USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot -97:sc= 1 USER MOD Set 1.2: A 34 THR OG1 : rot -66:sc= 1.38 USER MOD Single : A 0 MET CE :methyl -123:sc= -0.331 (180deg=-2.32!) USER MOD Single : A 0 MET N :NH3+ -114:sc= -3.26! (180deg=-4.13!) USER MOD Single : A 1 LYS NZ :NH3+ -128:sc= -1.66 (180deg=-5.46!) USER MOD Single : A 2 SER OG : rot 148:sc= -6.63! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.111) USER MOD Single : A 21 ASN : amide:sc= -2.15! K(o=-2.2!,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.674 K(o=-0.67,f=-0.00044) USER MOD Single : A 24 SER OG : rot -129:sc= -0.742 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.0181 (180deg=0.00368) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= -0.153 (180deg=-2.65!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 17:sc= 0.137 USER MOD Single : A 45 THR OG1 : rot -93:sc= 0.634 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.41) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.085) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= -0.0399 (180deg=-0.601) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.149 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 11.471 3.511 5.056 1.00 0.00 N ATOM 2 CA MET A 0 12.320 4.399 4.217 1.00 0.00 C ATOM 3 C MET A 0 11.836 5.842 4.351 1.00 0.00 C ATOM 4 O MET A 0 12.625 6.763 4.437 1.00 0.00 O ATOM 5 CB MET A 0 12.228 3.967 2.753 1.00 0.00 C ATOM 6 CG MET A 0 13.150 4.844 1.904 1.00 0.00 C ATOM 7 SD MET A 0 14.858 4.648 2.470 1.00 0.00 S ATOM 8 CE MET A 0 15.187 6.394 2.815 1.00 0.00 C ATOM 0 H1 MET A 0 12.043 3.111 5.827 1.00 0.00 H new ATOM 0 H2 MET A 0 10.685 4.061 5.458 1.00 0.00 H new ATOM 0 H3 MET A 0 11.091 2.740 4.471 1.00 0.00 H new ATOM 0 HA MET A 0 13.355 4.328 4.551 1.00 0.00 H new ATOM 0 HB2 MET A 0 12.512 2.919 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 0 11.200 4.054 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 0 13.069 4.565 0.853 1.00 0.00 H new ATOM 0 HG3 MET A 0 12.848 5.889 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 0 16.052 6.722 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.318 6.990 2.536 1.00 0.00 H new ATOM 0 HE3 MET A 0 15.389 6.523 3.878 1.00 0.00 H new ATOM 18 N LYS A 1 10.548 6.057 4.370 1.00 0.00 N ATOM 19 CA LYS A 1 10.047 7.451 4.499 1.00 0.00 C ATOM 20 C LYS A 1 10.229 7.918 5.940 1.00 0.00 C ATOM 21 O LYS A 1 10.191 9.096 6.239 1.00 0.00 O ATOM 22 CB LYS A 1 8.563 7.562 4.127 1.00 0.00 C ATOM 23 CG LYS A 1 8.232 9.040 3.909 1.00 0.00 C ATOM 24 CD LYS A 1 8.519 9.418 2.453 1.00 0.00 C ATOM 25 CE LYS A 1 9.368 10.690 2.414 1.00 0.00 C ATOM 26 NZ LYS A 1 9.229 11.342 1.080 1.00 0.00 N ATOM 0 H LYS A 1 9.830 5.335 4.303 1.00 0.00 H new ATOM 0 HA LYS A 1 10.618 8.075 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.354 6.989 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.941 7.146 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.185 9.228 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.826 9.660 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 1 9.042 8.604 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.584 9.576 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 1 9.051 11.375 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 1 10.413 10.448 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.173 11.524 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.699 10.716 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.719 12.242 1.185 1.00 0.00 H new ATOM 40 N SER A 2 10.421 6.993 6.829 1.00 0.00 N ATOM 41 CA SER A 2 10.604 7.335 8.259 1.00 0.00 C ATOM 42 C SER A 2 11.587 6.321 8.839 1.00 0.00 C ATOM 43 O SER A 2 12.143 5.551 8.091 1.00 0.00 O ATOM 44 CB SER A 2 9.247 7.236 8.957 1.00 0.00 C ATOM 45 OG SER A 2 9.157 5.988 9.630 1.00 0.00 O ATOM 0 H SER A 2 10.460 5.995 6.621 1.00 0.00 H new ATOM 0 HA SER A 2 10.990 8.345 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.129 8.055 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.442 7.328 8.228 1.00 0.00 H new ATOM 0 HG SER A 2 8.611 6.090 10.437 1.00 0.00 H new ATOM 51 N PRO A 3 11.786 6.344 10.134 1.00 0.00 N ATOM 52 CA PRO A 3 12.714 5.401 10.796 1.00 0.00 C ATOM 53 C PRO A 3 12.236 3.937 10.637 1.00 0.00 C ATOM 54 O PRO A 3 11.785 3.335 11.591 1.00 0.00 O ATOM 55 CB PRO A 3 12.681 5.804 12.278 1.00 0.00 C ATOM 56 CG PRO A 3 11.753 7.037 12.415 1.00 0.00 C ATOM 57 CD PRO A 3 11.130 7.309 11.038 1.00 0.00 C ATOM 0 HA PRO A 3 13.713 5.449 10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.313 4.980 12.889 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.685 6.040 12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.976 6.850 13.156 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.318 7.904 12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.050 7.164 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.308 8.336 10.718 1.00 0.00 H new ATOM 65 N GLU A 4 12.332 3.351 9.458 1.00 0.00 N ATOM 66 CA GLU A 4 11.892 1.938 9.283 1.00 0.00 C ATOM 67 C GLU A 4 10.381 1.826 9.481 1.00 0.00 C ATOM 68 O GLU A 4 9.899 0.903 10.108 1.00 0.00 O ATOM 69 CB GLU A 4 12.613 1.049 10.299 1.00 0.00 C ATOM 70 CG GLU A 4 14.126 1.189 10.110 1.00 0.00 C ATOM 71 CD GLU A 4 14.854 0.209 11.031 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.621 -0.982 10.899 1.00 0.00 O ATOM 73 OE2 GLU A 4 15.634 0.665 11.851 1.00 0.00 O ATOM 0 H GLU A 4 12.697 3.797 8.616 1.00 0.00 H new ATOM 0 HA GLU A 4 12.139 1.612 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.334 1.335 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.313 0.009 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.392 0.993 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.437 2.210 10.331 1.00 0.00 H new ATOM 80 N GLU A 5 9.621 2.742 8.942 1.00 0.00 N ATOM 81 CA GLU A 5 8.140 2.651 9.106 1.00 0.00 C ATOM 82 C GLU A 5 7.500 2.389 7.745 1.00 0.00 C ATOM 83 O GLU A 5 6.512 1.690 7.630 1.00 0.00 O ATOM 84 CB GLU A 5 7.606 3.947 9.680 1.00 0.00 C ATOM 85 CG GLU A 5 6.182 3.731 10.193 1.00 0.00 C ATOM 86 CD GLU A 5 6.211 3.499 11.705 1.00 0.00 C ATOM 87 OE1 GLU A 5 6.171 4.477 12.434 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.273 2.350 12.108 1.00 0.00 O ATOM 0 H GLU A 5 9.956 3.540 8.402 1.00 0.00 H new ATOM 0 HA GLU A 5 7.899 1.835 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.248 4.289 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.615 4.725 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.565 4.599 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.730 2.875 9.692 1.00 0.00 H new ATOM 95 N LEU A 6 8.078 2.928 6.715 1.00 0.00 N ATOM 96 CA LEU A 6 7.551 2.707 5.344 1.00 0.00 C ATOM 97 C LEU A 6 8.078 1.372 4.806 1.00 0.00 C ATOM 98 O LEU A 6 7.315 0.473 4.519 1.00 0.00 O ATOM 99 CB LEU A 6 7.907 3.929 4.478 1.00 0.00 C ATOM 100 CG LEU A 6 8.525 3.551 3.129 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.675 2.499 2.406 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.611 4.794 2.248 1.00 0.00 C ATOM 0 H LEU A 6 8.906 3.522 6.765 1.00 0.00 H new ATOM 0 HA LEU A 6 6.464 2.623 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.007 4.519 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.604 4.564 5.025 1.00 0.00 H new ATOM 0 HG LEU A 6 9.517 3.138 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.138 2.250 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.606 1.602 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.675 2.896 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.051 4.529 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.611 5.198 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.233 5.544 2.737 1.00 0.00 H new ATOM 114 N LYS A 7 9.364 1.216 4.679 1.00 0.00 N ATOM 115 CA LYS A 7 9.894 -0.085 4.175 1.00 0.00 C ATOM 116 C LYS A 7 9.249 -1.237 4.961 1.00 0.00 C ATOM 117 O LYS A 7 9.227 -2.367 4.514 1.00 0.00 O ATOM 118 CB LYS A 7 11.415 -0.129 4.359 1.00 0.00 C ATOM 119 CG LYS A 7 12.045 -0.910 3.202 1.00 0.00 C ATOM 120 CD LYS A 7 13.493 -1.267 3.551 1.00 0.00 C ATOM 121 CE LYS A 7 14.332 -1.315 2.271 1.00 0.00 C ATOM 122 NZ LYS A 7 14.828 -2.704 2.053 1.00 0.00 N ATOM 0 H LYS A 7 10.067 1.922 4.899 1.00 0.00 H new ATOM 0 HA LYS A 7 9.656 -0.187 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.818 0.883 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.664 -0.601 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.473 -1.817 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.017 -0.314 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.904 -0.529 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.529 -2.231 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.733 -0.993 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.173 -0.625 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.398 -2.737 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.414 -2.995 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.019 -3.351 1.961 1.00 0.00 H new ATOM 136 N GLY A 8 8.726 -0.961 6.131 1.00 0.00 N ATOM 137 CA GLY A 8 8.089 -2.040 6.946 1.00 0.00 C ATOM 138 C GLY A 8 6.857 -2.591 6.231 1.00 0.00 C ATOM 139 O GLY A 8 6.773 -3.774 5.973 1.00 0.00 O ATOM 0 H GLY A 8 8.713 -0.034 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.805 -2.843 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.805 -1.647 7.922 1.00 0.00 H new ATOM 143 N ILE A 9 5.899 -1.759 5.900 1.00 0.00 N ATOM 144 CA ILE A 9 4.698 -2.278 5.192 1.00 0.00 C ATOM 145 C ILE A 9 5.191 -3.167 4.079 1.00 0.00 C ATOM 146 O ILE A 9 4.667 -4.229 3.816 1.00 0.00 O ATOM 147 CB ILE A 9 3.899 -1.120 4.611 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.005 -1.635 3.485 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.821 0.004 4.122 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.781 -1.684 2.192 1.00 0.00 C ATOM 0 H ILE A 9 5.900 -0.757 6.088 1.00 0.00 H new ATOM 0 HA ILE A 9 4.052 -2.829 5.875 1.00 0.00 H new ATOM 0 HB ILE A 9 3.271 -0.696 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.631 -2.628 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.136 -0.986 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.220 0.816 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.414 0.377 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.485 -0.381 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.136 -2.052 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.133 -0.684 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.635 -2.352 2.305 1.00 0.00 H new ATOM 162 N PHE A 10 6.224 -2.714 3.457 1.00 0.00 N ATOM 163 CA PHE A 10 6.860 -3.488 2.369 1.00 0.00 C ATOM 164 C PHE A 10 7.734 -4.644 2.896 1.00 0.00 C ATOM 165 O PHE A 10 8.908 -4.740 2.604 1.00 0.00 O ATOM 166 CB PHE A 10 7.688 -2.580 1.468 1.00 0.00 C ATOM 167 CG PHE A 10 7.143 -2.640 0.079 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.815 -2.345 -0.220 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.003 -3.082 -0.917 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.354 -2.494 -1.532 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.558 -3.215 -2.212 1.00 0.00 C ATOM 172 CZ PHE A 10 6.235 -2.929 -2.528 1.00 0.00 C ATOM 0 H PHE A 10 6.668 -1.818 3.659 1.00 0.00 H new ATOM 0 HA PHE A 10 6.049 -3.929 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.660 -1.555 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.732 -2.893 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.146 -2.004 0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.027 -3.323 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.325 -2.275 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.238 -3.542 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.887 -3.043 -3.544 1.00 0.00 H new ATOM 182 N GLU A 11 7.141 -5.526 3.644 1.00 0.00 N ATOM 183 CA GLU A 11 7.845 -6.709 4.197 1.00 0.00 C ATOM 184 C GLU A 11 6.866 -7.377 5.168 1.00 0.00 C ATOM 185 O GLU A 11 6.897 -8.565 5.407 1.00 0.00 O ATOM 186 CB GLU A 11 9.122 -6.284 4.932 1.00 0.00 C ATOM 187 CG GLU A 11 8.769 -5.414 6.139 1.00 0.00 C ATOM 188 CD GLU A 11 9.802 -5.635 7.245 1.00 0.00 C ATOM 189 OE1 GLU A 11 9.733 -6.664 7.898 1.00 0.00 O ATOM 190 OE2 GLU A 11 10.645 -4.770 7.422 1.00 0.00 O ATOM 0 H GLU A 11 6.156 -5.471 3.904 1.00 0.00 H new ATOM 0 HA GLU A 11 8.146 -7.393 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.674 -7.166 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.774 -5.733 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.749 -4.363 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.772 -5.664 6.502 1.00 0.00 H new ATOM 197 N LYS A 12 5.981 -6.582 5.702 1.00 0.00 N ATOM 198 CA LYS A 12 4.933 -7.078 6.640 1.00 0.00 C ATOM 199 C LYS A 12 3.698 -7.516 5.847 1.00 0.00 C ATOM 200 O LYS A 12 3.449 -8.690 5.653 1.00 0.00 O ATOM 201 CB LYS A 12 4.539 -5.969 7.609 1.00 0.00 C ATOM 202 CG LYS A 12 3.436 -6.486 8.528 1.00 0.00 C ATOM 203 CD LYS A 12 3.284 -5.548 9.727 1.00 0.00 C ATOM 204 CE LYS A 12 4.291 -5.934 10.811 1.00 0.00 C ATOM 205 NZ LYS A 12 4.137 -5.019 11.977 1.00 0.00 N ATOM 0 H LYS A 12 5.939 -5.579 5.522 1.00 0.00 H new ATOM 0 HA LYS A 12 5.329 -7.925 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.403 -5.656 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.193 -5.094 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.495 -6.550 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.676 -7.493 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.446 -4.516 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.270 -5.607 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.130 -6.967 11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.306 -5.873 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.821 -5.280 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.311 -4.039 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.172 -5.099 12.356 1.00 0.00 H new ATOM 219 N TYR A 13 2.917 -6.560 5.384 1.00 0.00 N ATOM 220 CA TYR A 13 1.696 -6.906 4.602 1.00 0.00 C ATOM 221 C TYR A 13 2.123 -7.286 3.191 1.00 0.00 C ATOM 222 O TYR A 13 1.713 -8.297 2.659 1.00 0.00 O ATOM 223 CB TYR A 13 0.731 -5.716 4.507 1.00 0.00 C ATOM 224 CG TYR A 13 0.981 -4.698 5.590 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.077 -5.100 6.917 1.00 0.00 C ATOM 226 CD2 TYR A 13 1.086 -3.343 5.257 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.284 -4.149 7.926 1.00 0.00 C ATOM 228 CE2 TYR A 13 1.290 -2.388 6.260 1.00 0.00 C ATOM 229 CZ TYR A 13 1.390 -2.792 7.596 1.00 0.00 C ATOM 230 OH TYR A 13 1.592 -1.856 8.589 1.00 0.00 O ATOM 0 H TYR A 13 3.078 -5.562 5.517 1.00 0.00 H new ATOM 0 HA TYR A 13 1.186 -7.727 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.836 -5.241 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.296 -6.075 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.992 -6.146 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.010 -3.034 4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.362 -4.462 8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.370 -1.342 6.003 1.00 0.00 H new ATOM 0 HH TYR A 13 0.733 -1.460 8.845 1.00 0.00 H new ATOM 240 N ALA A 14 2.959 -6.495 2.577 1.00 0.00 N ATOM 241 CA ALA A 14 3.417 -6.858 1.214 1.00 0.00 C ATOM 242 C ALA A 14 3.882 -8.314 1.278 1.00 0.00 C ATOM 243 O ALA A 14 3.811 -9.037 0.311 1.00 0.00 O ATOM 244 CB ALA A 14 4.593 -5.951 0.772 1.00 0.00 C ATOM 0 H ALA A 14 3.338 -5.627 2.956 1.00 0.00 H new ATOM 0 HA ALA A 14 2.611 -6.728 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.914 -6.234 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.269 -4.910 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.425 -6.070 1.466 1.00 0.00 H new ATOM 250 N ASP A 15 4.356 -8.738 2.435 1.00 0.00 N ATOM 251 CA ASP A 15 4.854 -10.141 2.608 1.00 0.00 C ATOM 252 C ASP A 15 3.701 -11.104 2.943 1.00 0.00 C ATOM 253 O ASP A 15 3.768 -12.280 2.645 1.00 0.00 O ATOM 254 CB ASP A 15 5.871 -10.199 3.760 1.00 0.00 C ATOM 255 CG ASP A 15 6.406 -11.625 3.888 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.373 -12.340 2.901 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.839 -11.979 4.972 1.00 0.00 O ATOM 0 H ASP A 15 4.417 -8.161 3.274 1.00 0.00 H new ATOM 0 HA ASP A 15 5.318 -10.442 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.691 -9.506 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.400 -9.890 4.693 1.00 0.00 H new ATOM 262 N LYS A 16 2.657 -10.630 3.576 1.00 0.00 N ATOM 263 CA LYS A 16 1.533 -11.528 3.940 1.00 0.00 C ATOM 264 C LYS A 16 1.101 -12.313 2.706 1.00 0.00 C ATOM 265 O LYS A 16 0.817 -13.492 2.771 1.00 0.00 O ATOM 266 CB LYS A 16 0.383 -10.660 4.466 1.00 0.00 C ATOM 267 CG LYS A 16 -0.967 -11.317 4.186 1.00 0.00 C ATOM 268 CD LYS A 16 -1.491 -10.796 2.852 1.00 0.00 C ATOM 269 CE LYS A 16 -3.013 -10.942 2.804 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.376 -12.384 2.896 1.00 0.00 N ATOM 0 H LYS A 16 2.540 -9.656 3.855 1.00 0.00 H new ATOM 0 HA LYS A 16 1.832 -12.239 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.501 -10.504 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.419 -9.678 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.861 -12.401 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.672 -11.089 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.212 -9.750 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.037 -11.350 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.468 -10.388 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.401 -10.516 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.373 -12.509 2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.773 -12.935 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.235 -12.716 3.871 1.00 0.00 H new ATOM 284 N GLU A 17 1.054 -11.666 1.585 1.00 0.00 N ATOM 285 CA GLU A 17 0.643 -12.378 0.340 1.00 0.00 C ATOM 286 C GLU A 17 1.843 -13.144 -0.212 1.00 0.00 C ATOM 287 O GLU A 17 2.087 -14.278 0.149 1.00 0.00 O ATOM 288 CB GLU A 17 0.146 -11.375 -0.692 1.00 0.00 C ATOM 289 CG GLU A 17 -1.376 -11.474 -0.802 1.00 0.00 C ATOM 290 CD GLU A 17 -1.797 -11.314 -2.264 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.927 -11.091 -3.089 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.983 -11.416 -2.533 1.00 0.00 O ATOM 0 H GLU A 17 1.280 -10.678 1.470 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.164 -13.075 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.436 -10.365 