM 419 O SER A 31 5.004 -3.961 0.801 1.00 0.00 O ATOM 420 CB SER A 31 6.453 -6.353 -0.886 1.00 0.00 C ATOM 421 OG SER A 31 7.568 -6.093 -1.721 1.00 0.00 O ATOM 0 H SER A 31 4.896 -6.461 1.389 1.00 0.00 H new ATOM 0 HA SER A 31 7.687 -5.703 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.327 -7.429 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.546 -5.976 -1.358 1.00 0.00 H new ATOM 0 HG SER A 31 7.432 -6.522 -2.592 1.00 0.00 H new ATOM 427 N ALA A 32 7.017 -3.358 -0.002 1.00 0.00 N ATOM 428 CA ALA A 32 6.679 -1.943 -0.097 1.00 0.00 C ATOM 429 C ALA A 32 5.830 -1.663 -1.332 1.00 0.00 C ATOM 430 O ALA A 32 6.268 -1.887 -2.460 1.00 0.00 O ATOM 431 CB ALA A 32 7.944 -1.098 -0.119 1.00 0.00 C ATOM 0 H ALA A 32 7.965 -3.586 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 32 6.093 -1.675 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.676 -0.044 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.511 -1.267 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.553 -1.377 -0.979 1.00 0.00 H new ATOM 437 N ALA A 33 4.615 -1.172 -1.112 1.00 0.00 N ATOM 438 CA ALA A 33 3.706 -0.860 -2.207 1.00 0.00 C ATOM 439 C ALA A 33 3.224 0.585 -2.126 1.00 0.00 C ATOM 440 O ALA A 33 2.922 1.088 -1.044 1.00 0.00 O ATOM 441 CB ALA A 33 2.522 -1.815 -2.200 1.00 0.00 C ATOM 0 H ALA A 33 4.237 -0.982 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 33 4.250 -0.982 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.852 -1.569 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.879 -2.838 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.985 -1.722 -1.256 1.00 0.00 H new ATOM 447 N ASP A 34 3.155 1.245 -3.276 1.00 0.00 N ATOM 448 CA ASP A 34 2.707 2.633 -3.335 1.00 0.00 C ATOM 449 C ASP A 34 1.185 2.715 -3.314 1.00 0.00 C ATOM 450 O ASP A 34 0.497 1.799 -3.768 1.00 0.00 O ATOM 451 CB ASP A 34 3.251 3.312 -4.593 1.00 0.00 C ATOM 452 CG ASP A 34 4.765 3.315 -4.642 1.00 0.00 C ATOM 453 OD1 ASP A 34 5.379 4.164 -3.964 1.00 0.00 O ATOM 454 OD2 ASP A 34 5.338 2.467 -5.359 1.00 0.00 O ATOM 0 H ASP A 34 3.403 0.843 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 34 3.091 3.151 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.863 2.801 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.887 4.339 -4.634 1.00 0.00 H new ATOM 459 N PHE A 35 0.663 3.816 -2.784 1.00 0.00 N ATOM 460 CA PHE A 35 -0.779 4.016 -2.702 1.00 0.00 C ATOM 461 C PHE A 35 -1.167 5.396 -3.227 1.00 0.00 C ATOM 462 O PHE A 35 -0.749 6.420 -2.685 1.00 0.00 O ATOM 463 CB PHE A 35 -1.256 3.856 -1.257 1.00 0.00 C ATOM 464 CG PHE A 35 -1.278 2.429 -0.789 1.00 0.00 C ATOM 465 CD1 PHE A 35 -2.352 1.604 -1.084 1.00 0.00 C ATOM 466 CD2 PHE A 35 -0.224 1.912 -0.053 1.00 0.00 C ATOM 467 CE1 PHE A 35 -2.374 0.292 -0.654 1.00 0.00 C ATOM 468 CE2 PHE A 35 -0.240 0.599 0.381 1.00 0.00 C ATOM 469 CZ PHE A 35 -1.316 -0.212 0.079 1.00 0.00 C ATOM 0 H PHE A 35 1.217 4.584 -2.405 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.261 3.261 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.606 4.435 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.258 4.276 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.181 1.992 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.620 2.542 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.217 -0.340 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.587 0.209 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.331 -1.238 0.415 1.00 0.00 H new ATOM 479 N LEU A 36 -1.969 5.415 -4.287 1.00 0.00 N ATOM 480 CA LEU A 36 -2.413 6.667 -4.887 1.00 0.00 C ATOM 481 C LEU A 36 -3.654 7.201 -4.178 1.00 0.00 C ATOM 482 O LEU A 36 -4.681 6.524 -4.107 1.00 0.00 O ATOM 483 CB LEU A 36 -2.709 6.466 -6.375 1.00 0.00 C ATOM 484 CG LEU A 36 -2.494 7.686 -7.272 1.00 0.00 C ATOM 485 CD1 LEU A 36 -1.041 7.778 -7.711 1.00 0.00 C ATOM 486 CD2 LEU A 36 -3.415 7.626 -8.482 1.00 0.00 C ATOM 0 H LEU A 36 -2.324 4.577 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.612 7.398 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.082 5.654 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.744 6.142 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.736 8.581 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.908 8.652 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.401 7.868 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.771 6.880 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.249 8.502 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.204 6.723 -9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.453 7.610 -8.149 1.00 0.00 H new ATOM 498 N LEU A 37 -3.554 8.418 -3.656 1.00 0.00 N ATOM 499 CA LEU A 37 -4.669 9.044 -2.954 1.00 0.00 C ATOM 500 C LEU A 37 -4.870 10.481 -3.424 1.00 0.00 C ATOM 501 O LEU A 37 -3.906 11.214 -3.643 1.00 0.00 O ATOM 502 CB LEU A 37 -4.426 9.018 -1.444 1.00 0.00 C ATOM 503 CG LEU A 37 -3.432 10.048 -0.907 1.00 0.00 C ATOM 504 CD1 LEU A 37 -3.318 9.941 0.606 1.00 0.00 C ATOM 505 CD2 LEU A 37 -2.070 9.868 -1.560 1.00 0.00 C ATOM 0 H LEU A 37 -2.712 8.991 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.573 8.478 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.381 9.167 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.072 8.024 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.801 11.043 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.606 10.682 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.293 10.122 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.973 8.943 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.376 10.610 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.693 8.868 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.164 9.997 -2.638 1.00 0.00 H new ATOM 517 N ASP A 38 -6.129 10.878 -3.575 1.00 0.00 N ATOM 518 CA ASP A 38 -6.457 12.229 -4.014 1.00 0.00 C ATOM 519 C ASP A 38 -6.373 13.215 -2.853 1.00 0.00 C ATOM 520 O ASP A 38 -7.310 13.341 -2.064 1.00 0.00 O ATOM 521 CB ASP A 38 -7.858 12.263 -4.627 1.00 0.00 C ATOM 522 CG ASP A 38 -8.942 11.959 -3.611 1.00 0.00 C ATOM 523 OD1 ASP A 38 -8.657 11.222 -2.643 1.00 0.00 O ATOM 524 OD2 ASP A 38 -10.073 12.457 -3.784 1.00 0.00 O ATOM 0 H ASP A 38 -6.939 10.283 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.730 12.524 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.037 13.246 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.913 11.540 -5.440 1.00 0.00 H new ATOM 529 N ILE A 39 -5.244 13.910 -2.755 1.00 0.00 N ATOM 530 CA ILE A 39 -5.039 14.883 -1.690 1.00 0.00 C ATOM 531 C ILE A 39 -4.746 16.268 -2.259 1.00 0.00 C ATOM 532 O ILE A 39 -3.865 16.428 -3.105 1.00 0.00 O ATOM 533 CB ILE A 39 -3.882 14.467 -0.762 1.00 0.00 C ATOM 534 CG1 ILE A 39 -2.709 13.929 -1.583 1.00 0.00 C ATOM 535 CG2 ILE A 39 -4.356 13.425 0.241 1.00 0.00 C ATOM 536 CD1 ILE A 39 -1.363 14.138 -0.924 1.00 0.00 C ATOM 0 H ILE A 39 -4.459 13.817 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.963 14.918 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.543 15.345 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.857 12.863 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.706 14.415 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.527 13.141 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.163 13.841 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.718 12.545 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.578 13.732 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.193 15.204 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.347 13.629 0.039 1.00 0.00 H new ATOM 548 N SER A 40 -5.487 17.264 -1.789 1.00 0.00 N ATOM 549 CA SER A 40 -5.308 18.635 -2.252 1.00 0.00 C ATOM 550 C SER A 40 -4.190 19.329 -1.480 1.00 0.00 C ATOM 551 O SER A 40 -4.282 20.515 -1.165 1.00 0.00 O ATOM 552 CB SER A 40 -6.612 19.422 -2.100 1.00 0.00 C ATOM 553 OG SER A 40 -7.686 18.759 -2.744 1.00 0.00 O ATOM 0 H SER A 40 -6.218 17.148 -1.087 1.00 0.00 H new ATOM 0 HA SER A 40 -5.032 18.602 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.842 19.550 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.490 20.419 -2.523 1.00 0.00 H new ATOM 0 HG SER A 40 -8.508 19.281 -2.631 1.00 0.00 H new ATOM 559 N GLU A 41 -3.135 18.578 -1.179 1.00 0.00 N ATOM 560 CA GLU A 41 -1.999 19.121 -0.443 1.00 0.00 C ATOM 561 C GLU A 41 -0.687 18.806 -1.157 1.00 0.00 C ATOM 562 O GLU A 41 -0.421 17.657 -1.513 1.00 0.00 O ATOM 563 CB GLU A 41 -1.967 18.555 0.978 1.00 0.00 C ATOM 564 CG GLU A 41 -3.058 19.109 1.879 1.00 0.00 C ATOM 565 CD GLU A 41 -3.281 20.596 1.679 1.00 0.00 C ATOM 566 OE1 GLU A 41 -2.285 21.326 1.498 1.00 0.00 O ATOM 567 OE2 GLU A 41 -4.453 21.028 1.703 1.00 0.00 O ATOM 0 H GLU A 41 -3.043 17.594 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.115 20.204 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.063 17.470 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.996 18.770 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.989 18.577 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.794 18.922 2.920 1.00 0.00 H new ATOM 574 N THR A 42 0.129 19.834 -1.364 1.00 0.00 N ATOM 575 CA THR A 42 1.412 19.669 -2.036 1.00 0.00 C ATOM 576 C THR A 42 2.568 20.045 -1.117 1.00 0.00 C ATOM 577 O THR A 42 3.542 20.662 -1.549 1.00 0.00 O ATOM 578 CB THR A 42 1.489 20.523 -3.316 1.00 0.00 C ATOM 579 OG1 THR A 42 2.638 20.150 -4.085 