USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 MET CE :methyl -169:sc= 0 (180deg=-0.0354) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 134:sc= 0.0306 USER MOD Single : A 3 MET CE :methyl -118:sc= -0.0342 (180deg=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 140:sc= -2.78! USER MOD Single : A 15 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.9) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -1.23 USER MOD Single : A 32 HIS : no HD1:sc= -0.0645 X(o=-0.065,f=-0.041) USER MOD Single : A 37 TYR OH : rot 51:sc= -1.28! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.689 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 0.0199 (180deg=-0.0852) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.538 USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= -1.51 (180deg=-4.31!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.805 F(o=-3.8!,f=-0.81) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -117:sc= -0.0318 (180deg=-0.365) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -4.54! USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.682 11.038 -11.917 1.00 0.00 N ATOM 2 CA GLY A 1 -18.027 10.547 -11.382 1.00 0.00 C ATOM 3 C GLY A 1 -18.056 9.630 -10.206 1.00 0.00 C ATOM 4 O GLY A 1 -17.157 8.840 -10.000 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.840 11.664 -12.732 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.182 11.562 -11.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.108 10.223 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.618 11.426 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.541 10.045 -12.201 1.00 0.00 H new ATOM 10 N SER A 2 -19.086 9.707 -9.408 1.00 0.00 N ATOM 11 CA SER A 2 -19.168 8.823 -8.211 1.00 0.00 C ATOM 12 C SER A 2 -17.871 8.930 -7.406 1.00 0.00 C ATOM 13 O SER A 2 -16.856 8.370 -7.770 1.00 0.00 O ATOM 14 CB SER A 2 -19.371 7.376 -8.660 1.00 0.00 C ATOM 15 OG SER A 2 -18.789 6.501 -7.703 1.00 0.00 O ATOM 0 H SER A 2 -19.873 10.343 -9.533 1.00 0.00 H new ATOM 0 HA SER A 2 -20.008 9.132 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.434 7.162 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.915 7.219 -9.638 1.00 0.00 H new ATOM 0 HG SER A 2 -19.415 5.774 -7.501 1.00 0.00 H new ATOM 21 N MET A 3 -17.897 9.646 -6.316 1.00 0.00 N ATOM 22 CA MET A 3 -16.665 9.791 -5.490 1.00 0.00 C ATOM 23 C MET A 3 -16.477 8.537 -4.632 1.00 0.00 C ATOM 24 O MET A 3 -17.287 8.228 -3.782 1.00 0.00 O ATOM 25 CB MET A 3 -16.800 11.015 -4.581 1.00 0.00 C ATOM 26 CG MET A 3 -18.274 11.398 -4.459 1.00 0.00 C ATOM 27 SD MET A 3 -18.451 12.741 -3.256 1.00 0.00 S ATOM 28 CE MET A 3 -18.298 11.731 -1.763 1.00 0.00 C ATOM 0 H MET A 3 -18.718 10.137 -5.961 1.00 0.00 H new ATOM 0 HA MET A 3 -15.802 9.918 -6.144 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.387 10.797 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.229 11.849 -4.989 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.661 11.711 -5.429 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.860 10.534 -4.145 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.218 11.797 -1.183 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.119 10.693 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.464 12.094 -1.162 1.00 0.00 H new ATOM 38 N GLU A 4 -15.413 7.813 -4.850 1.00 0.00 N ATOM 39 CA GLU A 4 -15.170 6.586 -4.041 1.00 0.00 C ATOM 40 C GLU A 4 -13.671 6.446 -3.764 1.00 0.00 C ATOM 41 O GLU A 4 -12.931 7.407 -3.809 1.00 0.00 O ATOM 42 CB GLU A 4 -15.662 5.360 -4.815 1.00 0.00 C ATOM 43 CG GLU A 4 -17.186 5.408 -4.932 1.00 0.00 C ATOM 44 CD GLU A 4 -17.667 4.252 -5.812 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.828 3.497 -6.275 1.00 0.00 O ATOM 46 OE2 GLU A 4 -18.868 4.143 -6.008 1.00 0.00 O ATOM 0 H GLU A 4 -14.703 8.018 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.709 6.661 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.211 5.338 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.354 4.447 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.640 5.340 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.499 6.360 -5.361 1.00 0.00 H new ATOM 53 N ARG A 5 -13.220 5.255 -3.479 1.00 0.00 N ATOM 54 CA ARG A 5 -11.770 5.055 -3.204 1.00 0.00 C ATOM 55 C ARG A 5 -10.995 5.063 -4.523 1.00 0.00 C ATOM 56 O ARG A 5 -11.455 4.559 -5.528 1.00 0.00 O ATOM 57 CB ARG A 5 -11.564 3.711 -2.499 1.00 0.00 C ATOM 58 CG ARG A 5 -12.139 2.589 -3.364 1.00 0.00 C ATOM 59 CD ARG A 5 -11.951 1.248 -2.652 1.00 0.00 C ATOM 60 NE ARG A 5 -12.510 0.155 -3.496 1.00 0.00 N ATOM 61 CZ ARG A 5 -12.681 -1.036 -2.992 1.00 0.00 C ATOM 62 NH1 ARG A 5 -12.361 -1.271 -1.748 1.00 0.00 N ATOM 63 NH2 ARG A 5 -13.170 -1.994 -3.731 1.00 0.00 N ATOM 0 H ARG A 5 -13.793 4.413 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.407 5.860 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.502 3.540 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.053 3.720 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.198 2.767 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.641 2.571 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.892 1.070 -2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.450 1.265 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.759 0.338 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.977 -0.523 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.495 -2.202 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.419 -1.812 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.303 -2.925 -3.336 1.00 0.00 H new ATOM 77 N LYS A 6 -9.821 5.633 -4.528 1.00 0.00 N ATOM 78 CA LYS A 6 -9.017 5.670 -5.783 1.00 0.00 C ATOM 79 C LYS A 6 -7.751 4.829 -5.602 1.00 0.00 C ATOM 80 O LYS A 6 -6.878 5.162 -4.827 1.00 0.00 O ATOM 81 CB LYS A 6 -8.627 7.116 -6.097 1.00 0.00 C ATOM 82 CG LYS A 6 -8.844 7.985 -4.856 1.00 0.00 C ATOM 83 CD LYS A 6 -10.306 8.436 -4.798 1.00 0.00 C ATOM 84 CE LYS A 6 -10.548 9.215 -3.505 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.191 10.646 -3.712 1.00 0.00 N ATOM 0 H LYS A 6 -9.384 6.074 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.608 5.266 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.584 7.163 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.225 7.493 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.589 7.424 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.185 8.853 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.540 9.060 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.967 7.570 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.593 9.129 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.950 8.793 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.356 11.176 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.188 10.719 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.780 11.044 -4.471 1.00 0.00 H new ATOM 99 N ARG A 7 -7.646 3.739 -6.314 1.00 0.00 N ATOM 100 CA ARG A 7 -6.437 2.877 -6.181 1.00 0.00 C ATOM 101 C ARG A 7 -5.241 3.576 -6.831 1.00 0.00 C ATOM 102 O ARG A 7 -5.387 4.555 -7.536 1.00 0.00 O ATOM 103 CB ARG A 7 -6.686 1.538 -6.877 1.00 0.00 C ATOM 104 CG ARG A 7 -7.835 0.806 -6.180 1.00 0.00 C ATOM 105 CD ARG A 7 -8.060 -0.548 -6.853 1.00 0.00 C ATOM 106 NE ARG A 7 -7.003 -1.502 -6.415 1.00 0.00 N ATOM 107 CZ ARG A 7 -7.179 -2.227 -5.345 1.00 0.00 C ATOM 108 NH1 ARG A 7 -8.282 -2.116 -4.656 1.00 0.00 N ATOM 109 NH2 ARG A 7 -6.252 -3.062 -4.963 1.00 0.00 N ATOM 0 H ARG A 7 -8.344 3.409 -6.981 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.228 2.703 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.929 1.701 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.783 0.928 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.603 0.665 -5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.745 1.404 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.045 -0.936 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.037 -0.436 -7.937 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.140 -1.588 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.006 -1.462 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.420 -2.683 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.390 -3.148 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.390 -3.629 -4.126 1.00 0.00 H new ATOM 123 N TRP A 8 -4.056 3.079 -6.601 1.00 0.00 N ATOM 124 CA TRP A 8 -2.851 3.724 -7.196 1.00 0.00 C ATOM 125 C TRP A 8 -1.919 2.645 -7.754 1.00 0.00 C ATOM 126 O TRP A 8 -1.517 1.737 -7.055 1.00 0.00 O ATOM 127 CB TRP A 8 -2.116 4.525 -6.119 1.00 0.00 C ATOM 128 CG TRP A 8 -3.082 5.431 -5.426 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.398 5.371 -4.112 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.862 6.528 -5.985 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.322 6.361 -3.829 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.640 7.100 -4.952 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.968 7.076 -7.276 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.492 8.180 -5.190 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.825 8.161 -7.520 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.586 8.712 -6.479 1.00 0.00 C ATOM 0 H TRP A 8 -3.870 2.256 -6.028 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.157 4.393 -8.001 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.654 3.849 -5.399 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.313 5.108 -6.569 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.995 4.666 -3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.720 6.525 -2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.386 6.659 -8.