USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Single : A 10 HIS : no HD1:sc=-0.00119 K(o=-0.0012,f=-1.1) USER MOD Single : A 11 MET CE :methyl 170:sc=-0.00984 (180deg=-0.156) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -107:sc= 0.942 (180deg=-0.00617) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-0.91) USER MOD Single : A 28 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.94) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -137:sc= 0.0356 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 13:sc= -0.261 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0231) USER MOD Single : A 56 SER OG : rot 180:sc= -0.517 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 61 MET CE :methyl 138:sc= -0.134 (180deg=-0.526) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0236 (180deg=-0.182) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.11 X(o=0.11,f=-0.31) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= -0.0128 (180deg=-1.14!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00305) USER MOD Single : A 86 SER OG : rot -170:sc= -0.0662 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0525) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 17.307 -9.248 20.611 1.00 0.00 N ATOM 2 CA HIS A 10 16.695 -9.578 19.307 1.00 0.00 C ATOM 3 C HIS A 10 16.652 -11.092 19.130 1.00 0.00 C ATOM 4 O HIS A 10 17.638 -11.780 19.418 1.00 0.00 O ATOM 5 CB HIS A 10 17.474 -8.925 18.148 1.00 0.00 C ATOM 6 CG HIS A 10 17.495 -7.423 18.186 1.00 0.00 C ATOM 7 ND1 HIS A 10 16.365 -6.665 18.016 1.00 0.00 N ATOM 8 CD2 HIS A 10 18.507 -6.541 18.374 1.00 0.00 C ATOM 9 CE1 HIS A 10 16.673 -5.395 18.098 1.00 0.00 C ATOM 10 NE2 HIS A 10 17.967 -5.286 18.314 1.00 0.00 N ATOM 0 HA HIS A 10 15.679 -9.184 19.290 1.00 0.00 H new ATOM 0 HB2 HIS A 10 18.500 -9.292 18.164 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.035 -9.247 17.204 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.546 -6.784 18.540 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.980 -4.572 18.004 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.481 -4.411 18.419 1.00 0.00 H new ATOM 19 N MET A 11 15.511 -11.598 18.641 1.00 0.00 N ATOM 20 CA MET A 11 15.273 -13.039 18.418 1.00 0.00 C ATOM 21 C MET A 11 14.780 -13.245 16.980 1.00 0.00 C ATOM 22 O MET A 11 15.355 -14.031 16.213 1.00 0.00 O ATOM 23 CB MET A 11 14.234 -13.588 19.448 1.00 0.00 C ATOM 24 CG MET A 11 14.672 -13.474 20.925 1.00 0.00 C ATOM 25 SD MET A 11 13.392 -13.965 22.107 1.00 0.00 S ATOM 26 CE MET A 11 13.149 -15.692 21.702 1.00 0.00 C ATOM 0 H MET A 11 14.715 -11.014 18.385 1.00 0.00 H new ATOM 0 HA MET A 11 16.202 -13.590 18.561 1.00 0.00 H new ATOM 0 HB2 MET A 11 13.295 -13.050 19.319 1.00 0.00 H new ATOM 0 HB3 MET A 11 14.036 -14.636 19.221 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.555 -14.094 21.081 1.00 0.00 H new ATOM 0 HG3 MET A 11 14.966 -12.444 21.129 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.523 -16.159 22.462 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.661 -15.773 20.731 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.114 -16.197 21.666 1.00 0.00 H new ATOM 36 N ARG A 12 13.707 -12.519 16.621 1.00 0.00 N ATOM 37 CA ARG A 12 13.123 -12.556 15.270 1.00 0.00 C ATOM 38 C ARG A 12 13.025 -11.111 14.735 1.00 0.00 C ATOM 39 O ARG A 12 11.984 -10.446 14.864 1.00 0.00 O ATOM 40 CB ARG A 12 11.735 -13.265 15.296 1.00 0.00 C ATOM 41 CG ARG A 12 11.144 -13.581 13.905 1.00 0.00 C ATOM 42 CD ARG A 12 12.035 -14.537 13.096 1.00 0.00 C ATOM 43 NE ARG A 12 11.395 -14.985 11.846 1.00 0.00 N ATOM 44 CZ ARG A 12 11.773 -16.050 11.125 1.00 0.00 C ATOM 45 NH1 ARG A 12 12.820 -16.780 11.492 1.00 0.00 N ATOM 46 NH2 ARG A 12 11.098 -16.375 10.037 1.00 0.00 N ATOM 0 H ARG A 12 13.221 -11.890 17.260 1.00 0.00 H new ATOM 0 HA ARG A 12 13.759 -13.134 14.599 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.828 -14.196 15.856 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.031 -12.635 15.840 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.155 -14.024 14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.012 -12.653 13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.976 -14.039 12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.278 -15.406 13.707 1.00 0.00 H new ATOM 0 HE ARG A 12 10.603 -14.442 11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.346 -16.532 12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.098 -17.588 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.294 -15.817 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.381 -17.184 9.484 1.00 0.00 H new ATOM 60 N ASP A 13 14.149 -10.624 14.185 1.00 0.00 N ATOM 61 CA ASP A 13 14.322 -9.238 13.736 1.00 0.00 C ATOM 62 C ASP A 13 15.187 -9.260 12.473 1.00 0.00 C ATOM 63 O ASP A 13 16.403 -9.480 12.541 1.00 0.00 O ATOM 64 CB ASP A 13 15.014 -8.341 14.808 1.00 0.00 C ATOM 65 CG ASP A 13 14.206 -8.130 16.100 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.189 -9.042 16.958 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.631 -7.033 16.298 1.00 0.00 O ATOM 0 H ASP A 13 14.979 -11.198 14.038 1.00 0.00 H new ATOM 0 HA ASP A 13 13.336 -8.813 13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.975 -8.786 15.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.223 -7.367 14.365 1.00 0.00 H new ATOM 72 N TYR A 14 14.533 -9.115 11.328 1.00 0.00 N ATOM 73 CA TYR A 14 15.194 -8.928 10.024 1.00 0.00 C ATOM 74 C TYR A 14 15.175 -7.440 9.683 1.00 0.00 C ATOM 75 O TYR A 14 14.101 -6.848 9.506 1.00 0.00 O ATOM 76 CB TYR A 14 14.501 -9.771 8.926 1.00 0.00 C ATOM 77 CG TYR A 14 14.684 -11.285 9.125 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.797 -12.029 9.906 1.00 0.00 C ATOM 79 CD2 TYR A 14 15.757 -11.967 8.543 1.00 0.00 C ATOM 80 CE1 TYR A 14 13.977 -13.386 10.100 1.00 0.00 C ATOM 81 CE2 TYR A 14 15.939 -13.325 8.737 1.00 0.00 C ATOM 82 CZ TYR A 14 15.044 -14.031 9.512 1.00 0.00 C ATOM 83 OH TYR A 14 15.216 -15.388 9.697 1.00 0.00 O ATOM 0 H TYR A 14 13.515 -9.123 11.268 1.00 0.00 H new ATOM 0 HA TYR A 14 16.227 -9.273 10.078 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.436 -9.538 8.915 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.900 -9.487 7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.955 -11.535 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.459 -11.422 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.282 -13.941 10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.779 -13.830 8.283 1.00 0.00 H new ATOM 0 HH TYR A 14 16.015 -15.685 9.214 1.00 0.00 H new ATOM 93 N ILE A 15 16.370 -6.836 9.619 1.00 0.00 N ATOM 94 CA ILE A 15 16.537 -5.384 9.504 1.00 0.00 C ATOM 95 C ILE A 15 17.282 -5.072 8.201 1.00 0.00 C ATOM 96 O ILE A 15 18.267 -5.742 7.862 1.00 0.00 O ATOM 97 CB ILE A 15 17.327 -4.782 10.738 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.728 -5.275 12.087 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.373 -3.229 10.687 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.288 -4.904 12.300 1.00 0.00 C ATOM 0 H ILE A 15 17.253 -7.347 9.646 1.00 0.00 H new ATOM 0 HA ILE A 15 15.549 -4.923 9.495 1.00 0.00 H new ATOM 0 HB ILE A 15 18.353 -5.145 10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.822 -6.360 12.137 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.321 -4.865 12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.923 -2.853 11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.871 -2.910 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.357 -2.834 10.704 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.952 -5.287 13.264 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.186 -3.819 12.285 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.680 -5.337 11.506 1.00 0.00 H new ATOM 112 N CYS A 16 16.769 -4.080 7.467 1.00 0.00 N ATOM 113 CA CYS A 16 17.407 -3.524 6.269 1.00 0.00 C ATOM 114 C CYS A 16 18.823 -2.994 6.599 1.00 0.00 C ATOM 115 O CYS A 16 19.797 -3.391 5.943 1.00 0.00 O ATOM 116 CB CYS A 16 16.491 -2.413 5.692 1.00 0.00 C ATOM 117 SG CYS A 16 17.045 -1.641 4.142 1.00 0.00 S ATOM 0 H CYS A 16 15.881 -3.632 7.693 1.00 0.00 H new ATOM 0 HA CYS A 16 17.533 -4.302 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.500 -2.836 5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.384 -1.632 6.445 1.00 0.00 H new ATOM 122 N GLU A 17 18.901 -2.141 7.658 1.00 0.00 N ATOM 123 CA GLU A 17 20.153 -1.524 8.192 1.00 0.00 C ATOM 124 C GLU A 17 19.787 -0.371 9.150 1.00 0.00 C ATOM 125 O GLU A 17 20.202 -0.343 10.313 1.00 0.00 O ATOM 126 CB GLU A 17 21.083 -0.973 7.059 1.00 0.00 C ATOM 127 CG GLU A 17 22.294 -0.145 7.526 1.00 0.00 C ATOM 128 CD GLU A 17 23.131 0.391 6.353 1.00 0.00 C ATOM 129 OE1 GLU A 17 22.648 1.297 5.635 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.271 -0.081 6.141 1.00 0.00 O ATOM 0 H GLU A 17 18.073 -1.854 8.180 1.00 0.00 H new ATOM 0 HA GLU A 17 20.702 -2.306 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.448 -1.817 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.482 -0.357 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.946 0.692 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.925 -0.761 8.167 1.00 0.00 H new ATOM 137 N TYR A 18 18.973 0.552 8.626 1.00 0.00 N ATOM 138 CA TYR A 18 18.669 1.849 9.253 1.00 0.00 C ATOM 139 C TYR A 18 17.175 2.114 9.105 1.00 0.00 C ATOM 140 O TYR A 18 16.462 2.408 10.063 1.00 0.00 O ATOM 141 CB TYR A 18 19.477 2.995 8.592 1.00 0.00 C ATOM 142 CG TYR