USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 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 39 HIS : no HE2:sc= -3.11 X(o=-4.8,f=-5!) USER MOD Set 1.2: A 88 PNS S44 : rot 95:sc= -1.65 USER MOD Set 2.1: A 23 THR OG1 : rot -38:sc= 0.976 USER MOD Set 2.2: A 26 THR OG1 : rot -150:sc= 1.39 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0358 (180deg=-0.206) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.046 (180deg=-0.42) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 8 THR OG1 : rot 65:sc= 0.904 USER MOD Single : A 13 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.02) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -170:sc= 0.0242 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.5 USER MOD Single : A 40 MET CE :methyl -164:sc= -0.0458 (180deg=-0.372) USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 45 SER OG : rot 88:sc= 1.03 USER MOD Single : A 49 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0.047) USER MOD Single : A 50 TYR OH : rot 131:sc= -0.236 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.029 (180deg=-0.196) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= -0.0332 (180deg=-0.209) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= -0.433 (180deg=-0.916) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= 0.476 (180deg=0.114) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.383 (180deg=0.377) USER MOD Single : A 82 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.0046) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 84 HIS : no HD1:sc=-0.00317 X(o=-0.0032,f=-0.0032) USER MOD Single : A 85 HIS : no HE2:sc= -0.0129 K(o=-0.013,f=-0.81) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 PNS O33 : rot -13:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.718 2.996 7.760 1.00 0.00 N ATOM 2 CA MET A 1 -11.391 2.729 7.167 1.00 0.00 C ATOM 3 C MET A 1 -10.662 4.060 6.907 1.00 0.00 C ATOM 4 O MET A 1 -11.248 4.978 6.331 1.00 0.00 O ATOM 5 CB MET A 1 -11.551 1.903 5.863 1.00 0.00 C ATOM 6 CG MET A 1 -12.206 0.530 6.073 1.00 0.00 C ATOM 7 SD MET A 1 -12.596 -0.307 4.524 1.00 0.00 S ATOM 8 CE MET A 1 -10.976 -0.496 3.786 1.00 0.00 C ATOM 0 H1 MET A 1 -13.063 2.140 8.239 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.641 3.771 8.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.386 3.265 7.010 1.00 0.00 H new ATOM 0 HA MET A 1 -10.788 2.143 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.149 2.475 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.569 1.761 5.412 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.538 -0.099 6.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.120 0.654 6.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.043 -1.164 2.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.609 0.477 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.289 -0.917 4.520 1.00 0.00 H new ATOM 20 N PRO A 2 -9.354 4.187 7.305 1.00 0.00 N ATOM 21 CA PRO A 2 -8.585 5.447 7.194 1.00 0.00 C ATOM 22 C PRO A 2 -7.879 5.586 5.823 1.00 0.00 C ATOM 23 O PRO A 2 -6.745 6.069 5.741 1.00 0.00 O ATOM 24 CB PRO A 2 -7.594 5.292 8.371 1.00 0.00 C ATOM 25 CG PRO A 2 -7.271 3.827 8.399 1.00 0.00 C ATOM 26 CD PRO A 2 -8.502 3.100 7.881 1.00 0.00 C ATOM 0 HA PRO A 2 -9.191 6.352 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.698 5.893 8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.040 5.618 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.403 3.610 7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.027 3.503 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.239 2.358 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.019 2.571 8.682 1.00 0.00 H new ATOM 34 N THR A 3 -8.602 5.207 4.753 1.00 0.00 N ATOM 35 CA THR A 3 -8.057 5.141 3.390 1.00 0.00 C ATOM 36 C THR A 3 -7.787 6.554 2.819 1.00 0.00 C ATOM 37 O THR A 3 -6.647 6.999 2.823 1.00 0.00 O ATOM 38 CB THR A 3 -9.018 4.312 2.473 1.00 0.00 C ATOM 39 OG1 THR A 3 -10.374 4.763 2.653 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.922 2.806 2.770 1.00 0.00 C ATOM 0 H THR A 3 -9.584 4.938 4.813 1.00 0.00 H new ATOM 0 HA THR A 3 -7.094 4.632 3.422 1.00 0.00 H new ATOM 0 HB THR A 3 -8.714 4.468 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.971 4.243 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.603 2.262 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.901 2.465 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.194 2.622 3.809 1.00 0.00 H new ATOM 48 N LEU A 4 -8.837 7.276 2.385 1.00 0.00 N ATOM 49 CA LEU A 4 -8.703 8.691 1.952 1.00 0.00 C ATOM 50 C LEU A 4 -8.702 9.603 3.192 1.00 0.00 C ATOM 51 O LEU A 4 -8.077 10.667 3.188 1.00 0.00 O ATOM 52 CB LEU A 4 -9.852 9.100 0.984 1.00 0.00 C ATOM 53 CG LEU A 4 -9.933 8.331 -0.377 1.00 0.00 C ATOM 54 CD1 LEU A 4 -11.124 8.838 -1.228 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.598 8.426 -1.161 1.00 0.00 C ATOM 0 H LEU A 4 -9.787 6.910 2.323 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.763 8.801 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.800 8.968 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.752 10.164 0.768 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.105 7.278 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.159 8.288 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.054 8.682 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.998 9.901 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.688 7.881 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.371 9.472 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.795 7.991 -0.566 1.00 0.00 H new ATOM 67 N ASP A 5 -9.396 9.127 4.255 1.00 0.00 N ATOM 68 CA ASP A 5 -9.611 9.846 5.536 1.00 0.00 C ATOM 69 C ASP A 5 -8.294 10.358 6.136 1.00 0.00 C ATOM 70 O ASP A 5 -8.083 11.570 6.264 1.00 0.00 O ATOM 71 CB ASP A 5 -10.328 8.889 6.537 1.00 0.00 C ATOM 72 CG ASP A 5 -10.559 9.494 7.939 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.553 10.234 8.122 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.753 9.235 8.866 1.00 0.00 O ATOM 0 H ASP A 5 -9.834 8.206 4.245 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.232 10.720 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.291 8.597 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.736 7.979 6.639 1.00 0.00 H new ATOM 79 N ALA A 6 -7.410 9.411 6.457 1.00 0.00 N ATOM 80 CA ALA A 6 -6.157 9.691 7.169 1.00 0.00 C ATOM 81 C ALA A 6 -5.088 10.300 6.245 1.00 0.00 C ATOM 82 O ALA A 6 -4.203 11.028 6.716 1.00 0.00 O ATOM 83 CB ALA A 6 -5.651 8.411 7.828 1.00 0.00 C ATOM 0 H ALA A 6 -7.541 8.425 6.231 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.360 10.436 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.721 8.617 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.397 8.046 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.474 7.654 7.064 1.00 0.00 H new ATOM 89 N LEU A 7 -5.167 10.001 4.931 1.00 0.00 N ATOM 90 CA LEU A 7 -4.206 10.523 3.937 1.00 0.00 C ATOM 91 C LEU A 7 -4.347 12.046 3.762 1.00 0.00 C ATOM 92 O LEU A 7 -3.351 12.724 3.533 1.00 0.00 O ATOM 93 CB LEU A 7 -4.360 9.807 2.562 1.00 0.00 C ATOM 94 CG LEU A 7 -3.868 8.328 2.478 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.069 7.762 1.049 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.399 8.203 2.931 1.00 0.00 C ATOM 0 H LEU A 7 -5.888 9.399 4.533 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.208 10.313 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.413 9.831 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.819 10.388 1.815 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.472 7.731 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.719 6.730 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.127 7.795 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.502 8.362 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.084 7.162 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.767 8.817 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.306 8.542 3.963 1.00 0.00 H new ATOM 108 N THR A 8 -5.585 12.581 3.901 1.00 0.00 N ATOM 109 CA THR A 8 -5.865 14.018 3.644 1.00 0.00 C ATOM 110 C THR A 8 -4.995 14.986 4.532 1.00 0.00 C ATOM 111 O THR A 8 -4.394 15.908 3.969 1.00 0.00 O ATOM 112 CB THR A 8 -7.392 14.346 3.772 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.152 13.422 2.980 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.727 15.781 3.322 1.00 0.00 C ATOM 0 H THR A 8 -6.403 12.043 4.188 1.00 0.00 H new ATOM 0 HA THR A 8 -5.570 14.199 2.610 1.00 0.00 H new ATOM 0 HB THR A 8 -7.651 14.257 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.051 12.518 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.797 15.956 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.178 16.493 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.443 15.911 2.278 1.00 0.00 H new ATOM 122 N PRO A 9 -4.882 14.788 5.917 1.00 0.00 N ATOM 123 CA PRO A 9 -3.924 15.553 6.773 1.00 0.00 C ATOM 124 C PRO A 9 -2.460 15.480 6.275 1.00 0.00 C ATOM 125 O PRO A 9 -1.752 16.493 6.273 1.00 0.00 O ATOM 126 CB PRO A 9 -4.051 14.874 8.170 1.00 0.00 C ATOM 127 CG PRO A 9 -5.433 14.310 8.180 1.00 0.00 C ATOM 128 CD PRO A 9 -5.697 13.862 6.756 1.00 0.00 C ATOM 0 HA PRO A 9 -4.163 16.616 6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.302 14.094 8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.909 15.593 8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.511 13.474 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.160 15.058 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.400 12.824 6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.756 13.930 6.508 1.00 0.00 H new ATOM 136 N ILE A 10 -2.036 14.271 5.832 1.00 0.00 N ATOM 137 CA ILE A 10 -0.643 14.009 5.400 1.00 0.00 C ATOM 138 C ILE A 10 -0.287 14.880 4.184 1.00 0.00 C ATOM 139 O ILE A 10 0.674 15.638 4.221 1.00 0.00 O ATOM 140 CB ILE A 10 -0.403 12.492 5.033 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.807 11.550 6.216 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.071 12.245 4.585 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.004 11.737 7.491 1.00 0.00 C ATOM 0 H ILE A 10 -2.646 13.456 5.765 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.001 14.260 6.244 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.048 12.250 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.861 11.709 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.703 10.516 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.205 11.192 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.291 12.853 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.748 12.517 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.359 11.040 8.250 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.050 11.547 7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.126 12.758 7.851 1.00 0.00 H new ATOM 155 N PHE A 11 -1.122 14.781 3.139 1.00 0.00 N ATOM 156 CA PHE A 11 -0.907 15.465 1.854 1.00 0.00 C ATOM 157 C PHE A 11 -1.006 16.995 2.035 1.00 0.00 C ATOM 158 O PHE A 11 -0.157 17.733 1.533 1.00 0.00 O ATOM 159 CB PHE A 11 -1.930 14.966 0.792 1.00 0.00 C ATOM 160 CG PHE A 11 -1.712 13.532 0.283 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.571 