1.00 0.00 O ATOM 580 CG2 THR A 42 1.560 22.004 -2.974 1.00 0.00 C ATOM 0 H THR A 42 -0.076 20.791 -1.076 1.00 0.00 H new ATOM 0 HA THR A 42 1.494 18.616 -2.305 1.00 0.00 H new ATOM 0 HB THR A 42 0.587 20.344 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.437 20.191 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.614 22.587 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.670 22.291 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.447 22.196 -2.370 1.00 0.00 H new ATOM 588 N ASP A 43 2.454 19.671 0.153 1.00 0.00 N ATOM 589 CA ASP A 43 3.491 19.969 1.134 1.00 0.00 C ATOM 590 C ASP A 43 3.863 18.720 1.926 1.00 0.00 C ATOM 591 O ASP A 43 3.562 18.614 3.117 1.00 0.00 O ATOM 592 CB ASP A 43 3.022 21.071 2.085 1.00 0.00 C ATOM 593 CG ASP A 43 2.525 22.299 1.349 1.00 0.00 C ATOM 594 OD1 ASP A 43 1.420 22.238 0.772 1.00 0.00 O ATOM 595 OD2 ASP A 43 3.242 23.321 1.348 1.00 0.00 O ATOM 0 H ASP A 43 1.654 19.161 0.527 1.00 0.00 H new ATOM 0 HA ASP A 43 4.375 20.315 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.225 20.684 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.844 21.353 2.743 1.00 0.00 H new ATOM 600 N LEU A 44 4.516 17.775 1.259 1.00 0.00 N ATOM 601 CA LEU A 44 4.929 16.532 1.901 1.00 0.00 C ATOM 602 C LEU A 44 5.361 16.780 3.343 1.00 0.00 C ATOM 603 O LEU A 44 4.792 16.216 4.278 1.00 0.00 O ATOM 604 CB LEU A 44 6.074 15.886 1.119 1.00 0.00 C ATOM 605 CG LEU A 44 5.667 14.889 0.033 1.00 0.00 C ATOM 606 CD1 LEU A 44 6.662 14.916 -1.117 1.00 0.00 C ATOM 607 CD2 LEU A 44 5.557 13.486 0.613 1.00 0.00 C ATOM 0 H LEU A 44 4.771 17.846 0.274 1.00 0.00 H new ATOM 0 HA LEU A 44 4.074 15.856 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.663 16.678 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.728 15.375 1.826 1.00 0.00 H new ATOM 0 HG LEU A 44 4.690 15.179 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.356 14.200 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.692 15.916 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.653 14.651 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.267 12.789 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.520 13.186 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.805 13.476 1.402 1.00 0.00 H new ATOM 619 N SER A 45 6.368 17.630 3.516 1.00 0.00 N ATOM 620 CA SER A 45 6.876 17.952 4.845 1.00 0.00 C ATOM 621 C SER A 45 5.739 18.355 5.779 1.00 0.00 C ATOM 622 O SER A 45 5.457 17.671 6.763 1.00 0.00 O ATOM 623 CB SER A 45 7.906 19.081 4.759 1.00 0.00 C ATOM 624 OG SER A 45 9.180 18.583 4.389 1.00 0.00 O ATOM 0 H SER A 45 6.848 18.108 2.753 1.00 0.00 H new ATOM 0 HA SER A 45 7.356 17.061 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.577 19.823 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.976 19.588 5.722 1.00 0.00 H new ATOM 0 HG SER A 45 9.819 19.324 4.339 1.00 0.00 H new ATOM 630 N SER A 46 5.089 19.471 5.463 1.00 0.00 N ATOM 631 CA SER A 46 3.984 19.968 6.274 1.00 0.00 C ATOM 632 C SER A 46 2.993 18.851 6.585 1.00 0.00 C ATOM 633 O SER A 46 2.204 18.950 7.526 1.00 0.00 O ATOM 634 CB SER A 46 3.270 21.114 5.555 1.00 0.00 C ATOM 635 OG SER A 46 4.026 22.310 5.625 1.00 0.00 O ATOM 0 H SER A 46 5.309 20.048 4.651 1.00 0.00 H new ATOM 0 HA SER A 46 4.394 20.338 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.104 20.846 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.289 21.273 6.003 1.00 0.00 H new ATOM 0 HG SER A 46 3.549 23.026 5.157 1.00 0.00 H new ATOM 641 N LEU A 47 3.038 17.789 5.789 1.00 0.00 N ATOM 642 CA LEU A 47 2.144 16.652 5.977 1.00 0.00 C ATOM 643 C LEU A 47 2.809 15.572 6.826 1.00 0.00 C ATOM 644 O LEU A 47 4.029 15.555 6.986 1.00 0.00 O ATOM 645 CB LEU A 47 1.733 16.071 4.624 1.00 0.00 C ATOM 646 CG LEU A 47 0.869 16.973 3.741 1.00 0.00 C ATOM 647 CD1 LEU A 47 0.582 16.298 2.409 1.00 0.00 C ATOM 648 CD2 LEU A 47 -0.427 17.331 4.452 1.00 0.00 C ATOM 0 H LEU A 47 3.685 17.691 5.006 1.00 0.00 H new ATOM 0 HA LEU A 47 1.254 17.004 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.637 15.814 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.191 15.142 4.800 1.00 0.00 H new ATOM 0 HG LEU A 47 1.418 17.894 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.034 16.954 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.521 16.094 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.053 15.361 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.029 17.973 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.982 16.420 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.200 17.857 5.380 1.00 0.00 H new ATOM 660 N THR A 48 1.996 14.670 7.368 1.00 0.00 N ATOM 661 CA THR A 48 2.505 13.586 8.199 1.00 0.00 C ATOM 662 C THR A 48 2.119 12.227 7.627 1.00 0.00 C ATOM 663 O THR A 48 1.261 12.133 6.750 1.00 0.00 O ATOM 664 CB THR A 48 1.979 13.691 9.643 1.00 0.00 C ATOM 665 OG1 THR A 48 2.066 15.046 10.099 1.00 0.00 O ATOM 666 CG2 THR A 48 2.770 12.784 10.574 1.00 0.00 C ATOM 0 H THR A 48 0.983 14.669 7.246 1.00 0.00 H new ATOM 0 HA THR A 48 3.591 13.678 8.208 1.00 0.00 H new ATOM 0 HB THR A 48 0.937 13.372 9.651 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.364 15.581 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.381 12.875 11.588 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.677 11.750 10.241 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.820 13.076 10.561 1.00 0.00 H new ATOM 674 N ALA A 49 2.756 11.175 8.130 1.00 0.00 N ATOM 675 CA ALA A 49 2.477 9.821 7.671 1.00 0.00 C ATOM 676 C ALA A 49 2.420 8.844 8.842 1.00 0.00 C ATOM 677 O ALA A 49 3.417 8.629 9.532 1.00 0.00 O ATOM 678 CB ALA A 49 3.527 9.377 6.663 1.00 0.00 C ATOM 0 H ALA A 49 3.470 11.235 8.856 1.00 0.00 H new ATOM 0 HA ALA A 49 1.501 9.824 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.305 8.363 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.517 10.051 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.512 9.398 7.130 1.00 0.00 H new ATOM 684 N SER A 50 1.249 8.256 9.059 1.00 0.00 N ATOM 685 CA SER A 50 1.061 7.306 10.150 1.00 0.00 C ATOM 686 C SER A 50 0.084 6.205 9.750 1.00 0.00 C ATOM 687 O SER A 50 -0.981 6.478 9.193 1.00 0.00 O ATOM 688 CB SER A 50 0.552 8.026 11.400 1.00 0.00 C ATOM 689 OG SER A 50 1.627 8.557 12.156 1.00 0.00 O ATOM 0 H SER A 50 0.416 8.420 8.494 1.00 0.00 H new ATOM 0 HA SER A 50 2.026 6.849 10.370 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.125 8.830 11.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.021 7.332 12.015 1.00 0.00 H new ATOM 0 HG SER A 50 2.399 8.701 11.570 1.00 0.00 H new ATOM 695 N ILE A 51 0.452 4.962 10.036 1.00 0.00 N ATOM 696 CA ILE A 51 -0.391 3.820 9.707 1.00 0.00 C ATOM 697 C ILE A 51 -0.448 2.827 10.863 1.00 0.00 C ATOM 698 O ILE A 51 0.533 2.637 11.583 1.00 0.00 O ATOM 699 CB ILE A 51 0.112 3.092 8.446 1.00 0.00 C ATOM 700 CG1 ILE A 51 0.006 4.009 7.226 1.00 0.00 C ATOM 701 CG2 ILE A 51 -0.678 1.812 8.223 1.00 0.00 C ATOM 702 CD1 ILE A 51 0.476 3.363 5.941 1.00 0.00 C ATOM 0 H ILE A 51 1.330 4.719 10.496 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.390 4.212 9.517 1.00 0.00 H new ATOM 0 HB ILE A 51 1.160 2.828 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.031 4.323 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.593 4.909 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.311 1.309 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.557 1.155 9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.733 2.053 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.372 4.071 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.522 3.074 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.127 2.478 5.737 1.00 0.00 H new ATOM 714 N LYS A 52 -1.604 2.194 11.037 1.00 0.00 N ATOM 715 CA LYS A 52 -1.791 1.219 12.103 1.00 0.00 C ATOM 716 C LYS A 52 -2.688 0.075 11.643 1.00 0.00 C ATOM 717 O LYS A 52 -3.897 0.248 11.484 1.00 0.00 O ATOM 718 CB LYS A 52 -2.395 1.891 13.339 1.00 0.00 C ATOM 719 CG LYS A 52 -2.535 0.961 14.530 1.00 0.00 C ATOM 720 CD LYS A 52 -1.236 0.850 15.308 1.00 0.00 C ATOM 721 CE LYS A 52 -1.490 0.611 16.788 1.00 0.00 C ATOM 722 NZ LYS A 52 -2.205 1.754 17.420 1.00 0.00 N ATOM 0 H LYS A 52 -2.426 2.340 10.451 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.814 0.810 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.771 2.739 13.622 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.377 2.289 13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.323 1.327 15.188 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.840 -0.028 14.187 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.638 0.033 14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.655 1.764 15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.077 -0.299 16.913 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.540 0.450 17.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.944 1.814 18.