A 18 19.279 4.337 9.306 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.647 4.482 10.642 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.679 5.431 8.674 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.438 5.662 11.317 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.463 6.615 9.349 1.00 0.00 C ATOM 147 CZ TYR A 18 18.842 6.727 10.672 1.00 0.00 C ATOM 148 OH TYR A 18 18.614 7.909 11.354 1.00 0.00 O ATOM 0 H TYR A 18 18.495 0.418 7.735 1.00 0.00 H new ATOM 0 HA TYR A 18 18.949 1.813 10.306 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.536 2.738 8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.176 3.094 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.105 3.651 11.158 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.380 5.348 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.740 5.755 12.350 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.000 7.450 8.845 1.00 0.00 H new ATOM 0 HH TYR A 18 18.188 8.556 10.754 1.00 0.00 H new ATOM 158 N CYS A 19 16.725 1.982 7.854 1.00 0.00 N ATOM 159 CA CYS A 19 15.325 2.183 7.461 1.00 0.00 C ATOM 160 C CYS A 19 14.581 0.846 7.553 1.00 0.00 C ATOM 161 O CYS A 19 14.141 0.277 6.554 1.00 0.00 O ATOM 162 CB CYS A 19 15.256 2.824 6.049 1.00 0.00 C ATOM 163 SG CYS A 19 16.478 2.174 4.874 1.00 0.00 S ATOM 0 H CYS A 19 17.331 1.729 7.073 1.00 0.00 H new ATOM 0 HA CYS A 19 14.831 2.878 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.258 2.668 5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.397 3.901 6.144 1.00 0.00 H new ATOM 168 N ALA A 20 14.544 0.306 8.783 1.00 0.00 N ATOM 169 CA ALA A 20 13.711 -0.835 9.136 1.00 0.00 C ATOM 170 C ALA A 20 13.374 -0.828 10.631 1.00 0.00 C ATOM 171 O ALA A 20 14.265 -0.696 11.480 1.00 0.00 O ATOM 172 CB ALA A 20 14.375 -2.154 8.742 1.00 0.00 C ATOM 0 H ALA A 20 15.100 0.660 9.561 1.00 0.00 H new ATOM 0 HA ALA A 20 12.781 -0.746 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.727 -2.985 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.543 -2.169 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.329 -2.250 9.260 1.00 0.00 H new ATOM 178 N ARG A 21 12.074 -0.950 10.922 1.00 0.00 N ATOM 179 CA ARG A 21 11.565 -1.182 12.279 1.00 0.00 C ATOM 180 C ARG A 21 11.962 -2.622 12.691 1.00 0.00 C ATOM 181 O ARG A 21 12.935 -2.817 13.427 1.00 0.00 O ATOM 182 CB ARG A 21 10.020 -1.007 12.297 1.00 0.00 C ATOM 183 CG ARG A 21 9.484 0.236 11.553 1.00 0.00 C ATOM 184 CD ARG A 21 7.985 0.119 11.226 1.00 0.00 C ATOM 185 NE ARG A 21 7.132 0.054 12.430 1.00 0.00 N ATOM 186 CZ ARG A 21 5.911 -0.509 12.479 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.413 -1.160 11.429 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.207 -0.452 13.600 1.00 0.00 N ATOM 0 H ARG A 21 11.339 -0.890 10.217 1.00 0.00 H new ATOM 0 HA ARG A 21 11.990 -0.466 12.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.566 -1.896 11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.689 -0.959 13.334 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.652 1.123 12.164 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.046 0.374 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.684 0.974 10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.820 -0.773 10.622 1.00 0.00 H new ATOM 0 HE ARG A 21 7.496 0.467 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.959 -1.237 10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.486 -1.581 11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.591 0.017 14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.281 -0.877 13.643 1.00 0.00 H new ATOM 202 N ALA A 22 11.190 -3.616 12.198 1.00 0.00 N ATOM 203 CA ALA A 22 11.584 -5.037 12.173 1.00 0.00 C ATOM 204 C ALA A 22 10.652 -5.785 11.220 1.00 0.00 C ATOM 205 O ALA A 22 9.458 -5.480 11.148 1.00 0.00 O ATOM 206 CB ALA A 22 11.552 -5.665 13.582 1.00 0.00 C ATOM 0 H ALA A 22 10.265 -3.449 11.802 1.00 0.00 H new ATOM 0 HA ALA A 22 12.613 -5.114 11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.849 -6.712 13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.242 -5.130 14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.543 -5.597 13.988 1.00 0.00 H new ATOM 212 N PHE A 23 11.215 -6.722 10.452 1.00 0.00 N ATOM 213 CA PHE A 23 10.455 -7.601 9.546 1.00 0.00 C ATOM 214 C PHE A 23 10.604 -9.053 10.016 1.00 0.00 C ATOM 215 O PHE A 23 11.650 -9.431 10.551 1.00 0.00 O ATOM 216 CB PHE A 23 10.959 -7.429 8.090 1.00 0.00 C ATOM 217 CG PHE A 23 10.761 -6.016 7.526 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.724 -5.021 7.718 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.617 -5.683 6.802 1.00 0.00 C ATOM 220 CE1 PHE A 23 11.544 -3.751 7.203 1.00 0.00 C ATOM 221 CE2 PHE A 23 9.442 -4.414 6.291 1.00 0.00 C ATOM 222 CZ PHE A 23 10.406 -3.449 6.491 1.00 0.00 C ATOM 0 H PHE A 23 12.220 -6.897 10.438 1.00 0.00 H new ATOM 0 HA PHE A 23 9.399 -7.332 9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.019 -7.680 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.439 -8.141 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.620 -5.248 8.276 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.855 -6.431 6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.298 -2.994 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.548 -4.176 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.268 -2.456 6.089 1.00 0.00 H new ATOM 232 N LYS A 24 9.541 -9.854 9.855 1.00 0.00 N ATOM 233 CA LYS A 24 9.533 -11.270 10.277 1.00 0.00 C ATOM 234 C LYS A 24 10.270 -12.180 9.268 1.00 0.00 C ATOM 235 O LYS A 24 10.519 -13.359 9.558 1.00 0.00 O ATOM 236 CB LYS A 24 8.065 -11.743 10.491 1.00 0.00 C ATOM 237 CG LYS A 24 7.206 -10.906 11.496 1.00 0.00 C ATOM 238 CD LYS A 24 7.641 -11.014 12.993 1.00 0.00 C ATOM 239 CE LYS A 24 8.806 -10.080 13.401 1.00 0.00 C ATOM 240 NZ LYS A 24 9.104 -10.167 14.851 1.00 0.00 N ATOM 0 H LYS A 24 8.666 -9.545 9.432 1.00 0.00 H new ATOM 0 HA LYS A 24 10.075 -11.347 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.560 -11.740 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.086 -12.776 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.245 -9.858 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.166 -11.223 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.780 -10.794 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.931 -12.044 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.697 -10.342 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.554 -9.051 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.771 -9.304 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.620 -10.994 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.130 -10.264 14.989 1.00 0.00 H new ATOM 254 N SER A 25 10.633 -11.630 8.090 1.00 0.00 N ATOM 255 CA SER A 25 11.357 -12.370 7.040 1.00 0.00 C ATOM 256 C SER A 25 12.307 -11.434 6.268 1.00 0.00 C ATOM 257 O SER A 25 12.040 -10.230 6.127 1.00 0.00 O ATOM 258 CB SER A 25 10.355 -13.050 6.077 1.00 0.00 C ATOM 259 OG SER A 25 9.551 -14.003 6.756 1.00 0.00 O ATOM 0 H SER A 25 10.432 -10.661 7.842 1.00 0.00 H new ATOM 0 HA SER A 25 11.960 -13.144 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.717 -12.294 5.619 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.899 -13.540 5.269 1.00 0.00 H new ATOM 0 HG SER A 25 8.927 -14.415 6.123 1.00 0.00 H new ATOM 265 N SER A 26 13.441 -12.006 5.826 1.00 0.00 N ATOM 266 CA SER A 26 14.454 -11.308 5.000 1.00 0.00 C ATOM 267 C SER A 26 13.874 -10.854 3.640 1.00 0.00 C ATOM 268 O SER A 26 14.269 -9.813 3.102 1.00 0.00 O ATOM 269 CB SER A 26 15.680 -12.234 4.785 1.00 0.00 C ATOM 270 OG SER A 26 16.741 -11.559 4.125 1.00 0.00 O ATOM 0 H SER A 26 13.686 -12.974 6.032 1.00 0.00 H new ATOM 0 HA SER A 26 14.765 -10.410 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.029 -12.605 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.381 -13.103 4.198 1.00 0.00 H new ATOM 0 HG SER A 26 17.496 -12.172 4.008 1.00 0.00 H new ATOM 276 N HIS A 27 12.953 -11.654 3.082 1.00 0.00 N ATOM 277 CA HIS A 27 12.268 -11.311 1.818 1.00 0.00 C ATOM 278 C HIS A 27 11.240 -10.183 2.053 1.00 0.00 C ATOM 279 O HIS A 27 10.964 -9.382 1.155 1.00 0.00 O ATOM 280 CB HIS A 27 11.588 -12.539 1.179 1.00 0.00 C ATOM 281 CG HIS A 27 11.223 -12.339 -0.273 1.00 0.00 C ATOM 282 ND1 HIS A 27 10.246 -11.462 -0.702 1.00 0.00 N ATOM 283 CD2 HIS A 27 11.763 -12.860 -1.393 1.00 0.00 C ATOM 284 CE1 HIS A 27 10.210 -11.450 -2.016 1.00 0.00 C ATOM 285 NE2 HIS A 27 11.119 -12.290 -2.461 1.00 0.00 N ATOM 0 H HIS A 27 12.662 -12.545 3.484 1.00 0.00 H new ATOM 0 HA HIS A 27 13.027 -10.960 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 27 12.254 -13.398 1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.686 -12.779 1.742 1.00 0.00 H new ATOM 0 HD1 HIS A 27 9.644 -10.908 -0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.556 -13.591 -1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.548 -10.853 -2.625 1.00 0.00 H new ATOM 294 N ASN A 28 10.623 -10.189 3.244 1.00 0.00 N ATOM 295 CA ASN A 28 9.659 -9.147 3.673 1.00 0.00 C ATOM 296 C ASN A 28 10.319 -7.750 3.688 1.00 0.00 C ATOM 297 O ASN A 28 9.710 -6.763 3.270 1.00 0.00 O ATOM 298 CB ASN A 28 9.125 -9.483 5.086 1.00 0.00 C ATOM 299 CG ASN A 28 7.925 -8.644 5.547 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.777 -8.377 6.735 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.041 -8.241 4.631 1.00 0.00 N ATOM 0 H ASN A 28 10.774 -10.916 3.944 1.00 0.00 H new ATOM 0 