12.456 1.161 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.679 13.259 -1.081 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.399 11.170 0.696 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.512 11.971 -1.542 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.377 10.925 -0.658 1.00 0.00 C ATOM 0 H PHE A 11 -1.973 14.219 3.162 1.00 0.00 H new ATOM 0 HA PHE A 11 0.095 15.227 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.931 15.033 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.901 15.644 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.597 12.635 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.786 14.068 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.281 10.355 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.487 11.781 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.254 9.917 -1.025 1.00 0.00 H new ATOM 175 N ARG A 12 -2.033 17.456 2.783 1.00 0.00 N ATOM 176 CA ARG A 12 -2.228 18.896 3.073 1.00 0.00 C ATOM 177 C ARG A 12 -1.031 19.491 3.831 1.00 0.00 C ATOM 178 O ARG A 12 -0.723 20.663 3.655 1.00 0.00 O ATOM 179 CB ARG A 12 -3.547 19.156 3.859 1.00 0.00 C ATOM 180 CG ARG A 12 -4.833 18.950 3.027 1.00 0.00 C ATOM 181 CD ARG A 12 -6.117 19.370 3.768 1.00 0.00 C ATOM 182 NE ARG A 12 -7.309 19.080 2.957 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.553 19.519 3.176 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.826 20.323 4.184 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.520 19.148 2.356 1.00 0.00 N ATOM 0 H ARG A 12 -2.742 16.851 3.198 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.304 19.398 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.578 18.493 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.534 20.177 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.753 19.521 2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.911 17.899 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.182 18.842 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.078 20.435 3.997 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.173 18.482 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.082 20.622 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.782 20.647 4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.313 18.534 1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.474 19.475 2.511 1.00 0.00 H new ATOM 199 N GLN A 13 -0.358 18.685 4.674 1.00 0.00 N ATOM 200 CA GLN A 13 0.835 19.139 5.418 1.00 0.00 C ATOM 201 C GLN A 13 2.078 19.185 4.504 1.00 0.00 C ATOM 202 O GLN A 13 2.717 20.237 4.387 1.00 0.00 O ATOM 203 CB GLN A 13 1.094 18.229 6.649 1.00 0.00 C ATOM 204 CG GLN A 13 2.314 18.620 7.517 1.00 0.00 C ATOM 205 CD GLN A 13 2.249 20.048 8.071 1.00 0.00 C ATOM 206 OE1 GLN A 13 2.776 20.991 7.473 1.00 0.00 O ATOM 207 NE2 GLN A 13 1.573 20.224 9.201 1.00 0.00 N ATOM 0 H GLN A 13 -0.619 17.716 4.858 1.00 0.00 H new ATOM 0 HA GLN A 13 0.642 20.151 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.204 18.236 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.230 17.205 6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.394 17.921 8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.221 18.512 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.149 19.424 9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.478 21.159 9.598 1.00 0.00 H new ATOM 216 N VAL A 14 2.396 18.036 3.858 1.00 0.00 N ATOM 217 CA VAL A 14 3.585 17.882 2.984 1.00 0.00 C ATOM 218 C VAL A 14 3.619 18.958 1.875 1.00 0.00 C ATOM 219 O VAL A 14 4.639 19.623 1.672 1.00 0.00 O ATOM 220 CB VAL A 14 3.657 16.437 2.334 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.838 16.313 1.330 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.753 15.334 3.422 1.00 0.00 C ATOM 0 H VAL A 14 1.833 17.188 3.929 1.00 0.00 H new ATOM 0 HA VAL A 14 4.458 18.014 3.624 1.00 0.00 H new ATOM 0 HB VAL A 14 2.730 16.293 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.852 15.308 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.713 17.042 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.778 16.502 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.801 14.355 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.651 15.490 4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.875 15.381 4.066 1.00 0.00 H new ATOM 232 N PHE A 15 2.477 19.133 1.193 1.00 0.00 N ATOM 233 CA PHE A 15 2.341 20.108 0.090 1.00 0.00 C ATOM 234 C PHE A 15 2.029 21.523 0.616 1.00 0.00 C ATOM 235 O PHE A 15 2.216 22.500 -0.118 1.00 0.00 O ATOM 236 CB PHE A 15 1.259 19.637 -0.920 1.00 0.00 C ATOM 237 CG PHE A 15 1.585 18.285 -1.562 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.694 18.143 -2.395 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.798 17.157 -1.320 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.001 16.923 -2.958 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.105 15.941 -1.885 1.00 0.00 C ATOM 242 CZ PHE A 15 2.205 15.825 -2.700 1.00 0.00 C ATOM 0 H PHE A 15 1.624 18.608 1.386 1.00 0.00 H new ATOM 0 HA PHE A 15 3.298 20.161 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.299 19.568 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.150 20.387 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.320 18.999 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.067 17.241 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.864 16.826 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.483 15.080 -1.689 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.448 14.870 -3.141 1.00 0.00 H new ATOM 252 N ASP A 16 1.544 21.603 1.885 1.00 0.00 N ATOM 253 CA ASP A 16 1.175 22.870 2.563 1.00 0.00 C ATOM 254 C ASP A 16 0.015 23.539 1.796 1.00 0.00 C ATOM 255 O ASP A 16 0.224 24.422 0.952 1.00 0.00 O ATOM 256 CB ASP A 16 2.398 23.812 2.756 1.00 0.00 C ATOM 257 CG ASP A 16 2.046 25.139 3.456 1.00 0.00 C ATOM 258 OD1 ASP A 16 1.697 25.110 4.656 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.125 26.213 2.819 1.00 0.00 O ATOM 0 H ASP A 16 1.398 20.780 2.469 1.00 0.00 H new ATOM 0 HA ASP A 16 0.831 22.645 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.158 23.293 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.837 24.029 1.782 1.00 0.00 H new ATOM 264 N ASP A 17 -1.206 23.057 2.075 1.00 0.00 N ATOM 265 CA ASP A 17 -2.405 23.384 1.288 1.00 0.00 C ATOM 266 C ASP A 17 -3.668 23.032 2.107 1.00 0.00 C ATOM 267 O ASP A 17 -3.568 22.425 3.181 1.00 0.00 O ATOM 268 CB ASP A 17 -2.352 22.616 -0.074 1.00 0.00 C ATOM 269 CG ASP A 17 -3.368 23.117 -1.112 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.100 24.136 -1.782 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.445 22.511 -1.254 1.00 0.00 O ATOM 0 H ASP A 17 -1.390 22.427 2.856 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.441 24.451 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.349 22.704 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.529 21.556 0.111 1.00 0.00 H new ATOM 276 N ASP A 18 -4.846 23.421 1.595 1.00 0.00 N ATOM 277 CA ASP A 18 -6.153 23.233 2.276 1.00 0.00 C ATOM 278 C ASP A 18 -7.231 22.784 1.270 1.00 0.00 C ATOM 279 O ASP A 18 -8.275 22.256 1.665 1.00 0.00 O ATOM 280 CB ASP A 18 -6.616 24.541 2.979 1.00 0.00 C ATOM 281 CG ASP A 18 -5.693 24.976 4.128 1.00 0.00 C ATOM 282 OD1 ASP A 18 -5.758 24.369 5.219 1.00 0.00 O ATOM 283 OD2 ASP A 18 -4.872 25.906 3.940 1.00 0.00 O ATOM 0 H ASP A 18 -4.927 23.880 0.688 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.019 22.458 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.668 25.342 2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.625 24.399 3.367 1.00 0.00 H new ATOM 288 N SER A 19 -6.971 23.023 -0.023 1.00 0.00 N ATOM 289 CA SER A 19 -7.879 22.670 -1.133 1.00 0.00 C ATOM 290 C SER A 19 -7.713 21.196 -1.576 1.00 0.00 C ATOM 291 O SER A 19 -8.509 20.717 -2.390 1.00 0.00 O ATOM 292 CB SER A 19 -7.619 23.626 -2.324 1.00 0.00 C ATOM 293 OG SER A 19 -7.778 24.982 -1.930 1.00 0.00 O ATOM 0 H SER A 19 -6.111 23.474 -0.336 1.00 0.00 H new ATOM 0 HA SER A 19 -8.905 22.781 -0.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.610 23.470 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.308 23.396 -3.137 1.00 0.00 H new ATOM 0 HG SER A 19 -7.607 25.568 -2.697 1.00 0.00 H new ATOM 299 N ILE A 20 -6.668 20.498 -1.062 1.00 0.00 N ATOM 300 CA ILE A 20 -6.456 19.057 -1.334 1.00 0.00 C ATOM 301 C ILE A 20 -7.633 18.227 -0.775 1.00 0.00 C ATOM 302 O ILE A 20 -7.736 17.997 0.422 1.00 0.00 O ATOM 303 CB ILE A 20 -5.076 18.536 -0.748 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.870 19.231 -1.458 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.953 16.986 -0.832 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.495 18.833 -0.938 1.00 0.00 C ATOM 0 H ILE A 20 -5.960 20.913 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.414 18.930 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.054 18.804 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.917 19.006 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.981 20.310 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.993 16.674 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.760 16.526 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.020 16.672 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.726 19.369 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.419 19.085 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.354 17.760 -1.067 1.00 0.00 H new ATOM 318 N VAL A 21 -8.525 17.790 -1.669 1.00 0.00 N ATOM 319 CA VAL A 21 -9.688 16.961 -1.320 1.00 0.00 C ATOM 320 C VAL A 21 -9.542 15.666 -2.131 1.00 0.00 C ATOM 321 O VAL A 21 -10.045 15.554 -3.255 1.00 0.00 O ATOM 322 CB VAL A 21 -11.062 17.694 -1.599 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.272 16.852 -1.107 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.085 19.108 -0.965 1.00 0.00 C ATOM 0 H VAL A 21 -8.462 18.002 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.708 16.753 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.152 17.805 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.198 17.388 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.283 15.893 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.185 16.683 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.042 19.585 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.949 19.025 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.280 19.709 -1.387 1.00 0.00 H new ATOM 334 N LEU A 22 -8.773 14.726 -1.548 1.00 0.00 N ATOM 335 CA LEU A 22 -8.293 13.510 -2.223 1.00 0.00 C ATOM 336 C LEU A 22 -9.426 12.649 -2.793 1.00 0.00 C ATOM 337 O LEU A 22 -10.428 12.387 -2.125 1.00 0.00 O ATOM 338 CB LEU A 22 -7.435 12.651 -1.252 1.00 0.00 C ATOM 339 CG LEU A 22 -6.076 13.276 -0.813 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.368 12.392 0.229 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.161 13.530 -2.038 1.00 0.00 C ATOM 0 H LEU A 22 -8.464 14.794 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.687 13.850 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.025 12.448 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.235 11.691 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.288 14.237 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.423 