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.940 2.638 16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.232 1.610 17.337 1.00 0.00 H new ATOM 736 N ALA A 53 -2.091 -1.094 11.434 1.00 0.00 N ATOM 737 CA ALA A 53 -2.837 -2.266 10.995 1.00 0.00 C ATOM 738 C ALA A 53 -4.142 -2.407 11.773 1.00 0.00 C ATOM 739 O ALA A 53 -4.381 -1.717 12.764 1.00 0.00 O ATOM 740 CB ALA A 53 -1.990 -3.520 11.151 1.00 0.00 C ATOM 0 H ALA A 53 -1.092 -1.254 11.562 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.083 -2.136 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.560 -4.388 10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.087 -3.427 10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.715 -3.645 12.198 1.00 0.00 H new ATOM 746 N PRO A 54 -5.008 -3.324 11.314 1.00 0.00 N ATOM 747 CA PRO A 54 -6.303 -3.577 11.952 1.00 0.00 C ATOM 748 C PRO A 54 -6.158 -4.252 13.311 1.00 0.00 C ATOM 749 O PRO A 54 -7.082 -4.234 14.125 1.00 0.00 O ATOM 750 CB PRO A 54 -7.009 -4.510 10.963 1.00 0.00 C ATOM 751 CG PRO A 54 -5.905 -5.187 10.229 1.00 0.00 C ATOM 752 CD PRO A 54 -4.789 -4.182 10.138 1.00 0.00 C ATOM 0 HA PRO A 54 -6.847 -2.654 12.151 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.641 -5.231 11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.653 -3.952 10.283 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.580 -6.084 10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.230 -5.499 9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.811 -4.663 10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.836 -3.612 9.210 1.00 0.00 H new ATOM 760 N SER A 55 -4.994 -4.846 13.550 1.00 0.00 N ATOM 761 CA SER A 55 -4.729 -5.531 14.811 1.00 0.00 C ATOM 762 C SER A 55 -3.977 -4.620 15.776 1.00 0.00 C ATOM 763 O SER A 55 -3.566 -5.044 16.854 1.00 0.00 O ATOM 764 CB SER A 55 -3.923 -6.807 14.563 1.00 0.00 C ATOM 765 OG SER A 55 -4.619 -7.690 13.700 1.00 0.00 O ATOM 0 H SER A 55 -4.219 -4.867 12.888 1.00 0.00 H new ATOM 0 HA SER A 55 -5.686 -5.796 15.260 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.958 -6.552 14.126 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.722 -7.304 15.512 1.00 0.00 H new ATOM 0 HG SER A 55 -4.082 -8.497 13.556 1.00 0.00 H new ATOM 771 N GLY A 56 -3.802 -3.363 15.379 1.00 0.00 N ATOM 772 CA GLY A 56 -3.099 -2.411 16.219 1.00 0.00 C ATOM 773 C GLY A 56 -1.596 -2.470 16.030 1.00 0.00 C ATOM 774 O GLY A 56 -0.837 -2.090 16.922 1.00 0.00 O ATOM 0 H GLY A 56 -4.134 -2.987 14.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.451 -1.404 15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.339 -2.607 17.264 1.00 0.00 H new ATOM 778 N ARG A 57 -1.165 -2.949 14.868 1.00 0.00 N ATOM 779 CA ARG A 57 0.257 -3.060 14.567 1.00 0.00 C ATOM 780 C ARG A 57 0.730 -1.875 13.731 1.00 0.00 C ATOM 781 O ARG A 57 0.269 -1.672 12.607 1.00 0.00 O ATOM 782 CB ARG A 57 0.543 -4.367 13.827 1.00 0.00 C ATOM 783 CG ARG A 57 -0.020 -5.597 14.521 1.00 0.00 C ATOM 784 CD ARG A 57 0.013 -6.815 13.611 1.00 0.00 C ATOM 785 NE ARG A 57 1.276 -7.541 13.715 1.00 0.00 N ATOM 786 CZ ARG A 57 1.696 -8.128 14.830 1.00 0.00 C ATOM 787 NH1 ARG A 57 0.958 -8.076 15.929 1.00 0.00 N ATOM 788 NH2 ARG A 57 2.857 -8.770 14.846 1.00 0.00 N ATOM 0 H ARG A 57 -1.780 -3.267 14.119 1.00 0.00 H new ATOM 0 HA ARG A 57 0.803 -3.058 15.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.125 -4.304 12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.621 -4.484 13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.554 -5.801 15.425 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.046 -5.402 14.833 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.811 -7.482 13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.141 -6.501 12.579 1.00 0.00 H new ATOM 0 HE ARG A 57 1.868 -7.600 12.886 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.064 -7.584 15.920 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.283 -8.528 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.428 -8.813 14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.179 -9.221 15.703 1.00 0.00 H new ATOM 802 N ASP A 58 1.651 -1.095 14.286 1.00 0.00 N ATOM 803 CA ASP A 58 2.186 0.070 13.591 1.00 0.00 C ATOM 804 C ASP A 58 3.111 -0.354 12.454 1.00 0.00 C ATOM 805 O ASP A 58 3.851 -1.330 12.574 1.00 0.00 O ATOM 806 CB ASP A 58 2.941 0.971 14.569 1.00 0.00 C ATOM 807 CG ASP A 58 3.869 1.942 13.864 1.00 0.00 C ATOM 808 OD1 ASP A 58 3.364 2.817 13.131 1.00 0.00 O ATOM 809 OD2 ASP A 58 5.099 1.825 14.046 1.00 0.00 O ATOM 0 H ASP A 58 2.043 -1.248 15.215 1.00 0.00 H new ATOM 0 HA ASP A 58 1.350 0.626 13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.224 1.530 15.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.520 0.353 15.255 1.00 0.00 H new ATOM 814 N GLU A 59 3.061 0.387 11.350 1.00 0.00 N ATOM 815 CA GLU A 59 3.892 0.086 10.191 1.00 0.00 C ATOM 816 C GLU A 59 4.688 1.314 9.759 1.00 0.00 C ATOM 817 O GLU A 59 4.212 2.448 9.828 1.00 0.00 O ATOM 818 CB GLU A 59 3.028 -0.410 9.030 1.00 0.00 C ATOM 819 CG GLU A 59 2.226 -1.659 9.358 1.00 0.00 C ATOM 820 CD GLU A 59 1.082 -1.889 8.390 1.00 0.00 C ATOM 821 OE1 GLU A 59 0.759 -0.960 7.620 1.00 0.00 O ATOM 822 OE2 GLU A 59 0.509 -2.999 8.402 1.00 0.00 O ATOM 0 H GLU A 59 2.454 1.199 11.235 1.00 0.00 H new ATOM 0 HA GLU A 59 4.593 -0.699 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.343 0.384 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.669 -0.615 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.888 -2.525 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.830 -1.576 10.370 1.00 0.00 H new ATOM 829 N PRO A 60 5.927 1.085 9.300 1.00 0.00 N ATOM 830 CA PRO A 60 6.815 2.160 8.847 1.00 0.00 C ATOM 831 C PRO A 60 6.344 2.789 7.542 1.00 0.00 C ATOM 832 O PRO A 60 6.768 2.385 6.458 1.00 0.00 O ATOM 833 CB PRO A 60 8.157 1.450 8.646 1.00 0.00 C ATOM 834 CG PRO A 60 7.797 0.028 8.383 1.00 0.00 C ATOM 835 CD PRO A 60 6.557 -0.241 9.190 1.00 0.00 C ATOM 0 HA PRO A 60 6.856 2.983 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.711 1.879 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.790 1.542 9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.615 -0.139 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.606 -0.640 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.902 -0.957 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.797 -0.654 10.170 1.00 0.00 H new ATOM 843 N CYS A 61 5.465 3.779 7.651 1.00 0.00 N ATOM 844 CA CYS A 61 4.936 4.465 6.477 1.00 0.00 C ATOM 845 C CYS A 61 5.795 5.674 6.119 1.00 0.00 C ATOM 846 O CYS A 61 6.338 6.344 6.998 1.00 0.00 O ATOM 847 CB CYS A 61 3.493 4.905 6.725 1.00 0.00 C ATOM 848 SG CYS A 61 3.307 6.102 8.068 1.00 0.00 S ATOM 0 H CYS A 61 5.104 4.125 8.540 1.00 0.00 H new ATOM 0 HA CYS A 61 4.957 3.767 5.640 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.094 5.339 5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.890 4.026 6.950 1.00 0.00 H new ATOM 0 HG CYS A 61 4.430 6.733 8.246 1.00 0.00 H new ATOM 854 N LEU A 62 5.915 5.944 4.825 1.00 0.00 N ATOM 855 CA LEU A 62 6.710 7.072 4.350 1.00 0.00 C ATOM 856 C LEU A 62 6.060 7.723 3.132 1.00 0.00 C ATOM 857 O LEU A 62 5.867 7.078 2.100 1.00 0.00 O ATOM 858 CB LEU A 62 8.126 6.612 4.000 1.00 0.00 C ATOM 859 CG LEU A 62 9.232 7.654 4.171 1.00 0.00 C ATOM 860 CD1 LEU A 62 8.967 8.862 3.285 1.00 0.00 C ATOM 861 CD2 LEU A 62 9.348 8.075 5.629 1.00 0.00 C ATOM 0 H LEU A 62 5.473 5.398 4.085 1.00 0.00 H new ATOM 0 HA LEU A 62 6.761 7.810 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.369 5.748 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.131 6.273 2.964 1.00 0.00 H new ATOM 0 HG LEU A 62 10.178 7.206 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.764 9.594 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.935 8.548 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.012 9.311 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.140 8.817 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.403 8.505 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.584 7.205 6.241 1.00 0.00 H new ATOM 873 N LEU A 63 5.726 9.002 3.259 1.00 0.00 N ATOM 874 CA LEU A 63 5.100 9.741 2.169 1.00 0.00 C ATOM 875 C LEU A 63 6.130 10.140 1.118 1.00 0.00 C ATOM 876 O LEU A 63 7.253 10.525 1.449 1.00 0.00 O ATOM 877 CB LEU A 63 4.397 10.988 2.709 1.00 0.00 C ATOM 878 CG LEU A 63 2.970 10.786 3.219 1.00 0.00 C ATOM 879 CD1 LEU A 63 2.535 11.969 4.070 1.00 0.00 C ATOM 880 CD2 LEU A 63 2.011 10.582 2.057 1.00 0.00 C ATOM 0 H LEU A 63 5.878 9.549 4.106 1.00 0.00 H new ATOM 0 HA LEU A 63 4.363 9.090 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.998 11.396 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.376 11.740 1.920 1.00 0.00 H new ATOM 0 HG LEU A 63 2.951 9.891 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.517 11.808 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.205 12.069 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.571 12.880 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.000 10.440 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.034 11.458 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.311 9.702 1.488 1.00 0.00 H new ATOM 892 N LYS A 64 5.743 10.048 -0.149 1.00 0.00 N ATOM 893 CA LYS A 64 6.631 10.402 -1.249 1.00 0.00 C ATOM 894 C LYS A 64 5.846 11.000 -2.412 1.00 0.00 C ATOM 895 O LYS A 64 4.630 10.826 -2.506 1.00 0.00 O ATOM 896 CB LYS A 64 7.406 9.170 -1.724 1.00 0.00 C ATOM 897 CG LYS A 64 6.551 8.169 -2.481 1.00 0.00 C ATOM 898 CD LYS A 64 7.406 7.134 -3.195 1.00 0.00 C ATOM 899 CE LYS A 64 8.260 6.345 -2.215 1.00 0.00 C ATOM 900 NZ LYS A 64 9.565 7.012 -1.955 1.00 0.00 N ATOM 0 H LYS A 64 4.818 9.731 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 64 7.336 11.150 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.227 