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.606 -11.574 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.717 -12.436 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.846 -10.703 -0.191 1.00 0.00 H new ATOM 299 N GLY A 18 2.607 -12.530 -1.070 1.00 0.00 N ATOM 300 CA GLY A 18 3.805 -13.217 -1.624 1.00 0.00 C ATOM 301 C GLY A 18 5.048 -12.572 -1.014 1.00 0.00 C ATOM 302 O GLY A 18 5.116 -12.357 0.180 1.00 0.00 O ATOM 0 H GLY A 18 2.453 -11.581 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.775 -14.281 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.825 -13.130 -2.710 1.00 0.00 H new ATOM 306 N ASP A 19 6.025 -12.238 -1.810 1.00 0.00 N ATOM 307 CA ASP A 19 7.234 -11.584 -1.231 1.00 0.00 C ATOM 308 C ASP A 19 6.750 -10.424 -0.376 1.00 0.00 C ATOM 309 O ASP A 19 5.581 -10.135 -0.338 1.00 0.00 O ATOM 310 CB ASP A 19 8.128 -11.008 -2.335 1.00 0.00 C ATOM 311 CG ASP A 19 9.594 -11.318 -2.020 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.888 -11.585 -0.866 1.00 0.00 O ATOM 313 OD2 ASP A 19 10.395 -11.287 -2.938 1.00 0.00 O ATOM 0 H ASP A 19 6.042 -12.386 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 19 7.805 -12.316 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.854 -11.436 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.981 -9.931 -2.411 1.00 0.00 H new ATOM 318 N GLY A 20 7.636 -9.722 0.252 1.00 0.00 N ATOM 319 CA GLY A 20 7.222 -8.535 1.050 1.00 0.00 C ATOM 320 C GLY A 20 7.695 -7.315 0.281 1.00 0.00 C ATOM 321 O GLY A 20 7.801 -6.224 0.807 1.00 0.00 O ATOM 0 H GLY A 20 8.638 -9.915 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.140 -8.515 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.665 -8.562 2.045 1.00 0.00 H new ATOM 325 N ASN A 21 7.979 -7.507 -0.983 1.00 0.00 N ATOM 326 CA ASN A 21 8.444 -6.392 -1.823 1.00 0.00 C ATOM 327 C ASN A 21 7.322 -6.019 -2.801 1.00 0.00 C ATOM 328 O ASN A 21 7.492 -5.227 -3.702 1.00 0.00 O ATOM 329 CB ASN A 21 9.701 -6.827 -2.582 1.00 0.00 C ATOM 330 CG ASN A 21 10.933 -6.631 -1.698 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.994 -6.289 -2.182 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.841 -6.837 -0.414 1.00 0.00 N ATOM 0 H ASN A 21 7.903 -8.404 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 21 8.690 -5.524 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.616 -7.873 -2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.803 -6.246 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.659 -6.711 0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.951 -7.124 -0.006 1.00 0.00 H new ATOM 339 N GLN A 22 6.165 -6.593 -2.620 1.00 0.00 N ATOM 340 CA GLN A 22 5.007 -6.254 -3.509 1.00 0.00 C ATOM 341 C GLN A 22 3.734 -6.226 -2.656 1.00 0.00 C ATOM 342 O GLN A 22 3.642 -6.877 -1.635 1.00 0.00 O ATOM 343 CB GLN A 22 4.839 -7.249 -4.665 1.00 0.00 C ATOM 344 CG GLN A 22 6.167 -7.935 -5.015 1.00 0.00 C ATOM 345 CD GLN A 22 5.955 -9.447 -5.045 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.052 -10.065 -6.087 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.668 -10.070 -3.938 1.00 0.00 N ATOM 0 H GLN A 22 5.967 -7.283 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 22 5.197 -5.280 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.100 -8.002 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.455 -6.728 -5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.527 -7.586 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.929 -7.677 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.587 -9.548 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.524 -11.080 -3.944 1.00 0.00 H new ATOM 356 N LEU A 23 2.769 -5.439 -3.048 1.00 0.00 N ATOM 357 CA LEU A 23 1.521 -5.312 -2.248 1.00 0.00 C ATOM 358 C LEU A 23 0.289 -5.720 -3.066 1.00 0.00 C ATOM 359 O LEU A 23 0.383 -6.200 -4.175 1.00 0.00 O ATOM 360 CB LEU A 23 1.383 -3.843 -1.835 1.00 0.00 C ATOM 361 CG LEU A 23 1.962 -3.660 -0.442 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.215 -2.175 -0.185 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.976 -4.197 0.595 1.00 0.00 C ATOM 0 H LEU A 23 2.794 -4.874 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 23 1.580 -5.969 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.905 -3.202 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.334 -3.546 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 23 2.902 -4.206 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.630 -2.044 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.920 -1.793 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.276 -1.627 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.391 -4.066 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.035 -3.652 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.797 -5.257 0.413 1.00 0.00 H new ATOM 375 N SER A 24 -0.868 -5.522 -2.500 1.00 0.00 N ATOM 376 CA SER A 24 -2.125 -5.849 -3.163 1.00 0.00 C ATOM 377 C SER A 24 -3.200 -5.023 -2.447 1.00 0.00 C ATOM 378 O SER A 24 -2.890 -4.197 -1.612 1.00 0.00 O ATOM 379 CB SER A 24 -2.383 -7.341 -3.008 1.00 0.00 C ATOM 380 OG SER A 24 -1.163 -7.994 -2.685 1.00 0.00 O ATOM 0 H SER A 24 -0.980 -5.130 -1.565 1.00 0.00 H new ATOM 0 HA SER A 24 -2.116 -5.623 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.121 -7.515 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.795 -7.749 -3.931 1.00 0.00 H new ATOM 0 HG SER A 24 -1.027 -8.751 -3.292 1.00 0.00 H new ATOM 386 N LYS A 25 -4.441 -5.213 -2.753 1.00 0.00 N ATOM 387 CA LYS A 25 -5.499 -4.412 -2.073 1.00 0.00 C ATOM 388 C LYS A 25 -5.749 -4.946 -0.659 1.00 0.00 C ATOM 389 O LYS A 25 -6.201 -4.229 0.212 1.00 0.00 O ATOM 390 CB LYS A 25 -6.793 -4.502 -2.873 1.00 0.00 C ATOM 391 CG LYS A 25 -7.577 -3.197 -2.725 1.00 0.00 C ATOM 392 CD LYS A 25 -8.525 -3.029 -3.914 1.00 0.00 C ATOM 393 CE LYS A 25 -9.532 -4.180 -3.934 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.907 -3.643 -3.725 1.00 0.00 N ATOM 0 H LYS A 25 -4.777 -5.885 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.167 -3.376 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.571 -4.688 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.393 -5.341 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.144 -3.205 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.890 -2.352 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.049 -2.076 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.958 -3.012 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.477 -4.708 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.290 -4.902 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.606 -4.373 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.026 -3.372 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.050 -2.809 -4.330 1.00 0.00 H new ATOM 408 N GLU A 26 -5.477 -6.198 -0.424 1.00 0.00 N ATOM 409 CA GLU A 26 -5.717 -6.770 0.930 1.00 0.00 C ATOM 410 C GLU A 26 -4.557 -6.429 1.868 1.00 0.00 C ATOM 411 O GLU A 26 -4.486 -6.920 2.977 1.00 0.00 O ATOM 412 CB GLU A 26 -5.853 -8.289 0.823 1.00 0.00 C ATOM 413 CG GLU A 26 -4.745 -8.833 -0.081 1.00 0.00 C ATOM 414 CD GLU A 26 -5.356 -9.385 -1.372 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.725 -8.586 -2.216 1.00 0.00 O ATOM 416 OE2 GLU A 26 -5.440 -10.595 -1.493 1.00 0.00 O ATOM 0 H GLU A 26 -5.099 -6.851 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.634 -6.343 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.787 -8.742 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.830 -8.551 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.032 -8.042 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.193 -9.618 0.436 1.00 0.00 H new ATOM 423 N GLU A 27 -3.638 -5.604 1.441 1.00 0.00 N ATOM 424 CA GLU A 27 -2.492 -5.270 2.339 1.00 0.00 C ATOM 425 C GLU A 27 -2.144 -3.781 2.260 1.00 0.00 C ATOM 426 O GLU A 27 -1.139 -3.347 2.786 1.00 0.00 O ATOM 427 CB GLU A 27 -1.259 -6.109 1.965 1.00 0.00 C ATOM 428 CG GLU A 27 -1.253 -6.449 0.468 1.00 0.00 C ATOM 429 CD GLU A 27 -1.117 -7.962 0.296 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.007 -8.434 0.258 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.136 -8.624 0.206 1.00 0.00 O ATOM 0 H GLU A 27 -3.629 -5.153 0.526 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.791 -5.502 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.352 -5.561 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.251 -7.029 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.173 -6.099 -0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.428 -5.939 -0.030 1.00 0.00 H new ATOM 438 N LEU A 28 -2.974 -2.986 1.651 1.00 0.00 N ATOM 439 CA LEU A 28 -2.698 -1.539 1.592 1.00 0.00 C ATOM 440 C LEU A 28 -3.513 -0.914 2.722 1.00 0.00 C ATOM 441 O LEU A 28 -3.049 -0.083 3.472 1.00 0.00 O ATOM 442 CB LEU A 28 -3.124 -1.030 0.212 1.00 0.00 C ATOM 443 CG LEU A 28 -3.827 0.321 0.321 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.867 1.356 0.910 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.281 0.776 -1.068 1.00 0.00 C ATOM 0 H LEU A 28 -3.834 -3.284 1.191 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.645 -1.286 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.249 -0.938 