12.854 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.003 12.287 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.176 11.408 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.219 13.966 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.964 12.586 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.656 14.216 -2.725 1.00 0.00 H new ATOM 353 N THR A 23 -9.198 12.196 -4.021 1.00 0.00 N ATOM 354 CA THR A 23 -10.022 11.208 -4.703 1.00 0.00 C ATOM 355 C THR A 23 -9.104 10.014 -4.981 1.00 0.00 C ATOM 356 O THR A 23 -7.909 10.040 -4.627 1.00 0.00 O ATOM 357 CB THR A 23 -10.616 11.765 -6.047 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.560 12.120 -6.954 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.533 12.979 -5.821 1.00 0.00 C ATOM 0 H THR A 23 -8.411 12.517 -4.585 1.00 0.00 H new ATOM 0 HA THR A 23 -10.877 10.933 -4.086 1.00 0.00 H new ATOM 0 HB THR A 23 -11.220 10.968 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.819 12.521 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.918 13.327 -6.779 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.365 12.692 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.966 13.779 -5.345 1.00 0.00 H new ATOM 367 N ARG A 24 -9.644 8.967 -5.599 1.00 0.00 N ATOM 368 CA ARG A 24 -8.822 7.830 -6.031 1.00 0.00 C ATOM 369 C ARG A 24 -7.899 8.272 -7.177 1.00 0.00 C ATOM 370 O ARG A 24 -6.699 8.011 -7.137 1.00 0.00 O ATOM 371 CB ARG A 24 -9.698 6.606 -6.431 1.00 0.00 C ATOM 372 CG ARG A 24 -10.362 5.857 -5.241 1.00 0.00 C ATOM 373 CD ARG A 24 -11.379 6.716 -4.471 1.00 0.00 C ATOM 374 NE ARG A 24 -12.055 5.984 -3.389 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.310 6.223 -2.963 1.00 0.00 C ATOM 376 NH1 ARG A 24 -14.071 7.126 -3.566 1.00 0.00 N ATOM 377 NH2 ARG A 24 -13.804 5.525 -1.956 1.00 0.00 N ATOM 0 H ARG A 24 -10.637 8.878 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.205 7.503 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.481 6.945 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.079 5.900 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.862 4.964 -5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.586 5.522 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.868 7.583 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.127 7.094 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.534 5.239 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.708 7.649 -4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.020 7.297 -3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.235 4.809 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.754 5.703 -1.630 1.00 0.00 H new ATOM 391 N GLU A 25 -8.447 9.046 -8.138 1.00 0.00 N ATOM 392 CA GLU A 25 -7.735 9.413 -9.383 1.00 0.00 C ATOM 393 C GLU A 25 -6.725 10.562 -9.174 1.00 0.00 C ATOM 394 O GLU A 25 -6.007 10.931 -10.122 1.00 0.00 O ATOM 395 CB GLU A 25 -8.755 9.795 -10.482 1.00 0.00 C ATOM 396 CG GLU A 25 -9.603 11.043 -10.171 1.00 0.00 C ATOM 397 CD GLU A 25 -10.562 11.407 -11.308 1.00 0.00 C ATOM 398 OE1 GLU A 25 -10.103 11.962 -12.330 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.771 11.111 -11.208 1.00 0.00 O ATOM 0 H GLU A 25 -9.389 9.432 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.164 8.539 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.217 9.962 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.424 8.950 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.176 10.870 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.941 11.887 -9.976 1.00 0.00 H new ATOM 406 N THR A 26 -6.678 11.138 -7.951 1.00 0.00 N ATOM 407 CA THR A 26 -5.648 12.120 -7.576 1.00 0.00 C ATOM 408 C THR A 26 -4.257 11.464 -7.695 1.00 0.00 C ATOM 409 O THR A 26 -4.103 10.291 -7.368 1.00 0.00 O ATOM 410 CB THR A 26 -5.874 12.664 -6.120 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.187 13.221 -6.000 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.841 13.736 -5.722 1.00 0.00 C ATOM 0 H THR A 26 -7.347 10.935 -7.208 1.00 0.00 H new ATOM 0 HA THR A 26 -5.714 12.971 -8.254 1.00 0.00 H new ATOM 0 HB THR A 26 -5.755 11.815 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.178 13.941 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.044 14.077 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.839 13.310 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.909 14.580 -6.409 1.00 0.00 H new ATOM 420 N SER A 27 -3.264 12.211 -8.174 1.00 0.00 N ATOM 421 CA SER A 27 -1.936 11.678 -8.493 1.00 0.00 C ATOM 422 C SER A 27 -0.951 12.828 -8.684 1.00 0.00 C ATOM 423 O SER A 27 -1.319 13.992 -8.555 1.00 0.00 O ATOM 424 CB SER A 27 -2.007 10.814 -9.777 1.00 0.00 C ATOM 425 OG SER A 27 -2.461 11.576 -10.885 1.00 0.00 O ATOM 0 H SER A 27 -3.357 13.211 -8.354 1.00 0.00 H new ATOM 0 HA SER A 27 -1.593 11.052 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.022 10.401 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.677 9.970 -9.614 1.00 0.00 H new ATOM 0 HG SER A 27 -2.647 10.978 -11.639 1.00 0.00 H new ATOM 431 N ALA A 28 0.305 12.483 -8.975 1.00 0.00 N ATOM 432 CA ALA A 28 1.347 13.454 -9.329 1.00 0.00 C ATOM 433 C ALA A 28 1.159 13.999 -10.756 1.00 0.00 C ATOM 434 O ALA A 28 1.871 14.912 -11.177 1.00 0.00 O ATOM 435 CB ALA A 28 2.711 12.801 -9.150 1.00 0.00 C ATOM 0 H ALA A 28 0.632 11.517 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 28 1.273 14.315 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.493 13.514 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.833 12.492 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.785 11.929 -9.799 1.00 0.00 H new ATOM 441 N ASN A 29 0.211 13.415 -11.503 1.00 0.00 N ATOM 442 CA ASN A 29 -0.262 13.967 -12.782 1.00 0.00 C ATOM 443 C ASN A 29 -1.334 15.032 -12.490 1.00 0.00 C ATOM 444 O ASN A 29 -1.341 16.113 -13.080 1.00 0.00 O ATOM 445 CB ASN A 29 -0.821 12.833 -13.676 1.00 0.00 C ATOM 446 CG ASN A 29 -1.388 13.325 -15.015 1.00 0.00 C ATOM 447 OD1 ASN A 29 -0.655 13.493 -15.986 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.696 13.549 -15.085 1.00 0.00 N ATOM 0 H ASN A 29 -0.251 12.545 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 29 0.563 14.433 -13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.028 12.111 -13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.605 12.306 -13.132 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.113 13.868 -15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.283 13.402 -14.264 1.00 0.00 H new ATOM 455 N ASP A 30 -2.217 14.707 -11.527 1.00 0.00 N ATOM 456 CA ASP A 30 -3.349 15.561 -11.098 1.00 0.00 C ATOM 457 C ASP A 30 -2.865 16.705 -10.162 1.00 0.00 C ATOM 458 O ASP A 30 -3.559 17.716 -9.987 1.00 0.00 O ATOM 459 CB ASP A 30 -4.404 14.646 -10.415 1.00 0.00 C ATOM 460 CG ASP A 30 -5.653 15.382 -9.908 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.469 15.825 -10.737 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.825 15.503 -8.675 1.00 0.00 O ATOM 0 H ASP A 30 -2.166 13.827 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.803 16.053 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.713 13.878 -11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.933 14.134 -9.575 1.00 0.00 H new ATOM 467 N ILE A 31 -1.648 16.547 -9.597 1.00 0.00 N ATOM 468 CA ILE A 31 -0.979 17.568 -8.759 1.00 0.00 C ATOM 469 C ILE A 31 0.367 17.893 -9.431 1.00 0.00 C ATOM 470 O ILE A 31 1.289 17.067 -9.409 1.00 0.00 O ATOM 471 CB ILE A 31 -0.757 17.094 -7.262 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.113 16.666 -6.595 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.064 18.212 -6.433 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.028 16.258 -5.124 1.00 0.00 C ATOM 0 H ILE A 31 -1.096 15.697 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.617 18.449 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.104 16.221 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.817 17.493 -6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.528 15.832 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.080 17.869 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.904 18.447 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.689 19.105 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.020 15.982 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.355 15.407 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.649 17.094 -4.536 1.00 0.00 H new ATOM 486 N ASP A 32 0.458 19.092 -10.019 1.00 0.00 N ATOM 487 CA ASP A 32 1.586 19.495 -10.888 1.00 0.00 C ATOM 488 C ASP A 32 2.882 19.685 -10.065 1.00 0.00 C ATOM 489 O ASP A 32 3.981 19.424 -10.549 1.00 0.00 O ATOM 490 CB ASP A 32 1.213 20.801 -11.654 1.00 0.00 C ATOM 491 CG ASP A 32 2.124 21.087 -12.865 1.00 0.00 C ATOM 492 OD1 ASP A 32 3.254 21.590 -12.683 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.716 20.790 -14.013 1.00 0.00 O ATOM 0 H ASP A 32 -0.249 19.819 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 32 1.775 18.702 -11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.180 20.730 -11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.264 21.644 -10.965 1.00 0.00 H new ATOM 498 N ALA A 33 2.723 20.117 -8.803 1.00 0.00 N ATOM 499 CA ALA A 33 3.852 20.396 -7.887 1.00 0.00 C ATOM 500 C ALA A 33 4.366 19.121 -7.187 1.00 0.00 C ATOM 501 O ALA A 33 5.342 19.184 -6.431 1.00 0.00 O ATOM 502 CB ALA A 33 3.428 21.455 -6.854 1.00 0.00 C ATOM 0 H ALA A 33 1.808 20.284 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 33 4.681 20.780 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.260 21.660 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.144 22.373 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.579 21.084 -6.280 1.00 0.00 H new ATOM 508 N TRP A 34 3.717 17.969 -7.431 1.00 0.00 N ATOM 509 CA TRP A 34 4.123 16.683 -6.838 1.00 0.00 C ATOM 510 C TRP A 34 5.268 16.071 -7.684 1.00 0.00 C ATOM 511 O TRP A 34 5.051 15.181 -8.513 1.00 0.00 O ATOM 512 CB TRP A 34 2.880 15.749 -6.735 1.00 0.00 C ATOM 513 CG TRP A 34 3.012 14.497 -5.873 1.00 0.00 C ATOM 514 CD1 TRP A 34 4.145 13.930 -5.351 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.924 13.655 -5.451 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.823 12.798 -4.642 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.470 12.611 -4.691 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.547 13.684 -5.649 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.686 11.607 -4.130 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.236 12.692 -5.094 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.338 11.663 -4.344 1.00 0.00 C ATOM 0 H TRP A 34 2.902 17.903 -8.041 1.00 0.00 H new ATOM 0 HA TRP A 34 4.506 16.822 -5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.048 16.337 -6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.609 15.437 -7.743 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.145 14.317 -5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.487 12.194 -4.157 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.096 14.474 -6.