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.074 8.601 -4.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.899 8.574 -8.515 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.244 9.546 -6.673 1.00 0.00 H new ATOM 147 N GLU A 9 -1.572 2.739 -9.009 1.00 0.00 N ATOM 148 CA GLU A 9 -0.663 1.722 -9.608 1.00 0.00 C ATOM 149 C GLU A 9 0.789 2.184 -9.454 1.00 0.00 C ATOM 150 O GLU A 9 1.187 3.200 -9.988 1.00 0.00 O ATOM 151 CB GLU A 9 -0.990 1.557 -11.093 1.00 0.00 C ATOM 152 CG GLU A 9 -2.376 0.926 -11.242 1.00 0.00 C ATOM 153 CD GLU A 9 -3.447 2.014 -11.138 1.00 0.00 C ATOM 154 OE1 GLU A 9 -3.088 3.146 -10.856 1.00 0.00 O ATOM 155 OE2 GLU A 9 -4.608 1.698 -11.344 1.00 0.00 O ATOM 0 H GLU A 9 -1.879 3.476 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.798 0.768 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.964 2.526 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.239 0.930 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.453 0.415 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.530 0.174 -10.468 1.00 0.00 H new ATOM 162 N CYS A 10 1.581 1.444 -8.728 1.00 0.00 N ATOM 163 CA CYS A 10 3.006 1.841 -8.540 1.00 0.00 C ATOM 164 C CYS A 10 3.919 0.747 -9.096 1.00 0.00 C ATOM 165 O CYS A 10 4.151 -0.262 -8.460 1.00 0.00 O ATOM 166 CB CYS A 10 3.290 2.034 -7.050 1.00 0.00 C ATOM 167 SG CYS A 10 5.027 2.485 -6.819 1.00 0.00 S ATOM 0 H CYS A 10 1.304 0.583 -8.257 1.00 0.00 H new ATOM 0 HA CYS A 10 3.195 2.775 -9.069 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.644 2.813 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.066 1.117 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 10 5.119 3.399 -5.900 1.00 0.00 H new ATOM 173 N PRO A 11 4.431 0.949 -10.279 1.00 0.00 N ATOM 174 CA PRO A 11 5.355 -0.017 -10.938 1.00 0.00 C ATOM 175 C PRO A 11 6.571 -0.342 -10.065 1.00 0.00 C ATOM 176 O PRO A 11 7.175 -1.389 -10.190 1.00 0.00 O ATOM 177 CB PRO A 11 5.789 0.704 -12.214 1.00 0.00 C ATOM 178 CG PRO A 11 4.728 1.721 -12.477 1.00 0.00 C ATOM 179 CD PRO A 11 4.182 2.130 -11.121 1.00 0.00 C ATOM 0 HA PRO A 11 4.871 -0.976 -11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.763 1.177 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.880 0.007 -13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.137 2.581 -13.007 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.939 1.306 -13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.690 3.013 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.120 2.370 -11.172 1.00 0.00 H new ATOM 187 N ALA A 12 6.936 0.549 -9.186 1.00 0.00 N ATOM 188 CA ALA A 12 8.115 0.293 -8.309 1.00 0.00 C ATOM 189 C ALA A 12 7.895 -1.001 -7.524 1.00 0.00 C ATOM 190 O ALA A 12 8.819 -1.746 -7.263 1.00 0.00 O ATOM 191 CB ALA A 12 8.290 1.459 -7.334 1.00 0.00 C ATOM 0 H ALA A 12 6.470 1.444 -9.036 1.00 0.00 H new ATOM 0 HA ALA A 12 9.010 0.197 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.152 1.271 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.448 2.381 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.395 1.557 -6.719 1.00 0.00 H new ATOM 197 N LEU A 13 6.676 -1.276 -7.144 1.00 0.00 N ATOM 198 CA LEU A 13 6.399 -2.525 -6.380 1.00 0.00 C ATOM 199 C LEU A 13 6.079 -3.658 -7.357 1.00 0.00 C ATOM 200 O LEU A 13 5.636 -3.428 -8.465 1.00 0.00 O ATOM 201 CB LEU A 13 5.202 -2.300 -5.452 1.00 0.00 C ATOM 202 CG LEU A 13 5.633 -1.444 -4.261 1.00 0.00 C ATOM 203 CD1 LEU A 13 6.585 -2.247 -3.372 1.00 0.00 C ATOM 204 CD2 LEU A 13 6.349 -0.189 -4.768 1.00 0.00 C ATOM 0 H LEU A 13 5.862 -0.690 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 13 7.274 -2.791 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.395 -1.807 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.813 -3.257 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 13 4.754 -1.155 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.892 -1.636 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.078 -3.142 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.464 -2.536 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.657 0.422 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.228 -0.479 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.673 0.385 -5.402 1.00 0.00 H new ATOM 216 N PRO A 14 6.305 -4.875 -6.942 1.00 0.00 N ATOM 217 CA PRO A 14 6.022 -6.079 -7.777 1.00 0.00 C ATOM 218 C PRO A 14 4.592 -6.082 -8.323 1.00 0.00 C ATOM 219 O PRO A 14 3.673 -5.606 -7.687 1.00 0.00 O ATOM 220 CB PRO A 14 6.229 -7.249 -6.813 1.00 0.00 C ATOM 221 CG PRO A 14 7.119 -6.725 -5.736 1.00 0.00 C ATOM 222 CD PRO A 14 6.855 -5.236 -5.627 1.00 0.00 C ATOM 0 HA PRO A 14 6.665 -6.121 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.279 -7.594 -6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.685 -8.099 -7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.913 -7.223 -4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.166 -6.915 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.151 -5.013 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.769 -4.683 -5.411 1.00 0.00 H new ATOM 230 N GLN A 15 4.398 -6.613 -9.498 1.00 0.00 N ATOM 231 CA GLN A 15 3.028 -6.641 -10.086 1.00 0.00 C ATOM 232 C GLN A 15 2.068 -7.326 -9.112 1.00 0.00 C ATOM 233 O GLN A 15 2.282 -8.447 -8.697 1.00 0.00 O ATOM 234 CB GLN A 15 3.055 -7.418 -11.404 1.00 0.00 C ATOM 235 CG GLN A 15 3.229 -6.442 -12.569 1.00 0.00 C ATOM 236 CD GLN A 15 4.528 -5.656 -12.388 1.00 0.00 C ATOM 237 OE1 GLN A 15 5.551 -6.220 -12.053 1.00 0.00 O ATOM 238 NE2 GLN A 15 4.533 -4.368 -12.599 1.00 0.00 N ATOM 0 H GLN A 15 5.128 -7.029 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 15 2.692 -5.621 -10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.871 -8.140 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.131 -7.983 -11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.250 -6.986 -13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.381 -5.758 -12.614 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.675 -3.894 -12.880 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.395 -3.836 -12.483 1.00 0.00 H new ATOM 247 N GLY A 16 1.010 -6.658 -8.740 1.00 0.00 N ATOM 248 CA GLY A 16 0.030 -7.275 -7.803 1.00 0.00 C ATOM 249 C GLY A 16 -0.155 -6.371 -6.584 1.00 0.00 C ATOM 250 O GLY A 16 -1.156 -6.432 -5.899 1.00 0.00 O ATOM 0 H GLY A 16 0.782 -5.712 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.925 -7.424 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.381 -8.258 -7.489 1.00 0.00 H new ATOM 254 N TRP A 17 0.803 -5.529 -6.307 1.00 0.00 N ATOM 255 CA TRP A 17 0.675 -4.608 -5.142 1.00 0.00 C ATOM 256 C TRP A 17 -0.094 -3.354 -5.565 1.00 0.00 C ATOM 257 O TRP A 17 0.143 -2.795 -6.617 1.00 0.00 O ATOM 258 CB TRP A 17 2.066 -4.213 -4.649 1.00 0.00 C ATOM 259 CG TRP A 17 2.724 -5.393 -4.011 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.212 -6.466 -4.677 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.973 -5.643 -2.597 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.745 -7.356 -3.763 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.622 -6.894 -2.467 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.701 -4.912 -1.426 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.988 -7.401 -1.220 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.069 -5.420 -0.169 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.710 -6.663 -0.067 1.00 0.00 C ATOM 0 H TRP A 17 1.669 -5.439 -6.838 1.00 0.00 H new ATOM 0 HA TRP A 17 0.136 -5.110 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.670 -3.853 -5.482 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.991 -3.394 -3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 17 3.189 -6.604 -5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.176 -8.245 -4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.206 -3.954 -1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.483 -8.358 -1.