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.790 -1.754 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.695 0.223 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.372 2.319 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.548 1.034 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.996 1.454 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.783 1.740 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.414 0.871 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.970 0.041 -1.484 1.00 0.00 H new ATOM 457 N LYS A 29 -4.718 -1.371 2.864 1.00 0.00 N ATOM 458 CA LYS A 29 -5.598 -0.926 3.928 1.00 0.00 C ATOM 459 C LYS A 29 -4.940 -1.205 5.280 1.00 0.00 C ATOM 460 O LYS A 29 -4.878 -0.353 6.142 1.00 0.00 O ATOM 461 CB LYS A 29 -6.838 -1.760 3.793 1.00 0.00 C ATOM 462 CG LYS A 29 -7.820 -1.256 4.803 1.00 0.00 C ATOM 463 CD LYS A 29 -9.227 -1.609 4.355 1.00 0.00 C ATOM 464 CE LYS A 29 -10.227 -1.316 5.498 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.615 -1.353 4.961 1.00 0.00 N ATOM 0 H LYS A 29 -5.133 -2.069 2.246 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.813 0.141 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.247 -1.682 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.615 -2.813 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.615 -1.698 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.722 -0.176 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.493 -1.032 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.277 -2.662 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.113 -2.052 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.020 -0.339 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.080 -0.440 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.586 -1.534 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.149 -2.111 5.431 1.00 0.00 H new ATOM 479 N LEU A 30 -4.444 -2.400 5.472 1.00 0.00 N ATOM 480 CA LEU A 30 -3.789 -2.731 6.768 1.00 0.00 C ATOM 481 C LEU A 30 -2.690 -1.705 7.052 1.00 0.00 C ATOM 482 O LEU A 30 -2.342 -1.449 8.187 1.00 0.00 O ATOM 483 CB LEU A 30 -3.177 -4.132 6.694 1.00 0.00 C ATOM 484 CG LEU A 30 -4.278 -5.179 6.867 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.263 -5.087 5.699 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.647 -6.571 6.895 1.00 0.00 C ATOM 0 H LEU A 30 -4.465 -3.157 4.789 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.529 -2.706 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.675 -4.271 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.421 -4.252 7.470 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.811 -4.998 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.047 -5.834 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.709 -4.093 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.735 -5.268 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.427 -7.322 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.117 -6.749 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.946 -6.636 7.727 1.00 0.00 H new ATOM 498 N LEU A 31 -2.143 -1.113 6.026 1.00 0.00 N ATOM 499 CA LEU A 31 -1.072 -0.103 6.239 1.00 0.00 C ATOM 500 C LEU A 31 -1.598 1.013 7.134 1.00 0.00 C ATOM 501 O LEU A 31 -1.321 1.054 8.314 1.00 0.00 O ATOM 502 CB LEU A 31 -0.648 0.497 4.900 1.00 0.00 C ATOM 503 CG LEU A 31 0.350 1.633 5.139 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.739 1.052 5.399 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.402 2.527 3.901 1.00 0.00 C ATOM 0 H LEU A 31 -2.392 -1.285 5.052 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.216 -0.588 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.196 -0.271 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.521 0.873 4.366 1.00 0.00 H new ATOM 0 HG LEU A 31 0.034 2.216 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.447 1.863 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.706 0.409 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.057 0.468 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.112 3.337 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.719 1.938 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.587 2.944 3.712 1.00 0.00 H new ATOM 517 N LEU A 32 -2.341 1.935 6.581 1.00 0.00 N ATOM 518 CA LEU A 32 -2.850 3.049 7.417 1.00 0.00 C ATOM 519 C LEU A 32 -3.457 2.487 8.705 1.00 0.00 C ATOM 520 O LEU A 32 -3.229 2.994 9.773 1.00 0.00 O ATOM 521 CB LEU A 32 -3.901 3.911 6.689 1.00 0.00 C ATOM 522 CG LEU A 32 -4.110 3.497 5.234 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.810 3.633 4.443 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.652 2.075 5.181 1.00 0.00 C ATOM 0 H LEU A 32 -2.612 1.962 5.598 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.001 3.695 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.850 3.842 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.592 4.956 6.723 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.841 4.160 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.980 3.333 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.475 4.670 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.046 2.993 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.801 1.781 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.941 1.397 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.603 2.028 5.711 1.00 0.00 H new ATOM 536 N GLN A 33 -4.225 1.444 8.632 1.00 0.00 N ATOM 537 CA GLN A 33 -4.826 0.898 9.887 1.00 0.00 C ATOM 538 C GLN A 33 -3.764 0.816 10.986 1.00 0.00 C ATOM 539 O GLN A 33 -3.997 1.212 12.109 1.00 0.00 O ATOM 540 CB GLN A 33 -5.413 -0.491 9.625 1.00 0.00 C ATOM 541 CG GLN A 33 -6.534 -0.386 8.589 1.00 0.00 C ATOM 542 CD GLN A 33 -7.788 -1.086 9.119 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.434 -0.594 10.022 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.162 -2.220 8.592 1.00 0.00 N ATOM 0 H GLN A 33 -4.465 0.947 7.774 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.623 1.565 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.634 -1.164 9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.799 -0.915 10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.751 0.661 8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.220 -0.842 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.620 -2.633 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.997 -2.693 8.939 1.00 0.00 H new ATOM 553 N THR A 34 -2.600 0.317 10.679 1.00 0.00 N ATOM 554 CA THR A 34 -1.539 0.230 11.717 1.00 0.00 C ATOM 555 C THR A 34 -0.989 1.629 11.990 1.00 0.00 C ATOM 556 O THR A 34 -0.943 2.083 13.117 1.00 0.00 O ATOM 557 CB THR A 34 -0.415 -0.665 11.206 1.00 0.00 C ATOM 558 OG1 THR A 34 0.069 -0.159 9.971 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.946 -2.082 11.006 1.00 0.00 C ATOM 0 H THR A 34 -2.339 -0.033 9.757 1.00 0.00 H new ATOM 0 HA THR A 34 -1.951 -0.187 12.636 1.00 0.00 H new ATOM 0 HB THR A 34 0.397 -0.681 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.630 -0.238 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.144 -2.723 10.641 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.316 -2.469 11.955 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.758 -2.067 10.279 1.00 0.00 H new ATOM 567 N GLU A 35 -0.569 2.311 10.963 1.00 0.00 N ATOM 568 CA GLU A 35 -0.017 3.680 11.148 1.00 0.00 C ATOM 569 C GLU A 35 -1.170 4.681 11.336 1.00 0.00 C ATOM 570 O GLU A 35 -1.332 5.252 12.396 1.00 0.00 O ATOM 571 CB GLU A 35 0.816 4.051 9.916 1.00 0.00 C ATOM 572 CG GLU A 35 2.216 3.450 10.057 1.00 0.00 C ATOM 573 CD GLU A 35 3.072 4.365 10.934 1.00 0.00 C ATOM 574 OE1 GLU A 35 3.658 5.289 10.394 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.124 4.130 12.129 1.00 0.00 O ATOM 0 H GLU A 35 -0.584 1.978 9.999 1.00 0.00 H new ATOM 0 HA GLU A 35 0.617 3.710 12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.336 3.677 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.880 5.135 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.155 2.456 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.675 3.334 9.075 1.00 0.00 H new ATOM 582 N PHE A 36 -1.977 4.891 10.326 1.00 0.00 N ATOM 583 CA PHE A 36 -3.118 5.842 10.458 1.00 0.00 C ATOM 584 C PHE A 36 -4.247 5.339 9.550 1.00 0.00 C ATOM 585 O PHE A 36 -4.319 5.740 8.418 1.00 0.00 O ATOM 586 CB PHE A 36 -2.704 7.230 9.951 1.00 0.00 C ATOM 587 CG PHE A 36 -1.204 7.310 9.781 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.381 7.727 10.831 1.00 0.00 C ATOM 589 CD2 PHE A 36 -0.642 6.964 8.546 1.00 0.00 C ATOM 590 CE1 PHE A 36 1.008 7.796 10.644 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.741 7.033 8.358 1.00 0.00 C ATOM 592 CZ PHE A 36 1.566 7.448 9.404 1.00 0.00 C ATOM 0 H PHE A 36 -1.893 4.442 9.414 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.426 5.905 11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.195 7.437 9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.037 7.994 10.654 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.813 7.995 11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.280 6.643 7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.647 8.117 11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.171 