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.127 10.812 -3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.306 12.712 -5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.297 10.896 -3.925 1.00 0.00 H new ATOM 532 N ASP A 35 6.480 16.641 -7.504 1.00 0.00 N ATOM 533 CA ASP A 35 7.751 16.161 -8.097 1.00 0.00 C ATOM 534 C ASP A 35 8.030 14.683 -7.721 1.00 0.00 C ATOM 535 O ASP A 35 7.380 14.134 -6.822 1.00 0.00 O ATOM 536 CB ASP A 35 8.897 17.106 -7.608 1.00 0.00 C ATOM 537 CG ASP A 35 10.287 16.806 -8.197 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.599 17.300 -9.299 1.00 0.00 O ATOM 539 OD2 ASP A 35 11.069 16.055 -7.570 1.00 0.00 O ATOM 0 H ASP A 35 6.606 17.472 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 35 7.688 16.190 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.629 18.134 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.959 17.044 -6.522 1.00 0.00 H new ATOM 544 N SER A 36 9.013 14.052 -8.389 1.00 0.00 N ATOM 545 CA SER A 36 9.357 12.639 -8.186 1.00 0.00 C ATOM 546 C SER A 36 9.843 12.426 -6.732 1.00 0.00 C ATOM 547 O SER A 36 9.432 11.489 -6.052 1.00 0.00 O ATOM 548 CB SER A 36 10.463 12.232 -9.202 1.00 0.00 C ATOM 549 OG SER A 36 10.323 12.925 -10.451 1.00 0.00 O ATOM 0 H SER A 36 9.593 14.515 -9.089 1.00 0.00 H new ATOM 0 HA SER A 36 8.479 12.014 -8.351 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.443 12.445 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.418 11.157 -9.376 1.00 0.00 H new ATOM 554 N LEU A 37 10.707 13.345 -6.268 1.00 0.00 N ATOM 555 CA LEU A 37 11.285 13.320 -4.905 1.00 0.00 C ATOM 556 C LEU A 37 10.309 13.903 -3.858 1.00 0.00 C ATOM 557 O LEU A 37 10.545 13.760 -2.652 1.00 0.00 O ATOM 558 CB LEU A 37 12.661 14.062 -4.851 1.00 0.00 C ATOM 559 CG LEU A 37 13.873 13.399 -5.601 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.102 11.940 -5.148 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.737 13.504 -7.133 1.00 0.00 C ATOM 0 H LEU A 37 11.029 14.134 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 37 11.456 12.273 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.520 15.063 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.938 14.181 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 37 14.761 13.967 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.948 11.519 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.310 11.920 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.209 11.350 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.597 13.032 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.825 13.000 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.693 14.554 -7.423 1.00 0.00 H new ATOM 573 N SER A 38 9.212 14.555 -4.309 1.00 0.00 N ATOM 574 CA SER A 38 8.105 14.952 -3.411 1.00 0.00 C ATOM 575 C SER A 38 7.410 13.693 -2.867 1.00 0.00 C ATOM 576 O SER A 38 6.961 13.681 -1.719 1.00 0.00 O ATOM 577 CB SER A 38 7.100 15.871 -4.132 1.00 0.00 C ATOM 578 OG SER A 38 7.721 17.074 -4.544 1.00 0.00 O ATOM 0 H SER A 38 9.071 14.816 -5.285 1.00 0.00 H new ATOM 0 HA SER A 38 8.517 15.520 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.687 15.355 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.266 16.097 -3.467 1.00 0.00 H new ATOM 0 HG SER A 38 7.065 17.641 -5.001 1.00 0.00 H new ATOM 584 N HIS A 39 7.363 12.633 -3.705 1.00 0.00 N ATOM 585 CA HIS A 39 6.936 11.285 -3.276 1.00 0.00 C ATOM 586 C HIS A 39 7.766 10.781 -2.093 1.00 0.00 C ATOM 587 O HIS A 39 7.211 10.216 -1.182 1.00 0.00 O ATOM 588 CB HIS A 39 7.021 10.253 -4.417 1.00 0.00 C ATOM 589 CG HIS A 39 6.025 10.482 -5.500 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.762 9.968 -5.417 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.141 11.182 -6.643 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.146 10.357 -6.505 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.935 11.099 -7.278 1.00 0.00 N ATOM 0 H HIS A 39 7.618 12.688 -4.691 1.00 0.00 H new ATOM 0 HA HIS A 39 5.894 11.387 -2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.023 10.278 -4.845 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.875 9.255 -4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.378 9.399 -4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.018 11.708 -6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.123 10.106 -6.745 1.00 0.00 H new ATOM 601 N MET A 40 9.089 11.023 -2.099 1.00 0.00 N ATOM 602 CA MET A 40 9.990 10.568 -1.004 1.00 0.00 C ATOM 603 C MET A 40 9.563 11.169 0.352 1.00 0.00 C ATOM 604 O MET A 40 9.678 10.510 1.391 1.00 0.00 O ATOM 605 CB MET A 40 11.468 10.903 -1.329 1.00 0.00 C ATOM 606 CG MET A 40 12.019 10.147 -2.546 1.00 0.00 C ATOM 607 SD MET A 40 12.005 8.349 -2.309 1.00 0.00 S ATOM 608 CE MET A 40 13.157 8.146 -0.948 1.00 0.00 C ATOM 0 H MET A 40 9.566 11.530 -2.845 1.00 0.00 H new ATOM 0 HA MET A 40 9.904 9.484 -0.925 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.558 11.975 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.083 10.672 -0.460 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.427 10.399 -3.425 1.00 0.00 H new ATOM 0 HG3 MET A 40 13.039 10.477 -2.744 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.463 7.102 -0.883 1.00 0.00 H new ATOM 0 HE2 MET A 40 14.034 8.771 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.675 8.442 -0.016 1.00 0.00 H new ATOM 618 N ASN A 41 9.015 12.404 0.307 1.00 0.00 N ATOM 619 CA ASN A 41 8.414 13.075 1.483 1.00 0.00 C ATOM 620 C ASN A 41 7.104 12.370 1.905 1.00 0.00 C ATOM 621 O ASN A 41 6.825 12.243 3.099 1.00 0.00 O ATOM 622 CB ASN A 41 8.149 14.573 1.193 1.00 0.00 C ATOM 623 CG ASN A 41 9.434 15.363 0.924 1.00 0.00 C ATOM 624 OD1 ASN A 41 9.851 15.422 -0.332 1.00 0.00 O flip ATOM 625 ND2 ASN A 41 10.055 15.905 1.842 1.00 0.00 N flip ATOM 0 H ASN A 41 8.977 12.964 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 41 9.126 13.007 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.488 14.660 0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.627 15.016 2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.708 15.842 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.915 16.416 1.644 1.00 0.00 H new ATOM 632 N LEU A 42 6.327 11.887 0.912 1.00 0.00 N ATOM 633 CA LEU A 42 5.093 11.094 1.158 1.00 0.00 C ATOM 634 C LEU A 42 5.444 9.765 1.855 1.00 0.00 C ATOM 635 O LEU A 42 4.903 9.489 2.909 1.00 0.00 O ATOM 636 CB LEU A 42 4.304 10.818 -0.178 1.00 0.00 C ATOM 637 CG LEU A 42 3.313 11.920 -0.670 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.079 11.996 0.231 1.00 0.00 C ATOM 639 CD2 LEU A 42 3.996 13.283 -0.778 1.00 0.00 C ATOM 0 H LEU A 42 6.531 12.032 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 42 4.446 11.680 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.033 10.643 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.742 9.892 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 42 2.983 11.637 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.407 12.772 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.563 11.036 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.386 12.234 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.276 14.025 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.379 13.577 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.821 13.221 -1.487 1.00 0.00 H new ATOM 651 N ILE A 43 6.392 8.995 1.263 1.00 0.00 N ATOM 652 CA ILE A 43 6.821 7.665 1.761 1.00 0.00 C ATOM 653 C ILE A 43 7.190 7.746 3.251 1.00 0.00 C ATOM 654 O ILE A 43 6.567 7.083 4.072 1.00 0.00 O ATOM 655 CB ILE A 43 8.037 7.078 0.907 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.561 6.386 -0.414 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.926 6.088 1.715 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.869 7.266 -1.435 1.00 0.00 C ATOM 0 H ILE A 43 6.884 9.284 0.418 1.00 0.00 H new ATOM 0 HA ILE A 43 5.982 6.979 1.644 1.00 0.00 H new ATOM 0 HB ILE A 43 8.642 7.948 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.429 5.930 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.882 5.576 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.734 5.724 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.347 6.600 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.321 5.246 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.590 6.667 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.974 7.703 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.545 8.062 -1.747 1.00 0.00 H new ATOM 670 N VAL A 44 8.149 8.628 3.581 1.00 0.00 N ATOM 671 CA VAL A 44 8.686 8.739 4.942 1.00 0.00 C ATOM 672 C VAL A 44 7.603 9.184 5.950 1.00 0.00 C ATOM 673 O VAL A 44 7.583 8.694 7.080 1.00 0.00 O ATOM 674 CB VAL A 44 9.938 9.686 4.998 1.00 0.00 C ATOM 675 CG1 VAL A 44 11.083 9.148 4.104 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.575 11.145 4.628 1.00 0.00 C ATOM 0 H VAL A 44 8.569 9.278 2.916 1.00 0.00 H new ATOM 0 HA VAL A 44 9.016 7.742 5.235 1.00 0.00 H new ATOM 0 HB VAL A 44 10.292 9.696 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.937 9.823 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.379 8.157 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.739 9.085 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.469 11.767 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.170 11.174 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.830 11.523 5.328 1.00 0.00 H new ATOM 686 N SER A 45 6.684 10.075 5.509 1.00 0.00 N ATOM 687 CA SER A 45 5.547 10.532 6.337 1.00 0.00 C ATOM 688 C SER A 45 4.569 9.377 6.630 1.00 0.00 C ATOM 689 O SER A 45 4.183 9.172 7.775 1.00 0.00 O ATOM 690 CB SER A 45 4.808 11.707 5.656 1.00 0.00 C ATOM 691 OG SER A 45 5.645 12.847 5.550 1.00 0.00 O ATOM 0 H SER A 45 6.710 10.493 4.579 1.00 0.00 H new ATOM 0 HA SER A 45 5.950 10.882 7.287 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.474 11.404 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.916 11.960 6.229 1.00 0.00 H new ATOM 0 HG SER A 45 6.157 12.801 4.715 1.00 0.00 H new ATOM 697 N LEU A 46 4.208 8.601 5.601 1.00 0.00 N ATOM 698 CA LEU A 46 3.235 7.498 5.743 1.00 0.00 C ATOM 699 C LEU A 46 3.805 6.383 6.654 1.00 0.00 C ATOM 700 O LEU A 46 3.100 5.839 7.510 1.00 0.00 O ATOM 701 CB LEU A 46 2.839 6.925 4.356 1.00 0.00 C ATOM 702 CG LEU A 46 2.232 7.928 3.314 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.887 7.219 1.983 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.018 8.674 3.888 1.00 0.00 C ATOM 0 H LEU A 46 4.574 8.713 4.655 1.00 0.00 H new ATOM 0 HA LEU A 46 2.335 7.898 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.725 6.472 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.117 6.124 4.515 1.00 0.00 H new ATOM 0 HG LEU A 46 2.996 8.675 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.469 7.942 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.791 6.784 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.158 6.431 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.624 9.360 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.246 7.955 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.321 9.237 4.771 1.00 0.00 H new ATOM 716 N GLU A 47 5.102 6.095 6.479 1.00 0.00 N ATOM 717 CA GLU A 47 5.829 5.098 7.273 1.00 0.00 C ATOM 718 C GLU A 47 5.828 5.453 8.769 1.00 0.00 C ATOM 719 O GLU A 47 5.436 4.630 9.593 1.00 0.00 O ATOM 720 CB GLU A 47 7.285 4.964 6.747 1.00 0.00 C ATOM 721 CG GLU A 47 7.407 4.342 5.340 1.00 0.00 C ATOM 722 CD GLU A 47 