HA ASN A 28 8.835 -9.129 2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.843 -10.536 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.935 -9.354 5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.224 -7.700 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.183 -8.474 3.648 1.00 0.00 H new ATOM 308 N LEU A 29 11.560 -7.693 4.207 1.00 0.00 N ATOM 309 CA LEU A 29 12.384 -6.462 4.207 1.00 0.00 C ATOM 310 C LEU A 29 12.748 -6.074 2.765 1.00 0.00 C ATOM 311 O LEU A 29 12.847 -4.886 2.445 1.00 0.00 O ATOM 312 CB LEU A 29 13.635 -6.657 5.150 1.00 0.00 C ATOM 313 CG LEU A 29 15.025 -7.098 4.542 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.813 -5.943 3.856 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.901 -7.796 5.608 1.00 0.00 C ATOM 0 H LEU A 29 12.021 -8.494 4.638 1.00 0.00 H new ATOM 0 HA LEU A 29 11.819 -5.623 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.795 -5.715 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.361 -7.397 5.902 1.00 0.00 H new ATOM 0 HG LEU A 29 14.785 -7.808 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.755 -6.327 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.220 -5.534 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.016 -5.158 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.852 -8.089 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.084 -7.110 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.386 -8.682 5.979 1.00 0.00 H new ATOM 327 N ALA A 30 12.951 -7.101 1.912 1.00 0.00 N ATOM 328 CA ALA A 30 13.235 -6.921 0.469 1.00 0.00 C ATOM 329 C ALA A 30 12.077 -6.200 -0.275 1.00 0.00 C ATOM 330 O ALA A 30 12.302 -5.534 -1.293 1.00 0.00 O ATOM 331 CB ALA A 30 13.587 -8.257 -0.203 1.00 0.00 C ATOM 0 H ALA A 30 12.923 -8.078 2.203 1.00 0.00 H new ATOM 0 HA ALA A 30 14.107 -6.271 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.790 -8.090 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.471 -8.682 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.751 -8.948 -0.099 1.00 0.00 H new ATOM 337 N VAL A 31 10.843 -6.355 0.241 1.00 0.00 N ATOM 338 CA VAL A 31 9.655 -5.615 -0.254 1.00 0.00 C ATOM 339 C VAL A 31 9.822 -4.084 -0.036 1.00 0.00 C ATOM 340 O VAL A 31 9.630 -3.293 -0.971 1.00 0.00 O ATOM 341 CB VAL A 31 8.344 -6.134 0.439 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.110 -5.292 0.048 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.126 -7.636 0.128 1.00 0.00 C ATOM 0 H VAL A 31 10.637 -6.993 1.010 1.00 0.00 H new ATOM 0 HA VAL A 31 9.569 -5.797 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 31 8.471 -6.021 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.227 -5.686 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.266 -4.256 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.965 -5.338 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.214 -7.980 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.036 -7.775 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.974 -8.211 0.499 1.00 0.00 H new ATOM 353 N HIS A 32 10.212 -3.697 1.195 1.00 0.00 N ATOM 354 CA HIS A 32 10.540 -2.288 1.553 1.00 0.00 C ATOM 355 C HIS A 32 11.751 -1.803 0.727 1.00 0.00 C ATOM 356 O HIS A 32 11.844 -0.631 0.349 1.00 0.00 O ATOM 357 CB HIS A 32 10.827 -2.163 3.100 1.00 0.00 C ATOM 358 CG HIS A 32 11.897 -1.147 3.456 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.683 0.208 3.520 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.236 -1.320 3.628 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.865 0.805 3.709 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.846 -0.079 3.779 1.00 0.00 N ATOM 0 H HIS A 32 10.311 -4.347 1.975 1.00 0.00 H new ATOM 0 HA HIS A 32 9.684 -1.655 1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.902 -1.892 3.609 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.127 -3.139 3.482 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.781 0.677 3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.745 -2.272 3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.001 1.873 3.794 1.00 0.00 H new ATOM 370 N ARG A 33 12.671 -2.742 0.481 1.00 0.00 N ATOM 371 CA ARG A 33 13.943 -2.513 -0.224 1.00 0.00 C ATOM 372 C ARG A 33 13.726 -2.135 -1.718 1.00 0.00 C ATOM 373 O ARG A 33 14.688 -1.925 -2.425 1.00 0.00 O ATOM 374 CB ARG A 33 14.805 -3.792 -0.053 1.00 0.00 C ATOM 375 CG ARG A 33 16.284 -3.728 -0.476 1.00 0.00 C ATOM 376 CD ARG A 33 16.978 -5.092 -0.308 1.00 0.00 C ATOM 377 NE ARG A 33 18.365 -5.082 -0.799 1.00 0.00 N ATOM 378 CZ ARG A 33 19.189 -6.142 -0.797 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.796 -7.303 -0.283 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.403 -6.024 -1.308 1.00 0.00 N ATOM 0 H ARG A 33 12.550 -3.711 0.774 1.00 0.00 H new ATOM 0 HA ARG A 33 14.463 -1.657 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.770 -4.080 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.330 -4.593 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.353 -3.409 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.803 -2.979 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.971 -5.373 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.411 -5.853 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 33 18.728 -4.203 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.861 -7.394 0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.429 -8.103 -0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.707 -5.133 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.035 -6.824 -1.310 1.00 0.00 H new ATOM 394 N MET A 34 12.444 -1.975 -2.155 1.00 0.00 N ATOM 395 CA MET A 34 12.039 -1.419 -3.496 1.00 0.00 C ATOM 396 C MET A 34 12.783 -0.109 -3.909 1.00 0.00 C ATOM 397 O MET A 34 12.761 0.285 -5.079 1.00 0.00 O ATOM 398 CB MET A 34 10.509 -1.152 -3.493 1.00 0.00 C ATOM 399 CG MET A 34 10.012 -0.188 -2.402 1.00 0.00 C ATOM 400 SD MET A 34 8.221 0.033 -2.431 1.00 0.00 S ATOM 401 CE MET A 34 7.964 1.036 -0.964 1.00 0.00 C ATOM 0 H MET A 34 11.642 -2.232 -1.580 1.00 0.00 H new ATOM 0 HA MET A 34 12.321 -2.172 -4.232 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.225 -0.751 -4.466 1.00 0.00 H new ATOM 0 HB3 MET A 34 9.991 -2.104 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.311 -0.566 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.496 0.780 -2.531 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.901 1.252 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.318 0.495 -0.087 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.516 1.971 -1.061 1.00 0.00 H new ATOM 411 N ILE A 35 13.431 0.526 -2.930 1.00 0.00 N ATOM 412 CA ILE A 35 14.294 1.689 -3.105 1.00 0.00 C ATOM 413 C ILE A 35 15.747 1.234 -3.478 1.00 0.00 C ATOM 414 O ILE A 35 16.307 1.716 -4.469 1.00 0.00 O ATOM 415 CB ILE A 35 14.237 2.615 -1.800 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.475 3.561 -1.676 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.019 1.794 -0.504 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.580 4.640 -2.747 1.00 0.00 C ATOM 0 H ILE A 35 13.364 0.230 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 35 13.937 2.296 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 35 13.364 3.254 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.446 4.044 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.380 2.954 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.988 2.468 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.077 1.250 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.839 1.086 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.472 5.242 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.646 4.172 -3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.698 5.279 -2.708 1.00 0.00 H new ATOM 430 N HIS A 36 16.331 0.281 -2.707 1.00 0.00 N ATOM 431 CA HIS A 36 17.784 -0.089 -2.810 1.00 0.00 C ATOM 432 C HIS A 36 18.025 -1.394 -3.615 1.00 0.00 C ATOM 433 O HIS A 36 19.175 -1.721 -3.918 1.00 0.00 O ATOM 434 CB HIS A 36 18.439 -0.270 -1.384 1.00 0.00 C ATOM 435 CG HIS A 36 17.713 0.366 -0.226 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.892 1.665 0.171 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.836 -0.174 0.657 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.146 1.865 1.259 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.477 0.774 1.601 1.00 0.00 N ATOM 0 H HIS A 36 15.823 -0.252 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 36 18.249 0.742 -3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.532 -1.337 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.450 0.137 -1.418 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.489 2.356 -0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.472 -1.191 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.094 2.801 1.795 1.00 0.00 H new ATOM 447 N THR A 37 16.955 -2.145 -3.932 1.00 0.00 N ATOM 448 CA THR A 37 17.066 -3.577 -4.332 1.00 0.00 C ATOM 449 C THR A 37 17.651 -3.786 -5.741 1.00 0.00 C ATOM 450 O THR A 37 18.463 -4.699 -5.946 1.00 0.00 O ATOM 451 CB THR A 37 15.683 -4.330 -4.217 1.00 0.00 C ATOM 452 OG1 THR A 37 15.811 -5.702 -4.635 1.00 0.00 O ATOM 453 CG2 THR A 37 14.567 -3.653 -5.030 1.00 0.00 C ATOM 0 H THR A 37 15.998 -1.792 -3.922 1.00 0.00 H new ATOM 0 HA THR A 37 17.772 -4.007 -3.622 1.00 0.00 H new ATOM 0 HB THR A 37 15.401 -4.288 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.043 -5.947 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.640 -4.214 