6.765 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.635 7.501 9.259 1.00 0.00 H new ATOM 602 N PRO A 37 -5.078 4.464 10.055 1.00 0.00 N ATOM 603 CA PRO A 37 -6.188 3.880 9.277 1.00 0.00 C ATOM 604 C PRO A 37 -6.927 4.913 8.418 1.00 0.00 C ATOM 605 O PRO A 37 -7.292 4.635 7.293 1.00 0.00 O ATOM 606 CB PRO A 37 -7.120 3.283 10.340 1.00 0.00 C ATOM 607 CG PRO A 37 -6.346 3.284 11.684 1.00 0.00 C ATOM 608 CD PRO A 37 -5.002 3.989 11.443 1.00 0.00 C ATOM 0 HA PRO A 37 -5.823 3.143 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.035 3.870 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.415 2.270 10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.917 3.801 12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.187 2.265 12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.858 4.816 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.165 3.305 11.583 1.00 0.00 H new ATOM 616 N SER A 38 -7.188 6.082 8.929 1.00 0.00 N ATOM 617 CA SER A 38 -7.943 7.081 8.114 1.00 0.00 C ATOM 618 C SER A 38 -7.027 7.825 7.132 1.00 0.00 C ATOM 619 O SER A 38 -7.353 8.902 6.675 1.00 0.00 O ATOM 620 CB SER A 38 -8.623 8.088 9.041 1.00 0.00 C ATOM 621 OG SER A 38 -7.643 8.701 9.869 1.00 0.00 O ATOM 0 H SER A 38 -6.917 6.390 9.863 1.00 0.00 H new ATOM 0 HA SER A 38 -8.690 6.541 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.145 8.844 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.372 7.587 9.654 1.00 0.00 H new ATOM 0 HG SER A 38 -8.076 9.349 10.464 1.00 0.00 H new ATOM 627 N LEU A 39 -5.908 7.264 6.781 1.00 0.00 N ATOM 628 CA LEU A 39 -5.015 7.954 5.806 1.00 0.00 C ATOM 629 C LEU A 39 -5.513 7.669 4.393 1.00 0.00 C ATOM 630 O LEU A 39 -5.102 8.292 3.435 1.00 0.00 O ATOM 631 CB LEU A 39 -3.578 7.451 5.958 1.00 0.00 C ATOM 632 CG LEU A 39 -2.643 8.638 6.196 1.00 0.00 C ATOM 633 CD1 LEU A 39 -2.560 9.489 4.928 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.186 9.488 7.346 1.00 0.00 C ATOM 0 H LEU A 39 -5.571 6.364 7.122 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.030 9.027 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.513 6.751 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.274 6.910 5.062 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.648 8.271 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.893 10.334 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.174 8.883 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.553 9.857 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.522 10.335 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.181 9.853 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.243 8.882 8.250 1.00 0.00 H new ATOM 646 N LEU A 40 -6.402 6.727 4.263 1.00 0.00 N ATOM 647 CA LEU A 40 -6.944 6.383 2.918 1.00 0.00 C ATOM 648 C LEU A 40 -8.221 7.180 2.656 1.00 0.00 C ATOM 649 O LEU A 40 -9.300 6.631 2.547 1.00 0.00 O ATOM 650 CB LEU A 40 -7.231 4.886 2.817 1.00 0.00 C ATOM 651 CG LEU A 40 -7.806 4.331 4.124 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.873 5.273 4.696 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.449 2.989 3.819 1.00 0.00 C ATOM 0 H LEU A 40 -6.780 6.176 5.034 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.198 6.640 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.934 4.704 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.312 4.355 2.569 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.006 4.231 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.266 4.857 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.428 6.248 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.684 5.384 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.868 2.570 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.244 3.125 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.698 2.308 3.419 1.00 0.00 H new ATOM 665 N LYS A 41 -8.106 8.477 2.556 1.00 0.00 N ATOM 666 CA LYS A 41 -9.302 9.319 2.305 1.00 0.00 C ATOM 667 C LYS A 41 -9.395 9.630 0.805 1.00 0.00 C ATOM 668 O LYS A 41 -9.309 8.745 -0.021 1.00 0.00 O ATOM 669 CB LYS A 41 -9.173 10.616 3.109 1.00 0.00 C ATOM 670 CG LYS A 41 -8.782 10.287 4.552 1.00 0.00 C ATOM 671 CD LYS A 41 -9.900 9.484 5.215 1.00 0.00 C ATOM 672 CE LYS A 41 -10.150 10.026 6.625 1.00 0.00 C ATOM 673 NZ LYS A 41 -11.180 11.101 6.569 1.00 0.00 N ATOM 0 H LYS A 41 -7.228 8.989 2.639 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.206 8.794 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.422 11.263 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.116 11.162 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.853 9.717 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.601 11.206 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.812 9.551 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.627 8.430 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.483 9.222 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.223 10.417 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.350 11.469 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.845 11.871 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.065 10.714 6.185 1.00 0.00 H new ATOM 687 N GLY A 42 -9.570 10.870 0.440 1.00 0.00 N ATOM 688 CA GLY A 42 -9.670 11.209 -1.009 1.00 0.00 C ATOM 689 C GLY A 42 -11.017 10.722 -1.551 1.00 0.00 C ATOM 690 O GLY A 42 -11.274 10.763 -2.739 1.00 0.00 O ATOM 0 H GLY A 42 -9.648 11.661 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.576 12.286 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.853 10.743 -1.560 1.00 0.00 H new ATOM 694 N MET A 43 -11.879 10.258 -0.686 1.00 0.00 N ATOM 695 CA MET A 43 -13.213 9.762 -1.134 1.00 0.00 C ATOM 696 C MET A 43 -13.068 8.572 -2.094 1.00 0.00 C ATOM 697 O MET A 43 -12.007 8.329 -2.630 1.00 0.00 O ATOM 698 CB MET A 43 -13.978 10.890 -1.825 1.00 0.00 C ATOM 699 CG MET A 43 -15.076 11.374 -0.888 1.00 0.00 C ATOM 700 SD MET A 43 -14.612 12.971 -0.173 1.00 0.00 S ATOM 701 CE MET A 43 -16.010 13.924 -0.813 1.00 0.00 C ATOM 0 H MET A 43 -11.715 10.201 0.319 1.00 0.00 H new ATOM 0 HA MET A 43 -13.765 9.428 -0.255 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.303 11.709 -2.073 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.408 10.537 -2.762 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.016 11.468 -1.432 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.238 10.644 -0.095 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.924 14.960 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.008 13.886 -1.902 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.941 13.501 -0.437 1.00 0.00 H new ATOM 711 N SER A 44 -14.134 7.824 -2.320 1.00 0.00 N ATOM 712 CA SER A 44 -14.051 6.663 -3.237 1.00 0.00 C ATOM 713 C SER A 44 -12.743 5.908 -2.995 1.00 0.00 C ATOM 714 O SER A 44 -12.203 5.281 -3.885 1.00 0.00 O ATOM 715 CB SER A 44 -14.101 7.147 -4.687 1.00 0.00 C ATOM 716 OG SER A 44 -13.003 8.017 -4.930 1.00 0.00 O ATOM 0 H SER A 44 -15.051 7.980 -1.902 1.00 0.00 H new ATOM 0 HA SER A 44 -14.893 5.997 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.064 6.297 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.040 7.666 -4.877 1.00 0.00 H new ATOM 0 HG SER A 44 -12.329 7.898 -4.228 1.00 0.00 H new ATOM 722 N THR A 45 -12.216 5.979 -1.804 1.00 0.00 N ATOM 723 CA THR A 45 -10.938 5.293 -1.509 1.00 0.00 C ATOM 724 C THR A 45 -11.144 3.783 -1.373 1.00 0.00 C ATOM 725 O THR A 45 -12.198 3.265 -1.681 1.00 0.00 O ATOM 726 CB THR A 45 -10.371 5.863 -0.220 1.00 0.00 C ATOM 727 OG1 THR A 45 -10.951 7.138 0.022 1.00 0.00 O ATOM 728 CG2 THR A 45 -8.869 6.000 -0.392 1.00 0.00 C ATOM 0 H THR A 45 -12.623 6.488 -1.020 1.00 0.00 H new ATOM 0 HA THR A 45 -10.242 5.458 -2.331 1.00 0.00 H new ATOM 0 HB THR A 45 -10.593 5.210 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.377 7.836 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.434 6.408 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.435 5.021 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.658 6.670 -1.226 1.00 0.00 H new ATOM 736 N LEU A 46 -10.126 3.068 -0.949 1.00 0.00 N ATOM 737 CA LEU A 46 -10.253 1.592 -0.832 1.00 0.00 C ATOM 738 C LEU A 46 -10.151 1.002 -2.236 1.00 0.00 C ATOM 739 O LEU A 46 -10.317 -0.183 -2.446 1.00 0.00 O ATOM 740 CB LEU A 46 -11.611 1.242 -0.226 1.00 0.00 C ATOM 741 CG LEU A 46 -11.415 0.344 0.995 1.00 0.00 C ATOM 742 CD1 LEU A 46 -11.778 1.122 2.262 1.00 0.00 C ATOM 743 CD2 LEU A 46 -12.320 -0.884 0.876 1.00 0.00 C ATOM 0 H LEU A 46 -9.218 3.449 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.468 1.190 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.137 2.152 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.231 0.736 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.374 0.025 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.639 0.483 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.135 1.998 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.819 1.440 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.180 -1.525 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.361 -0.565 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.064 -1.438 -0.027 1.00 0.00 H new ATOM 755 N ASP A 47 -9.904 1.842 -3.201 