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.857 -4.850 0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.989 -7.049 0.902 1.00 0.00 H new ATOM 278 N GLU A 18 -1.014 -2.910 -4.753 1.00 0.00 N ATOM 279 CA GLU A 18 -1.810 -1.704 -5.119 1.00 0.00 C ATOM 280 C GLU A 18 -2.064 -0.863 -3.867 1.00 0.00 C ATOM 281 O GLU A 18 -2.051 -1.361 -2.758 1.00 0.00 O ATOM 282 CB GLU A 18 -3.145 -2.138 -5.723 1.00 0.00 C ATOM 283 CG GLU A 18 -2.901 -2.828 -7.066 1.00 0.00 C ATOM 284 CD GLU A 18 -4.233 -3.307 -7.645 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.021 -3.854 -6.891 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.442 -3.121 -8.832 1.00 0.00 O ATOM 0 H GLU A 18 -1.249 -3.329 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.258 -1.111 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.660 -2.816 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.792 -1.272 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.419 -2.138 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.225 -3.673 -6.935 1.00 0.00 H new ATOM 293 N ARG A 19 -2.297 0.411 -4.034 1.00 0.00 N ATOM 294 CA ARG A 19 -2.575 1.279 -2.854 1.00 0.00 C ATOM 295 C ARG A 19 -3.710 2.248 -3.192 1.00 0.00 C ATOM 296 O ARG A 19 -3.787 2.773 -4.285 1.00 0.00 O ATOM 297 CB ARG A 19 -1.317 2.073 -2.497 1.00 0.00 C ATOM 298 CG ARG A 19 -0.080 1.200 -2.721 1.00 0.00 C ATOM 299 CD ARG A 19 0.245 1.151 -4.215 1.00 0.00 C ATOM 300 NE ARG A 19 1.657 1.579 -4.429 1.00 0.00 N ATOM 301 CZ ARG A 19 2.639 0.816 -4.030 1.00 0.00 C ATOM 302 NH1 ARG A 19 2.384 -0.322 -3.445 1.00 0.00 N ATOM 303 NH2 ARG A 19 3.874 1.193 -4.217 1.00 0.00 N ATOM 0 H ARG A 19 -2.307 0.888 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.866 0.659 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.256 2.972 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.362 2.398 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.768 1.602 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.259 0.193 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.098 0.141 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.432 1.803 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 19 1.856 2.468 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.418 -0.615 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.151 -0.918 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.072 2.083 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.642 0.598 -3.906 1.00 0.00 H new ATOM 317 N GLU A 20 -4.595 2.487 -2.262 1.00 0.00 N ATOM 318 CA GLU A 20 -5.743 3.393 -2.544 1.00 0.00 C ATOM 319 C GLU A 20 -5.898 4.394 -1.395 1.00 0.00 C ATOM 320 O GLU A 20 -5.707 4.063 -0.242 1.00 0.00 O ATOM 321 CB GLU A 20 -7.025 2.568 -2.678 1.00 0.00 C ATOM 322 CG GLU A 20 -7.537 2.191 -1.286 1.00 0.00 C ATOM 323 CD GLU A 20 -8.606 1.104 -1.413 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.455 0.250 -2.270 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.558 1.145 -0.652 1.00 0.00 O ATOM 0 H GLU A 20 -4.572 2.094 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.560 3.932 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.783 3.139 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.832 1.668 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.713 1.835 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.952 3.068 -0.790 1.00 0.00 H new ATOM 332 N GLU A 21 -6.245 5.613 -1.703 1.00 0.00 N ATOM 333 CA GLU A 21 -6.447 6.624 -0.627 1.00 0.00 C ATOM 334 C GLU A 21 -7.942 6.755 -0.327 1.00 0.00 C ATOM 335 O GLU A 21 -8.770 6.692 -1.214 1.00 0.00 O ATOM 336 CB GLU A 21 -5.899 7.977 -1.087 1.00 0.00 C ATOM 337 CG GLU A 21 -4.372 7.966 -0.998 1.00 0.00 C ATOM 338 CD GLU A 21 -3.819 9.284 -1.545 1.00 0.00 C ATOM 339 OE1 GLU A 21 -4.614 10.114 -1.953 1.00 0.00 O ATOM 340 OE2 GLU A 21 -2.609 9.438 -1.549 1.00 0.00 O ATOM 0 H GLU A 21 -6.397 5.953 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.921 6.307 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.213 8.179 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.304 8.776 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.058 7.830 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.970 7.127 -1.566 1.00 0.00 H new ATOM 347 N VAL A 22 -8.295 6.934 0.916 1.00 0.00 N ATOM 348 CA VAL A 22 -9.738 7.058 1.270 1.00 0.00 C ATOM 349 C VAL A 22 -9.900 8.047 2.427 1.00 0.00 C ATOM 350 O VAL A 22 -9.318 7.882 3.481 1.00 0.00 O ATOM 351 CB VAL A 22 -10.277 5.690 1.689 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.562 5.875 2.500 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.580 4.858 0.442 1.00 0.00 C ATOM 0 H VAL A 22 -7.648 7.000 1.702 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.294 7.420 0.405 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.532 5.177 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.947 4.900 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.349 6.469 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.306 6.388 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.964 3.882 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.325 5.371 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.667 4.726 -0.138 1.00 0.00 H new ATOM 363 N PRO A 23 -10.689 9.065 2.226 1.00 0.00 N ATOM 364 CA PRO A 23 -10.947 10.105 3.261 1.00 0.00 C ATOM 365 C PRO A 23 -11.881 9.603 4.366 1.00 0.00 C ATOM 366 O PRO A 23 -12.886 8.973 4.102 1.00 0.00 O ATOM 367 CB PRO A 23 -11.607 11.240 2.477 1.00 0.00 C ATOM 368 CG PRO A 23 -12.269 10.583 1.310 1.00 0.00 C ATOM 369 CD PRO A 23 -11.425 9.336 0.981 1.00 0.00 C ATOM 0 HA PRO A 23 -10.032 10.404 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.333 11.772 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.869 11.972 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.295 10.306 1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.313 11.259 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.054 8.492 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.746 9.522 0.149 1.00 0.00 H new ATOM 377 N ARG A 24 -11.558 9.877 5.600 1.00 0.00 N ATOM 378 CA ARG A 24 -12.433 9.421 6.717 1.00 0.00 C ATOM 379 C ARG A 24 -13.644 10.349 6.828 1.00 0.00 C ATOM 380 O ARG A 24 -13.672 11.420 6.255 1.00 0.00 O ATOM 381 CB ARG A 24 -11.645 9.451 8.028 1.00 0.00 C ATOM 382 CG ARG A 24 -10.467 8.479 7.937 1.00 0.00 C ATOM 383 CD ARG A 24 -9.613 8.591 9.202 1.00 0.00 C ATOM 384 NE ARG A 24 -10.391 8.094 10.372 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.376 6.824 10.673 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.679 5.990 9.951 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.058 6.389 11.697 1.00 0.00 N ATOM 0 H ARG A 24 -10.727 10.396 5.883 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.772 8.404 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.283 10.460 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.293 9.177 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.832 7.459 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.864 8.703 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.697 8.011 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.316 9.627 9.363 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.935 8.746 10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.146 6.330 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.668 4.998 10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.602 7.041 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.047 5.397 11.933 1.00 0.00 H new ATOM 401 N ARG A 25 -14.646 9.948 7.561 1.00 0.00 N ATOM 402 CA ARG A 25 -15.859 10.801 7.698 1.00 0.00 C ATOM 403 C ARG A 25 -16.768 10.226 8.785 1.00 0.00 C ATOM 404 O ARG A 25 -17.734 10.842 9.190 1.00 0.00 O ATOM 405 CB ARG A 25 -16.614 10.833 6.368 1.00 0.00 C ATOM 406 CG ARG A 25 -17.667 11.942 6.403 1.00 0.00 C ATOM 407 CD ARG A 25 -18.383 12.010 5.052 1.00 0.00 C ATOM 408 NE ARG A 25 -19.149 10.751 4.832 1.00 0.00 N ATOM 409 CZ ARG A 25 -19.765 10.553 3.698 1.00 0.00 C ATOM 410 NH1 ARG A 25 -19.710 11.456 2.759 1.00 0.00 N ATOM 411 NH2 ARG A 25 -20.436 9.450 3.504 1.00 0.00 N ATOM 0 H ARG A 25 -14.677 9.065 8.071 1.00 0.00 H new ATOM 0 HA ARG A 25 -15.561 11.813 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.918 11.004 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.091 9.870 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -18.387 11.749 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.195 12.899 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.056 12.867 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.658 12.152 4.251 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.192 10.045 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.185 12.318 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.191 11.301 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.479 