7.084 2.836 5.281 1.00 0.00 C ATOM 723 OE1 GLU A 47 5.895 2.465 5.289 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.030 2.014 5.231 1.00 0.00 O ATOM 0 H GLU A 47 5.681 6.553 5.775 1.00 0.00 H new ATOM 0 HA GLU A 47 5.317 4.142 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.745 5.952 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.856 4.356 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.738 4.872 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.421 4.499 4.973 1.00 0.00 H new ATOM 731 N VAL A 48 6.251 6.681 9.116 1.00 0.00 N ATOM 732 CA VAL A 48 6.429 7.085 10.522 1.00 0.00 C ATOM 733 C VAL A 48 5.087 7.391 11.241 1.00 0.00 C ATOM 734 O VAL A 48 4.912 6.995 12.399 1.00 0.00 O ATOM 735 CB VAL A 48 7.430 8.292 10.659 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.816 7.921 10.076 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.891 9.598 10.024 1.00 0.00 C ATOM 0 H VAL A 48 6.476 7.412 8.441 1.00 0.00 H new ATOM 0 HA VAL A 48 6.865 6.223 11.027 1.00 0.00 H new ATOM 0 HB VAL A 48 7.539 8.491 11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.493 8.769 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.220 7.065 10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.711 7.668 9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.625 10.394 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.709 9.438 8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.959 9.883 10.513 1.00 0.00 H new ATOM 747 N HIS A 49 4.155 8.089 10.554 1.00 0.00 N ATOM 748 CA HIS A 49 2.842 8.492 11.133 1.00 0.00 C ATOM 749 C HIS A 49 1.956 7.265 11.431 1.00 0.00 C ATOM 750 O HIS A 49 1.397 7.148 12.524 1.00 0.00 O ATOM 751 CB HIS A 49 2.077 9.469 10.182 1.00 0.00 C ATOM 752 CG HIS A 49 2.590 10.892 10.162 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.870 11.950 10.668 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.720 11.434 9.654 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.533 13.070 10.475 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.659 12.781 9.859 1.00 0.00 N ATOM 0 H HIS A 49 4.285 8.390 9.588 1.00 0.00 H new ATOM 0 HA HIS A 49 3.055 9.006 12.070 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.121 9.071 9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.027 9.484 10.473 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.525 10.898 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.209 14.057 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.371 13.455 9.580 1.00 0.00 H new ATOM 765 N TYR A 50 1.824 6.376 10.435 1.00 0.00 N ATOM 766 CA TYR A 50 0.980 5.157 10.537 1.00 0.00 C ATOM 767 C TYR A 50 1.743 3.974 11.168 1.00 0.00 C ATOM 768 O TYR A 50 1.128 2.952 11.499 1.00 0.00 O ATOM 769 CB TYR A 50 0.472 4.754 9.136 1.00 0.00 C ATOM 770 CG TYR A 50 -0.370 5.818 8.422 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.234 6.865 7.732 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.762 5.773 8.430 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.504 7.815 7.080 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.508 6.725 7.769 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.869 7.742 7.098 1.00 0.00 C ATOM 776 OH TYR A 50 -2.598 8.681 6.433 1.00 0.00 O ATOM 0 H TYR A 50 2.294 6.474 9.535 1.00 0.00 H new ATOM 0 HA TYR A 50 0.139 5.395 11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.331 4.512 8.510 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.121 3.844 9.229 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.312 6.929 7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.265 4.979 8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.011 8.619 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.587 6.673 7.778 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.271 8.238 5.875 1.00 0.00 H new ATOM 786 N LYS A 51 3.082 4.126 11.293 1.00 0.00 N ATOM 787 CA LYS A 51 3.999 3.101 11.858 1.00 0.00 C ATOM 788 C LYS A 51 4.050 1.849 10.955 1.00 0.00 C ATOM 789 O LYS A 51 4.434 0.765 11.407 1.00 0.00 O ATOM 790 CB LYS A 51 3.653 2.720 13.342 1.00 0.00 C ATOM 791 CG LYS A 51 3.954 3.807 14.405 1.00 0.00 C ATOM 792 CD LYS A 51 2.996 5.010 14.365 1.00 0.00 C ATOM 793 CE LYS A 51 3.255 6.017 15.499 1.00 0.00 C ATOM 794 NZ LYS A 51 3.098 5.400 16.851 1.00 0.00 N ATOM 0 H LYS A 51 3.565 4.975 11.001 1.00 0.00 H new ATOM 0 HA LYS A 51 4.992 3.550 11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.593 2.470 13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.207 1.819 13.604 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.909 3.353 15.395 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.974 4.164 14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.097 5.517 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.968 4.653 14.430 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.263 6.420 15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.565 6.855 15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.063 6.148 17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.217 4.849 16.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.905 4.773 17.042 1.00 0.00 H new ATOM 808 N ILE A 52 3.774 2.040 9.652 1.00 0.00 N ATOM 809 CA ILE A 52 3.611 0.930 8.686 1.00 0.00 C ATOM 810 C ILE A 52 4.927 0.677 7.949 1.00 0.00 C ATOM 811 O ILE A 52 5.897 1.414 8.142 1.00 0.00 O ATOM 812 CB ILE A 52 2.461 1.230 7.653 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.717 2.563 6.872 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.094 1.246 8.358 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.607 2.961 5.903 1.00 0.00 C ATOM 0 H ILE A 52 3.657 2.964 9.237 1.00 0.00 H new ATOM 0 HA ILE A 52 3.334 0.037 9.246 1.00 0.00 H new ATOM 0 HB ILE A 52 2.455 0.427 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.857 3.369 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.649 2.468 6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.311 1.455 7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.911 0.275 8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.090 2.019 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.873 3.896 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.479 2.179 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.675 3.093 6.452 1.00 0.00 H new ATOM 827 N LYS A 53 4.953 -0.379 7.117 1.00 0.00 N ATOM 828 CA LYS A 53 6.160 -0.804 6.390 1.00 0.00 C ATOM 829 C LYS A 53 5.761 -1.176 4.951 1.00 0.00 C ATOM 830 O LYS A 53 5.095 -2.193 4.733 1.00 0.00 O ATOM 831 CB LYS A 53 6.846 -2.016 7.123 1.00 0.00 C ATOM 832 CG LYS A 53 8.379 -2.196 6.893 1.00 0.00 C ATOM 833 CD LYS A 53 8.809 -2.427 5.412 1.00 0.00 C ATOM 834 CE LYS A 53 8.201 -3.694 4.774 1.00 0.00 C ATOM 835 NZ LYS A 53 8.613 -4.932 5.473 1.00 0.00 N ATOM 0 H LYS A 53 4.137 -0.961 6.930 1.00 0.00 H new ATOM 0 HA LYS A 53 6.884 0.010 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.673 -1.909 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.345 -2.932 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.892 -1.311 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.722 -3.041 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.518 -1.559 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.896 -2.495 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.114 -3.618 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.504 -3.752 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.179 -5.754 5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.649 -5.021 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.301 -4.891 6.464 1.00 0.00 H new ATOM 849 N PHE A 54 6.179 -0.354 3.985 1.00 0.00 N ATOM 850 CA PHE A 54 6.113 -0.682 2.552 1.00 0.00 C ATOM 851 C PHE A 54 7.478 -0.469 1.894 1.00 0.00 C ATOM 852 O PHE A 54 8.325 0.270 2.405 1.00 0.00 O ATOM 853 CB PHE A 54 4.989 0.107 1.821 1.00 0.00 C ATOM 854 CG PHE A 54 4.842 1.594 2.158 1.00 0.00 C ATOM 855 CD1 PHE A 54 5.838 2.522 1.858 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.662 2.070 2.710 1.00 0.00 C ATOM 857 CE1 PHE A 54 5.648 3.870 2.093 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.476 3.407 2.950 1.00 0.00 C ATOM 859 CZ PHE A 54 4.461 4.308 2.640 1.00 0.00 C ATOM 0 H PHE A 54 6.577 0.566 4.173 1.00 0.00 H new ATOM 0 HA PHE A 54 5.853 -1.737 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.158 0.019 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.039 -0.383 2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.772 2.182 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.874 1.374 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.426 4.578 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.550 3.752 3.385 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.307 5.361 2.824 1.00 0.00 H new ATOM 869 N ALA A 55 7.680 -1.161 0.768 1.00 0.00 N ATOM 870 CA ALA A 55 8.906 -1.086 -0.032 1.00 0.00 C ATOM 871 C ALA A 55 8.667 -0.171 -1.240 1.00 0.00 C ATOM 872 O ALA A 55 7.581 -0.197 -1.838 1.00 0.00 O ATOM 873 CB ALA A 55 9.321 -2.497 -0.483 1.00 0.00 C ATOM 0 H ALA A 55 6.985 -1.799 0.381 1.00 0.00 H new ATOM 0 HA ALA A 55 9.715 -0.669 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.233 -2.436 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.500 -3.121 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.525 -2.936 -1.084 1.00 0.00 H new ATOM 879 N LEU A 56 9.702 0.602 -1.612 1.00 0.00 N ATOM 880 CA LEU A 56 9.645 1.605 -2.710 1.00 0.00 C ATOM 881 C LEU A 56 9.253 0.934 -4.051 1.00 0.00 C ATOM 882 O LEU A 56 8.666 1.585 -4.921 1.00 0.00 O ATOM 883 CB LEU A 56 11.026 2.348 -2.788 1.00 0.00 C ATOM 884 CG LEU A 56 11.151 3.654 -3.671 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.337 3.362 -5.173 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.974 4.623 -3.415 1.00 0.00 C ATOM 0 H LEU A 56 10.615 0.554 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 56 8.870 2.343 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.315 2.611 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.763 1.633 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 56 12.068 4.149 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.416 4.302 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.246 2.779 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.481 2.798 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.091 5.510 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.035 4.128 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.965 4.915 -2.365 1.00 0.00 H new ATOM 898 N GLY A 57 9.561 -0.372 -4.192 1.00 0.00 N ATOM 899 CA GLY A 57 9.118 -1.170 -5.344 1.00 0.00 C ATOM 900 C GLY A 57 7.589 -1.195 -5.500 1.00 0.00 C ATOM 901 O GLY A 57 7.066 -1.066 -6.616 1.00 0.00 O ATOM 0 H GLY A 57 10.118 -0.895 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.565 -0.766 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.484 -2.191 -5.235 1.00 0.00 H new ATOM 905 N GLU A 58 6.881 -1.349 -4.357 1.00 0.00 N ATOM 906 CA GLU A 58 5.400 -1.274 -4.293 1.00 0.00 C ATOM 907 C GLU A 58 4.918 0.125 -4.723 1.00 0.00 C ATOM 908 O GLU A 58 3.926 0.254 -5.443 1.00 0.00 O ATOM 909 CB GLU A 58 4.874 -1.599 -2.859 1.00 0.00 C ATOM 910 CG GLU A 58 5.227 -3.011 -2.349 1.00 0.00 C ATOM 911 CD GLU A 58 4.690 -3.278 -0.927 1.00 