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.422 -2.634 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.847 -3.630 -6.083 1.00 0.00 H new ATOM 461 N GLY A 38 17.223 -2.959 -6.715 1.00 0.00 N ATOM 462 CA GLY A 38 17.459 -3.236 -8.139 1.00 0.00 C ATOM 463 C GLY A 38 16.434 -4.218 -8.739 1.00 0.00 C ATOM 464 O GLY A 38 16.115 -4.139 -9.933 1.00 0.00 O ATOM 0 H GLY A 38 16.712 -2.094 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.426 -2.300 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.462 -3.645 -8.263 1.00 0.00 H new ATOM 468 N GLU A 39 15.909 -5.132 -7.900 1.00 0.00 N ATOM 469 CA GLU A 39 14.909 -6.142 -8.268 1.00 0.00 C ATOM 470 C GLU A 39 13.568 -5.735 -7.638 1.00 0.00 C ATOM 471 O GLU A 39 13.209 -6.220 -6.554 1.00 0.00 O ATOM 472 CB GLU A 39 15.364 -7.533 -7.732 1.00 0.00 C ATOM 473 CG GLU A 39 16.801 -7.928 -8.109 1.00 0.00 C ATOM 474 CD GLU A 39 17.275 -9.196 -7.380 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.922 -10.312 -7.827 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.980 -9.081 -6.348 1.00 0.00 O ATOM 0 H GLU A 39 16.180 -5.186 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 39 14.801 -6.207 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.274 -7.536 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.681 -8.294 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.859 -8.089 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 17.474 -7.104 -7.873 1.00 0.00 H new ATOM 483 N LYS A 40 12.899 -4.753 -8.267 1.00 0.00 N ATOM 484 CA LYS A 40 11.597 -4.200 -7.797 1.00 0.00 C ATOM 485 C LYS A 40 10.565 -5.324 -7.476 1.00 0.00 C ATOM 486 O LYS A 40 10.431 -6.278 -8.259 1.00 0.00 O ATOM 487 CB LYS A 40 11.032 -3.206 -8.855 1.00 0.00 C ATOM 488 CG LYS A 40 10.794 -3.826 -10.252 1.00 0.00 C ATOM 489 CD LYS A 40 10.464 -2.776 -11.342 1.00 0.00 C ATOM 490 CE LYS A 40 11.619 -1.787 -11.608 1.00 0.00 C ATOM 491 NZ LYS A 40 12.856 -2.475 -12.074 1.00 0.00 N ATOM 0 H LYS A 40 13.240 -4.312 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 40 11.776 -3.664 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.090 -2.799 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.724 -2.369 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.682 -4.382 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.975 -4.543 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.216 -3.292 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.578 -2.217 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.306 -1.060 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.836 -1.232 -10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.570 -1.766 -12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.228 -3.075 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.634 -3.065 -12.901 1.00 0.00 H new ATOM 505 N PRO A 41 9.854 -5.262 -6.292 1.00 0.00 N ATOM 506 CA PRO A 41 8.864 -6.291 -5.898 1.00 0.00 C ATOM 507 C PRO A 41 7.596 -6.217 -6.768 1.00 0.00 C ATOM 508 O PRO A 41 7.490 -5.381 -7.674 1.00 0.00 O ATOM 509 CB PRO A 41 8.584 -5.969 -4.403 1.00 0.00 C ATOM 510 CG PRO A 41 8.795 -4.494 -4.311 1.00 0.00 C ATOM 511 CD PRO A 41 9.946 -4.192 -5.263 1.00 0.00 C ATOM 0 HA PRO A 41 9.224 -7.310 -6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.569 -6.247 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.261 -6.512 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.895 -3.949 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.039 -4.194 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.847 -3.202 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.906 -4.215 -4.748 1.00 0.00 H new ATOM 519 N LEU A 42 6.638 -7.087 -6.467 1.00 0.00 N ATOM 520 CA LEU A 42 5.460 -7.304 -7.299 1.00 0.00 C ATOM 521 C LEU A 42 4.283 -6.567 -6.650 1.00 0.00 C ATOM 522 O LEU A 42 3.589 -7.110 -5.786 1.00 0.00 O ATOM 523 CB LEU A 42 5.192 -8.835 -7.461 1.00 0.00 C ATOM 524 CG LEU A 42 6.371 -9.692 -8.058 1.00 0.00 C ATOM 525 CD1 LEU A 42 7.492 -9.960 -7.020 1.00 0.00 C ATOM 526 CD2 LEU A 42 5.858 -11.011 -8.682 1.00 0.00 C ATOM 0 H LEU A 42 6.658 -7.668 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 42 5.609 -6.909 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.934 -9.242 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.318 -8.963 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 42 6.814 -9.096 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.281 -10.554 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.906 -9.011 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.079 -10.503 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.700 -11.575 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.355 -11.604 -7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.157 -10.785 -9.485 1.00 0.00 H new ATOM 538 N GLN A 43 4.103 -5.294 -7.043 1.00 0.00 N ATOM 539 CA GLN A 43 3.133 -4.380 -6.419 1.00 0.00 C ATOM 540 C GLN A 43 2.136 -3.871 -7.467 1.00 0.00 C ATOM 541 O GLN A 43 2.498 -3.621 -8.621 1.00 0.00 O ATOM 542 CB GLN A 43 3.858 -3.174 -5.755 1.00 0.00 C ATOM 543 CG GLN A 43 2.920 -2.158 -5.051 1.00 0.00 C ATOM 544 CD GLN A 43 3.648 -0.966 -4.425 1.00 0.00 C ATOM 545 OE1 GLN A 43 4.798 -1.073 -3.990 1.00 0.00 O ATOM 546 NE2 GLN A 43 2.979 0.185 -4.372 1.00 0.00 N ATOM 0 H GLN A 43 4.629 -4.869 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 43 2.595 -4.931 -5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.572 -3.555 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.432 -2.649 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.194 -1.787 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.359 -2.676 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.029 0.240 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.416 1.011 -3.963 1.00 0.00 H new ATOM 555 N CYS A 44 0.884 -3.728 -7.028 1.00 0.00 N ATOM 556 CA CYS A 44 -0.202 -3.151 -7.806 1.00 0.00 C ATOM 557 C CYS A 44 0.031 -1.646 -7.984 1.00 0.00 C ATOM 558 O CYS A 44 -0.108 -0.874 -7.027 1.00 0.00 O ATOM 559 CB CYS A 44 -1.540 -3.394 -7.090 1.00 0.00 C ATOM 560 SG CYS A 44 -2.994 -2.662 -7.908 1.00 0.00 S ATOM 0 H CYS A 44 0.595 -4.020 -6.095 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.233 -3.625 -8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.696 -4.469 -6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.471 -2.994 -6.078 1.00 0.00 H new ATOM 565 N GLU A 45 0.386 -1.242 -9.213 1.00 0.00 N ATOM 566 CA GLU A 45 0.650 0.163 -9.569 1.00 0.00 C ATOM 567 C GLU A 45 -0.654 0.782 -10.122 1.00 0.00 C ATOM 568 O GLU A 45 -0.697 1.422 -11.181 1.00 0.00 O ATOM 569 CB GLU A 45 1.825 0.230 -10.588 1.00 0.00 C ATOM 570 CG GLU A 45 2.377 1.651 -10.853 1.00 0.00 C ATOM 571 CD GLU A 45 3.510 1.685 -11.891 1.00 0.00 C ATOM 572 OE1 GLU A 45 3.219 1.681 -13.107 1.00 0.00 O ATOM 573 OE2 GLU A 45 4.699 1.714 -11.493 1.00 0.00 O ATOM 0 H GLU A 45 0.499 -1.886 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 45 0.954 0.741 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.638 -0.398 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.491 -0.197 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.563 2.291 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.741 2.071 -9.916 1.00 0.00 H new ATOM 580 N ILE A 46 -1.727 0.547 -9.357 1.00 0.00 N ATOM 581 CA ILE A 46 -3.086 1.044 -9.609 1.00 0.00 C ATOM 582 C ILE A 46 -3.576 1.778 -8.328 1.00 0.00 C ATOM 583 O ILE A 46 -4.535 2.553 -8.362 1.00 0.00 O ATOM 584 CB ILE A 46 -4.065 -0.160 -9.923 1.00 0.00 C ATOM 585 CG1 ILE A 46 -3.553 -1.032 -11.117 1.00 0.00 C ATOM 586 CG2 ILE A 46 -5.515 0.324 -10.174 1.00 0.00 C ATOM 587 CD1 ILE A 46 -3.390 -0.289 -12.433 1.00 0.00 C ATOM 0 H ILE A 46 -1.670 -0.018 -8.510 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.077 1.718 -10.466 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.077 -0.791 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.593 -1.469 -10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.248 -1.858 -11.268 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.153 -0.534 -10.386 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.884 0.841 -9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.529 1.005 -11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.031 -0.978 -13.198 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.351 0.124 -12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.671 0.520 -12.307 1.00 0.00 H new ATOM 599 N CYS A 47 -2.797 1.632 -7.237 1.00 0.00 N ATOM 600 CA CYS A 47 -3.218 1.905 -5.871 1.00 0.00 C ATOM 601 C CYS A 47 -1.961 1.565 -5.054 1.00 0.00 C ATOM 602 O CYS A 47 -0.896 2.137 -5.315 1.00 0.00 O ATOM 603 CB CYS A 47 -4.531 1.110 -5.485 1.00 0.00 C ATOM 604 SG CYS A 47 -4.331 -0.638 -4.979 1.00 0.00 S ATOM 0 H CYS A 47 -1.831 1.311 -7.297 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.531 2.933 -5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.022 1.643 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.207 1.139 -6.339 1.00 0.00 H new ATOM 609 N GLY A 48 -2.053 0.676 -4.099 1.00 0.00 N ATOM 610 CA GLY A 48 -0.901 -0.040 -3.563 1.00 0.00 C ATOM 611 C GLY A 48 -1.351 -1.419 -3.087 1.00 0.00 C ATOM 612 O GLY A 48 -2.461 -1.499 -2.544 1.00 0.00 O ATOM 0 H GLY A 48 -2.937 0.418 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.130 -0.138 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.461 0.519 -2.737 1.00 0.00 H new ATOM 616 N PHE A 49 -0.543 -2.505 -3.230 1.00 0.00 N ATOM 617 CA PHE A 