8.743 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.917 9.295 2.618 1.00 0.00 H new ATOM 425 N SER A 26 -16.466 9.049 9.263 1.00 0.00 N ATOM 426 CA SER A 26 -17.316 8.436 10.323 1.00 0.00 C ATOM 427 C SER A 26 -16.437 8.029 11.508 1.00 0.00 C ATOM 428 O SER A 26 -16.911 7.858 12.613 1.00 0.00 O ATOM 429 CB SER A 26 -18.020 7.201 9.760 1.00 0.00 C ATOM 430 OG SER A 26 -18.996 6.753 10.691 1.00 0.00 O ATOM 0 H SER A 26 -15.669 8.487 8.966 1.00 0.00 H new ATOM 0 HA SER A 26 -18.062 9.158 10.656 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.492 7.440 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.295 6.411 9.567 1.00 0.00 H new ATOM 0 HG SER A 26 -19.451 5.962 10.333 1.00 0.00 H new ATOM 436 N GLY A 27 -15.162 7.869 11.284 1.00 0.00 N ATOM 437 CA GLY A 27 -14.254 7.469 12.398 1.00 0.00 C ATOM 438 C GLY A 27 -14.044 8.656 13.338 1.00 0.00 C ATOM 439 O GLY A 27 -14.357 9.783 13.010 1.00 0.00 O ATOM 0 H GLY A 27 -14.709 7.998 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.682 6.629 12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.297 7.135 11.998 1.00 0.00 H new ATOM 443 N LEU A 28 -13.515 8.413 14.506 1.00 0.00 N ATOM 444 CA LEU A 28 -13.283 9.528 15.466 1.00 0.00 C ATOM 445 C LEU A 28 -12.287 10.521 14.863 1.00 0.00 C ATOM 446 O LEU A 28 -12.443 11.720 14.981 1.00 0.00 O ATOM 447 CB LEU A 28 -12.717 8.968 16.773 1.00 0.00 C ATOM 448 CG LEU A 28 -12.481 10.113 17.759 1.00 0.00 C ATOM 449 CD1 LEU A 28 -13.803 10.827 18.039 1.00 0.00 C ATOM 450 CD2 LEU A 28 -11.921 9.549 19.067 1.00 0.00 C ATOM 0 H LEU A 28 -13.234 7.490 14.837 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.226 10.036 15.667 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.410 8.243 17.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.782 8.441 16.581 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.770 10.820 17.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.634 11.643 18.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.205 11.227 17.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.514 10.121 18.467 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.752 10.363 19.771 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.633 8.843 19.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.978 9.039 18.869 1.00 0.00 H new ATOM 462 N SER A 29 -11.265 10.031 14.217 1.00 0.00 N ATOM 463 CA SER A 29 -10.260 10.949 13.608 1.00 0.00 C ATOM 464 C SER A 29 -10.799 11.486 12.282 1.00 0.00 C ATOM 465 O SER A 29 -10.067 12.024 11.475 1.00 0.00 O ATOM 466 CB SER A 29 -8.959 10.185 13.359 1.00 0.00 C ATOM 467 OG SER A 29 -9.209 9.114 12.458 1.00 0.00 O ATOM 0 H SER A 29 -11.082 9.036 14.084 1.00 0.00 H new ATOM 0 HA SER A 29 -10.069 11.781 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.204 10.854 12.946 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.564 9.800 14.299 1.00 0.00 H new ATOM 0 HG SER A 29 -8.377 8.623 12.295 1.00 0.00 H new ATOM 473 N ALA A 30 -12.076 11.344 12.048 1.00 0.00 N ATOM 474 CA ALA A 30 -12.661 11.851 10.775 1.00 0.00 C ATOM 475 C ALA A 30 -11.957 13.148 10.371 1.00 0.00 C ATOM 476 O ALA A 30 -11.452 13.876 11.201 1.00 0.00 O ATOM 477 CB ALA A 30 -14.154 12.120 10.972 1.00 0.00 C ATOM 0 H ALA A 30 -12.738 10.899 12.683 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.527 11.106 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.583 12.491 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.655 11.196 11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.289 12.865 11.756 1.00 0.00 H new ATOM 483 N GLY A 31 -11.921 13.442 9.100 1.00 0.00 N ATOM 484 CA GLY A 31 -11.242 14.688 8.644 1.00 0.00 C ATOM 485 C GLY A 31 -9.874 14.339 8.053 1.00 0.00 C ATOM 486 O GLY A 31 -9.440 14.925 7.082 1.00 0.00 O ATOM 0 H GLY A 31 -12.332 12.874 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.853 15.195 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.123 15.377 9.480 1.00 0.00 H new ATOM 490 N HIS A 32 -9.194 13.388 8.632 1.00 0.00 N ATOM 491 CA HIS A 32 -7.860 12.996 8.097 1.00 0.00 C ATOM 492 C HIS A 32 -8.042 11.971 6.974 1.00 0.00 C ATOM 493 O HIS A 32 -9.116 11.439 6.775 1.00 0.00 O ATOM 494 CB HIS A 32 -7.021 12.381 9.216 1.00 0.00 C ATOM 495 CG HIS A 32 -6.693 13.436 10.237 1.00 0.00 C ATOM 496 ND1 HIS A 32 -6.674 13.169 11.599 1.00 0.00 N ATOM 497 CD2 HIS A 32 -6.371 14.767 10.110 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.349 14.312 12.232 1.00 0.00 C ATOM 499 NE2 HIS A 32 -6.156 15.311 11.370 1.00 0.00 N ATOM 0 H HIS A 32 -9.504 12.866 9.452 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.353 13.878 7.706 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.567 11.563 9.686 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.103 11.959 8.807 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.297 15.305 9.177 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.256 14.408 13.304 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.903 16.274 11.590 1.00 0.00 H new ATOM 508 N ARG A 33 -7.002 11.691 6.239 1.00 0.00 N ATOM 509 CA ARG A 33 -7.120 10.710 5.125 1.00 0.00 C ATOM 510 C ARG A 33 -6.254 9.486 5.428 1.00 0.00 C ATOM 511 O ARG A 33 -5.083 9.600 5.728 1.00 0.00 O ATOM 512 CB ARG A 33 -6.645 11.359 3.822 1.00 0.00 C ATOM 513 CG ARG A 33 -7.589 12.502 3.447 1.00 0.00 C ATOM 514 CD ARG A 33 -7.094 13.174 2.166 1.00 0.00 C ATOM 515 NE ARG A 33 -8.036 14.264 1.780 1.00 0.00 N ATOM 516 CZ ARG A 33 -7.787 15.000 0.732 1.00 0.00 C ATOM 517 NH1 ARG A 33 -6.713 14.783 0.022 1.00 0.00 N ATOM 518 NH2 ARG A 33 -8.611 15.953 0.394 1.00 0.00 N ATOM 0 H ARG A 33 -6.075 12.099 6.362 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.161 10.402 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.629 11.736 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.619 10.618 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.600 12.120 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.636 13.230 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.094 13.580 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.021 12.441 1.363 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.875 14.434 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.069 14.038 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.518 15.358 -0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.450 16.123 0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.417 16.529 -0.425 1.00 0.00 H new ATOM 532 N ASP A 34 -6.822 8.313 5.353 1.00 0.00 N ATOM 533 CA ASP A 34 -6.031 7.082 5.634 1.00 0.00 C ATOM 534 C ASP A 34 -5.755 6.344 4.322 1.00 0.00 C ATOM 535 O ASP A 34 -6.618 6.216 3.477 1.00 0.00 O ATOM 536 CB ASP A 34 -6.821 6.171 6.575 1.00 0.00 C ATOM 537 CG ASP A 34 -6.704 6.691 8.008 1.00 0.00 C ATOM 538 OD1 ASP A 34 -6.282 7.824 8.174 1.00 0.00 O ATOM 539 OD2 ASP A 34 -7.037 5.948 8.917 1.00 0.00 O ATOM 0 H ASP A 34 -7.800 8.154 5.109 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.086 7.356 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.868 6.139 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.441 5.151 6.515 1.00 0.00 H new ATOM 544 N VAL A 35 -4.557 5.858 4.145 1.00 0.00 N ATOM 545 CA VAL A 35 -4.230 5.121 2.892 1.00 0.00 C ATOM 546 C VAL A 35 -4.119 3.625 3.196 1.00 0.00 C ATOM 547 O VAL A 35 -3.507 3.223 4.165 1.00 0.00 O ATOM 548 CB VAL A 35 -2.900 5.629 2.333 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.775 5.227 0.863 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.848 7.154 2.451 1.00 0.00 C ATOM 0 H VAL A 35 -3.791 5.939 4.814 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.018 5.285 2.157 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.078 5.191 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.827 5.590 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.812 4.141 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.597 5.663 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.901 7.518 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.671 7.591 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.935 7.441 3.499 1.00 0.00 H new ATOM 560 N PHE A 36 -4.704 2.799 2.373 1.00 0.00 N ATOM 561 CA PHE A 36 -4.631 1.331 2.615 1.00 0.00 C ATOM 562 C PHE A 36 -3.818 0.669 1.501 1.00 0.00 C ATOM 563 O PHE A 36 -3.911 1.039 0.348 1.00 0.00 O ATOM 564 CB PHE A 36 -6.045 0.746 2.632 1.00 0.00 C ATOM 565 CG PHE A 36 -6.806 1.302 3.811 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.719 0.675 5.059 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.601 2.444 3.655 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.425 1.192 6.152 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.307 2.961 4.748 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.218 2.335 5.997 1.00 0.00 C ATOM 0 H PHE A 36 -5.229 3.077 