0.00 C ATOM 912 OE1 GLU A 58 3.490 -3.599 -0.782 1.00 0.00 O ATOM 913 OE2 GLU A 58 5.453 -3.146 0.056 1.00 0.00 O ATOM 0 H GLU A 58 7.318 -1.529 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 58 5.000 -2.021 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.279 -0.864 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.790 -1.484 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.818 -3.754 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.310 -3.135 -2.354 1.00 0.00 H new ATOM 920 N LEU A 59 5.673 1.159 -4.302 1.00 0.00 N ATOM 921 CA LEU A 59 5.344 2.587 -4.571 1.00 0.00 C ATOM 922 C LEU A 59 5.416 2.925 -6.072 1.00 0.00 C ATOM 923 O LEU A 59 4.647 3.765 -6.558 1.00 0.00 O ATOM 924 CB LEU A 59 6.275 3.543 -3.764 1.00 0.00 C ATOM 925 CG LEU A 59 5.982 3.705 -2.240 1.00 0.00 C ATOM 926 CD1 LEU A 59 4.683 4.479 -1.993 1.00 0.00 C ATOM 927 CD2 LEU A 59 5.962 2.361 -1.513 1.00 0.00 C ATOM 0 H LEU A 59 6.531 1.035 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 59 4.316 2.737 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.300 3.190 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.226 4.530 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 59 6.804 4.289 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.513 4.571 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.762 5.472 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.849 3.945 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.755 2.523 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.186 1.727 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.931 1.874 -1.622 1.00 0.00 H new ATOM 939 N GLN A 60 6.359 2.291 -6.788 1.00 0.00 N ATOM 940 CA GLN A 60 6.469 2.403 -8.259 1.00 0.00 C ATOM 941 C GLN A 60 5.209 1.868 -8.982 1.00 0.00 C ATOM 942 O GLN A 60 4.916 2.273 -10.109 1.00 0.00 O ATOM 943 CB GLN A 60 7.737 1.651 -8.744 1.00 0.00 C ATOM 944 CG GLN A 60 9.083 2.205 -8.209 1.00 0.00 C ATOM 945 CD GLN A 60 9.485 3.583 -8.767 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.649 4.421 -9.110 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.781 3.839 -8.854 1.00 0.00 N ATOM 0 H GLN A 60 7.066 1.687 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 60 6.552 3.460 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.652 0.604 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.760 1.677 -9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.025 2.272 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.872 1.490 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.460 3.135 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.100 4.740 -9.209 1.00 0.00 H new ATOM 956 N LYS A 61 4.478 0.962 -8.312 1.00 0.00 N ATOM 957 CA LYS A 61 3.225 0.370 -8.834 1.00 0.00 C ATOM 958 C LYS A 61 1.995 1.214 -8.448 1.00 0.00 C ATOM 959 O LYS A 61 0.903 0.997 -8.982 1.00 0.00 O ATOM 960 CB LYS A 61 3.067 -1.078 -8.302 1.00 0.00 C ATOM 961 CG LYS A 61 4.236 -2.014 -8.660 1.00 0.00 C ATOM 962 CD LYS A 61 4.395 -2.219 -10.186 1.00 0.00 C ATOM 963 CE LYS A 61 5.534 -3.186 -10.533 1.00 0.00 C ATOM 964 NZ LYS A 61 5.345 -4.520 -9.892 1.00 0.00 N ATOM 0 H LYS A 61 4.737 0.615 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 61 3.287 0.354 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.962 -1.045 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.144 -1.500 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.161 -1.604 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.080 -2.981 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.461 -2.601 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.583 -1.256 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.590 -3.308 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.484 -2.759 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.001 -5.206 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.535 -4.445 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.367 -4.840 -10.039 1.00 0.00 H new ATOM 978 N LEU A 62 2.177 2.178 -7.523 1.00 0.00 N ATOM 979 CA LEU A 62 1.083 3.038 -7.041 1.00 0.00 C ATOM 980 C LEU A 62 0.983 4.262 -7.964 1.00 0.00 C ATOM 981 O LEU A 62 1.764 5.210 -7.853 1.00 0.00 O ATOM 982 CB LEU A 62 1.307 3.460 -5.569 1.00 0.00 C ATOM 983 CG LEU A 62 1.600 2.307 -4.557 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.685 2.848 -3.131 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.590 1.139 -4.647 1.00 0.00 C ATOM 0 H LEU A 62 3.080 2.379 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 62 0.145 2.484 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.139 4.163 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.422 3.998 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 62 2.568 1.891 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.890 2.028 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.487 3.584 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.739 3.319 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.853 0.374 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.414 1.509 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.618 0.710 -5.649 1.00 0.00 H new ATOM 997 N LYS A 63 0.041 4.176 -8.904 1.00 0.00 N ATOM 998 CA LYS A 63 -0.131 5.138 -10.003 1.00 0.00 C ATOM 999 C LYS A 63 -1.016 6.334 -9.556 1.00 0.00 C ATOM 1000 O LYS A 63 -0.921 7.431 -10.117 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.721 4.356 -11.226 1.00 0.00 C ATOM 1002 CG LYS A 63 -0.504 4.972 -12.640 1.00 0.00 C ATOM 1003 CD LYS A 63 -1.409 6.175 -12.971 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.908 5.857 -12.840 1.00 0.00 C ATOM 1005 NZ LYS A 63 -3.748 7.025 -13.170 1.00 0.00 N ATOM 0 H LYS A 63 -0.642 3.419 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 63 0.822 5.579 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.291 3.354 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.794 4.243 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.537 5.284 -12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.669 4.196 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.160 7.003 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.202 6.509 -13.988 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.163 5.028 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.123 5.531 -11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.751 6.770 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.523 7.808 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.562 7.321 -14.150 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.851 6.120 -8.522 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.755 7.171 -7.995 1.00 0.00 C ATOM 1021 C ASN A 64 -3.080 6.925 -6.503 1.00 0.00 C ATOM 1022 O ASN A 64 -2.681 5.908 -5.936 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.036 7.284 -8.894 1.00 0.00 C ATOM 1024 CG ASN A 64 -5.007 6.083 -8.876 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -6.184 6.231 -9.197 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.557 4.903 -8.497 1.00 0.00 N ATOM 0 H ASN A 64 -1.922 5.229 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.249 8.136 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.589 8.172 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.716 7.447 -9.923 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.188 4.102 -8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.578 4.791 -8.233 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.808 7.877 -5.882 1.00 0.00 N ATOM 1034 CA VAL A 65 -4.131 7.872 -4.433 1.00 0.00 C ATOM 1035 C VAL A 65 -5.196 6.795 -4.112 1.00 0.00 C ATOM 1036 O VAL A 65 -5.433 6.470 -2.958 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.579 9.318 -3.949 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.999 9.370 -2.453 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.448 10.343 -4.219 1.00 0.00 C ATOM 0 H VAL A 65 -4.194 8.682 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.230 7.611 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.466 9.575 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.292 10.387 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.840 8.696 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.160 9.063 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.765 11.331 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.551 10.046 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.232 10.374 -5.287 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.805 6.219 -5.166 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.642 5.027 -5.028 1.00 0.00 C ATOM 1051 C GLY A 66 -5.815 3.809 -4.656 1.00 0.00 C ATOM 1052 O GLY A 66 -6.231 2.984 -3.828 1.00 0.00 O ATOM 0 H GLY A 66 -5.728 6.566 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.401 5.200 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.168 4.839 -5.964 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.622 3.719 -5.269 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.624 2.702 -4.929 1.00 0.00 C ATOM 1058 C ASP A 67 -3.101 2.940 -3.509 1.00 0.00 C ATOM 1059 O ASP A 67 -2.972 1.989 -2.760 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.444 2.703 -5.930 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.823 2.226 -7.334 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.368 1.110 -7.463 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.557 2.945 -8.320 1.00 0.00 O ATOM 0 H ASP A 67 -4.327 4.351 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.109 1.727 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.038 3.712 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.650 2.065 -5.542 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.817 4.217 -3.153 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.360 4.599 -1.790 1.00 0.00 C ATOM 1070 C LEU A 68 -3.429 4.310 -0.730 1.00 0.00 C ATOM 1071 O LEU A 68 -3.099 3.903 0.370 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.944 6.112 -1.693 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.480 6.475 -2.067 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.525 5.669 -1.220 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.234 6.323 -3.582 1.00 0.00 C ATOM 0 H LEU A 68 -2.897 5.006 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.481 3.985 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.609 6.686 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.124 6.446 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.319 7.527 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.541 5.943 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.370 5.890 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.375 4.603 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.799 6.584 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.422 5.291 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.905 6.986 -4.128 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.698 4.548 -1.065 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.826 4.364 -0.130 1.00 0.00 C ATOM 1089 C ALA A 69 -5.901 2.895 0.314 1.00 0.00 C ATOM 1090 O ALA A 69 -5.876 2.584 1.514 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.132 4.813 -0.797 1.00 0.00 C ATOM 0 H ALA A 69 -4.980 4.874 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.671 