49 -0.886 -3.864 -2.781 1.00 0.00 C ATOM 618 C PHE A 49 0.305 -4.685 -3.234 1.00 0.00 C ATOM 619 O PHE A 49 0.491 -4.855 -4.439 1.00 0.00 O ATOM 620 CB PHE A 49 -2.196 -4.411 -3.421 1.00 0.00 C ATOM 621 CG PHE A 49 -2.512 -5.876 -3.095 1.00 0.00 C ATOM 622 CD1 PHE A 49 -3.256 -6.217 -1.972 1.00 0.00 C ATOM 623 CD2 PHE A 49 -2.057 -6.907 -3.919 1.00 0.00 C ATOM 624 CE1 PHE A 49 -3.534 -7.539 -1.680 1.00 0.00 C ATOM 625 CE2 PHE A 49 -2.333 -8.227 -3.627 1.00 0.00 C ATOM 626 CZ PHE A 49 -3.071 -8.543 -2.506 1.00 0.00 C ATOM 0 H PHE A 49 0.376 -2.449 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.074 -3.896 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.030 -3.792 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.127 -4.302 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.622 -5.439 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.479 -6.667 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.115 -7.787 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.972 -9.011 -4.275 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.287 -9.576 -2.274 1.00 0.00 H new ATOM 636 N THR A 50 1.106 -5.206 -2.315 1.00 0.00 N ATOM 637 CA THR A 50 2.366 -5.846 -2.680 1.00 0.00 C ATOM 638 C THR A 50 2.347 -7.313 -2.241 1.00 0.00 C ATOM 639 O THR A 50 1.709 -7.674 -1.244 1.00 0.00 O ATOM 640 CB THR A 50 3.597 -5.112 -2.055 1.00 0.00 C ATOM 641 OG1 THR A 50 3.389 -3.688 -2.099 1.00 0.00 O ATOM 642 CG2 THR A 50 4.911 -5.451 -2.801 1.00 0.00 C ATOM 0 H THR A 50 0.909 -5.199 -1.314 1.00 0.00 H new ATOM 0 HA THR A 50 2.468 -5.788 -3.764 1.00 0.00 H new ATOM 0 HB THR A 50 3.691 -5.452 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.162 -3.232 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.741 -4.920 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.092 -6.525 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.826 -5.147 -3.844 1.00 0.00 H new ATOM 650 N CYS A 51 3.034 -8.135 -3.016 1.00 0.00 N ATOM 651 CA CYS A 51 3.191 -9.572 -2.770 1.00 0.00 C ATOM 652 C CYS A 51 4.512 -10.074 -3.374 1.00 0.00 C ATOM 653 O CYS A 51 5.196 -9.346 -4.108 1.00 0.00 O ATOM 654 CB CYS A 51 1.998 -10.354 -3.370 1.00 0.00 C ATOM 655 SG CYS A 51 0.395 -9.994 -2.608 1.00 0.00 S ATOM 0 H CYS A 51 3.514 -7.820 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 51 3.212 -9.740 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.936 -10.133 -4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.197 -11.422 -3.277 1.00 0.00 H new ATOM 0 HG CYS A 51 0.498 -8.936 -1.860 1.00 0.00 H new ATOM 661 N ARG A 52 4.878 -11.316 -3.020 1.00 0.00 N ATOM 662 CA ARG A 52 5.987 -12.046 -3.651 1.00 0.00 C ATOM 663 C ARG A 52 5.496 -12.744 -4.935 1.00 0.00 C ATOM 664 O ARG A 52 6.221 -12.820 -5.926 1.00 0.00 O ATOM 665 CB ARG A 52 6.576 -13.095 -2.666 1.00 0.00 C ATOM 666 CG ARG A 52 7.782 -13.883 -3.235 1.00 0.00 C ATOM 667 CD ARG A 52 8.377 -14.909 -2.260 1.00 0.00 C ATOM 668 NE ARG A 52 9.638 -15.459 -2.787 1.00 0.00 N ATOM 669 CZ ARG A 52 10.578 -16.078 -2.071 1.00 0.00 C ATOM 670 NH1 ARG A 52 10.382 -16.355 -0.786 1.00 0.00 N ATOM 671 NH2 ARG A 52 11.710 -16.426 -2.651 1.00 0.00 N ATOM 0 H ARG A 52 4.410 -11.844 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 52 6.770 -11.334 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.885 -12.587 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.792 -13.800 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.469 -14.399 -4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.561 -13.177 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.556 -14.438 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.664 -15.716 -2.094 1.00 0.00 H new ATOM 0 HE ARG A 52 9.807 -15.358 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.505 -16.094 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.109 -16.829 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.861 -16.221 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.435 -16.900 -2.112 1.00 0.00 H new ATOM 685 N GLN A 53 4.249 -13.240 -4.893 1.00 0.00 N ATOM 686 CA GLN A 53 3.661 -14.049 -5.972 1.00 0.00 C ATOM 687 C GLN A 53 2.901 -13.130 -6.939 1.00 0.00 C ATOM 688 O GLN A 53 2.093 -12.304 -6.499 1.00 0.00 O ATOM 689 CB GLN A 53 2.709 -15.131 -5.385 1.00 0.00 C ATOM 690 CG GLN A 53 3.279 -15.943 -4.195 1.00 0.00 C ATOM 691 CD GLN A 53 4.614 -16.653 -4.475 1.00 0.00 C ATOM 692 OE1 GLN A 53 4.909 -17.046 -5.601 1.00 0.00 O ATOM 693 NE2 GLN A 53 5.429 -16.829 -3.442 1.00 0.00 N ATOM 0 H GLN A 53 3.618 -13.090 -4.106 1.00 0.00 H new ATOM 0 HA GLN A 53 4.457 -14.559 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.788 -14.644 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.441 -15.825 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.412 -15.272 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.543 -16.690 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.160 -16.493 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.324 -17.300 -3.573 1.00 0.00 H new ATOM 702 N LYS A 54 3.176 -13.277 -8.248 1.00 0.00 N ATOM 703 CA LYS A 54 2.554 -12.458 -9.315 1.00 0.00 C ATOM 704 C LYS A 54 1.031 -12.666 -9.331 1.00 0.00 C ATOM 705 O LYS A 54 0.280 -11.705 -9.483 1.00 0.00 O ATOM 706 CB LYS A 54 3.190 -12.789 -10.704 1.00 0.00 C ATOM 707 CG LYS A 54 3.096 -11.675 -11.796 1.00 0.00 C ATOM 708 CD LYS A 54 1.682 -11.468 -12.400 1.00 0.00 C ATOM 709 CE LYS A 54 1.135 -12.717 -13.126 1.00 0.00 C ATOM 710 NZ LYS A 54 1.996 -13.131 -14.268 1.00 0.00 N ATOM 0 H LYS A 54 3.838 -13.968 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 54 2.746 -11.406 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.242 -13.028 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.713 -13.689 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.431 -10.733 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.787 -11.918 -12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.992 -11.189 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.713 -10.634 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.056 -13.541 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.128 -12.511 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.562 -13.941 -14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.093 -12.339 -14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.935 -13.403 -13.914 1.00 0.00 H new ATOM 724 N ALA A 55 0.603 -13.928 -9.161 1.00 0.00 N ATOM 725 CA ALA A 55 -0.824 -14.313 -9.126 1.00 0.00 C ATOM 726 C ALA A 55 -1.631 -13.482 -8.099 1.00 0.00 C ATOM 727 O ALA A 55 -2.722 -13.001 -8.413 1.00 0.00 O ATOM 728 CB ALA A 55 -0.951 -15.818 -8.832 1.00 0.00 C ATOM 0 H ALA A 55 1.239 -14.717 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.250 -14.100 -10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.005 -16.096 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.444 -16.385 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.494 -16.040 -7.867 1.00 0.00 H new ATOM 734 N SER A 56 -1.044 -13.284 -6.907 1.00 0.00 N ATOM 735 CA SER A 56 -1.684 -12.560 -5.787 1.00 0.00 C ATOM 736 C SER A 56 -2.223 -11.165 -6.213 1.00 0.00 C ATOM 737 O SER A 56 -3.408 -10.860 -6.004 1.00 0.00 O ATOM 738 CB SER A 56 -0.690 -12.434 -4.623 1.00 0.00 C ATOM 739 OG SER A 56 -0.180 -13.709 -4.230 1.00 0.00 O ATOM 0 H SER A 56 -0.107 -13.622 -6.688 1.00 0.00 H new ATOM 0 HA SER A 56 -2.550 -13.138 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.135 -11.786 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.181 -11.960 -3.773 1.00 0.00 H new ATOM 0 HG SER A 56 0.451 -13.595 -3.489 1.00 0.00 H new ATOM 745 N LEU A 57 -1.348 -10.332 -6.822 1.00 0.00 N ATOM 746 CA LEU A 57 -1.751 -9.032 -7.373 1.00 0.00 C ATOM 747 C LEU A 57 -2.488 -9.186 -8.726 1.00 0.00 C ATOM 748 O LEU A 57 -3.306 -8.344 -9.063 1.00 0.00 O ATOM 749 CB LEU A 57 -0.566 -8.019 -7.494 1.00 0.00 C ATOM 750 CG LEU A 57 0.638 -8.413 -8.415 1.00 0.00 C ATOM 751 CD1 LEU A 57 1.356 -7.158 -8.968 1.00 0.00 C ATOM 752 CD2 LEU A 57 1.642 -9.317 -7.673 1.00 0.00 C ATOM 0 H LEU A 57 -0.357 -10.544 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.449 -8.609 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.969 -7.073 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.176 -7.837 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 57 0.229 -8.974 -9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.187 -7.465 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.653 -6.564 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.735 -6.560 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.465 -9.572 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.031 -8.790 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.141 -10.230 -7.351 1.00 0.00 H new ATOM 764 N ASN A 58 -2.189 -10.249 -9.506 1.00 0.00 N ATOM 765 CA ASN A 58 -2.831 -10.491 -10.835 1.00 0.00 C ATOM 766 C ASN A 58 -4.350 -10.688 -10.718 1.00 0.00 C ATOM 767 O ASN A 58 -5.105 -10.341 -11.631 1.00 0.00 O ATOM 768 CB ASN A 58 -2.206 -11.722 -11.546 1.00 0.00 C ATOM 769 CG ASN A 58 -2.685 -11.915 -12.998 1.00 0.00 C ATOM 770 OD1 ASN A 58 -2.878 -10.946 -13.730 1.00 0.00 O ATOM 771 ND2 ASN A 58 -2.919 -13.159 -13.408 1.00 0.00 N ATOM 0 H ASN A 58 -1.506 -10.960 -9.244 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.646 -9.598 -11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.121 -11.619 -11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.443 -12.619 -10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.268 -13.328 -14.