1.544 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.149 1.145 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.562 0.990 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.999 -0.341 2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.108 -0.207 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.670 2.926 2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.358 0.709 7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.920 3.842 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.761 2.734 6.841 1.00 0.00 H new ATOM 580 N TYR A 37 -3.020 -0.307 1.837 1.00 0.00 N ATOM 581 CA TYR A 37 -2.190 -0.983 0.798 1.00 0.00 C ATOM 582 C TYR A 37 -2.647 -2.436 0.650 1.00 0.00 C ATOM 583 O TYR A 37 -2.986 -3.092 1.614 1.00 0.00 O ATOM 584 CB TYR A 37 -0.720 -0.949 1.218 1.00 0.00 C ATOM 585 CG TYR A 37 -0.229 0.479 1.213 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.716 1.391 2.157 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.715 0.891 0.264 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.260 2.715 2.152 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.170 2.215 0.260 1.00 0.00 C ATOM 590 CZ TYR A 37 0.682 3.127 1.203 1.00 0.00 C ATOM 591 OH TYR A 37 1.132 4.432 1.198 1.00 0.00 O ATOM 0 H TYR A 37 -2.906 -0.666 2.785 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.306 -0.466 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.604 -1.381 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.122 -1.553 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.444 1.073 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.092 0.188 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.635 3.418 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.898 2.533 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 37 1.430 4.679 2.099 1.00 0.00 H new ATOM 601 N TYR A 38 -2.658 -2.943 -0.554 1.00 0.00 N ATOM 602 CA TYR A 38 -3.101 -4.349 -0.764 1.00 0.00 C ATOM 603 C TYR A 38 -1.988 -5.136 -1.459 1.00 0.00 C ATOM 604 O TYR A 38 -1.385 -4.673 -2.408 1.00 0.00 O ATOM 605 CB TYR A 38 -4.358 -4.363 -1.638 1.00 0.00 C ATOM 606 CG TYR A 38 -5.449 -3.569 -0.960 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.571 -2.196 -1.207 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.338 -4.206 -0.086 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.583 -1.460 -0.579 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.350 -3.470 0.540 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.474 -2.097 0.294 1.00 0.00 C ATOM 612 OH TYR A 38 -8.471 -1.371 0.911 1.00 0.00 O ATOM 0 H TYR A 38 -2.380 -2.444 -1.399 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.323 -4.808 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.138 -3.938 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.688 -5.389 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.885 -1.705 -1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.243 -5.265 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.677 -0.401 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.036 -3.961 1.214 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.002 -1.964 1.483 1.00 0.00 H new ATOM 622 N SER A 39 -1.710 -6.324 -0.996 1.00 0.00 N ATOM 623 CA SER A 39 -0.642 -7.144 -1.636 1.00 0.00 C ATOM 624 C SER A 39 -1.277 -8.128 -2.620 1.00 0.00 C ATOM 625 O SER A 39 -2.482 -8.192 -2.757 1.00 0.00 O ATOM 626 CB SER A 39 0.120 -7.919 -0.560 1.00 0.00 C ATOM 627 OG SER A 39 -0.228 -9.294 -0.638 1.00 0.00 O ATOM 0 H SER A 39 -2.176 -6.763 -0.202 1.00 0.00 H new ATOM 0 HA SER A 39 0.048 -6.490 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.194 -7.795 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.122 -7.526 0.428 1.00 0.00 H new ATOM 0 HG SER A 39 0.260 -9.794 0.049 1.00 0.00 H new ATOM 633 N PRO A 40 -0.464 -8.887 -3.300 1.00 0.00 N ATOM 634 CA PRO A 40 -0.937 -9.887 -4.300 1.00 0.00 C ATOM 635 C PRO A 40 -1.957 -10.864 -3.706 1.00 0.00 C ATOM 636 O PRO A 40 -2.840 -11.345 -4.388 1.00 0.00 O ATOM 637 CB PRO A 40 0.337 -10.629 -4.708 1.00 0.00 C ATOM 638 CG PRO A 40 1.459 -9.695 -4.395 1.00 0.00 C ATOM 639 CD PRO A 40 1.003 -8.876 -3.187 1.00 0.00 C ATOM 0 HA PRO A 40 -1.448 -9.410 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.440 -11.564 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.321 -10.883 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.373 -10.245 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.677 -9.048 -5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.337 -9.322 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.400 -7.861 -3.216 1.00 0.00 H new ATOM 647 N SER A 41 -1.840 -11.160 -2.440 1.00 0.00 N ATOM 648 CA SER A 41 -2.808 -12.097 -1.802 1.00 0.00 C ATOM 649 C SER A 41 -4.009 -11.309 -1.275 1.00 0.00 C ATOM 650 O SER A 41 -4.868 -11.845 -0.605 1.00 0.00 O ATOM 651 CB SER A 41 -2.126 -12.822 -0.642 1.00 0.00 C ATOM 652 OG SER A 41 -1.106 -13.671 -1.154 1.00 0.00 O ATOM 0 H SER A 41 -1.117 -10.794 -1.821 1.00 0.00 H new ATOM 0 HA SER A 41 -3.146 -12.826 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.699 -12.099 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.857 -13.408 -0.084 1.00 0.00 H new ATOM 0 HG SER A 41 -0.665 -14.136 -0.413 1.00 0.00 H new ATOM 658 N GLY A 42 -4.076 -10.041 -1.574 1.00 0.00 N ATOM 659 CA GLY A 42 -5.217 -9.218 -1.082 1.00 0.00 C ATOM 660 C GLY A 42 -4.974 -8.821 0.374 1.00 0.00 C ATOM 661 O GLY A 42 -5.849 -8.313 1.045 1.00 0.00 O ATOM 0 H GLY A 42 -3.390 -9.539 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.328 -8.326 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.147 -9.781 -1.166 1.00 0.00 H new ATOM 665 N LYS A 43 -3.788 -9.048 0.870 1.00 0.00 N ATOM 666 CA LYS A 43 -3.487 -8.680 2.282 1.00 0.00 C ATOM 667 C LYS A 43 -3.581 -7.162 2.444 1.00 0.00 C ATOM 668 O LYS A 43 -2.904 -6.413 1.768 1.00 0.00 O ATOM 669 CB LYS A 43 -2.074 -9.145 2.642 1.00 0.00 C ATOM 670 CG LYS A 43 -1.723 -8.669 4.052 1.00 0.00 C ATOM 671 CD LYS A 43 -0.300 -9.110 4.401 1.00 0.00 C ATOM 672 CE LYS A 43 0.119 -8.480 5.730 1.00 0.00 C ATOM 673 NZ LYS A 43 1.489 -8.946 6.089 1.00 0.00 N ATOM 0 H LYS A 43 -3.015 -9.472 0.358 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.207 -9.162 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.013 -10.232 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.356 -8.749 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.803 -7.584 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.430 -9.081 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.252 -10.197 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.389 -8.810 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.102 -7.393 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.587 -8.754 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.876 -8.340 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.444 -9.929 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.104 -8.895 5.252 1.00 0.00 H new ATOM 687 N LYS A 44 -4.415 -6.701 3.337 1.00 0.00 N ATOM 688 CA LYS A 44 -4.533 -5.232 3.558 1.00 0.00 C ATOM 689 C LYS A 44 -3.646 -4.819 4.734 1.00 0.00 C ATOM 690 O LYS A 44 -3.731 -5.372 5.811 1.00 0.00 O ATOM 691 CB LYS A 44 -5.990 -4.879 3.869 1.00 0.00 C ATOM 692 CG LYS A 44 -6.588 -5.947 4.787 1.00 0.00 C ATOM 693 CD LYS A 44 -7.882 -5.417 5.409 1.00 0.00 C ATOM 694 CE LYS A 44 -8.948 -5.267 4.323 1.00 0.00 C ATOM 695 NZ LYS A 44 -10.287 -5.119 4.959 1.00 0.00 N ATOM 0 H LYS A 44 -5.019 -7.278 3.922 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.214 -4.703 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.044 -3.901 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.565 -4.815 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.790 -6.857 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.876 -6.209 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.231 -6.099 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.700 -4.456 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.730 -4.398 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.939 -6.137 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.013 -5.017 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.493 -5.961 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.291 -4.276 5.567 1.00 0.00 H new ATOM 709 N PHE A 45 -2.793 -3.852 4.534 1.00 0.00 N ATOM 710 CA PHE A 45 -1.900 -3.406 5.641 1.00 0.00 C ATOM 711 C PHE A 45 -1.782 -1.880 5.618 1.00 0.00 C ATOM 712 O PHE A 45 -1.808 -1.262 4.573 1.00 0.00 O ATOM 713 CB PHE A 45 -0.514 -4.028 5.457 1.00 0.00 C ATOM 714 CG PHE A 45 -0.138 -4.000 3.995 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.794 -4.839 3.088 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.866 -3.133 3.546 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.446 -4.814 1.732 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.214 -3.108 2.189 1.00 0.00 C ATOM 719 CZ PHE A 45 0.558 -3.948 1.282 1.00 0.00 C ATOM 0 H PHE A 45 -2.676 -3.352 3.653 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.318 -3.723 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.223 -3.479 6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.513 -5.054 5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.569 -5.506 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.372 -2.484 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.952 -5.463 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.989 -2.440 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.826 -3.928 0.236 1.00 0.00 H new ATOM 729 N ARG A 46 -1.654 -1.269 6.764 1.00 0.00 N ATOM 730 CA ARG A 46 -1.517 0.214 6.806 1.00 0.00 C ATOM 731 C ARG A 46 -0.392 0.597 7.769 1.00 0.00 C ATOM 732 O ARG A 46 -0.581 1.382 8.677 1.00 0.00 O ATOM 733 CB ARG A 46 -2.832 0.834 7.283 1.00 0.00 C ATOM 734 CG ARG A 46 -3.292 0.131 8.561 1.00 0.00 C ATOM 735 CD ARG A 46 -4.629 0.721 9.016 1.00 0.00 C ATOM 736 NE ARG A 46 -5.068 0.050 10.271 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.697 -1.093 10.213 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.943 -1.646 9.058 1.00 0.00 N ATOM 739 NH2 ARG A 46 -6.082 -1.681 11.313 1.00 0.00 N ATOM 0 H ARG A 46 -1.638 -1.733 7.672 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.281 0.585 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.698 1.900 7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.593 0.739 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.397 -0.939 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.544 0.252 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.528 1.794 9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.381 0.588 8.238 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.878 0.483 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.644 -1.186 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.434 -2.539 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.891 -1.248 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.573 -2.574 11.269 1.00 0.00 H new ATOM 753 N SER A 47 0.776 0.047 7.581 1.00 0.00 N ATOM 754 CA SER A 47 1.910 0.377 8.488 1.00 0.00 C ATOM 755 C SER A 47 3.233 0.044 7.796 1.00 0.00 C ATOM 756 O SER A 47 3.332 -0.914 7.054 1.00 0.00 O ATOM 757 CB SER A 47 1.788 -0.441 9.774 1.00 0.00 C ATOM 758 OG SER A 47 2.506 -1.658 9.627 1.00 0.00 O ATOM 0 H SER A 47 0.994 -0.617 6.838 1.00 0.00 H new ATOM 0 HA SER A 47 1.884 1.440 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.180 0.126 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.740 -0.648 9.989 1.00 0.00 H new ATOM 0 HG SER A 47 2.431 -2.184 10.451 1.00 0.00 H new ATOM 764 N LYS A 48 4.251 0.825 8.031 1.00 0.00 N ATOM 765 CA LYS A 48 5.563 0.559 7.377 1.00 0.00 C ATOM 766 C LYS A 48 6.172 -0.719 7.960 1.00 0.00 C ATOM 767 O LYS A 48 6.711 -1.541 7.246 1.00 0.00 O ATOM 768 CB LYS A 48 6.507 1.735 7.629 1.00 0.00 C ATOM 769 CG LYS A 48 7.345 1.995 6.375 1.00 0.00 C ATOM 770 CD LYS A 48 6.574 2.914 5.427 1.00 0.00 C ATOM 771 CE LYS A 48 7.252 2.917 4.055 1.00 0.00 C ATOM 772 NZ LYS A 48 7.427 4.323 3.591 1.00 0.00 N ATOM 0 H LYS A 48 4.231 1.637 8.648 1.00 0.00 H new ATOM 0 HA LYS A 48 5.416 0.436 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.934 2.626 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.158 1.517 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.296 2.452 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.576 1.053 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.542 2.575 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.542 3.926 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.220 2.419 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.650 2.358 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.798 4.502 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.191 4.976 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.415 4.473 3.301 1.00 0.00 H new ATOM 786 N PRO A 49 6.084 -0.878 9.252 1.00 0.00 N ATOM 787 CA PRO A 49 6.632 -2.069 9.960 1.00 0.00 C ATOM 788 C PRO A 49 6.042 -3.380 9.431 1.00 0.00 C ATOM 789 O PRO A 49 6.753 -4.317 9.132 1.00 0.00 O ATOM 790 CB PRO A 49 6.225 -1.849 11.418 1.00 0.00 C ATOM 791 CG PRO A 49 5.996 -0.379 11.548 1.00 0.00 C ATOM 792 CD PRO A 49 5.447 0.069 10.181 1.00 0.00 C ATOM 0 HA PRO A 49 7.709 -2.161 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.323 -2.410 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.006 -2.187 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.288 -0.160 12.347 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.921 0.143 11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.360 0.006 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.715 1.101 9.955 1.00 0.00 H new ATOM 800 N GLN A 50 4.744 -3.450 9.314 1.00 0.00 N ATOM 801 CA GLN A 50 4.110 -4.696 8.795 1.00 0.00 C ATOM 802 C GLN A 50 4.513 -4.900 7.332 1.00 0.00 C ATOM 803 O GLN A 50 4.742 -6.010 6.891 1.00 0.00 O ATOM 804 CB GLN A 50 2.588 -4.572 8.892 1.00 0.00 C ATOM 805 CG GLN A 50 1.937 -5.865 8.396 1.00 0.00 C ATOM 806 CD GLN A 50 0.435 -5.821 8.678 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.280 -4.842 8.192 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 -0.096 -6.687 9.346 1.00 0.00 N flip ATOM 0 H GLN A 50 4.096 -2.700 9.555 1.00 0.00 H new ATOM 0 HA GLN A 50 4.443 -5.548 9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.294 -4.377 9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.243 -3.727 8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.114 -5.987 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.386 -6.725 8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.462 -7.452 9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.099 -6.649 9.526 1.00 0.00 H new ATOM 817 N LEU A 51 4.598 -3.840 6.576 1.00 0.00 N ATOM 818 CA LEU A 51 4.978 -3.976 5.141 1.00 0.00 C ATOM 819 C LEU A 51 6.403 -4.521 5.040 1.00 0.00 C ATOM 820 O LEU A 51 6.682 -5.415 4.266 1.00 0.00 O ATOM 821 CB LEU A 51 4.905 -2.608 4.463 1.00 0.00 C ATOM 822 CG LEU A 51 5.412 -2.723 3.024 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.626 -3.812 2.293 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.214 -1.385 2.307 1.00 0.00 C ATOM 0 H LEU A 51 4.421 -2.886 6.890 1.00 0.00 H new ATOM 0 HA LEU A 51 4.291 -4.663 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.879 -2.241 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.505 -1.885 5.015 1.00 0.00 H new ATOM 0 HG LEU A 51 6.471 -2.981 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.986 -3.895 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.763 -4.765 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.567 -3.554 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.575 -1.465 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.154 -1.129 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.772 -0.607 2.828 1.00 0.00 H new ATOM 836 N ALA A 52 7.308 -3.990 5.816 1.00 0.00 N ATOM 837 CA ALA A 52 8.717 -4.474 5.758 1.00 0.00 C ATOM 838 C ALA A 52 8.778 -5.923 6.247 1.00 0.00 C ATOM 839 O ALA A 52 9.435 -6.760 5.659 1.00 0.00 O ATOM 840 CB ALA A 52 9.595 -3.596 6.651 1.00 0.00 C ATOM 0 H ALA A 52 7.133 -3.242 6.487 1.00 0.00 H new ATOM 0 HA ALA A 52 9.078 -4.422 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.625 -3.950 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.551 -2.564 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.235 -3.648 7.679 1.00 0.00 H new ATOM 846 N ARG A 53 8.099 -6.226 7.319 1.00 0.00 N ATOM 847 CA ARG A 53 8.129 -7.618 7.852 1.00 0.00 C ATOM 848 C ARG A 53 7.687 -8.592 6.758 1.00 0.00 C ATOM 849 O ARG A 53 8.269 -9.643 6.576 1.00 0.00 O ATOM 850 CB ARG A 53 7.180 -7.727 9.047 1.00 0.00 C ATOM 851 CG ARG A 53 7.376 -9.081 9.733 1.00 0.00 C ATOM 852 CD ARG A 53 8.497 -8.971 10.767 1.00 0.00 C ATOM 853 NE ARG A 53 8.106 -7.991 11.821 1.00 0.00 N ATOM 854 CZ ARG A 53 9.024 -7.381 12.518 1.00 0.00 C ATOM 855 NH1 ARG A 53 10.286 -7.627 12.292 1.00 0.00 N ATOM 856 NH2 ARG A 53 8.683 -6.523 13.439 1.00 0.00 N ATOM 0 H ARG A 53 7.525 -5.570 7.849 1.00 0.00 H new ATOM 0 HA ARG A 53 9.142 -7.864 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.372 -6.919 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.147 -7.622 8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.450 -9.393 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.622 -9.843 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.690 -9.946 11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.421 -8.653 10.285 1.00 0.00 H new ATOM 0 HE ARG A 53 7.120 -7.798 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.554 -8.296 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.004 -7.150 12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.697 -6.328 13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.402 -6.047 13.983 1.00 0.00 H new ATOM 870 N TYR A 54 6.660 -8.252 6.027 1.00 0.00 N ATOM 871 CA TYR A 54 6.171 -9.167 4.957 1.00 0.00 C ATOM 872 C TYR A 54 7.280 -9.380 3.925 1.00 0.00 C ATOM 873 O TYR A 54 7.623 -10.498 3.591 1.00 0.00 O ATOM 874 CB TYR A 54 4.951 -8.547 4.274 1.00 0.00 C ATOM 875 CG TYR A 54 4.429 -9.494 3.220 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.957 -9.457 1.923 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.417 -10.408 3.539 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.472 -10.336 0.946 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.934 -11.286 2.562 1.00 0.00 C ATOM 880 CZ TYR A 54 3.461 -11.250 1.264 1.00 0.00 C ATOM 881 OH TYR A 54 2.984 -12.115 0.302 1.00 0.00 O ATOM 0 H TYR A 54 6.139 -7.381 6.125 1.00 0.00 H new ATOM 0 HA TYR A 54 5.893 -10.125 5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.174 -8.341 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.220 -7.593 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.737 -8.752 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.009 -10.435 4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.879 -10.308 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.155 -11.992 2.809 1.00 0.00 H new ATOM 0 HH TYR A 54 2.286 -12.683 0.690 1.00 0.00 H new ATOM 891 N LEU A 55 7.842 -8.319 3.414 1.00 0.00 N ATOM 892 CA LEU A 55 8.932 -8.464 2.409 1.00 0.00 C ATOM 893 C LEU A 55 10.276 -8.598 3.129 1.00 0.00 C ATOM 894 O LEU A 55 11.315 -8.713 2.509 1.00 0.00 O ATOM 895 CB LEU A 55 8.960 -7.228 1.506 1.00 0.00 C ATOM 896 CG LEU A 55 9.100 -5.970 2.364 1.00 0.00 C ATOM 897 CD1 LEU A 55 10.566 -5.537 2.400 1.00 0.00 C ATOM 898 CD2 LEU A 55 8.251 -4.847 1.763 1.00 0.00 C ATOM 0 H LEU A 55 7.593 -7.358 3.649 1.00 0.00 H new ATOM 0 HA LEU A 55 8.753 -9.353 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.791 -7.296 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.046 -7.177 0.914 1.00 0.00 H new ATOM 0 HG LEU A 55 8.759 -6.182 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.666 -4.640 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.171 -6.337 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.908 -5.325 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.350 -3.950 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.592 -4.636 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.206 -5.155 1.737 1.00 0.00 H new ATOM 910 N GLY A 56 10.264 -8.586 4.434 1.00 0.00 N ATOM 911 CA GLY A 56 11.542 -8.707 5.191 1.00 0.00 C ATOM 912 C GLY A 56 12.603 -7.809 4.553 1.00 0.00 C ATOM 913 O GLY A 56 12.429 -6.613 4.437 1.00 0.00 O ATOM 0 H GLY A 56 9.425 -8.498 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.388 -8.422 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.880 -9.743 5.191 1.00 0.00 H new ATOM 917 N GLY A 57 13.701 -8.378 4.137 1.00 0.00 N ATOM 918 CA GLY A 57 14.773 -7.555 3.508 1.00 0.00 C ATOM 919 C GLY A 57 14.854 -7.873 2.015 1.00 0.00 C ATOM 920 O GLY A 57 15.908 -7.815 1.414 1.00 0.00 O ATOM 0 H GLY A 57 13.902 -9.376 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.564 -6.495 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.731 -7.760 3.986 1.00 0.00 H new ATOM 924 N SER A 58 13.748 -8.209 1.410 1.00 0.00 N ATOM 925 CA SER A 58 13.764 -8.540 -0.044 1.00 0.00 C ATOM 926 C SER A 58 13.577 -7.260 -0.860 1.00 0.00 C ATOM 927 O SER A 58 13.921 -7.198 -2.024 1.00 0.00 O ATOM 928 CB SER A 58 12.629 -9.515 -0.356 1.00 0.00 C ATOM 929 OG SER A 58 12.675 -9.863 -1.735 1.00 0.00 O ATOM 0 H SER A 58 12.834 -8.269 1.859 1.00 0.00 H new ATOM 0 HA SER A 58 14.718 -8.999 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.723 -10.409 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.668 -9.061 -0.115 1.00 0.00 H new ATOM 0 HG SER A 58 11.949 -10.489 -1.939 1.00 0.00 H new ATOM 935 N MET A 59 13.031 -6.236 -0.261 1.00 0.00 N ATOM 936 CA MET A 59 12.816 -4.965 -1.007 1.00 0.00 C ATOM 937 C MET A 59 13.163 -3.779 -0.104 1.00 0.00 C ATOM 938 O MET A 59 12.713 -3.692 1.022 1.00 0.00 O ATOM 939 CB MET A 59 11.352 -4.867 -1.438 1.00 0.00 C ATOM 940 CG MET A 59 11.150 -5.637 -2.744 1.00 0.00 C ATOM 941 SD MET A 59 12.043 -4.805 -4.080 1.00 0.00 S ATOM 942 CE MET A 59 10.837 -3.488 -4.371 1.00 0.00 C ATOM 0 H MET A 59 12.725 -6.226 0.712 1.00 0.00 H new ATOM 0 HA MET A 59 13.455 -4.949 -1.890 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.705 -5.274 -0.660 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.071 -3.822 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.509 -6.660 -2.634 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.088 -5.696 -2.983 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.438 -3.577 -5.381 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.024 -3.574 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.322 -2.519 -4.257 1.00 0.00 H new ATOM 952 N ASP A 60 13.958 -2.865 -0.588 1.00 0.00 N ATOM 953 CA ASP A 60 14.317 -1.678 0.238 1.00 0.00 C ATOM 954 C ASP A 60 13.313 -0.554 -0.021 1.00 0.00 C ATOM 955 O ASP A 60 13.330 0.080 -1.059 1.00 0.00 O ATOM 956 CB ASP A 60 15.723 -1.202 -0.136 1.00 0.00 C ATOM 957 CG ASP A 60 16.134 -0.048 0.779 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.264 0.491 1.445 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.309 0.275 0.801 1.00 0.00 O ATOM 0 H ASP A 60 14.374 -2.889 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 60 14.294 -1.950 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.433 -2.024 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.744 -0.879 -1.177 1.00 0.00 H new ATOM 964 N LEU A 61 12.437 -0.300 0.913 1.00 0.00 N ATOM 965 CA LEU A 61 11.424 0.772 0.713 1.00 0.00 C ATOM 966 C LEU A 61 11.944 2.083 1.307 1.00 0.00 C ATOM 967 O LEU A 61 11.252 3.083 1.330 1.00 0.00 O ATOM 968 CB LEU A 61 10.120 0.379 1.410 1.00 0.00 C ATOM 969 CG LEU A 61 9.568 -0.900 0.778 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.305 -1.335 1.524 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.226 -0.636 -0.690 1.00 0.00 C ATOM 0 H LEU A 61 12.380 -0.790 1.806 1.00 0.00 H new ATOM 0 HA LEU A 61 11.241 0.903 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.297 0.224 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.391 1.185 1.322 1.00 0.00 H new ATOM 0 HG LEU A 61 10.317 -1.689 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.912 -2.246 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.547 -1.523 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.555 -0.546 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.833 -1.547 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.477 0.153 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.125 -0.326 -1.223 1.00 0.00 H new ATOM 983 N SER A 62 13.158 2.088 1.785 1.00 0.00 N ATOM 984 CA SER A 62 13.724 3.337 2.368 1.00 0.00 C ATOM 985 C SER A 62 13.361 4.526 1.477 1.00 0.00 C ATOM 986 O SER A 62 13.041 5.597 1.954 1.00 0.00 O ATOM 987 CB SER A 62 15.246 3.213 2.457 1.00 0.00 C ATOM 988 OG SER A 62 15.778 4.392 3.046 1.00 0.00 O ATOM 0 H SER A 62 13.782 1.281 1.797 1.00 0.00 H new ATOM 0 HA SER A 62 13.312 3.492 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.517 2.341 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.669 3.066 1.463 1.00 0.00 H new ATOM 0 HG SER A 62 16.753 4.316 3.106 1.00 0.00 H new ATOM 994 N THR A 63 13.406 4.347 0.186 1.00 0.00 N ATOM 995 CA THR A 63 13.049 5.464 -0.735 1.00 0.00 C ATOM 996 C THR A 63 11.603 5.292 -1.207 1.00 0.00 C ATOM 997 O THR A 63 11.310 5.378 -2.383 1.00 0.00 O ATOM 998 CB THR A 63 13.986 5.447 -1.945 1.00 0.00 C ATOM 999 OG1 THR A 63 13.864 4.203 -2.620 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.430 5.636 -1.477 1.00 0.00 C ATOM 0 H THR A 63 13.674 3.476 -0.272 1.00 0.00 H new ATOM 0 HA THR A 63 13.150 6.414 -0.211 1.00 0.00 H new ATOM 0 HB THR A 63 13.717 6.256 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.462 4.192 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.097 5.624 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.523 6.591 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.701 4.828 -0.798 1.00 0.00 H new ATOM 1008 N PHE A 64 10.698 5.051 -0.299 1.00 0.00 N ATOM 1009 CA PHE A 64 9.275 4.863 -0.698 1.00 0.00 C ATOM 1010 C PHE A 64 8.396 5.855 0.065 1.00 0.00 C ATOM 1011 O PHE A 64 8.494 5.987 1.270 1.00 0.00 O ATOM 1012 CB PHE A 64 8.836 3.434 -0.370 1.00 0.00 C ATOM 1013 CG PHE A 64 7.399 3.240 -0.789 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.084 3.051 -2.141 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.381 