4.978 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.961 4.675 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.058 5.866 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.306 4.218 -1.693 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.923 2.011 -0.700 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.891 0.555 -0.510 1.00 0.00 C ATOM 1099 C ASP A 70 -4.602 0.144 0.235 1.00 0.00 C ATOM 1100 O ASP A 70 -4.678 -0.478 1.275 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.994 -0.174 -1.882 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.066 -1.711 -1.751 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.151 -2.243 -1.406 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -5.053 -2.397 -2.000 1.00 0.00 O ATOM 0 H ASP A 70 -5.964 2.292 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.748 0.260 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.880 0.181 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.131 0.092 -2.493 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.447 0.610 -0.283 1.00 0.00 N ATOM 1110 CA LEU A 71 -2.080 0.233 0.186 1.00 0.00 C ATOM 1111 C LEU A 71 -1.891 0.513 1.680 1.00 0.00 C ATOM 1112 O LEU A 71 -1.589 -0.400 2.450 1.00 0.00 O ATOM 1113 CB LEU A 71 -1.019 0.983 -0.700 1.00 0.00 C ATOM 1114 CG LEU A 71 0.521 0.894 -0.369 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.953 1.903 0.704 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.967 -0.540 -0.028 1.00 0.00 C ATOM 0 H LEU A 71 -3.429 1.274 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.942 -0.842 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.147 0.627 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.287 2.040 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 71 1.043 1.174 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.021 1.798 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.743 2.915 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.401 1.713 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.035 -0.546 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.415 -0.895 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.767 -1.195 -0.876 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.061 1.783 2.062 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.881 2.254 3.441 1.00 0.00 C ATOM 1130 C VAL A 72 -2.817 1.486 4.402 1.00 0.00 C ATOM 1131 O VAL A 72 -2.404 1.113 5.499 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.103 3.818 3.526 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.060 4.323 4.988 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.052 4.584 2.648 1.00 0.00 C ATOM 0 H VAL A 72 -2.331 2.523 1.414 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.856 2.052 3.752 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.098 4.025 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.216 5.402 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.844 3.833 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.089 4.090 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.227 5.657 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.047 4.354 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.151 4.273 1.608 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.050 1.187 3.935 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.035 0.395 4.703 1.00 0.00 C ATOM 1146 C ASP A 73 -4.586 -1.087 4.853 1.00 0.00 C ATOM 1147 O ASP A 73 -4.811 -1.699 5.899 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.427 0.472 4.027 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.540 -0.208 4.843 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.156 0.461 5.710 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.792 -1.419 4.648 1.00 0.00 O ATOM 0 H ASP A 73 -4.388 1.486 3.020 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.100 0.823 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.689 1.518 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.371 0.006 3.043 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.951 -1.643 3.794 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.422 -3.036 3.816 1.00 0.00 C ATOM 1158 C LYS A 74 -2.320 -3.160 4.875 1.00 0.00 C ATOM 1159 O LYS A 74 -2.254 -4.137 5.621 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.840 -3.498 2.442 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.792 -3.427 1.227 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.157 -4.143 1.401 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.063 -5.677 1.583 1.00 0.00 C ATOM 1164 NZ LYS A 74 -4.717 -6.078 2.971 1.00 0.00 N ATOM 0 H LYS A 74 -3.791 -1.153 2.914 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.270 -3.679 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.962 -2.890 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.497 -4.527 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.979 -2.378 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.284 -3.858 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.667 -3.719 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.777 -3.931 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.016 -6.129 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.313 -6.073 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.023 -7.058 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.688 -6.009 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.197 -5.448 3.644 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.485 -2.123 4.927 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.347 -2.034 5.838 1.00 0.00 C ATOM 1180 C LYS A 75 -0.829 -1.847 7.287 1.00 0.00 C ATOM 1181 O LYS A 75 -0.269 -2.434 8.215 1.00 0.00 O ATOM 1182 CB LYS A 75 0.570 -0.872 5.387 1.00 0.00 C ATOM 1183 CG LYS A 75 1.167 -1.044 3.974 1.00 0.00 C ATOM 1184 CD LYS A 75 2.044 -2.311 3.867 1.00 0.00 C ATOM 1185 CE LYS A 75 2.572 -2.563 2.451 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.565 -3.656 2.412 1.00 0.00 N ATOM 0 H LYS A 75 -1.583 -1.306 4.325 1.00 0.00 H new ATOM 0 HA LYS A 75 0.224 -2.962 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.001 0.057 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.385 -0.770 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.360 -1.099 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.764 -0.167 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.888 -2.220 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.463 -3.175 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.739 -2.808 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.025 -1.649 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.231 -3.492 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.086 -3.684 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.077 -4.563 2.267 1.00 0.00 H new ATOM 1200 N LEU A 76 -1.897 -1.048 7.452 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.560 -0.827 8.752 1.00 0.00 C ATOM 1202 C LEU A 76 -3.290 -2.092 9.229 1.00 0.00 C ATOM 1203 O LEU A 76 -3.423 -2.314 10.437 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.535 0.370 8.654 1.00 0.00 C ATOM 1205 CG LEU A 76 -2.859 1.771 8.588 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -3.882 2.862 8.226 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.128 2.089 9.915 1.00 0.00 C ATOM 0 H LEU A 76 -2.328 -0.534 6.684 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.794 -0.594 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.155 0.241 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.202 0.346 9.516 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.111 1.754 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.383 3.830 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.321 2.641 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.668 2.889 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.663 3.072 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.845 2.082 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.361 1.336 10.097 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.754 -2.914 8.270 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.354 -4.232 8.557 1.00 0.00 C ATOM 1221 C ALA A 77 -3.281 -5.193 9.094 1.00 0.00 C ATOM 1222 O ALA A 77 -3.539 -5.997 9.994 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.026 -4.806 7.296 1.00 0.00 C ATOM 0 H ALA A 77 -3.724 -2.685 7.276 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.122 -4.111 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.463 -5.778 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.809 -4.127 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.282 -4.920 6.507 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.062 -5.074 8.532 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.876 -5.814 9.002 1.00 0.00 C ATOM 1231 C ARG A 78 -0.406 -5.301 10.381 1.00 0.00 C ATOM 1232 O ARG A 78 0.219 -6.045 11.143 1.00 0.00 O ATOM 1233 CB ARG A 78 0.277 -5.707 7.966 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.014 -6.377 6.596 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.399 -7.867 6.738 1.00 0.00 C ATOM 1236 NE ARG A 78 0.588 -8.615 7.547 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.303 -9.597 8.418 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -0.923 -10.099 8.523 1.00 0.00 N ATOM 1239 NH2 ARG A 78 1.270 -10.097 9.173 1.00 0.00 N ATOM 0 H ARG A 78 -1.873 -4.461 7.739 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.157 -6.862 9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.500 -4.653 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.173 -6.159 8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.822 -5.842 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.866 -6.291 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.383 -7.946 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.475 -8.319 5.749 1.00 0.00 H new ATOM 0 HE ARG A 78 1.570 -8.363 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.674 -9.739 7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.113 -10.845 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.220 -9.736 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.064 -10.843 9.838 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.738 -4.030 10.695 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.395 -3.398 11.987 1.00 0.00 C ATOM 1255 C LYS A 79 -1.321 -3.866 13.123 1.00 0.00 C ATOM 1256 O LYS A 79 -1.045 -3.550 14.285 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.446 -1.847 11.876 1.00 0.00 C ATOM 1258 CG LYS A 79 0.687 -1.217 11.040 1.00 0.00 C ATOM 1259 CD LYS A 79 2.090 -1.493 11.626 1.00 0.00 C ATOM 1260 CE LYS A 79 2.261 -0.953 13.062 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.647 -1.131 13.552 1.00 0.00 N ATOM 0 H LYS A 79 -1.250 -3.415 10.062 1.00 0.00 H new ATOM 0 HA LYS A 79 0.621 -3.709 12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.403 -1.560 11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.415 -1.424 12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.641 -1.606 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.530 -0.140 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.274 -2.567 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.843 -1.039 10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.999 0.105 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.570 -1.468 13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.704 -0.835 14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.918 -2.132 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.294 -0.551 12.981 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.425 -4.585 12.787 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.342 -5.163 13.796 1.00 0.00 C ATOM 1277 C LEU A 80 -2.620 -6.253 14.606 1.00 0.00 C ATOM 1278 O LEU A 80 -2.658 -7.440 14.264 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.674 -5.707 13.155 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.902 -4.743 13.184 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.289 -4.371 14.629 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -5.661 -3.490 12.321 1.00 0.00 C ATOM 0 H LEU A 80 -2.698 -4.776 11.823 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.635 -4.362 14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.471 -5.971 12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.950 -6.627 13.670 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.746 -5.276 12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.147 -3.699 14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.546 -5.275 15.