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.750 -13.944 -12.779 1.00 0.00 H new ATOM 778 N TRP A 59 -4.785 -11.242 -9.588 1.00 0.00 N ATOM 779 CA TRP A 59 -6.215 -11.404 -9.295 1.00 0.00 C ATOM 780 C TRP A 59 -6.764 -10.064 -8.800 1.00 0.00 C ATOM 781 O TRP A 59 -7.802 -9.609 -9.262 1.00 0.00 O ATOM 782 CB TRP A 59 -6.465 -12.535 -8.262 1.00 0.00 C ATOM 783 CG TRP A 59 -6.168 -13.932 -8.786 1.00 0.00 C ATOM 784 CD1 TRP A 59 -5.101 -14.733 -8.480 1.00 0.00 C ATOM 785 CD2 TRP A 59 -6.969 -14.684 -9.708 1.00 0.00 C ATOM 786 NE1 TRP A 59 -5.187 -15.920 -9.155 1.00 0.00 N ATOM 787 CE2 TRP A 59 -6.320 -15.913 -9.921 1.00 0.00 C ATOM 788 CE3 TRP A 59 -8.162 -14.426 -10.393 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.843 -16.893 -10.762 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -8.676 -15.398 -11.225 1.00 0.00 C ATOM 791 CH2 TRP A 59 -8.011 -16.614 -11.412 1.00 0.00 C ATOM 0 H TRP A 59 -4.167 -11.589 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 59 -6.738 -11.700 -10.204 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.850 -12.351 -7.381 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.505 -12.493 -7.939 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.304 -14.466 -7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.515 -16.686 -9.096 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.671 -13.481 -10.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.342 -17.840 -10.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.608 -15.217 -11.741 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.430 -17.348 -12.085 1.00 0.00 H new ATOM 802 N HIS A 60 -6.057 -9.463 -7.824 1.00 0.00 N ATOM 803 CA HIS A 60 -6.346 -8.109 -7.304 1.00 0.00 C ATOM 804 C HIS A 60 -6.530 -6.989 -8.385 1.00 0.00 C ATOM 805 O HIS A 60 -7.344 -6.079 -8.176 1.00 0.00 O ATOM 806 CB HIS A 60 -5.248 -7.725 -6.283 1.00 0.00 C ATOM 807 CG HIS A 60 -5.345 -6.322 -5.773 1.00 0.00 C ATOM 808 ND1 HIS A 60 -6.392 -5.816 -5.046 1.00 0.00 N ATOM 809 CD2 HIS A 60 -4.532 -5.290 -6.015 1.00 0.00 C ATOM 810 CE1 HIS A 60 -6.178 -4.503 -4.903 1.00 0.00 C ATOM 811 NE2 HIS A 60 -5.052 -4.124 -5.489 1.00 0.00 N ATOM 0 H HIS A 60 -5.260 -9.907 -7.368 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.325 -8.168 -6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.299 -8.411 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.272 -7.864 -6.748 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -7.186 -6.343 -4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.596 -5.358 -6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.842 -3.834 -4.375 1.00 0.00 H new ATOM 819 N MET A 61 -5.767 -7.008 -9.499 1.00 0.00 N ATOM 820 CA MET A 61 -5.944 -6.003 -10.585 1.00 0.00 C ATOM 821 C MET A 61 -7.261 -6.257 -11.338 1.00 0.00 C ATOM 822 O MET A 61 -7.931 -5.313 -11.775 1.00 0.00 O ATOM 823 CB MET A 61 -4.722 -5.933 -11.566 1.00 0.00 C ATOM 824 CG MET A 61 -4.328 -7.239 -12.285 1.00 0.00 C ATOM 825 SD MET A 61 -5.512 -7.799 -13.533 1.00 0.00 S ATOM 826 CE MET A 61 -5.520 -6.432 -14.694 1.00 0.00 C ATOM 0 H MET A 61 -5.033 -7.694 -9.675 1.00 0.00 H new ATOM 0 HA MET A 61 -5.995 -5.024 -10.109 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.939 -5.181 -12.324 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.857 -5.580 -11.005 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.358 -7.098 -12.761 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.206 -8.026 -11.540 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.521 -6.820 -15.713 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.412 -5.825 -14.536 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.632 -5.819 -14.540 1.00 0.00 H new ATOM 836 N LYS A 62 -7.613 -7.545 -11.484 1.00 0.00 N ATOM 837 CA LYS A 62 -8.914 -7.977 -12.022 1.00 0.00 C ATOM 838 C LYS A 62 -10.073 -7.607 -11.066 1.00 0.00 C ATOM 839 O LYS A 62 -11.192 -7.438 -11.506 1.00 0.00 O ATOM 840 CB LYS A 62 -8.882 -9.499 -12.339 1.00 0.00 C ATOM 841 CG LYS A 62 -10.214 -10.075 -12.881 1.00 0.00 C ATOM 842 CD LYS A 62 -10.037 -11.406 -13.641 1.00 0.00 C ATOM 843 CE LYS A 62 -9.158 -11.234 -14.890 1.00 0.00 C ATOM 844 NZ LYS A 62 -9.085 -12.464 -15.705 1.00 0.00 N ATOM 0 H LYS A 62 -7.000 -8.320 -11.231 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.099 -7.443 -12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.096 -9.688 -13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.610 -10.040 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.901 -10.228 -12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.675 -9.344 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.588 -12.146 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.014 -11.791 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.553 -10.421 -15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.152 -10.944 -14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.481 -12.295 -16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.683 -13.235 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.040 -12.729 -16.020 1.00 0.00 H new ATOM 858 N LYS A 63 -9.780 -7.531 -9.759 1.00 0.00 N ATOM 859 CA LYS A 63 -10.726 -6.983 -8.742 1.00 0.00 C ATOM 860 C LYS A 63 -11.067 -5.490 -9.008 1.00 0.00 C ATOM 861 O LYS A 63 -12.193 -5.049 -8.723 1.00 0.00 O ATOM 862 CB LYS A 63 -10.201 -7.203 -7.293 1.00 0.00 C ATOM 863 CG LYS A 63 -10.011 -8.695 -6.933 1.00 0.00 C ATOM 864 CD LYS A 63 -9.508 -8.935 -5.490 1.00 0.00 C ATOM 865 CE LYS A 63 -10.526 -8.523 -4.420 1.00 0.00 C ATOM 866 NZ LYS A 63 -11.812 -9.246 -4.570 1.00 0.00 N ATOM 0 H LYS A 63 -8.891 -7.842 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.656 -7.543 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.250 -6.684 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.900 -6.752 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.960 -9.214 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.303 -9.140 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.268 -9.991 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.584 -8.378 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.112 -8.720 -3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.704 -7.449 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.395 -9.097 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.317 -8.887 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.627 -10.263 -4.688 1.00 0.00 H new ATOM 880 N HIS A 64 -10.099 -4.723 -9.568 1.00 0.00 N ATOM 881 CA HIS A 64 -10.354 -3.335 -10.065 1.00 0.00 C ATOM 882 C HIS A 64 -11.128 -3.344 -11.401 1.00 0.00 C ATOM 883 O HIS A 64 -11.784 -2.361 -11.753 1.00 0.00 O ATOM 884 CB HIS A 64 -9.032 -2.542 -10.289 1.00 0.00 C ATOM 885 CG HIS A 64 -8.204 -2.224 -9.073 1.00 0.00 C ATOM 886 ND1 HIS A 64 -8.563 -1.294 -8.125 1.00 0.00 N ATOM 887 CD2 HIS A 64 -6.950 -2.624 -8.742 1.00 0.00 C ATOM 888 CE1 HIS A 64 -7.533 -1.143 -7.281 1.00 0.00 C ATOM 889 NE2 HIS A 64 -6.526 -1.921 -7.620 1.00 0.00 N ATOM 0 H HIS A 64 -9.136 -5.035 -9.689 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.947 -2.849 -9.290 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.411 -3.110 -10.981 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -9.281 -1.603 -10.782 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.457 -0.805 -8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.373 -3.370 -9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.529 -0.472 -6.435 1.00 0.00 H new ATOM 897 N ASP A 65 -11.052 -4.466 -12.122 1.00 0.00 N ATOM 898 CA ASP A 65 -11.640 -4.616 -13.472 1.00 0.00 C ATOM 899 C ASP A 65 -13.035 -5.268 -13.335 1.00 0.00 C ATOM 900 O ASP A 65 -13.884 -5.175 -14.231 1.00 0.00 O ATOM 901 CB ASP A 65 -10.697 -5.481 -14.360 1.00 0.00 C ATOM 902 CG ASP A 65 -11.192 -5.666 -15.814 1.00 0.00 C ATOM 903 OD1 ASP A 65 -11.112 -4.699 -16.604 1.00 0.00 O ATOM 904 OD2 ASP A 65 -11.660 -6.774 -16.171 1.00 0.00 O ATOM 0 H ASP A 65 -10.579 -5.307 -11.790 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.751 -3.643 -13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.710 -5.019 -14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.581 -6.462 -13.900 1.00 0.00 H new ATOM 909 N ALA A 66 -13.250 -5.918 -12.173 1.00 0.00 N ATOM 910 CA ALA A 66 -14.506 -6.600 -11.813 1.00 0.00 C ATOM 911 C ALA A 66 -15.559 -5.589 -11.365 1.00 0.00 C ATOM 912 O ALA A 66 -16.766 -5.891 -11.413 1.00 0.00 O ATOM 913 CB ALA A 66 -14.251 -7.636 -10.704 1.00 0.00 C ATOM 0 H ALA A 66 -12.539 -5.984 -11.445 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.882 -7.118 -12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.187 -8.132 -10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.532 -8.376 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.853 -7.134 -9.822 1.00 0.00 H new ATOM 919 N ASP A 67 -15.080 -4.403 -10.899 1.00 0.00 N ATOM 920 CA ASP A 67 -15.945 -3.280 -10.521 1.00 0.00 C ATOM 921 C ASP A 67 -16.817 -3.685 -9.310 1.00 0.00 C ATOM 922 O ASP A 67 -18.054 -3.646 -9.347 1.00 0.00 O ATOM 923 CB ASP A 67 -16.776 -2.804 -11.762 1.00 0.00 C ATOM 924 CG ASP A 67 -17.470 -1.448 -11.568 1.00 0.00 C ATOM 925 OD1 ASP A 67 -16.837 -0.402 -11.827 1.00 0.00 O ATOM 926 OD2 ASP A 67 -18.656 -1.421 -11.182 1.00 0.00 O ATOM 0 H ASP A 67 -14.085 -4.212 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.348 -2.424 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.115 -2.741 -12.626 