9.492 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.851 8.676 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.875 7.668 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.931 8.694 -3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.764 6.451 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.049 7.630 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.719 6.226 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.436 5.345 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.338 6.333 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.679 7.816 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.591 7.353 -0.973 1.00 0.00 H new ATOM 914 N ARG A 65 6.548 11.702 -3.295 1.00 0.00 N ATOM 915 CA ARG A 65 5.915 12.326 -4.452 1.00 0.00 C ATOM 916 C ARG A 65 5.926 11.382 -5.651 1.00 0.00 C ATOM 917 O ARG A 65 6.952 10.783 -5.974 1.00 0.00 O ATOM 918 CB ARG A 65 6.629 13.630 -4.810 1.00 0.00 C ATOM 919 CG ARG A 65 6.257 14.172 -6.180 1.00 0.00 C ATOM 920 CD ARG A 65 4.867 14.789 -6.176 1.00 0.00 C ATOM 921 NE ARG A 65 4.703 15.778 -7.238 1.00 0.00 N ATOM 922 CZ ARG A 65 5.368 16.927 -7.280 1.00 0.00 C ATOM 923 NH1 ARG A 65 6.235 17.231 -6.323 1.00 0.00 N ATOM 924 NH2 ARG A 65 5.165 17.776 -8.280 1.00 0.00 N ATOM 0 H ARG A 65 7.555 11.853 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 65 4.879 12.547 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.395 14.381 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.706 13.466 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.988 14.920 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.297 13.367 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.121 14.003 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.683 15.260 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 65 4.042 15.575 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.392 16.582 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.744 18.114 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.498 17.546 -9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.676 18.658 -8.312 1.00 0.00 H new ATOM 938 N LEU A 66 4.778 11.255 -6.308 1.00 0.00 N ATOM 939 CA LEU A 66 4.654 10.383 -7.471 1.00 0.00 C ATOM 940 C LEU A 66 4.590 11.201 -8.758 1.00 0.00 C ATOM 941 O LEU A 66 4.193 12.365 -8.763 1.00 0.00 O ATOM 942 CB LEU A 66 3.406 9.508 -7.347 1.00 0.00 C ATOM 943 CG LEU A 66 3.461 8.407 -6.288 1.00 0.00 C ATOM 944 CD1 LEU A 66 2.110 7.721 -6.159 1.00 0.00 C ATOM 945 CD2 LEU A 66 4.545 7.394 -6.626 1.00 0.00 C ATOM 0 H LEU A 66 3.920 11.745 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 66 5.535 9.743 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.555 10.153 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.214 9.044 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 66 3.706 8.865 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.169 6.940 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.357 8.453 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.835 7.277 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.569 6.618 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.331 6.942 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.512 7.895 -6.665 1.00 0.00 H new ATOM 957 N PRO A 67 4.990 10.576 -9.876 1.00 0.00 N ATOM 958 CA PRO A 67 4.985 11.225 -11.190 1.00 0.00 C ATOM 959 C PRO A 67 3.573 11.466 -11.712 1.00 0.00 C ATOM 960 O PRO A 67 2.599 10.968 -11.149 1.00 0.00 O ATOM 961 CB PRO A 67 5.721 10.223 -12.083 1.00 0.00 C ATOM 962 CG PRO A 67 5.521 8.905 -11.419 1.00 0.00 C ATOM 963 CD PRO A 67 5.477 9.187 -9.943 1.00 0.00 C ATOM 0 HA PRO A 67 5.449 12.211 -11.159 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.315 10.222 -13.095 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.780 10.469 -12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.596 8.436 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.333 8.219 -11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.809 8.501 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.460 9.083 -9.484 1.00 0.00 H new ATOM 971 N ASN A 68 3.470 12.233 -12.793 1.00 0.00 N ATOM 972 CA ASN A 68 2.175 12.540 -13.390 1.00 0.00 C ATOM 973 C ASN A 68 1.361 13.458 -12.484 1.00 0.00 C ATOM 974 O ASN A 68 0.133 13.397 -12.464 1.00 0.00 O ATOM 975 CB ASN A 68 1.396 11.252 -13.663 1.00 0.00 C ATOM 976 CG ASN A 68 0.468 11.377 -14.855 1.00 0.00 C ATOM 977 OD1 ASN A 68 0.716 10.798 -15.912 1.00 0.00 O ATOM 978 ND2 ASN A 68 -0.608 12.139 -14.690 1.00 0.00 N ATOM 0 H ASN A 68 4.266 12.653 -13.273 1.00 0.00 H new ATOM 0 HA ASN A 68 2.352 13.055 -14.334 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.098 10.437 -13.837 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.814 10.989 -12.780 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.268 12.262 -15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.774 12.600 -13.796 1.00 0.00 H new ATOM 985 N ASN A 69 2.055 14.308 -11.734 1.00 0.00 N ATOM 986 CA ASN A 69 1.396 15.239 -10.824 1.00 0.00 C ATOM 987 C ASN A 69 0.561 14.489 -9.791 1.00 0.00 C ATOM 988 O ASN A 69 -0.480 14.976 -9.348 1.00 0.00 O ATOM 989 CB ASN A 69 0.510 16.208 -11.608 1.00 0.00 C ATOM 990 CG ASN A 69 1.302 17.051 -12.590 1.00 0.00 C ATOM 991 OD1 ASN A 69 2.076 17.923 -12.193 1.00 0.00 O ATOM 992 ND2 ASN A 69 1.111 16.792 -13.879 1.00 0.00 N ATOM 0 H ASN A 69 3.073 14.372 -11.738 1.00 0.00 H new ATOM 0 HA ASN A 69 2.166 15.805 -10.300 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.251 15.644 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.013 16.863 -10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.616 17.325 -14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.459 16.060 -14.161 1.00 0.00 H new ATOM 999 N HIS A 70 1.024 13.303 -9.410 1.00 0.00 N ATOM 1000 CA HIS A 70 0.320 12.487 -8.428 1.00 0.00 C ATOM 1001 C HIS A 70 1.167 12.295 -7.173 1.00 0.00 C ATOM 1002 O HIS A 70 2.373 12.547 -7.183 1.00 0.00 O ATOM 1003 CB HIS A 70 -0.041 11.128 -9.027 1.00 0.00 C ATOM 1004 CG HIS A 70 -0.815 11.223 -10.305 1.00 0.00 C ATOM 1005 ND1 HIS A 70 -1.534 12.342 -10.668 1.00 0.00 N ATOM 1006 CD2 HIS A 70 -0.979 10.330 -11.310 1.00 0.00 C ATOM 1007 CE1 HIS A 70 -2.108 12.133 -11.840 1.00 0.00 C ATOM 1008 NE2 HIS A 70 -1.787 10.920 -12.251 1.00 0.00 N ATOM 0 H HIS A 70 1.884 12.886 -9.766 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.596 13.008 -8.150 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.875 10.565 -9.208 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.624 10.563 -8.300 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.554 9.339 -11.362 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.733 12.835 -12.371 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.090 10.491 -13.125 1.00 0.00 H new ATOM 1017 N ILE A 71 0.529 11.847 -6.098 1.00 0.00 N ATOM 1018 CA ILE A 71 1.225 11.622 -4.836 1.00 0.00 C ATOM 1019 C ILE A 71 0.660 10.408 -4.107 1.00 0.00 C ATOM 1020 O ILE A 71 -0.551 10.186 -4.093 1.00 0.00 O ATOM 1021 CB ILE A 71 1.131 12.851 -3.914 1.00 0.00 C ATOM 1022 CG1 ILE A 71 1.683 14.090 -4.621 1.00 0.00 C ATOM 1023 CG2 ILE A 71 1.882 12.597 -2.615 1.00 0.00 C ATOM 1024 CD1 ILE A 71 1.281 15.391 -3.962 1.00 0.00 C ATOM 0 H ILE A 71 -0.468 11.632 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 71 2.272 11.442 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 71 0.082 13.029 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.771 14.028 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.337 14.093 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.807 13.475 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.447 11.737 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.931 12.397 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.708 16.227 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.194 15.476 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.651 15.409 -2.937 1.00 0.00 H new ATOM 1036 N GLY A 72 1.545 9.623 -3.499 1.00 0.00 N ATOM 1037 CA GLY A 72 1.116 8.442 -2.774 1.00 0.00 C ATOM 1038 C GLY A 72 2.041 8.101 -1.621 1.00 0.00 C ATOM 1039 O GLY A 72 3.151 8.624 -1.534 1.00 0.00 O ATOM 0 H GLY A 72 2.552 9.785 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.107 8.600 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.068 7.596 -3.460 1.00 0.00 H new ATOM 1043 N ILE A 73 1.581 7.224 -0.737 1.00 0.00 N ATOM 1044 CA ILE A 73 2.374 6.815 0.416 1.00 0.00 C ATOM 1045 C ILE A 73 3.055 5.473 0.167 1.00 0.00 C ATOM 1046 O ILE A 73 2.614 4.689 -0.673 1.00 0.00 O ATOM 1047 CB ILE A 73 1.510 6.712 1.687 1.00 0.00 C ATOM 1048 CG1 ILE A 73 2.395 6.496 2.916 1.00 0.00 C ATOM 1049 CG2 ILE A 73 0.500 5.582 1.549 1.00 0.00 C ATOM 1050 CD1 ILE A 73 1.774 6.993 4.203 1.00 0.00 C ATOM 0 H ILE A 73 0.663 6.782 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 73 3.133 7.583 0.565 1.00 0.00 H new ATOM 0 HB ILE A 73 0.965 7.647 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.613 5.433 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.347 7.004 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.104 5.521 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.147 5.775 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.027 4.639 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.457 6.807 