1.00 0.00 N ATOM 756 CA ASP A 47 -9.813 1.379 -4.600 1.00 0.00 C ATOM 757 C ASP A 47 -9.089 2.392 -5.501 1.00 0.00 C ATOM 758 O ASP A 47 -8.301 2.014 -6.344 1.00 0.00 O ATOM 759 CB ASP A 47 -11.210 1.211 -5.125 1.00 0.00 C ATOM 760 CG ASP A 47 -11.583 -0.272 -5.173 1.00 0.00 C ATOM 761 OD1 ASP A 47 -10.859 -1.024 -5.804 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.584 -0.630 -4.576 1.00 0.00 O ATOM 0 H ASP A 47 -9.760 2.843 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.249 0.446 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.912 1.749 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.286 1.645 -6.122 1.00 0.00 H new ATOM 767 N GLU A 48 -9.353 3.671 -5.359 1.00 0.00 N ATOM 768 CA GLU A 48 -8.673 4.657 -6.244 1.00 0.00 C ATOM 769 C GLU A 48 -7.229 4.814 -5.805 1.00 0.00 C ATOM 770 O GLU A 48 -6.445 5.505 -6.425 1.00 0.00 O ATOM 771 CB GLU A 48 -9.378 6.006 -6.172 1.00 0.00 C ATOM 772 CG GLU A 48 -10.043 6.274 -7.518 1.00 0.00 C ATOM 773 CD GLU A 48 -10.841 7.579 -7.454 1.00 0.00 C ATOM 774 OE1 GLU A 48 -10.227 8.617 -7.274 1.00 0.00 O ATOM 775 OE2 GLU A 48 -12.052 7.517 -7.587 1.00 0.00 O ATOM 0 H GLU A 48 -10.001 4.065 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.709 4.296 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.122 6.003 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.664 6.795 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.287 6.338 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.703 5.446 -7.779 1.00 0.00 H new ATOM 782 N LEU A 49 -6.869 4.150 -4.756 1.00 0.00 N ATOM 783 CA LEU A 49 -5.467 4.222 -4.279 1.00 0.00 C ATOM 784 C LEU A 49 -4.662 3.220 -5.085 1.00 0.00 C ATOM 785 O LEU A 49 -3.454 3.293 -5.186 1.00 0.00 O ATOM 786 CB LEU A 49 -5.429 3.839 -2.808 1.00 0.00 C ATOM 787 CG LEU A 49 -4.118 4.335 -2.182 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.929 5.824 -2.480 1.00 0.00 C ATOM 789 CD2 LEU A 49 -4.151 4.127 -0.666 1.00 0.00 C ATOM 0 H LEU A 49 -7.486 3.556 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.060 5.226 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.281 4.275 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.509 2.757 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.290 3.769 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.997 6.169 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.893 5.977 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.763 6.388 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.217 4.482 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.985 4.685 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.274 3.066 -0.447 1.00 0.00 H new ATOM 801 N PHE A 50 -5.349 2.280 -5.659 1.00 0.00 N ATOM 802 CA PHE A 50 -4.673 1.242 -6.477 1.00 0.00 C ATOM 803 C PHE A 50 -4.389 1.796 -7.875 1.00 0.00 C ATOM 804 O PHE A 50 -3.335 1.580 -8.438 1.00 0.00 O ATOM 805 CB PHE A 50 -5.582 0.017 -6.584 1.00 0.00 C ATOM 806 CG PHE A 50 -4.810 -1.127 -7.192 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.997 -1.929 -6.383 1.00 0.00 C ATOM 808 CD2 PHE A 50 -4.906 -1.385 -8.564 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.280 -2.992 -6.945 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.189 -2.447 -9.128 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.375 -3.251 -8.318 1.00 0.00 C ATOM 0 H PHE A 50 -6.363 2.185 -5.596 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.732 0.959 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.952 -0.263 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.453 0.249 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.923 -1.728 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.533 -0.765 -9.188 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.654 -3.612 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.263 -2.647 -10.187 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.821 -4.070 -8.753 1.00 0.00 H new ATOM 821 N GLU A 51 -5.325 2.508 -8.441 1.00 0.00 N ATOM 822 CA GLU A 51 -5.110 3.072 -9.803 1.00 0.00 C ATOM 823 C GLU A 51 -4.231 4.322 -9.712 1.00 0.00 C ATOM 824 O GLU A 51 -3.574 4.699 -10.662 1.00 0.00 O ATOM 825 CB GLU A 51 -6.462 3.441 -10.419 1.00 0.00 C ATOM 826 CG GLU A 51 -6.605 2.762 -11.782 1.00 0.00 C ATOM 827 CD GLU A 51 -8.050 2.886 -12.265 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.892 3.257 -11.464 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.291 2.609 -13.429 1.00 0.00 O ATOM 0 H GLU A 51 -6.228 2.723 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.614 2.329 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.271 3.129 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.540 4.523 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.929 3.223 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.324 1.711 -11.708 1.00 0.00 H new ATOM 836 N GLU A 52 -4.211 4.968 -8.577 1.00 0.00 N ATOM 837 CA GLU A 52 -3.370 6.190 -8.437 1.00 0.00 C ATOM 838 C GLU A 52 -1.895 5.803 -8.541 1.00 0.00 C ATOM 839 O GLU A 52 -1.038 6.637 -8.761 1.00 0.00 O ATOM 840 CB GLU A 52 -3.632 6.843 -7.078 1.00 0.00 C ATOM 841 CG GLU A 52 -3.656 8.365 -7.239 1.00 0.00 C ATOM 842 CD GLU A 52 -4.201 9.008 -5.964 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.252 8.325 -4.954 1.00 0.00 O ATOM 844 OE2 GLU A 52 -4.560 10.174 -6.017 1.00 0.00 O ATOM 0 H GLU A 52 -4.738 4.703 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.620 6.896 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.582 6.495 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.857 6.554 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.651 8.735 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.277 8.641 -8.091 1.00 0.00 H new ATOM 851 N LEU A 53 -1.593 4.543 -8.392 1.00 0.00 N ATOM 852 CA LEU A 53 -0.173 4.102 -8.486 1.00 0.00 C ATOM 853 C LEU A 53 0.048 3.393 -9.824 1.00 0.00 C ATOM 854 O LEU A 53 0.787 3.858 -10.669 1.00 0.00 O ATOM 855 CB LEU A 53 0.147 3.132 -7.345 1.00 0.00 C ATOM 856 CG LEU A 53 -0.497 3.623 -6.048 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.666 2.444 -5.089 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.402 4.679 -5.400 1.00 0.00 C ATOM 0 H LEU A 53 -2.268 3.800 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 53 0.479 4.973 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.221 2.136 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.226 3.051 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.471 4.060 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.125 2.791 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.303 1.689 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.310 2.010 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.057 5.029 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.376 4.242 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.528 5.519 -6.083 1.00 0.00 H new ATOM 870 N ASP A 54 -0.587 2.269 -10.023 1.00 0.00 N ATOM 871 CA ASP A 54 -0.409 1.531 -11.304 1.00 0.00 C ATOM 872 C ASP A 54 -1.764 1.393 -12.004 1.00 0.00 C ATOM 873 O ASP A 54 -2.781 1.821 -11.495 1.00 0.00 O ATOM 874 CB ASP A 54 0.157 0.140 -11.011 1.00 0.00 C ATOM 875 CG ASP A 54 1.220 -0.211 -12.055 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.960 0.680 -12.438 1.00 0.00 O ATOM 877 OD2 ASP A 54 1.275 -1.363 -12.451 1.00 0.00 O ATOM 0 H ASP A 54 -1.220 1.831 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 54 0.279 2.077 -11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.592 0.116 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.643 -0.600 -11.028 1.00 0.00 H new ATOM 882 N LYS A 55 -1.786 0.800 -13.166 1.00 0.00 N ATOM 883 CA LYS A 55 -3.076 0.636 -13.894 1.00 0.00 C ATOM 884 C LYS A 55 -3.156 -0.777 -14.476 1.00 0.00 C ATOM 885 O LYS A 55 -4.052 -1.099 -15.230 1.00 0.00 O ATOM 886 CB LYS A 55 -3.158 1.659 -15.031 1.00 0.00 C ATOM 887 CG LYS A 55 -2.053 1.378 -16.052 1.00 0.00 C ATOM 888 CD LYS A 55 -2.553 1.726 -17.458 1.00 0.00 C ATOM 889 CE LYS A 55 -2.939 3.224 -17.521 1.00 0.00 C ATOM 890 NZ LYS A 55 -2.779 3.713 -18.920 1.00 0.00 N ATOM 0 H LYS A 55 -0.967 0.422 -13.643 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.904 0.794 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.134 1.606 -15.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.053 2.669 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.166 1.966 -15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.761 0.329 -16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.778 1.509 -18.193 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.414 1.108 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.969 3.361 -17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.308 3.803 -16.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.037 4.719 -18.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.790 3.595 -19.