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.448 -3.875 15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.537 -2.843 12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.792 -2.951 12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.483 -3.788 11.288 1.00 0.00 H new ATOM 1294 N GLU A 81 -1.919 -5.798 15.645 1.00 0.00 N ATOM 1295 CA GLU A 81 -1.202 -6.643 16.605 1.00 0.00 C ATOM 1296 C GLU A 81 -1.960 -6.535 17.930 1.00 0.00 C ATOM 1297 O GLU A 81 -2.555 -5.491 18.227 1.00 0.00 O ATOM 1298 CB GLU A 81 0.294 -6.161 16.748 1.00 0.00 C ATOM 1299 CG GLU A 81 1.353 -7.274 16.978 1.00 0.00 C ATOM 1300 CD GLU A 81 1.280 -7.985 18.344 1.00 0.00 C ATOM 1301 OE1 GLU A 81 1.906 -7.496 19.308 1.00 0.00 O ATOM 1302 OE2 GLU A 81 0.597 -9.032 18.458 1.00 0.00 O ATOM 0 H GLU A 81 -1.831 -4.803 15.849 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.162 -7.681 16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.565 -5.611 15.847 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.350 -5.458 17.579 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.246 -8.022 16.192 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.345 -6.836 16.868 1.00 0.00 H new ATOM 1309 N HIS A 82 -1.950 -7.613 18.710 1.00 0.00 N ATOM 1310 CA HIS A 82 -2.584 -7.653 20.038 1.00 0.00 C ATOM 1311 C HIS A 82 -1.844 -6.740 21.041 1.00 0.00 C ATOM 1312 O HIS A 82 -2.418 -6.351 22.064 1.00 0.00 O ATOM 1313 CB HIS A 82 -2.623 -9.114 20.548 1.00 0.00 C ATOM 1314 CG HIS A 82 -3.501 -10.041 19.732 1.00 0.00 C ATOM 1315 ND1 HIS A 82 -4.591 -10.702 20.259 1.00 0.00 N ATOM 1316 CD2 HIS A 82 -3.442 -10.416 18.429 1.00 0.00 C ATOM 1317 CE1 HIS A 82 -5.154 -11.443 19.326 1.00 0.00 C ATOM 1318 NE2 HIS A 82 -4.477 -11.289 18.204 1.00 0.00 N ATOM 0 H HIS A 82 -1.502 -8.490 18.444 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.603 -7.278 19.950 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.607 -9.510 20.556 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.974 -9.116 21.580 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.714 -10.088 17.702 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.023 -12.071 19.458 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.688 -11.744 17.316 1.00 0.00 H new ATOM 1327 N HIS A 83 -0.582 -6.399 20.700 1.00 0.00 N ATOM 1328 CA HIS A 83 0.347 -5.639 21.544 1.00 0.00 C ATOM 1329 C HIS A 83 0.707 -6.470 22.783 1.00 0.00 C ATOM 1330 O HIS A 83 -0.050 -6.518 23.760 1.00 0.00 O ATOM 1331 CB HIS A 83 -0.172 -4.228 21.924 1.00 0.00 C ATOM 1332 CG HIS A 83 0.780 -3.463 22.811 1.00 0.00 C ATOM 1333 ND1 HIS A 83 0.684 -3.470 24.185 1.00 0.00 N ATOM 1334 CD2 HIS A 83 1.893 -2.758 22.519 1.00 0.00 C ATOM 1335 CE1 HIS A 83 1.694 -2.800 24.697 1.00 0.00 C ATOM 1336 NE2 HIS A 83 2.446 -2.360 23.708 1.00 0.00 N ATOM 0 H HIS A 83 -0.176 -6.656 19.801 1.00 0.00 H new ATOM 0 HA HIS A 83 1.248 -5.455 20.958 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.349 -3.656 21.013 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.132 -4.325 22.431 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.277 -2.547 21.532 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.876 -2.638 25.749 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.300 -1.812 23.811 1.00 0.00 H new ATOM 1345 N HIS A 84 1.852 -7.151 22.697 1.00 0.00 N ATOM 1346 CA HIS A 84 2.363 -8.020 23.764 1.00 0.00 C ATOM 1347 C HIS A 84 2.770 -7.178 24.991 1.00 0.00 C ATOM 1348 O HIS A 84 3.316 -6.077 24.837 1.00 0.00 O ATOM 1349 CB HIS A 84 3.582 -8.839 23.258 1.00 0.00 C ATOM 1350 CG HIS A 84 3.348 -9.598 21.977 1.00 0.00 C ATOM 1351 ND1 HIS A 84 4.338 -9.834 21.050 1.00 0.00 N ATOM 1352 CD2 HIS A 84 2.232 -10.178 21.478 1.00 0.00 C ATOM 1353 CE1 HIS A 84 3.843 -10.519 20.042 1.00 0.00 C ATOM 1354 NE2 HIS A 84 2.562 -10.740 20.275 1.00 0.00 N ATOM 0 H HIS A 84 2.458 -7.115 21.877 1.00 0.00 H new ATOM 0 HA HIS A 84 1.571 -8.710 24.055 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.422 -8.160 23.113 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.874 -9.546 24.034 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.258 -10.194 21.944 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.392 -10.846 19.171 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.924 -11.246 19.660 1.00 0.00 H new ATOM 1363 N HIS A 85 2.519 -7.717 26.202 1.00 0.00 N ATOM 1364 CA HIS A 85 2.907 -7.085 27.485 1.00 0.00 C ATOM 1365 C HIS A 85 4.353 -7.496 27.884 1.00 0.00 C ATOM 1366 O HIS A 85 4.660 -7.757 29.057 1.00 0.00 O ATOM 1367 CB HIS A 85 1.864 -7.431 28.598 1.00 0.00 C ATOM 1368 CG HIS A 85 1.706 -8.903 28.901 1.00 0.00 C ATOM 1369 ND1 HIS A 85 2.569 -9.602 29.718 1.00 0.00 N ATOM 1370 CD2 HIS A 85 0.776 -9.799 28.496 1.00 0.00 C ATOM 1371 CE1 HIS A 85 2.181 -10.857 29.793 1.00 0.00 C ATOM 1372 NE2 HIS A 85 1.097 -11.001 29.064 1.00 0.00 N ATOM 0 H HIS A 85 2.038 -8.609 26.320 1.00 0.00 H new ATOM 0 HA HIS A 85 2.906 -6.002 27.363 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.152 -6.917 29.515 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.894 -7.032 28.300 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.382 -9.207 30.191 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.063 -9.602 27.846 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.670 -11.637 30.358 1.00 0.00 H new ATOM 1381 N HIS A 86 5.238 -7.499 26.875 1.00 0.00 N ATOM 1382 CA HIS A 86 6.672 -7.831 27.006 1.00 0.00 C ATOM 1383 C HIS A 86 7.521 -6.562 26.773 1.00 0.00 C ATOM 1384 O HIS A 86 8.680 -6.511 27.200 1.00 0.00 O ATOM 1385 CB HIS A 86 7.021 -8.936 25.967 1.00 0.00 C ATOM 1386 CG HIS A 86 8.476 -9.334 25.894 1.00 0.00 C ATOM 1387 ND1 HIS A 86 9.061 -10.218 26.772 1.00 0.00 N ATOM 1388 CD2 HIS A 86 9.453 -8.981 25.024 1.00 0.00 C ATOM 1389 CE1 HIS A 86 10.323 -10.395 26.448 1.00 0.00 C ATOM 1390 NE2 HIS A 86 10.591 -9.655 25.387 1.00 0.00 N ATOM 0 H HIS A 86 4.972 -7.265 25.918 1.00 0.00 H new ATOM 0 HA HIS A 86 6.889 -8.202 28.008 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.432 -9.824 26.197 1.00 0.00 H new ATOM 0 HB3 HIS A 86 6.708 -8.593 24.981 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.354 -8.295 24.196 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.023 -11.037 26.963 1.00 0.00 H new ATOM 0 HE2 HIS A 86 11.494 -9.595 24.916 1.00 0.00 H new ATOM 1399 N HIS A 87 6.907 -5.553 26.100 1.00 0.00 N ATOM 1400 CA HIS A 87 7.558 -4.297 25.657 1.00 0.00 C ATOM 1401 C HIS A 87 8.601 -4.600 24.546 1.00 0.00 C ATOM 1402 O HIS A 87 8.251 -4.503 23.348 1.00 0.00 O ATOM 1403 CB HIS A 87 8.178 -3.495 26.855 1.00 0.00 C ATOM 1404 CG HIS A 87 8.679 -2.114 26.510 1.00 0.00 C ATOM 1405 ND1 HIS A 87 7.937 -0.974 26.719 1.00 0.00 N ATOM 1406 CD2 HIS A 87 9.858 -1.690 25.989 1.00 0.00 C ATOM 1407 CE1 HIS A 87 8.626 0.075 26.341 1.00 0.00 C ATOM 1408 NE2 HIS A 87 9.798 -0.323 25.892 1.00 0.00 N ATOM 1409 OXT HIS A 87 9.749 -4.965 24.875 1.00 0.00 O ATOM 0 H HIS A 87 5.920 -5.595 25.845 1.00 0.00 H new ATOM 0 HA HIS A 87 6.792 -3.648 25.233 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.427 -3.407 27.640 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.005 -4.072 27.269 1.00 0.00 H new ATOM 0 HD2 HIS A 87 10.691 -2.315 25.703 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.287 1.099 26.390 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.536 0.282 25.533 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.423 12.397 -11.681 1.00 0.00 P HETATM 1420 O25 PNS A 88 9.920 11.054 -12.022 1.00 0.00 O HETATM 1421 O26 PNS A 88 9.483 13.433 -12.729 1.00 0.00 O HETATM 1422 O27 PNS A 88 7.925 12.319 -11.110 1.00 0.00 O HETATM 1423 C28 PNS A 88 6.772 12.107 -11.952 1.00 0.00 C HETATM 1424 C29 PNS A 88 5.944 10.816 -11.551 1.00 0.00 C HETATM 1425 C30 PNS A 88 4.422 11.111 -11.722 1.00 0.00 C HETATM 1426 C31 PNS A 88 6.227 10.482 -10.064 1.00 0.00 C HETATM 1427 C32 PNS A 88 6.373 9.573 -12.444 1.00 0.00 C HETATM 1428 O33 PNS A 88 7.784 9.331 -12.311 1.00 0.00 O HETATM 1429 C34 PNS A 88 5.602 8.283 -12.057 1.00 0.00 C HETATM 1430 O35 PNS A 88 6.169 7.388 -11.407 1.00 0.00 O HETATM 1431 N36 PNS A 88 4.322 8.194 -12.479 1.00 0.00 N HETATM 1432 C37 PNS A 88 3.449 7.050 -12.184 1.00 0.00 C HETATM 1433 C38 PNS A 88 3.080 6.991 -10.698 1.00 0.00 C HETATM 1434 C39 PNS A 88 2.248 8.181 -10.183 1.00 0.00 C HETATM 1435 O40 PNS A 88 1.883 9.094 -10.937 1.00 0.00 O HETATM 1436 N41 PNS A 88 1.920 8.129 -8.884 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.135 9.173 -8.211 1.00 0.00 C HETATM 1438 C43 PNS A 88 0.546 8.686 -6.887 1.00 0.00 C HETATM 1439 S44 PNS A 88 1.801 8.152 -5.703 1.00 0.00 S HETATM 0 H432 PNS A 88 -0.045 9.487 -6.443 1.00 0.00 H new HETATM 0 H431 PNS A 88 -0.135 7.858 -7.083 1.00 0.00 H new HETATM 0 H422 PNS A 88 0.329 9.500 -8.868 1.00 0.00 H new HETATM 0 H421 PNS A 88 1.768 10.041 -8.028 1.00 0.00 H new HETATM 0 H382 PNS A 88 3.998 6.930 -10.114 1.00 0.00 H new HETATM 0 H381 PNS A 88 2.523 6.072 -10.514 1.00 0.00 H new HETATM 0 H372 PNS A 88 3.950 6.126 -12.472 1.00 0.00 H new HETATM 0 H371 PNS A 88 2.541 7.121 -12.783 1.00 0.00 H new HETATM 0 H313 PNS A 88 5.662 9.595 -9.776 1.00 0.00 H new HETATM 0 H312 PNS A 88 5.926 11.322 -9.439 1.00 0.00 H new HETATM 0 H311 PNS A 88 7.292 10.293 -9.930 1.00 0.00 H new HETATM 0 H303 PNS A 88 3.847 10.227 -11.448 1.00 0.00 H new HETATM 0 H302 PNS A 88 4.216 11.370 -12.761 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.138 11.943 -11.077 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.097 12.017 -12.988 1.00 0.00 H new HETATM 0 H281 PNS A 88 6.123 12.981 -11.897 1.00 0.00 H new HETATM 0 H44 PNS A 88 2.083 9.133 -4.897 1.00 0.00 H new HETATM 0 H41 PNS A 88 2.230 7.326 -8.337 1.00 0.00 H new HETATM 0 H36 PNS A 88 3.941 8.962 -13.032 1.00 0.00 H new HETATM 0 H33 PNS A 88 8.207 10.098 -11.871 1.00 0.00 H new HETATM 0 H32 PNS A 88 6.128 9.822 -13.477 1.00 0.00 H new