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.581 8.063 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.836 6.467 4.381 1.00 0.00 H new ATOM 1062 N SER A 74 4.130 5.216 0.905 1.00 0.00 N ATOM 1063 CA SER A 74 4.874 3.969 0.762 1.00 0.00 C ATOM 1064 C SER A 74 5.113 3.321 2.122 1.00 0.00 C ATOM 1065 O SER A 74 5.771 3.898 2.991 1.00 0.00 O ATOM 1066 CB SER A 74 6.210 4.225 0.063 1.00 0.00 C ATOM 1067 OG SER A 74 6.702 3.043 -0.545 1.00 0.00 O ATOM 0 H SER A 74 4.505 5.853 1.607 1.00 0.00 H new ATOM 0 HA SER A 74 4.280 3.287 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.086 5.002 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.937 4.596 0.786 1.00 0.00 H new ATOM 0 HG SER A 74 7.556 3.233 -0.987 1.00 0.00 H new ATOM 1073 N PHE A 75 4.576 2.120 2.302 1.00 0.00 N ATOM 1074 CA PHE A 75 4.731 1.393 3.557 1.00 0.00 C ATOM 1075 C PHE A 75 4.634 -0.113 3.329 1.00 0.00 C ATOM 1076 O PHE A 75 4.036 -0.566 2.353 1.00 0.00 O ATOM 1077 CB PHE A 75 3.667 1.838 4.563 1.00 0.00 C ATOM 1078 CG PHE A 75 2.340 1.161 4.370 1.00 0.00 C ATOM 1079 CD1 PHE A 75 1.419 1.660 3.463 1.00 0.00 C ATOM 1080 CD2 PHE A 75 2.014 0.027 5.097 1.00 0.00 C ATOM 1081 CE1 PHE A 75 0.197 1.039 3.282 1.00 0.00 C ATOM 1082 CE2 PHE A 75 0.793 -0.597 4.920 1.00 0.00 C ATOM 1083 CZ PHE A 75 -0.117 -0.091 4.013 1.00 0.00 C ATOM 0 H PHE A 75 4.029 1.629 1.595 1.00 0.00 H new ATOM 0 HA PHE A 75 5.719 1.619 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.026 1.636 5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.531 2.916 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.658 2.544 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.721 -0.373 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.511 1.437 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.551 -1.481 5.492 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.072 -0.577 3.875 1.00 0.00 H new ATOM 1093 N ILE A 76 5.225 -0.882 4.237 1.00 0.00 N ATOM 1094 CA ILE A 76 5.205 -2.336 4.135 1.00 0.00 C ATOM 1095 C ILE A 76 4.140 -2.935 5.047 1.00 0.00 C ATOM 1096 O ILE A 76 4.333 -3.083 6.255 1.00 0.00 O ATOM 1097 CB ILE A 76 6.574 -2.944 4.493 1.00 0.00 C ATOM 1098 CG1 ILE A 76 7.602 -2.613 3.409 1.00 0.00 C ATOM 1099 CG2 ILE A 76 6.453 -4.450 4.675 1.00 0.00 C ATOM 1100 CD1 ILE A 76 9.034 -2.685 3.893 1.00 0.00 C ATOM 0 H ILE A 76 5.723 -0.523 5.051 1.00 0.00 H new ATOM 0 HA ILE A 76 4.970 -2.578 3.098 1.00 0.00 H new ATOM 0 HB ILE A 76 6.914 -2.510 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.474 -3.303 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.406 -1.611 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.429 -4.866 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.748 -4.664 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.095 -4.901 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.708 -2.439 3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.179 -1.975 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.248 -3.693 4.248 1.00 0.00 H new ATOM 1112 N PRO A 77 2.989 -3.292 4.459 1.00 0.00 N ATOM 1113 CA PRO A 77 1.871 -3.884 5.199 1.00 0.00 C ATOM 1114 C PRO A 77 2.178 -5.299 5.678 1.00 0.00 C ATOM 1115 O PRO A 77 2.483 -6.183 4.877 1.00 0.00 O ATOM 1116 CB PRO A 77 0.736 -3.901 4.173 1.00 0.00 C ATOM 1117 CG PRO A 77 1.420 -3.931 2.850 1.00 0.00 C ATOM 1118 CD PRO A 77 2.690 -3.145 3.024 1.00 0.00 C ATOM 0 HA PRO A 77 1.638 -3.322 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.095 -4.772 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.101 -3.020 4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.633 -4.955 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.792 -3.491 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.495 -3.539 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.557 -2.099 2.746 1.00 0.00 H new ATOM 1126 N ARG A 78 2.094 -5.506 6.988 1.00 0.00 N ATOM 1127 CA ARG A 78 2.365 -6.815 7.573 1.00 0.00 C ATOM 1128 C ARG A 78 1.090 -7.651 7.645 1.00 0.00 C ATOM 1129 O ARG A 78 1.124 -8.868 7.470 1.00 0.00 O ATOM 1130 CB ARG A 78 2.965 -6.658 8.972 1.00 0.00 C ATOM 1131 CG ARG A 78 4.464 -6.406 8.966 1.00 0.00 C ATOM 1132 CD ARG A 78 4.788 -4.977 8.561 1.00 0.00 C ATOM 1133 NE ARG A 78 6.165 -4.615 8.882 1.00 0.00 N ATOM 1134 CZ ARG A 78 7.222 -5.103 8.241 1.00 0.00 C ATOM 1135 NH1 ARG A 78 7.059 -5.967 7.249 1.00 0.00 N ATOM 1136 NH2 ARG A 78 8.444 -4.726 8.591 1.00 0.00 N ATOM 0 H ARG A 78 1.841 -4.786 7.664 1.00 0.00 H new ATOM 0 HA ARG A 78 3.082 -7.330 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.468 -5.832 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.759 -7.559 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.871 -6.605 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.948 -7.099 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.622 -4.858 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.106 -4.294 9.067 1.00 0.00 H new ATOM 0 HE ARG A 78 6.325 -3.951 9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.121 -6.259 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.872 -6.340 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.574 -4.061 9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.254 -5.101 8.098 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.032 -6.988 7.907 1.00 0.00 N ATOM 1151 CA GLU A 79 -1.317 -7.671 8.004 1.00 0.00 C ATOM 1152 C GLU A 79 -2.232 -7.276 6.848 1.00 0.00 C ATOM 1153 O GLU A 79 -2.106 -6.189 6.284 1.00 0.00 O ATOM 1154 CB GLU A 79 -1.993 -7.346 9.337 1.00 0.00 C ATOM 1155 CG GLU A 79 -3.382 -7.945 9.478 1.00 0.00 C ATOM 1156 CD GLU A 79 -3.350 -9.442 9.721 1.00 0.00 C ATOM 1157 OE1 GLU A 79 -2.726 -9.869 10.715 1.00 0.00 O ATOM 1158 OE2 GLU A 79 -3.949 -10.185 8.917 1.00 0.00 O ATOM 0 H GLU A 79 -0.077 -5.980 8.056 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.134 -8.744 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.366 -7.710 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.061 -6.264 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.902 -7.458 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.956 -7.740 8.574 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.154 -8.169 6.500 1.00 0.00 N ATOM 1166 CA VAL A 80 -4.091 -7.915 5.412 1.00 0.00 C ATOM 1167 C VAL A 80 -5.474 -7.566 5.949 1.00 0.00 C ATOM 1168 O VAL A 80 -5.914 -8.109 6.961 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.207 -9.133 4.476 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -2.877 -9.409 3.790 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -4.682 -10.354 5.248 1.00 0.00 C ATOM 0 H VAL A 80 -3.272 -9.074 6.956 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.700 -7.069 4.847 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.945 -8.909 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.979 -10.273 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.583 -8.539 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.115 -9.613 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.758 -11.205 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.970 -10.583 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.659 -10.150 5.686 1.00 0.00 H new ATOM 1181 N GLY A 81 -6.158 -6.655 5.261 1.00 0.00 N ATOM 1182 CA GLY A 81 -7.484 -6.249 5.683 1.00 0.00 C ATOM 1183 C GLY A 81 -7.749 -4.778 5.432 1.00 0.00 C ATOM 1184 O GLY A 81 -7.439 -4.261 4.359 1.00 0.00 O ATOM 0 H GLY A 81 -5.816 -6.192 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.228 -6.844 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.604 -6.460 6.746 1.00 0.00 H new ATOM 1188 N GLU A 82 -8.324 -4.104 6.423 1.00 0.00 N ATOM 1189 CA GLU A 82 -8.632 -2.683 6.301 1.00 0.00 C ATOM 1190 C GLU A 82 -7.685 -1.847 7.157 1.00 0.00 C ATOM 1191 O GLU A 82 -7.796 -1.824 8.383 1.00 0.00 O ATOM 1192 CB GLU A 82 -10.081 -2.415 6.713 1.00 0.00 C ATOM 1193 CG GLU A 82 -10.475 -0.951 6.633 1.00 0.00 C ATOM 1194 CD GLU A 82 -11.973 -0.742 6.752 1.00 0.00 C ATOM 1195 OE1 GLU A 82 -12.613 -1.472 7.537 1.00 0.00 O ATOM 1196 OE2 GLU A 82 -12.503 0.152 6.060 1.00 0.00 O ATOM 0 H GLU A 82 -8.586 -4.518 7.318 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.500 -2.397 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.745 -2.997 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.231 -2.768 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.971 -0.399 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.128 -0.537 5.686 1.00 0.00 H new ATOM 1203 N HIS A 83 -6.754 -1.160 6.502 1.00 0.00 N ATOM 1204 CA HIS A 83 -5.788 -0.322 7.202 1.00 0.00 C ATOM 1205 C HIS A 83 -6.216 1.142 7.172 1.00 0.00 C ATOM 1206 O HIS A 83 -6.766 1.618 6.178 1.00 0.00 O ATOM 1207 CB HIS A 83 -4.401 -0.473 6.577 1.00 0.00 C ATOM 1208 CG HIS A 83 -3.654 -1.679 7.059 1.00 0.00 C ATOM 1209 ND1 HIS A 83 -4.172 -2.956 7.003 1.00 0.00 N ATOM 1210 CD2 HIS A 83 -2.422 -1.798 7.606 1.00 0.00 C ATOM 1211 CE1 HIS A 83 -3.291 -3.807 7.497 1.00 0.00 C ATOM 1212 NE2 HIS A 83 -2.220 -3.130 7.870 1.00 0.00 N ATOM 0 H HIS A 83 -6.649 -1.168 5.487 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.747 -0.649 8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.504 -0.529 5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.814 0.419 6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.727 -0.994 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.424 -4.875 7.582 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.380 -3.531 8.286 1.00 0.00 H new ATOM 1221 N LEU A 84 -5.960 1.851 8.265 1.00 0.00 N ATOM 1222 CA LEU A 84 -6.320 3.262 8.365 1.00 0.00 C ATOM 1223 C LEU A 84 -5.073 4.139 8.414 1.00 0.00 C ATOM 1224 O LEU A 84 -4.293 4.075 9.365 1.00 0.00 O ATOM 1225 CB LEU A 84 -7.178 3.504 9.607 1.00 0.00 C ATOM 1226 CG LEU A 84 -8.671 3.213 9.458 1.00 0.00 C ATOM 1227 CD1 LEU A 84 -9.397 3.459 10.771 1.00 0.00 C ATOM 1228 CD2 LEU A 84 -9.273 4.062 8.347 1.00 0.00 C ATOM 0 H LEU A 84 -5.504 1.473 9.095 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.895 3.529 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.788 2.890 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.059 4.545 9.909 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.791 2.163 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.459 3.247 10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.985 2.808 11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.268 4.500 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.336 3.841 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.141 5.118 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.773 3.836 7.405 1.00 0.00 H new ATOM 1240 N VAL A 85 -4.892 4.962 7.386 1.00 0.00 N ATOM 1241 CA VAL A 85 -3.741 5.854 7.314 1.00 0.00 C ATOM 1242 C VAL A 85 -4.079 7.232 7.874 1.00 0.00 C ATOM 1243 O VAL A 85 -4.959 7.924 7.360 1.00 0.00 O ATOM 1244 CB VAL A 85 -3.241 6.010 5.866 1.00 0.00 C ATOM 1245 CG1 VAL A 85 -1.887 6.703 5.839 1.00 0.00 C ATOM 1246 CG2 VAL A 85 -3.170 4.655 5.179 1.00 0.00 C ATOM 0 H VAL A 85 -5.528 5.029 6.591 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.952 5.403 7.916 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.950 6.632 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.550 6.804 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.975 7.691 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.164 6.111 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.815 4.784 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.483 4.007 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.161 4.202 5.164 1.00 0.00 H new ATOM 1256 N SER A 86 -3.375 7.623 8.932 1.00 0.00 N ATOM 1257 CA SER A 86 -3.603 8.917 9.564 1.00 0.00 C ATOM 1258 C SER A 86 -2.742 9.998 8.917 1.00 0.00 C ATOM 1259 O SER A 86 -1.527 10.041 9.114 1.00 0.00 O ATOM 1260 CB SER A 86 -3.298 8.836 11.061 1.00 0.00 C ATOM 1261 OG SER A 86 -3.555 7.537 11.565 1.00 0.00 O ATOM 0 H SER A 86 -2.643 7.063 9.369 1.00 0.00 H new ATOM 0 HA SER A 86 -4.651 9.181 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.255 9.098 11.237 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.905 9.565 11.599 1.00 0.00 H new ATOM 0 HG SER A 86 -3.350 7.511 12.523 1.00 0.00 H new ATOM 1267 N ILE A 87 -3.381 10.868 8.142 1.00 0.00 N ATOM 1268 CA ILE A 87 -2.676 11.950 7.465 1.00 0.00 C ATOM 1269 C ILE A 87 -3.123 13.310 7.988 1.00 0.00 C ATOM 1270 O ILE A 87 -4.294 13.676 7.876 1.00 0.00 O ATOM 1271 CB ILE A 87 -2.896 11.899 5.942 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -2.522 10.520 5.396 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -2.083 12.986 5.253 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -1.212 9.991 5.936 1.00 0.00 C ATOM 0 H ILE A 87 -4.386 10.845 7.967 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.615 11.815 7.675 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.952 12.076 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.317 9.815 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.463 10.572 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.249 12.937 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.393 13.963 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.024 12.837 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.011 9.010 5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.406 10.676 5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.274 9.906 7.021 1.00 0.00 H new ATOM 1286 N LYS A 88 -2.185 14.057 8.559 1.00 0.00 N ATOM 1287 CA LYS A 88 -2.481 15.380 9.097 1.00 0.00 C ATOM 1288 C LYS A 88 -1.393 16.379 8.715 1.00 0.00 C ATOM 1289 O LYS A 88 -0.366 16.007 8.147 1.00 0.00 O ATOM 1290 CB LYS A 88 -2.616 15.315 10.620 1.00 0.00 C ATOM 1291 CG LYS A 88 -3.123 13.977 11.129 1.00 0.00 C ATOM 1292 CD LYS A 88 -2.853 13.807 12.614 1.00 0.00 C ATOM 1293 CE LYS A 88 -3.065 12.368 13.059 1.00 0.00 C ATOM 1294 NZ LYS A 88 -1.817 11.563 12.949 1.00 0.00 N ATOM 0 H LYS A 88 -1.212 13.769 8.661 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.425 15.716 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.646 15.522 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.295 16.101 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.194 13.897 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.642 13.170 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.830 14.110 12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.511 14.465 13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.416 12.355 14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.846 11.911 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.004 10.589 13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.496 11.554 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.079 11.984 13.549 1.00 0.00 H new ATOM 1308 N LYS A 89 -1.625 17.648 9.030 1.00 0.00 N ATOM 1309 CA LYS A 89 -0.664 18.701 8.724 1.00 0.00 C ATOM 1310 C LYS A 89 -0.345 19.527 9.966 1.00 0.00 C ATOM 1311 O LYS A 89 -1.164 20.327 10.417 1.00 0.00 O ATOM 1312 CB LYS A 89 -1.209 19.610 7.619 1.00 0.00 C ATOM 1313 CG LYS A 89 -0.314 20.799 7.314 1.00 0.00 C ATOM 1314 CD LYS A 89 -0.879 21.648 6.187 1.00 0.00 C ATOM 1315 CE LYS A 89 -0.382 21.175 4.830 1.00 0.00 C ATOM 1316 NZ LYS A 89 -0.577 22.209 3.777 1.00 0.00 N ATOM 0 H LYS A 89 -2.471 17.973 9.498 1.00 0.00 H new ATOM 0 HA LYS A 89 0.256 18.229 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.342 19.023 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.194 19.973 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.201 21.410 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.681 20.446 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.968 21.608 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.595 22.690 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.676 20.922 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.910 20.264 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.179 21.825 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.035 23.045 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.346 22.480 3.381 1.00 0.00 H new ATOM 1330 N ASN A 90 0.850 19.328 10.512 1.00 0.00 N ATOM 1331 CA ASN A 90 1.277 20.056 11.702 1.00 0.00 C ATOM 1332 C ASN A 90 0.348 19.767 12.878 1.00 0.00 C ATOM 1333 O ASN A 90 0.195 20.592 13.778 1.00 0.00 O ATOM 1334 CB ASN A 90 1.310 21.559 11.421 1.00 0.00 C ATOM 1335 CG ASN A 90 2.476 21.955 10.535 1.00 0.00 C ATOM 1336 OD1 ASN A 90 3.637 21.742 10.885 1.00 0.00 O ATOM 1337 ND2 ASN A 90 2.171 22.536 9.381 1.00 0.00 N ATOM 0 H ASN A 90 1.540 18.669 10.150 1.00 0.00 H new ATOM 0 HA ASN A 90 2.281 19.720 11.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.377 21.857 10.944 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.373 22.101 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.913 22.825 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.195 22.693 9.131 1.00 0.00 H new ATOM 1344 N GLY A 91 -0.271 18.590 12.862 1.00 0.00 N ATOM 1345 CA GLY A 91 -1.177 18.214 13.931 1.00 0.00 C ATOM 1346 C GLY A 91 -2.624 18.522 13.602 1.00 0.00 C ATOM 1347 O GLY A 91 -3.469 18.587 14.493 1.00 0.00 O ATOM 0 H GLY A 91 -0.161 17.891 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.073 17.148 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.895 18.740 14.843 1.00 0.00 H new ATOM 1351 N ASN A 92 -2.908 18.712 12.317 1.00 0.00 N ATOM 1352 CA ASN A 92 -4.264 19.018 11.873 1.00 0.00 C ATOM 1353 C ASN A 92 -4.669 18.116 10.710 1.00 0.00 C ATOM 1354 O ASN A 92 -4.303 18.364 9.561 1.00 0.00 O ATOM 1355 CB ASN A 92 -4.366 20.486 11.455 1.00 0.00 C ATOM 1356 CG ASN A 92 -4.635 21.404 12.631 1.00 0.00 C ATOM 1357 OD1 ASN A 92 -5.599 21.216 13.373 1.00 0.00 O ATOM 1358 ND2 ASN A 92 -3.779 22.405 12.808 1.00 0.00 N ATOM 0 H ASN A 92 -2.219 18.660 11.566 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.944 18.837 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.439 20.787 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.164 20.597 10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.908 23.055 13.584 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.993 22.523 12.168 1.00 0.00 H new ATOM 1365 N HIS A 93 -5.430 17.070 11.018 1.00 0.00 N ATOM 1366 CA HIS A 93 -5.887 16.133 9.998 1.00 0.00 C ATOM 1367 C HIS A 93 -6.190 16.857 8.690 1.00 0.00 C ATOM 1368 O HIS A 93 -6.672 17.989 8.693 1.00 0.00 O ATOM 1369 CB HIS A 93 -7.132 15.388 10.482 1.00 0.00 C ATOM 1370 CG HIS A 93 -6.824 14.122 11.220 1.00 0.00 C ATOM 1371 ND1 HIS A 93 -6.973 12.870 10.660 1.00 0.00 N ATOM 1372 CD2 HIS A 93 -6.370 13.918 12.479 1.00 0.00 C ATOM 1373 CE1 HIS A 93 -6.626 11.951 11.544 1.00 0.00 C ATOM 1374 NE2 HIS A 93 -6.257 12.561 12.656 1.00 0.00 N ATOM 0 H HIS A 93 -5.742 