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.398 3.166 -19.552 1.00 0.00 H new ATOM 904 N ASN A 56 -2.225 -1.625 -14.130 1.00 0.00 N ATOM 905 CA ASN A 56 -2.247 -3.012 -14.661 1.00 0.00 C ATOM 906 C ASN A 56 -1.385 -3.912 -13.775 1.00 0.00 C ATOM 907 O ASN A 56 -1.035 -5.013 -14.152 1.00 0.00 O ATOM 908 CB ASN A 56 -1.696 -3.029 -16.088 1.00 0.00 C ATOM 909 CG ASN A 56 -2.167 -4.298 -16.809 1.00 0.00 C ATOM 910 OD1 ASN A 56 -2.012 -4.417 -18.010 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.739 -5.259 -16.131 1.00 0.00 N ATOM 0 H ASN A 56 -1.450 -1.414 -13.501 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.274 -3.377 -14.666 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.034 -2.145 -16.629 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.607 -2.994 -16.068 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.053 -6.104 -16.609 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.871 -5.164 -15.124 1.00 0.00 H new ATOM 918 N GLY A 57 -1.046 -3.470 -12.592 1.00 0.00 N ATOM 919 CA GLY A 57 -0.224 -4.329 -11.703 1.00 0.00 C ATOM 920 C GLY A 57 -0.867 -5.706 -11.671 1.00 0.00 C ATOM 921 O GLY A 57 -0.223 -6.701 -11.408 1.00 0.00 O ATOM 0 H GLY A 57 -1.302 -2.560 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.800 -4.393 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.175 -3.906 -10.700 1.00 0.00 H new ATOM 925 N ASP A 58 -2.152 -5.746 -11.922 1.00 0.00 N ATOM 926 CA ASP A 58 -2.907 -7.023 -11.907 1.00 0.00 C ATOM 927 C ASP A 58 -3.414 -7.233 -10.491 1.00 0.00 C ATOM 928 O ASP A 58 -3.723 -8.333 -10.077 1.00 0.00 O ATOM 929 CB ASP A 58 -2.012 -8.183 -12.326 1.00 0.00 C ATOM 930 CG ASP A 58 -2.825 -9.199 -13.132 1.00 0.00 C ATOM 931 OD1 ASP A 58 -3.586 -9.934 -12.524 1.00 0.00 O ATOM 932 OD2 ASP A 58 -2.672 -9.225 -14.341 1.00 0.00 O ATOM 0 H ASP A 58 -2.716 -4.925 -12.141 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.737 -6.981 -12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.178 -7.814 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.585 -8.662 -11.445 1.00 0.00 H new ATOM 937 N GLY A 59 -3.502 -6.165 -9.743 1.00 0.00 N ATOM 938 CA GLY A 59 -3.990 -6.278 -8.352 1.00 0.00 C ATOM 939 C GLY A 59 -2.811 -6.192 -7.375 1.00 0.00 C ATOM 940 O GLY A 59 -2.981 -6.276 -6.174 1.00 0.00 O ATOM 0 H GLY A 59 -3.255 -5.222 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.705 -5.483 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.516 -7.223 -8.218 1.00 0.00 H new ATOM 944 N GLU A 60 -1.619 -6.021 -7.878 1.00 0.00 N ATOM 945 CA GLU A 60 -0.432 -5.927 -6.983 1.00 0.00 C ATOM 946 C GLU A 60 0.159 -4.516 -7.075 1.00 0.00 C ATOM 947 O GLU A 60 -0.073 -3.794 -8.023 1.00 0.00 O ATOM 948 CB GLU A 60 0.618 -6.948 -7.431 1.00 0.00 C ATOM 949 CG GLU A 60 1.952 -6.654 -6.743 1.00 0.00 C ATOM 950 CD GLU A 60 2.906 -7.830 -6.957 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.799 -8.796 -6.219 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.727 -7.746 -7.855 1.00 0.00 O ATOM 0 H GLU A 60 -1.416 -5.942 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.728 -6.133 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.286 -7.957 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.740 -6.907 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.388 -5.740 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.795 -6.489 -5.677 1.00 0.00 H new ATOM 959 N VAL A 61 0.931 -4.131 -6.101 1.00 0.00 N ATOM 960 CA VAL A 61 1.559 -2.784 -6.118 1.00 0.00 C ATOM 961 C VAL A 61 3.011 -2.950 -5.676 1.00 0.00 C ATOM 962 O VAL A 61 3.301 -3.090 -4.508 1.00 0.00 O ATOM 963 CB VAL A 61 0.796 -1.842 -5.163 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.756 -0.867 -4.471 1.00 0.00 C ATOM 965 CG2 VAL A 61 -0.225 -1.039 -5.968 1.00 0.00 C ATOM 0 H VAL A 61 1.156 -4.699 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 61 1.522 -2.345 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 61 0.300 -2.445 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.193 -0.214 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.492 -1.428 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.267 -0.264 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.769 -0.370 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.291 -0.453 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.926 -1.721 -6.450 1.00 0.00 H new ATOM 975 N SER A 62 3.925 -2.935 -6.595 1.00 0.00 N ATOM 976 CA SER A 62 5.343 -3.113 -6.212 1.00 0.00 C ATOM 977 C SER A 62 5.819 -1.817 -5.553 1.00 0.00 C ATOM 978 O SER A 62 5.099 -0.844 -5.492 1.00 0.00 O ATOM 979 CB SER A 62 6.166 -3.412 -7.475 1.00 0.00 C ATOM 980 OG SER A 62 6.075 -2.305 -8.369 1.00 0.00 O ATOM 0 H SER A 62 3.752 -2.808 -7.592 1.00 0.00 H new ATOM 0 HA SER A 62 5.463 -3.942 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.207 -3.595 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.796 -4.316 -7.959 1.00 0.00 H new ATOM 0 HG SER A 62 6.600 -2.491 -9.175 1.00 0.00 H new ATOM 986 N PHE A 63 7.012 -1.804 -5.039 1.00 0.00 N ATOM 987 CA PHE A 63 7.526 -0.582 -4.358 1.00 0.00 C ATOM 988 C PHE A 63 7.651 0.543 -5.386 1.00 0.00 C ATOM 989 O PHE A 63 7.853 1.686 -5.041 1.00 0.00 O ATOM 990 CB PHE A 63 8.898 -0.889 -3.750 1.00 0.00 C ATOM 991 CG PHE A 63 9.153 -0.053 -2.501 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.258 -0.089 -1.420 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.305 0.740 -2.414 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.513 0.660 -0.265 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.558 1.495 -1.256 1.00 0.00 C ATOM 996 CZ PHE A 63 9.660 1.454 -0.181 1.00 0.00 C ATOM 0 H PHE A 63 7.660 -2.591 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 63 6.842 -0.274 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.958 -1.948 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.677 -0.692 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.368 -0.698 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.001 0.771 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.821 0.624 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.445 2.107 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.854 2.034 0.709 1.00 0.00 H new ATOM 1006 N GLU A 64 7.520 0.232 -6.649 1.00 0.00 N ATOM 1007 CA GLU A 64 7.617 1.299 -7.684 1.00 0.00 C ATOM 1008 C GLU A 64 6.309 2.093 -7.689 1.00 0.00 C ATOM 1009 O GLU A 64 6.282 3.270 -7.990 1.00 0.00 O ATOM 1010 CB GLU A 64 7.850 0.683 -9.067 1.00 0.00 C ATOM 1011 CG GLU A 64 8.629 1.671 -9.939 1.00 0.00 C ATOM 1012 CD GLU A 64 10.063 1.795 -9.416 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.316 1.321 -8.321 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.883 2.360 -10.120 1.00 0.00 O ATOM 0 H GLU A 64 7.351 -0.709 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 64 8.457 1.955 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.404 -0.251 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.896 0.442 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.637 1.331 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.141 2.646 -9.927 1.00 0.00 H new ATOM 1021 N GLU A 65 5.225 1.454 -7.336 1.00 0.00 N ATOM 1022 CA GLU A 65 3.910 2.159 -7.293 1.00 0.00 C ATOM 1023 C GLU A 65 3.588 2.495 -5.836 1.00 0.00 C ATOM 1024 O GLU A 65 2.745 3.321 -5.545 1.00 0.00 O ATOM 1025 CB GLU A 65 2.811 1.255 -7.862 1.00 0.00 C ATOM 1026 CG GLU A 65 3.415 0.274 -8.870 1.00 0.00 C ATOM 1027 CD GLU A 65 3.945 1.046 -10.080 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.320 2.024 -10.455 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.968 0.645 -10.610 1.00 0.00 O ATOM 0 H GLU A 65 5.194 0.469 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 65 3.960 3.070 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.324 0.707 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.044 1.860 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.222 -0.291 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.662 -0.448 -9.187 1.00 0.00 H new ATOM 1036 N PHE A 66 4.266 1.857 -4.921 1.00 0.00 N ATOM 1037 CA PHE A 66 4.033 2.117 -3.471 1.00 0.00 C ATOM 1038 C PHE A 66 4.796 3.375 -3.045 1.00 0.00 C ATOM 1039 O PHE A 66 4.913 3.666 -1.877 1.00 0.00 O ATOM 1040 CB PHE A 66 4.557 0.923 -2.666 1.00 0.00 C ATOM 1041 CG PHE A 66 4.113 1.035 -1.225 1.00 0.00 C ATOM 1042 CD1 PHE A 66 2.754 0.951 -0.913 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.054 1.248 -0.205 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.325 1.083 0.411 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.624 1.373 1.123 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.260 1.295 1.430 1.00 0.00 C ATOM 0 H PHE A 66 4.981 1.157 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 66 2.967 2.258 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.187 -0.007 -3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.645 0.888 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.032 0.783 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.105 1.315 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.273 1.021 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.346 1.530 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.930 1.398 2.453 1.00 0.00 H new ATOM 1056 N GLN A 67 5.311 4.116 -3.991 1.00 0.00 N ATOM 1057 CA GLN A 67 6.081 5.363 -3.649 1.00 0.00 C ATOM 1058 C GLN A 67 5.118 6.499 -3.376 1.00 0.00 C ATOM 1059 O GLN A 67 5.305 7.296 -2.483 1.00 0.00 O ATOM 1060 CB GLN A 67 7.007 5.759 -4.800 1.00 0.00 C ATOM 1061 CG GLN A 67 7.920 4.589 -5.160 1.00 