3.249 0.172 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.751 2.870 -2.531 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.048 3.067 -0.218 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.733 2.878 -1.568 1.00 0.00 C ATOM 0 H PHE A 64 10.882 4.976 0.701 1.00 0.00 H new ATOM 0 HA PHE A 64 9.173 5.036 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.476 2.718 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.943 3.245 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.869 3.045 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.623 3.396 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.508 2.724 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.263 3.073 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.705 2.738 -1.868 1.00 0.00 H new ATOM 1028 N ASP A 65 7.537 6.555 -0.622 1.00 0.00 N ATOM 1029 CA ASP A 65 6.654 7.538 0.065 1.00 0.00 C ATOM 1030 C ASP A 65 5.359 6.846 0.496 1.00 0.00 C ATOM 1031 O ASP A 65 4.492 6.572 -0.311 1.00 0.00 O ATOM 1032 CB ASP A 65 6.323 8.686 -0.891 1.00 0.00 C ATOM 1033 CG ASP A 65 5.594 9.792 -0.128 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.062 9.505 0.930 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.582 10.912 -0.616 1.00 0.00 O ATOM 0 H ASP A 65 7.408 6.489 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 65 7.166 7.933 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.238 9.078 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.701 8.324 -1.710 1.00 0.00 H new ATOM 1040 N PHE A 66 5.220 6.558 1.762 1.00 0.00 N ATOM 1041 CA PHE A 66 3.989 5.869 2.239 1.00 0.00 C ATOM 1042 C PHE A 66 2.822 6.857 2.248 1.00 0.00 C ATOM 1043 O PHE A 66 1.756 6.578 1.735 1.00 0.00 O ATOM 1044 CB PHE A 66 4.219 5.340 3.657 1.00 0.00 C ATOM 1045 CG PHE A 66 3.044 4.486 4.071 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.918 3.181 3.579 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.081 4.999 4.948 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.831 2.389 3.964 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.992 4.206 5.333 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.867 2.902 4.841 1.00 0.00 C ATOM 0 H PHE A 66 5.906 6.771 2.486 1.00 0.00 H new ATOM 0 HA PHE A 66 3.756 5.038 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.138 4.756 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.341 6.171 4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.661 2.786 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.177 6.005 5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.735 1.382 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.249 4.601 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.027 2.291 5.138 1.00 0.00 H new ATOM 1060 N ARG A 67 3.013 8.013 2.823 1.00 0.00 N ATOM 1061 CA ARG A 67 1.911 9.014 2.871 1.00 0.00 C ATOM 1062 C ARG A 67 1.345 9.217 1.463 1.00 0.00 C ATOM 1063 O ARG A 67 0.156 9.382 1.281 1.00 0.00 O ATOM 1064 CB ARG A 67 2.452 10.344 3.398 1.00 0.00 C ATOM 1065 CG ARG A 67 3.216 10.103 4.703 1.00 0.00 C ATOM 1066 CD ARG A 67 2.304 9.393 5.705 1.00 0.00 C ATOM 1067 NE ARG A 67 0.937 9.983 5.634 1.00 0.00 N ATOM 1068 CZ ARG A 67 -0.067 9.369 6.200 1.00 0.00 C ATOM 1069 NH1 ARG A 67 0.127 8.241 6.827 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -1.265 9.884 6.139 1.00 0.00 N ATOM 0 H ARG A 67 3.886 8.307 3.262 1.00 0.00 H new ATOM 0 HA ARG A 67 1.123 8.654 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.110 10.800 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.631 11.041 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.103 9.499 4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.559 11.051 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.264 8.326 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.704 9.495 6.714 1.00 0.00 H new ATOM 0 HE ARG A 67 0.786 10.865 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.063 7.839 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.657 7.762 7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.417 10.766 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.049 9.405 6.581 1.00 0.00 H new ATOM 1084 N THR A 68 2.187 9.205 0.467 1.00 0.00 N ATOM 1085 CA THR A 68 1.696 9.400 -0.927 1.00 0.00 C ATOM 1086 C THR A 68 1.595 8.043 -1.627 1.00 0.00 C ATOM 1087 O THR A 68 1.030 7.926 -2.695 1.00 0.00 O ATOM 1088 CB THR A 68 2.674 10.296 -1.690 1.00 0.00 C ATOM 1089 OG1 THR A 68 3.861 9.568 -1.972 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.013 11.523 -0.843 1.00 0.00 C ATOM 0 H THR A 68 3.194 9.069 0.558 1.00 0.00 H new ATOM 0 HA THR A 68 0.713 9.871 -0.904 1.00 0.00 H new ATOM 0 HB THR A 68 2.216 10.619 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.488 10.141 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.710 12.160 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.101 12.081 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.470 11.204 0.094 1.00 0.00 H new ATOM 1098 N GLY A 69 2.138 7.017 -1.031 1.00 0.00 N ATOM 1099 CA GLY A 69 2.068 5.667 -1.661 1.00 0.00 C ATOM 1100 C GLY A 69 2.799 5.692 -3.005 1.00 0.00 C ATOM 1101 O GLY A 69 2.416 5.023 -3.944 1.00 0.00 O ATOM 0 H GLY A 69 2.627 7.054 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.519 4.924 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.028 5.375 -1.806 1.00 0.00 H new ATOM 1105 N LYS A 70 3.851 6.459 -3.105 1.00 0.00 N ATOM 1106 CA LYS A 70 4.605 6.526 -4.388 1.00 0.00 C ATOM 1107 C LYS A 70 6.088 6.265 -4.122 1.00 0.00 C ATOM 1108 O LYS A 70 6.614 6.609 -3.082 1.00 0.00 O ATOM 1109 CB LYS A 70 4.434 7.914 -5.007 1.00 0.00 C ATOM 1110 CG LYS A 70 2.981 8.104 -5.447 1.00 0.00 C ATOM 1111 CD LYS A 70 2.814 9.485 -6.082 1.00 0.00 C ATOM 1112 CE LYS A 70 1.392 9.628 -6.628 1.00 0.00 C ATOM 1113 NZ LYS A 70 0.446 9.846 -5.498 1.00 0.00 N ATOM 0 H LYS A 70 4.220 7.042 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 70 4.221 5.772 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.709 8.682 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.101 8.027 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.702 7.328 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.315 8.004 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.011 10.262 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.538 9.617 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.341 10.464 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.112 8.733 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.503 10.044 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.412 8.993 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.768 10.653 -4.927 1.00 0.00 H new ATOM 1127 N MET A 71 6.769 5.656 -5.055 1.00 0.00 N ATOM 1128 CA MET A 71 8.220 5.378 -4.856 1.00 0.00 C ATOM 1129 C MET A 71 9.023 6.658 -5.095 1.00 0.00 C ATOM 1130 O MET A 71 8.735 7.425 -5.994 1.00 0.00 O ATOM 1131 CB MET A 71 8.671 4.301 -5.844 1.00 0.00 C ATOM 1132 CG MET A 71 10.021 3.732 -5.399 1.00 0.00 C ATOM 1133 SD MET A 71 9.753 2.218 -4.445 1.00 0.00 S ATOM 1134 CE MET A 71 11.409 2.108 -3.724 1.00 0.00 C ATOM 0 H MET A 71 6.384 5.340 -5.945 1.00 0.00 H new ATOM 0 HA MET A 71 8.387 5.030 -3.837 1.00 0.00 H new ATOM 0 HB2 MET A 71 7.928 3.505 -5.895 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.755 4.723 -6.845 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.643 3.521 -6.269 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.555 4.465 -4.795 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.534 1.136 -3.247 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.156 2.226 -4.509 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.535 2.896 -2.981 1.00 0.00 H new ATOM 1144 N LEU A 72 10.028 6.897 -4.298 1.00 0.00 N ATOM 1145 CA LEU A 72 10.850 8.126 -4.482 1.00 0.00 C ATOM 1146 C LEU A 72 9.938 9.354 -4.480 1.00 0.00 C ATOM 1147 CB LEU A 72 11.595 8.046 -5.817 1.00 0.00 C ATOM 1148 CG LEU A 72 12.402 9.326 -6.029 1.00 0.00 C ATOM 1149 CD1 LEU A 72 13.401 9.498 -4.883 1.00 0.00 C ATOM 1150 CD2 LEU A 72 13.158 9.237 -7.357 1.00 0.00 C ATOM 0 H LEU A 72 10.315 6.294 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 72 11.570 8.207 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.258 7.181 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.886 7.911 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 72 11.727 10.181 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.976 10.411 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.863 9.562 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.077 8.643 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.734 10.150 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.833 8.381 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.446 9.117 -8.174 1.00 0.00 H new TER 1162 LEU A 72