16.850 11.964 1.00 0.00 H new ATOM 0 HA HIS A 93 -5.088 15.414 9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.709 16.046 11.131 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -7.762 15.154 9.624 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.140 14.681 13.208 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.641 10.883 11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.940 12.099 13.508 1.00 0.00 H new ATOM 1383 N VAL A 94 -5.903 16.196 7.573 1.00 0.00 N ATOM 1384 CA VAL A 94 -6.144 16.775 6.257 1.00 0.00 C ATOM 1385 C VAL A 94 -7.317 16.094 5.563 1.00 0.00 C ATOM 1386 O VAL A 94 -7.887 15.136 6.082 1.00 0.00 O ATOM 1387 CB VAL A 94 -4.897 16.669 5.360 1.00 0.00 C ATOM 1388 CG1 VAL A 94 -3.699 17.327 6.028 1.00 0.00 C ATOM 1389 CG2 VAL A 94 -4.601 15.215 5.030 1.00 0.00 C ATOM 0 H VAL A 94 -5.503 15.258 7.554 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.381 17.827 6.413 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.097 17.197 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.828 17.242 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.916 18.380 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.494 16.832 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.717 15.159 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.422 14.662 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.452 14.780 4.506 1.00 0.00 H new ATOM 1399 N ALA A 95 -7.671 16.594 4.383 1.00 0.00 N ATOM 1400 CA ALA A 95 -8.774 16.031 3.615 1.00 0.00 C ATOM 1401 C ALA A 95 -8.474 14.597 3.192 1.00 0.00 C ATOM 1402 O ALA A 95 -7.318 14.232 2.980 1.00 0.00 O ATOM 1403 CB ALA A 95 -9.063 16.894 2.395 1.00 0.00 C ATOM 0 H ALA A 95 -7.210 17.388 3.939 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.657 16.016 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.889 16.461 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.331 17.900 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.176 16.939 1.763 1.00 0.00 H new ATOM 1409 N ASN A 96 -9.522 13.789 3.071 1.00 0.00 N ATOM 1410 CA ASN A 96 -9.368 12.394 2.674 1.00 0.00 C ATOM 1411 C ASN A 96 -8.522 11.629 3.688 1.00 0.00 C ATOM 1412 O ASN A 96 -7.832 10.671 3.339 1.00 0.00 O ATOM 1413 CB ASN A 96 -8.729 12.303 1.287 1.00 0.00 C ATOM 1414 CG ASN A 96 -9.556 12.998 0.223 1.00 0.00 C ATOM 1415 OD1 ASN A 96 -10.439 12.392 -0.387 1.00 0.00 O ATOM 1416 ND2 ASN A 96 -9.272 14.274 -0.007 1.00 0.00 N ATOM 0 H ASN A 96 -10.486 14.076 3.242 1.00 0.00 H new ATOM 0 HA ASN A 96 -10.359 11.941 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -7.734 12.748 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -8.601 11.255 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -9.794 14.793 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -8.532 14.735 0.522 1.00 0.00 H new ATOM 1423 N SER A 97 -8.583 12.059 4.944 1.00 0.00 N ATOM 1424 CA SER A 97 -7.820 11.417 6.008 1.00 0.00 C ATOM 1425 C SER A 97 -8.700 11.157 7.227 1.00 0.00 C ATOM 1426 O SER A 97 -9.551 11.967 7.594 1.00 0.00 O ATOM 1427 CB SER A 97 -6.625 12.288 6.405 1.00 0.00 C ATOM 1428 OG SER A 97 -5.780 11.609 7.317 1.00 0.00 O ATOM 0 H SER A 97 -9.152 12.848 5.250 1.00 0.00 H new ATOM 0 HA SER A 97 -7.456 10.460 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.059 12.562 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.980 13.215 6.855 1.00 0.00 H new ATOM 0 HG SER A 97 -5.381 12.255 7.937 1.00 0.00 H new ATOM 1434 N PRO A 98 -8.491 9.999 7.870 1.00 0.00 N ATOM 1435 CA PRO A 98 -7.481 9.027 7.442 1.00 0.00 C ATOM 1436 C PRO A 98 -7.852 8.344 6.130 1.00 0.00 C ATOM 1437 O PRO A 98 -9.023 8.302 5.750 1.00 0.00 O ATOM 1438 CB PRO A 98 -7.460 8.010 8.587 1.00 0.00 C ATOM 1439 CG PRO A 98 -8.810 8.110 9.208 1.00 0.00 C ATOM 1440 CD PRO A 98 -9.225 9.549 9.065 1.00 0.00 C ATOM 0 HA PRO A 98 -6.516 9.498 7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.268 7.003 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.675 8.241 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.519 7.448 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.780 7.815 10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.303 9.645 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.957 10.134 9.945 1.00 0.00 H new ATOM 1448 N VAL A 99 -6.849 7.810 5.442 1.00 0.00 N ATOM 1449 CA VAL A 99 -7.070 7.127 4.172 1.00 0.00 C ATOM 1450 C VAL A 99 -7.343 5.643 4.386 1.00 0.00 C ATOM 1451 O VAL A 99 -6.611 4.964 5.107 1.00 0.00 O ATOM 1452 CB VAL A 99 -5.861 7.285 3.232 1.00 0.00 C ATOM 1453 CG1 VAL A 99 -6.172 6.706 1.859 1.00 0.00 C ATOM 1454 CG2 VAL A 99 -5.458 8.748 3.122 1.00 0.00 C ATOM 0 H VAL A 99 -5.875 7.837 5.742 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.942 7.591 3.711 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.022 6.731 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.306 6.827 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.408 5.646 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.025 7.230 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.602 8.840 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.292 9.326 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.191 9.127 4.108 1.00 0.00 H new ATOM 1464 N SER A 100 -8.401 5.144 3.756 1.00 0.00 N ATOM 1465 CA SER A 100 -8.773 3.740 3.880 1.00 0.00 C ATOM 1466 C SER A 100 -8.085 2.899 2.810 1.00 0.00 C ATOM 1467 O SER A 100 -8.309 3.093 1.613 1.00 0.00 O ATOM 1468 CB SER A 100 -10.292 3.581 3.772 1.00 0.00 C ATOM 1469 OG SER A 100 -10.747 3.906 2.470 1.00 0.00 O ATOM 0 H SER A 100 -9.016 5.691 3.154 1.00 0.00 H new ATOM 0 HA SER A 100 -8.447 3.389 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.572 2.555 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.781 4.225 4.503 1.00 0.00 H new ATOM 0 HG SER A 100 -10.001 3.841 1.837 1.00 0.00 H new ATOM 1475 N ILE A 101 -7.248 1.964 3.248 1.00 0.00 N ATOM 1476 CA ILE A 101 -6.528 1.093 2.327 1.00 0.00 C ATOM 1477 C ILE A 101 -6.932 -0.365 2.522 1.00 0.00 C ATOM 1478 O ILE A 101 -7.213 -0.798 3.638 1.00 0.00 O ATOM 1479 CB ILE A 101 -5.004 1.220 2.508 1.00 0.00 C ATOM 1480 CG1 ILE A 101 -4.554 2.658 2.241 1.00 0.00 C ATOM 1481 CG2 ILE A 101 -4.279 0.253 1.586 1.00 0.00 C ATOM 1482 CD1 ILE A 101 -3.069 2.872 2.432 1.00 0.00 C ATOM 0 H ILE A 101 -7.052 1.790 4.234 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.793 1.410 1.319 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.753 0.967 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.824 2.931 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.098 3.330 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.203 0.355 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.580 -0.768 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.533 0.478 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.822 3.913 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.796 2.631 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.517 2.226 1.749 1.00 0.00 H new ATOM 1494 N MET A 102 -6.958 -1.116 1.425 1.00 0.00 N ATOM 1495 CA MET A 102 -7.325 -2.527 1.475 1.00 0.00 C ATOM 1496 C MET A 102 -6.135 -3.411 1.115 1.00 0.00 C ATOM 1497 O MET A 102 -5.586 -3.314 0.018 1.00 0.00 O ATOM 1498 CB MET A 102 -8.490 -2.807 0.524 1.00 0.00 C ATOM 1499 CG MET A 102 -9.110 -4.182 0.711 1.00 0.00 C ATOM 1500 SD MET A 102 -10.442 -4.183 1.925 1.00 0.00 S ATOM 1501 CE MET A 102 -10.056 -5.668 2.851 1.00 0.00 C ATOM 0 H MET A 102 -6.730 -0.772 0.492 1.00 0.00 H new ATOM 0 HA MET A 102 -7.634 -2.761 2.494 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.258 -2.048 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.140 -2.712 -0.504 1.00 0.00 H new ATOM 0 HG2 MET A 102 -9.495 -4.536 -0.245 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.338 -4.885 1.024 1.00 0.00 H new ATOM 0 HE1 MET A 102 -10.545 -5.627 3.824 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.411 -6.541 2.303 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.977 -5.740 2.990 1.00 0.00 H new ATOM 1511 N VAL A 103 -5.740 -4.273 2.048 1.00 0.00 N ATOM 1512 CA VAL A 103 -4.615 -5.175 1.828 1.00 0.00 C ATOM 1513 C VAL A 103 -5.082 -6.624 1.744 1.00 0.00 C ATOM 1514 O VAL A 103 -6.008 -7.031 2.445 1.00 0.00 O ATOM 1515 CB VAL A 103 -3.569 -5.049 2.950 1.00 0.00 C ATOM 1516 CG1 VAL A 103 -2.400 -5.990 2.698 1.00 0.00 C ATOM 1517 CG2 VAL A 103 -3.088 -3.610 3.072 1.00 0.00 C ATOM 0 H VAL A 103 -6.182 -4.365 2.962 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.158 -4.888 0.881 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.037 -5.333 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.670 -5.887 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.761 -7.018 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.930 -5.740 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.349 -3.540 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.637 -3.296 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.934 -2.962 3.303 1.00 0.00 H new ATOM 1527 N VAL A 104 -4.434 -7.399 0.879 1.00 0.00 N ATOM 1528 CA VAL A 104 -4.780 -8.804 0.703 1.00 0.00 C ATOM 1529 C VAL A 104 -3.598 -9.598 0.161 1.00 0.00 C ATOM 1530 O VAL A 104 -2.815 -9.093 -0.643 1.00 0.00 O ATOM 1531 CB VAL A 104 -5.978 -8.971 -0.251 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -7.201 -8.247 0.293 