0.00 C ATOM 1062 CD GLN A 67 9.089 4.495 -4.156 1.00 0.00 C ATOM 1063 OE1 GLN A 67 9.906 5.391 -4.095 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.214 3.452 -3.355 1.00 0.00 N ATOM 0 H GLN A 67 5.235 3.917 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 67 6.682 5.163 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.417 6.052 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.606 6.624 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.351 3.659 -5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.308 4.719 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.534 2.693 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.990 3.406 -2.695 1.00 0.00 H new ATOM 1073 N VAL A 68 4.088 6.581 -4.135 1.00 0.00 N ATOM 1074 CA VAL A 68 3.103 7.669 -3.904 1.00 0.00 C ATOM 1075 C VAL A 68 2.598 7.569 -2.460 1.00 0.00 C ATOM 1076 O VAL A 68 2.060 8.507 -1.907 1.00 0.00 O ATOM 1077 CB VAL A 68 1.948 7.510 -4.882 1.00 0.00 C ATOM 1078 CG1 VAL A 68 1.212 8.843 -5.010 1.00 0.00 C ATOM 1079 CG2 VAL A 68 2.508 7.094 -6.244 1.00 0.00 C ATOM 0 H VAL A 68 3.874 5.950 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 68 3.563 8.645 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 68 1.254 6.749 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.383 8.735 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.827 9.141 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.900 9.605 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.689 6.977 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.194 7.860 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.040 6.148 -6.145 1.00 0.00 H new ATOM 1089 N LEU A 69 2.783 6.429 -1.851 1.00 0.00 N ATOM 1090 CA LEU A 69 2.340 6.223 -0.439 1.00 0.00 C ATOM 1091 C LEU A 69 3.517 6.470 0.501 1.00 0.00 C ATOM 1092 O LEU A 69 3.333 6.737 1.664 1.00 0.00 O ATOM 1093 CB LEU A 69 1.931 4.759 -0.264 1.00 0.00 C ATOM 1094 CG LEU A 69 0.492 4.594 0.268 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.543 4.363 1.774 1.00 0.00 C ATOM 1096 CD2 LEU A 69 -0.366 5.830 -0.018 1.00 0.00 C ATOM 0 H LEU A 69 3.230 5.618 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 69 1.515 6.900 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.019 4.246 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.624 4.274 0.423 1.00 0.00 H new ATOM 0 HG LEU A 69 0.039 3.743 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.470 4.245 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.118 3.461 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.018 5.217 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.372 5.673 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.079 6.701 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.417 5.997 -1.094 1.00 0.00 H new ATOM 1108 N VAL A 70 4.727 6.339 0.030 1.00 0.00 N ATOM 1109 CA VAL A 70 5.871 6.544 0.931 1.00 0.00 C ATOM 1110 C VAL A 70 5.796 7.950 1.522 1.00 0.00 C ATOM 1111 O VAL A 70 6.203 8.180 2.638 1.00 0.00 O ATOM 1112 CB VAL A 70 7.175 6.377 0.159 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.204 5.000 -0.493 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.295 7.456 -0.917 1.00 0.00 C ATOM 0 H VAL A 70 4.961 6.101 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 70 5.840 5.807 1.734 1.00 0.00 H new ATOM 0 HB VAL A 70 8.012 6.474 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.136 4.879 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.136 4.231 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.361 4.904 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.231 7.325 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.458 7.373 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.282 8.440 -0.448 1.00 0.00 H new ATOM 1124 N LYS A 71 5.254 8.889 0.788 1.00 0.00 N ATOM 1125 CA LYS A 71 5.137 10.274 1.323 1.00 0.00 C ATOM 1126 C LYS A 71 3.824 10.397 2.093 1.00 0.00 C ATOM 1127 O LYS A 71 3.259 11.464 2.224 1.00 0.00 O ATOM 1128 CB LYS A 71 5.157 11.271 0.179 1.00 0.00 C ATOM 1129 CG LYS A 71 6.360 12.205 0.335 1.00 0.00 C ATOM 1130 CD LYS A 71 6.044 13.560 -0.303 1.00 0.00 C ATOM 1131 CE LYS A 71 5.590 13.351 -1.753 1.00 0.00 C ATOM 1132 NZ LYS A 71 6.605 12.533 -2.477 1.00 0.00 N ATOM 0 H LYS A 71 4.889 8.754 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 71 5.975 10.484 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.213 10.745 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.233 11.849 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.598 12.335 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.238 11.765 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.263 14.067 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.925 14.201 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.622 12.851 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.462 14.314 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.630 12.817 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.541 12.684 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.352 11.526 -2.409 1.00 0.00 H new ATOM 1146 N LYS A 72 3.341 9.299 2.604 1.00 0.00 N ATOM 1147 CA LYS A 72 2.076 9.315 3.371 1.00 0.00 C ATOM 1148 C LYS A 72 2.349 8.807 4.792 1.00 0.00 C ATOM 1149 O LYS A 72 1.448 8.683 5.597 1.00 0.00 O ATOM 1150 CB LYS A 72 1.048 8.400 2.698 1.00 0.00 C ATOM 1151 CG LYS A 72 0.232 9.203 1.685 1.00 0.00 C ATOM 1152 CD LYS A 72 1.160 9.782 0.617 1.00 0.00 C ATOM 1153 CE LYS A 72 0.324 10.335 -0.539 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.132 11.801 -0.352 1.00 0.00 N ATOM 0 H LYS A 72 3.779 8.382 2.519 1.00 0.00 H new ATOM 0 HA LYS A 72 1.684 10.332 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.554 7.573 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.388 7.964 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.519 8.564 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.303 10.007 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.776 10.573 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.839 9.011 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.822 10.140 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.642 9.832 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.436 12.180 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.361 11.975 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.058 12.273 -0.336 1.00 0.00 H new ATOM 1168 N ILE A 73 3.586 8.479 5.103 1.00 0.00 N ATOM 1169 CA ILE A 73 3.894 7.948 6.461 1.00 0.00 C ATOM 1170 C ILE A 73 4.662 8.929 7.280 1.00 0.00 C ATOM 1171 O ILE A 73 4.419 9.116 8.455 1.00 0.00 O ATOM 1172 CB ILE A 73 4.862 6.782 6.367 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.757 6.124 5.016 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.592 5.804 7.486 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.321 5.662 4.780 1.00 0.00 C ATOM 0 H ILE A 73 4.386 8.558 4.475 1.00 0.00 H new ATOM 0 HA ILE A 73 2.926 7.696 6.895 1.00 0.00 H new ATOM 0 HB ILE A 73 5.883 7.147 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.057 6.823 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.437 5.274 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.289 4.969 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.722 6.304 8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.570 5.432 7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.248 5.186 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.037 4.948 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.652 6.521 4.816 1.00 0.00 H new ATOM 1187 N SER A 74 5.695 9.434 6.700 1.00 0.00 N ATOM 1188 CA SER A 74 6.596 10.261 7.479 1.00 0.00 C ATOM 1189 C SER A 74 5.815 11.235 8.370 1.00 0.00 C ATOM 1190 O SER A 74 5.558 10.961 9.526 1.00 0.00 O ATOM 1191 CB SER A 74 7.547 11.027 6.563 1.00 0.00 C ATOM 1192 OG SER A 74 6.824 11.530 5.448 1.00 0.00 O ATOM 0 H SER A 74 5.946 9.304 5.720 1.00 0.00 H new ATOM 0 HA SER A 74 7.183 9.606 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.013 11.847 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.350 10.372 6.225 1.00 0.00 H new ATOM 0 HG SER A 74 7.432 12.024 4.859 1.00 0.00 H new ATOM 1198 N GLN A 75 5.439 12.368 7.844 1.00 0.00 N ATOM 1199 CA GLN A 75 4.680 13.356 8.662 1.00 0.00 C ATOM 1200 C GLN A 75 5.451 13.651 9.951 1.00 0.00 C ATOM 1201 O GLN A 75 6.248 14.573 9.944 1.00 0.00 O ATOM 1202 CB GLN A 75 3.305 12.783 9.010 1.00 0.00 C ATOM 1203 CG GLN A 75 2.788 11.954 7.833 1.00 0.00 C ATOM 1204 CD GLN A 75 1.258 11.989 7.815 1.00 0.00 C ATOM 1205 OE1 GLN A 75 0.663 12.601 6.950 1.00 0.00 O ATOM 1206 NE2 GLN A 75 0.593 11.351 8.739 1.00 0.00 N ATOM 1207 OXT GLN A 75 5.229 12.949 10.924 1.00 0.00 O ATOM 0 H GLN A 75 5.625 12.653 6.882 1.00 0.00 H new ATOM 0 HA GLN A 75 4.556 14.278 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.373 12.163 9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.608 13.591 9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.182 12.348 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.138 10.925 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.093 10.838 9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.427 11.366 8.735 1.00 0.00 H new TER 1216 GLN A 75