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -5.625 -8.467 -1.642 1.00 0.00 C ATOM 0 H VAL A 104 -3.667 -7.077 0.289 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.051 -9.189 1.686 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.217 -10.032 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.037 -8.377 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.465 -8.660 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.979 -7.185 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.483 -8.593 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.359 -7.411 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.780 -9.035 -2.032 1.00 0.00 H new ATOM 1543 N GLN A 105 -3.475 -10.844 0.606 1.00 0.00 N ATOM 1544 CA GLN A 105 -2.387 -11.709 0.165 1.00 0.00 C ATOM 1545 C GLN A 105 -2.649 -12.239 -1.240 1.00 0.00 C ATOM 1546 O GLN A 105 -3.762 -12.655 -1.559 1.00 0.00 O ATOM 1547 CB GLN A 105 -2.207 -12.875 1.139 1.00 0.00 C ATOM 1548 CG GLN A 105 -3.516 -13.513 1.572 1.00 0.00 C ATOM 1549 CD GLN A 105 -4.095 -12.871 2.817 1.00 0.00 C ATOM 1550 OE1 GLN A 105 -5.272 -12.512 2.854 1.00 0.00 O ATOM 1551 NE2 GLN A 105 -3.268 -12.722 3.845 1.00 0.00 N ATOM 0 H GLN A 105 -4.115 -11.277 1.272 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.471 -11.118 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.579 -13.634 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.675 -12.521 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.239 -13.438 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.354 -14.575 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.300 -13.034 3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.601 -12.295 4.710 1.00 0.00 H new ATOM 1560 N SER A 106 -1.615 -12.223 -2.076 1.00 0.00 N ATOM 1561 CA SER A 106 -1.735 -12.700 -3.449 1.00 0.00 C ATOM 1562 C SER A 106 -2.211 -14.149 -3.482 1.00 0.00 C ATOM 1563 O SER A 106 -1.689 -15.000 -2.763 1.00 0.00 O ATOM 1564 CB SER A 106 -0.394 -12.576 -4.173 1.00 0.00 C ATOM 1565 OG SER A 106 0.054 -11.231 -4.192 1.00 0.00 O ATOM 0 H SER A 106 -0.686 -11.885 -1.827 1.00 0.00 H new ATOM 0 HA SER A 106 -2.474 -12.082 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.349 -13.203 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.493 -12.944 -5.194 1.00 0.00 H new ATOM 0 HG SER A 106 0.914 -11.179 -4.659 1.00 0.00 H new ATOM 1571 N GLU A 107 -3.205 -14.421 -4.321 1.00 0.00 N ATOM 1572 CA GLU A 107 -3.752 -15.766 -4.447 1.00 0.00 C ATOM 1573 C GLU A 107 -3.409 -16.367 -5.807 1.00 0.00 C ATOM 1574 O GLU A 107 -4.103 -16.128 -6.796 1.00 0.00 O ATOM 1575 CB GLU A 107 -5.270 -15.743 -4.256 1.00 0.00 C ATOM 1576 CG GLU A 107 -5.913 -17.117 -4.328 1.00 0.00 C ATOM 1577 CD GLU A 107 -7.403 -17.081 -4.043 1.00 0.00 C ATOM 1578 OE1 GLU A 107 -7.777 -16.976 -2.856 1.00 0.00 O ATOM 1579 OE2 GLU A 107 -8.194 -17.156 -5.006 1.00 0.00 O ATOM 0 H GLU A 107 -3.648 -13.727 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.305 -16.387 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.499 -15.294 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.714 -15.103 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.747 -17.540 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.426 -17.780 -3.612 1.00 0.00 H new ATOM 1586 N ILE A 108 -2.335 -17.148 -5.848 1.00 0.00 N ATOM 1587 CA ILE A 108 -1.900 -17.785 -7.085 1.00 0.00 C ATOM 1588 C ILE A 108 -3.016 -18.629 -7.691 1.00 0.00 C ATOM 1589 O ILE A 108 -3.419 -18.417 -8.833 1.00 0.00 O ATOM 1590 CB ILE A 108 -0.664 -18.676 -6.856 1.00 0.00 C ATOM 1591 CG1 ILE A 108 0.486 -17.849 -6.277 1.00 0.00 C ATOM 1592 CG2 ILE A 108 -0.243 -19.342 -8.157 1.00 0.00 C ATOM 1593 CD1 ILE A 108 0.899 -16.690 -7.156 1.00 0.00 C ATOM 0 H ILE A 108 -1.750 -17.355 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.637 -16.984 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.923 -19.456 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.192 -17.466 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.346 -18.499 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.631 -19.968 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.060 -19.958 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.002 -18.578 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.718 -16.149 -6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.225 -17.067 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.052 -16.018 -7.294 1.00 0.00 H new ATOM 1605 N GLY A 109 -3.513 -19.588 -6.915 1.00 0.00 N ATOM 1606 CA GLY A 109 -4.580 -20.449 -7.391 1.00 0.00 C ATOM 1607 C GLY A 109 -4.072 -21.554 -8.297 1.00 0.00 C ATOM 1608 O GLY A 109 -2.865 -21.768 -8.410 1.00 0.00 O ATOM 0 H GLY A 109 -3.196 -19.784 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.095 -20.891 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.313 -19.849 -7.930 1.00 0.00 H new ATOM 1612 N ASP A 110 -4.996 -22.259 -8.942 1.00 0.00 N ATOM 1613 CA ASP A 110 -4.635 -23.349 -9.841 1.00 0.00 C ATOM 1614 C ASP A 110 -3.728 -22.850 -10.962 1.00 0.00 C ATOM 1615 O ASP A 110 -4.203 -22.329 -11.972 1.00 0.00 O ATOM 1616 CB ASP A 110 -5.892 -23.988 -10.432 1.00 0.00 C ATOM 1617 CG ASP A 110 -5.576 -24.973 -11.539 1.00 0.00 C ATOM 1618 OD1 ASP A 110 -4.469 -25.551 -11.520 1.00 0.00 O ATOM 1619 OD2 ASP A 110 -6.434 -25.166 -12.426 1.00 0.00 O ATOM 0 H ASP A 110 -5.999 -22.095 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.092 -24.098 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.442 -24.499 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.545 -23.206 -10.821 1.00 0.00 H new ATOM 1624 N SER A 111 -2.422 -23.012 -10.777 1.00 0.00 N ATOM 1625 CA SER A 111 -1.449 -22.574 -11.771 1.00 0.00 C ATOM 1626 C SER A 111 -0.875 -23.766 -12.531 1.00 0.00 C ATOM 1627 O SER A 111 -0.236 -24.640 -11.947 1.00 0.00 O ATOM 1628 CB SER A 111 -0.319 -21.792 -11.099 1.00 0.00 C ATOM 1629 OG SER A 111 0.290 -22.556 -10.072 1.00 0.00 O ATOM 0 H SER A 111 -2.013 -23.443 -9.948 1.00 0.00 H new ATOM 0 HA SER A 111 -1.960 -21.924 -12.481 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.428 -21.516 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.712 -20.865 -10.682 1.00 0.00 H new ATOM 0 HG SER A 111 0.350 -23.493 -10.353 1.00 0.00 H new ATOM 1635 N GLY A 112 -1.109 -23.793 -13.840 1.00 0.00 N ATOM 1636 CA GLY A 112 -0.610 -24.881 -14.660 1.00 0.00 C ATOM 1637 C GLY A 112 -1.666 -25.933 -14.935 1.00 0.00 C ATOM 1638 O GLY A 112 -1.656 -27.019 -14.356 1.00 0.00 O ATOM 0 H GLY A 112 -1.635 -23.081 -14.347 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.246 -24.481 -15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.241 -25.346 -14.162 1.00 0.00 H new ATOM 1642 N PRO A 113 -2.606 -25.611 -15.835 1.00 0.00 N ATOM 1643 CA PRO A 113 -3.693 -26.523 -16.206 1.00 0.00 C ATOM 1644 C PRO A 113 -3.197 -27.723 -17.005 1.00 0.00 C ATOM 1645 O PRO A 113 -3.918 -28.704 -17.182 1.00 0.00 O ATOM 1646 CB PRO A 113 -4.611 -25.651 -17.064 1.00 0.00 C ATOM 1647 CG PRO A 113 -3.720 -24.594 -17.618 1.00 0.00 C ATOM 1648 CD PRO A 113 -2.680 -24.334 -16.564 1.00 0.00 C ATOM 0 HA PRO A 113 -4.183 -26.949 -15.331 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -5.079 -26.231 -17.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.416 -25.219 -16.469 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.258 -24.922 -18.549 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -4.283 -23.688 -17.843 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.720 -24.067 -17.005 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -2.969 -23.513 -15.908 1.00 0.00 H new ATOM 1656 N SER A 114 -1.961 -27.637 -17.486 1.00 0.00 N ATOM 1657 CA SER A 114 -1.369 -28.715 -18.270 1.00 0.00 C ATOM 1658 C SER A 114 -0.232 -29.385 -17.504 1.00 0.00 C ATOM 1659 O SER A 114 0.595 -28.712 -16.889 1.00 0.00 O ATOM 1660 CB SER A 114 -0.852 -28.177 -19.607 1.00 0.00 C ATOM 1661 OG SER A 114 -0.405 -29.232 -20.441 1.00 0.00 O ATOM 0 H SER A 114 -1.350 -26.832 -17.347 1.00 0.00 H new ATOM 0 HA SER A 114 -2.142 -29.459 -18.460 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.644 -27.622 -20.110 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.035 -27.478 -19.430 1.00 0.00 H new ATOM 0 HG SER A 114 -0.081 -28.864 -21.289 1.00 0.00 H new ATOM 1667 N SER A 115 -0.201 -30.712 -17.545 1.00 0.00 N ATOM 1668 CA SER A 115 0.830 -31.474 -16.851 1.00 0.00 C ATOM 1669 C SER A 115 1.734 -32.197 -17.847 1.00 0.00 C ATOM 1670 O SER A 115 1.268 -32.991 -18.663 1.00 0.00 O ATOM 1671 CB SER A 115 0.193 -32.485 -15.897 1.00 0.00 C ATOM 1672 OG SER A 115 -0.618 -33.409 -16.601 1.00 0.00 O ATOM 0 H SER A 115 -0.878 -31.282 -18.052 1.00 0.00 H new ATOM 0 HA SER A 115 1.437 -30.775 -16.275 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.973 -33.020 -15.355 1.00 0.00 H new ATOM 0 HB3 SER A 115 -0.408 -31.960 -15.155 1.00 0.00 H new ATOM 0 HG SER A 115 -0.275 -33.517 -17.512 1.00 0.00 H new ATOM 1678 N GLY A 116 3.031 -31.914 -17.773 1.00 0.00 N ATOM 1679 CA GLY A 116 3.980 -32.545 -18.672 1.00 0.00 C ATOM 1680 C GLY A 116 3.425 -32.719 -20.071 1.00 0.00 C ATOM 1681 O GLY A 116 3.544 -31.825 -20.909 1.00 0.00 O ATOM 0 H GLY A 116 3.441 -31.259 -17.107 1.00 0.00 H new ATOM 0 HA2 GLY A 116 4.888 -31.944 -18.717 1.00 0.00 H new ATOM 0 HA3 GLY A 116 4.262 -33.519 -18.272 1.00 0.00 H new TER 1685 GLY A 116