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.530 -3.557 -11.991 1.00 0.00 H new ATOM 931 N SER A 68 -16.130 -4.149 -8.256 1.00 0.00 N ATOM 932 CA SER A 68 -16.769 -4.663 -7.036 1.00 0.00 C ATOM 933 C SER A 68 -16.942 -3.532 -6.007 1.00 0.00 C ATOM 934 O SER A 68 -18.062 -3.130 -5.699 1.00 0.00 O ATOM 935 CB SER A 68 -15.951 -5.839 -6.463 1.00 0.00 C ATOM 936 OG SER A 68 -15.821 -6.871 -7.424 1.00 0.00 O ATOM 0 H SER A 68 -15.111 -4.178 -8.226 1.00 0.00 H new ATOM 0 HA SER A 68 -17.762 -5.039 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.964 -5.489 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.439 -6.227 -5.569 1.00 0.00 H new ATOM 0 HG SER A 68 -15.298 -7.608 -7.044 1.00 0.00 H new ATOM 942 N PHE A 69 -15.806 -3.021 -5.494 1.00 0.00 N ATOM 943 CA PHE A 69 -15.771 -1.938 -4.483 1.00 0.00 C ATOM 944 C PHE A 69 -15.086 -0.679 -5.043 1.00 0.00 C ATOM 945 O PHE A 69 -14.869 0.296 -4.320 1.00 0.00 O ATOM 946 CB PHE A 69 -15.046 -2.437 -3.202 1.00 0.00 C ATOM 947 CG PHE A 69 -15.764 -3.587 -2.493 1.00 0.00 C ATOM 948 CD1 PHE A 69 -16.778 -3.332 -1.572 1.00 0.00 C ATOM 949 CD2 PHE A 69 -15.435 -4.916 -2.755 1.00 0.00 C ATOM 950 CE1 PHE A 69 -17.436 -4.371 -0.934 1.00 0.00 C ATOM 951 CE2 PHE A 69 -16.094 -5.950 -2.120 1.00 0.00 C ATOM 952 CZ PHE A 69 -17.093 -5.678 -1.209 1.00 0.00 C ATOM 0 H PHE A 69 -14.880 -3.348 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.796 -1.668 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.039 -2.759 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.941 -1.604 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -17.055 -2.311 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -14.653 -5.140 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -18.218 -4.157 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.827 -6.974 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 69 -17.606 -6.488 -0.712 1.00 0.00 H new ATOM 962 N TYR A 70 -14.768 -0.695 -6.342 1.00 0.00 N ATOM 963 CA TYR A 70 -14.052 0.407 -7.022 1.00 0.00 C ATOM 964 C TYR A 70 -14.951 0.980 -8.121 1.00 0.00 C ATOM 965 O TYR A 70 -14.467 1.509 -9.123 1.00 0.00 O ATOM 966 CB TYR A 70 -12.717 -0.128 -7.609 1.00 0.00 C ATOM 967 CG TYR A 70 -11.831 -0.814 -6.558 1.00 0.00 C ATOM 968 CD1 TYR A 70 -11.212 -0.062 -5.559 1.00 0.00 C ATOM 969 CD2 TYR A 70 -11.655 -2.200 -6.539 1.00 0.00 C ATOM 970 CE1 TYR A 70 -10.435 -0.663 -4.596 1.00 0.00 C ATOM 971 CE2 TYR A 70 -10.879 -2.805 -5.568 1.00 0.00 C ATOM 972 CZ TYR A 70 -10.279 -2.033 -4.597 1.00 0.00 C ATOM 973 OH TYR A 70 -9.514 -2.634 -3.623 1.00 0.00 O ATOM 0 H TYR A 70 -14.998 -1.473 -6.960 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.817 1.202 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.936 -0.835 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.166 0.699 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.345 1.010 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.132 -2.807 -7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.948 -0.063 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.744 -3.877 -5.570 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.506 -3.604 -3.765 1.00 0.00 H new ATOM 983 N GLN A 71 -16.268 0.928 -7.867 1.00 0.00 N ATOM 984 CA GLN A 71 -17.304 1.163 -8.885 1.00 0.00 C ATOM 985 C GLN A 71 -17.340 2.624 -9.331 1.00 0.00 C ATOM 986 O GLN A 71 -17.624 2.920 -10.493 1.00 0.00 O ATOM 987 CB GLN A 71 -18.687 0.730 -8.341 1.00 0.00 C ATOM 988 CG GLN A 71 -18.744 -0.736 -7.891 1.00 0.00 C ATOM 989 CD GLN A 71 -20.128 -1.184 -7.418 1.00 0.00 C ATOM 990 OE1 GLN A 71 -20.912 -0.393 -6.896 1.00 0.00 O ATOM 991 NE2 GLN A 71 -20.421 -2.464 -7.585 1.00 0.00 N ATOM 0 H GLN A 71 -16.647 0.720 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.056 0.562 -9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.952 1.369 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -19.438 0.893 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.429 -1.373 -8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.028 -0.886 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.744 -3.089 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -21.324 -2.825 -7.276 1.00 0.00 H new ATOM 1000 N PHE A 72 -17.029 3.535 -8.402 1.00 0.00 N ATOM 1001 CA PHE A 72 -17.069 4.971 -8.631 1.00 0.00 C ATOM 1002 C PHE A 72 -15.772 5.557 -8.073 1.00 0.00 C ATOM 1003 O PHE A 72 -15.323 5.154 -7.004 1.00 0.00 O ATOM 1004 CB PHE A 72 -18.291 5.600 -7.913 1.00 0.00 C ATOM 1005 CG PHE A 72 -19.624 4.937 -8.263 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -20.274 5.215 -9.465 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -20.214 4.013 -7.394 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -21.475 4.603 -9.779 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -21.413 3.401 -7.713 1.00 0.00 C ATOM 1010 CZ PHE A 72 -22.041 3.695 -8.905 1.00 0.00 C ATOM 0 H PHE A 72 -16.739 3.284 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.164 5.185 -9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -18.138 5.539 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -18.345 6.658 -8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -19.835 5.916 -10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -19.726 3.774 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -21.971 4.836 -10.710 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -21.857 2.693 -7.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 -22.976 3.215 -9.155 1.00 0.00 H new ATOM 1020 N SER A 73 -15.186 6.491 -8.804 1.00 0.00 N ATOM 1021 CA SER A 73 -13.930 7.142 -8.434 1.00 0.00 C ATOM 1022 C SER A 73 -13.812 8.512 -9.107 1.00 0.00 C ATOM 1023 O SER A 73 -14.544 8.819 -10.058 1.00 0.00 O ATOM 1024 CB SER A 73 -12.739 6.230 -8.811 1.00 0.00 C ATOM 1025 OG SER A 73 -12.737 5.926 -10.195 1.00 0.00 O ATOM 0 H SER A 73 -15.572 6.827 -9.686 1.00 0.00 H new ATOM 0 HA SER A 73 -13.916 7.303 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.804 6.722 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.790 5.306 -8.234 1.00 0.00 H new ATOM 0 HG SER A 73 -11.972 5.350 -10.402 1.00 0.00 H new ATOM 1031 N CYS A 74 -12.874 9.321 -8.611 1.00 0.00 N ATOM 1032 CA CYS A 74 -12.626 10.673 -9.124 1.00 0.00 C ATOM 1033 C CYS A 74 -11.481 10.600 -10.135 1.00 0.00 C ATOM 1034 O CYS A 74 -10.379 10.245 -9.775 1.00 0.00 O ATOM 1035 CB CYS A 74 -12.291 11.643 -7.961 1.00 0.00 C ATOM 1036 SG CYS A 74 -11.868 13.343 -8.478 1.00 0.00 S ATOM 0 H CYS A 74 -12.262 9.057 -7.839 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.519 11.059 -9.616 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.145 11.686 -7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.456 11.233 -7.394 1.00 0.00 H new ATOM 1041 N ASN A 75 -11.744 10.917 -11.406 1.00 0.00 N ATOM 1042 CA ASN A 75 -10.703 10.913 -12.466 1.00 0.00 C ATOM 1043 C ASN A 75 -9.564 11.925 -12.153 1.00 0.00 C ATOM 1044 O ASN A 75 -8.474 11.832 -12.715 1.00 0.00 O ATOM 1045 CB ASN A 75 -11.350 11.220 -13.848 1.00 0.00 C ATOM 1046 CG ASN A 75 -10.391 11.186 -15.052 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -10.533 11.969 -15.989 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -9.418 10.273 -15.056 1.00 0.00 N ATOM 0 H ASN A 75 -12.671 11.183 -11.738 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.255 9.920 -12.497 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.150 10.501 -14.023 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.812 12.206 -13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.775 10.216 -15.846 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.317 9.632 -14.269 1.00 0.00 H new ATOM 1055 N ILE A 76 -9.819 12.857 -11.208 1.00 0.00 N ATOM 1056 CA ILE A 76 -8.867 13.917 -10.844 1.00 0.00 C ATOM 1057 C ILE A 76 -8.070 13.497 -9.585 1.00 0.00 C ATOM 1058 O ILE A 76 -6.867 13.772 -9.491 1.00 0.00 O ATOM 1059 CB ILE A 76 -9.591 15.308 -10.605 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -10.648 15.591 -11.744 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -8.557 16.457 -10.470 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -11.042 17.044 -11.966 1.00 0.00 C ATOM 0 H ILE A 76 -10.691 12.891 -10.680 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.180 14.051 -11.680 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.136 15.257 -9.662 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.252 15.199 -12.681 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.551 15.024 -11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.080 17.400 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.898 16.256 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.966 16.523 -11.383 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.772 17.104 -12.773 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.478 17.446 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.158 17.624 -12.232 1.00 0.00 H new ATOM 1074 N CYS A 77 -8.746 12.811 -8.618 1.00 0.00 N ATOM 1075 CA CYS A 77 -8.103 12.376 -7.351 1.00 0.00 C ATOM 1076 C CYS A 77 -8.909 11.229 -6.687 1.00 0.00 C ATOM 1077 O CYS A 77 -9.435 11.379 -5.581 1.00 0.00 O ATOM 1078 CB CYS A 77 -7.924 13.581 -6.387 1.00 0.00 C ATOM 1079 SG CYS A 77 -9.434 14.162 -5.530 1.00 0.00 S ATOM 0 H CYS A 77 -9.729 12.551 -8.695 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.112 11.986 -7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.185 13.310 -5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.510 14.415 -6.954 1.00 0.00 H new ATOM 1084 N GLY A 78 -9.083 10.145 -7.482 1.00 0.00 N ATOM 1085 CA GLY A 78 -9.708 8.843 -7.108 1.00 0.00 C ATOM 1086 C GLY A 78 -9.684 8.424 -5.637 1.00 0.00 C ATOM 1087 O GLY A 78 -8.909 7.550 -5.235 1.00 0.00 O ATOM 0 H GLY A 78 -8.776 10.151 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.749 8.869 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.216 8.060 -7.685 1.00 0.00 H new ATOM 1091 N LYS A 79 -10.536 9.082 -4.837 1.00 0.00 N ATOM 1092 CA LYS A 79 -10.802 8.716 -3.444 1.00 0.00 C ATOM 1093 C LYS A 79 -11.952 7.681 -3.333 1.00 0.00 C ATOM 1094 O LYS A 79 -12.203 7.153 -2.244 1.00 0.00 O ATOM 1095 CB LYS A 79 -11.104 10.034 -2.677 1.00 0.00 C ATOM 1096 CG LYS A 79 -10.759 10.038 -1.172 1.00 0.00 C ATOM 1097 CD LYS A 79 -11.918 9.585 -0.244 1.00 0.00 C ATOM 1098 CE LYS A 79 -13.153 10.506 -0.327 1.00 0.00 C ATOM 1099 NZ LYS A 79 -14.183 10.149 0.677 1.00 0.00 N ATOM 0 H LYS A 79 -11.066 9.896 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.937 8.222 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.555 10.844 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.165 10.259 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.902 9.385 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.453 11.044 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.211 8.569 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.562 9.557 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.844 11.540 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.584 10.444 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.995 10.793 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.498 9.170 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.780 10.233 1.632 1.00 0.00 H new ATOM 1113 N LYS A 80 -12.646 7.416 -4.470 1.00 0.00 N ATOM 1114 CA LYS A 80 -13.687 6.364 -4.596 1.00 0.00 C ATOM 1115 C LYS A 80 -14.931 6.743 -3.774 1.00 0.00 C ATOM 1116 O LYS A 80 -14.911 6.691 -2.544 1.00 0.00 O ATOM 1117 CB LYS A 80 -13.169 4.926 -4.226 1.00 0.00 C ATOM 1118 CG LYS A 80 -12.296 4.225 -5.298 1.00 0.00 C ATOM 1119 CD LYS A 80 -10.988 4.986 -5.604 1.00 0.00 C ATOM 1120 CE LYS A 80 -10.077 4.247 -6.593 1.00 0.00 C ATOM 1121 NZ LYS A 80 -9.688 2.901 -6.089 1.00 0.00 N ATOM 0 H LYS A 80 -12.496 7.934 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.960 6.314 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.592 4.995 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.031 4.293 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.053 3.218 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.873 4.121 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.233 5.968 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.445 5.151 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.589 4.143 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.181 4.840 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.664 2.768 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.931 2.824 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.197 2.169 -6.625 1.00 0.00 H new ATOM 1135 N PHE A 81 -16.006 7.131 -4.466 1.00 0.00 N ATOM 1136 CA PHE A 81 -17.222 7.686 -3.826 1.00 0.00 C ATOM 1137 C PHE A 81 -18.409 6.719 -3.932 1.00 0.00 C ATOM 1138 O PHE A 81 -18.352 5.727 -4.666 1.00 0.00 O ATOM 1139 CB PHE A 81 -17.558 9.064 -4.457 1.00 0.00 C ATOM 1140 CG PHE A 81 -16.516 10.149 -4.159 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -15.304 10.198 -4.856 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -16.736 11.104 -3.163 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -14.358 11.160 -4.567 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -15.784 12.063 -2.874 1.00 0.00 C ATOM 1145 CZ PHE A 81 -14.599 12.092 -3.577 1.00 0.00 C ATOM 0 H PHE A 81 -16.067 7.073 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 81 -17.024 7.823 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.649 8.947 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -18.529 9.395 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -15.106 9.473 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -17.664 11.092 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.428 11.184 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -15.969 12.790 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 81 -13.858 12.845 -3.353 1.00 0.00 H new ATOM 1155 N GLU A 82 -19.476 7.022 -3.170 1.00 0.00 N ATOM 1156 CA GLU A 82 -20.733 6.246 -3.160 1.00 0.00 C ATOM 1157 C GLU A 82 -21.401 6.195 -4.551 1.00 0.00 C ATOM 1158 O GLU A 82 -22.081 5.220 -4.884 1.00 0.00 O ATOM 1159 CB GLU A 82 -21.694 6.885 -2.119 1.00 0.00 C ATOM 1160 CG GLU A 82 -23.024 6.138 -1.896 1.00 0.00 C ATOM 1161 CD GLU A 82 -22.839 4.747 -1.256 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -22.834 4.652 -0.011 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -22.683 3.749 -1.992 1.00 0.00 O ATOM 0 H GLU A 82 -19.491 7.821 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.505 5.215 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.173 6.955 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.918 7.904 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.670 6.741 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.535 6.026 -2.852 1.00 0.00 H new ATOM 1170 N LYS A 83 -21.166 7.238 -5.363 1.00 0.00 N ATOM 1171 CA LYS A 83 -21.707 7.340 -6.718 1.00 0.00 C ATOM 1172 C LYS A 83 -20.955 8.404 -7.509 1.00 0.00 C ATOM 1173 O LYS A 83 -20.258 9.250 -6.931 1.00 0.00 O ATOM 1174 CB LYS A 83 -23.234 7.599 -6.698 1.00 0.00 C ATOM 1175 CG LYS A 83 -23.696 8.770 -5.807 1.00 0.00 C ATOM 1176 CD LYS A 83 -25.230 8.802 -5.637 1.00 0.00 C ATOM 1177 CE LYS A 83 -25.786 7.509 -5.001 1.00 0.00 C ATOM 1178 NZ LYS A 83 -27.264 7.505 -4.936 1.00 0.00 N ATOM 0 H LYS A 83 -20.592 8.036 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 83 -21.560 6.385 -7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -23.566 7.789 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.735 6.691 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -23.225 8.687 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -23.361 9.711 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.505 9.655 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -25.696 8.953 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -25.448 6.648 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -25.380 7.398 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -27.590 6.618 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.588 8.310 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -27.654 7.584 -5.897 1.00 0.00 H new ATOM 1192 N LYS A 84 -21.083 8.337 -8.842 1.00 0.00 N ATOM 1193 CA LYS A 84 -20.474 9.319 -9.751 1.00 0.00 C ATOM 1194 C LYS A 84 -21.116 10.697 -9.548 1.00 0.00 C ATOM 1195 O LYS A 84 -20.473 11.719 -9.755 1.00 0.00 O ATOM 1196 CB LYS A 84 -20.560 8.854 -11.228 1.00 0.00 C ATOM 1197 CG LYS A 84 -21.964 8.876 -11.873 1.00 0.00 C ATOM 1198 CD LYS A 84 -21.925 8.443 -13.357 1.00 0.00 C ATOM 1199 CE LYS A 84 -23.275 8.611 -14.069 1.00 0.00 C ATOM 1200 NZ LYS A 84 -24.360 7.819 -13.431 1.00 0.00 N ATOM 0 H LYS A 84 -21.609 7.604 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.414 9.402 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.900 9.484 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.171 7.838 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.628 8.213 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.382 9.880 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.169 9.029 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.617 7.399 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.552 9.665 -14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -23.173 8.307 -15.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.241 7.941 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.096 6.813 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.502 8.148 -12.455 1.00 0.00 H new ATOM 1214 N ASP A 85 -22.383 10.691 -9.104 1.00 0.00 N ATOM 1215 CA ASP A 85 -23.096 11.900 -8.661 1.00 0.00 C ATOM 1216 C ASP A 85 -22.359 12.591 -7.485 1.00 0.00 C ATOM 1217 O ASP A 85 -22.272 13.823 -7.445 1.00 0.00 O ATOM 1218 CB ASP A 85 -24.547 11.530 -8.270 1.00 0.00 C ATOM 1219 CG ASP A 85 -25.353 12.702 -7.685 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -25.653 13.656 -8.427 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -25.683 12.677 -6.477 1.00 0.00 O ATOM 0 H ASP A 85 -22.945 9.842 -9.042 1.00 0.00 H new ATOM 0 HA ASP A 85 -23.122 12.613 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -25.064 11.150 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -24.521 10.720 -7.541 1.00 0.00 H new ATOM 1226 N SER A 86 -21.816 11.781 -6.542 1.00 0.00 N ATOM 1227 CA SER A 86 -20.987 12.282 -5.421 1.00 0.00 C ATOM 1228 C SER A 86 -19.646 12.851 -5.934 1.00 0.00 C ATOM 1229 O SER A 86 -19.110 13.788 -5.351 1.00 0.00 O ATOM 1230 CB SER A 86 -20.706 11.157 -4.393 1.00 0.00 C ATOM 1231 OG SER A 86 -21.898 10.578 -3.904 1.00 0.00 O ATOM 0 H SER A 86 -21.940 10.769 -6.538 1.00 0.00 H new ATOM 0 HA SER A 86 -21.548 13.079 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.092 10.386 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.131 11.562 -3.560 1.00 0.00 H new ATOM 0 HG SER A 86 -21.690 9.989 -3.149 1.00 0.00 H new ATOM 1237 N VAL A 87 -19.133 12.270 -7.039 1.00 0.00 N ATOM 1238 CA VAL A 87 -17.831 12.645 -7.636 1.00 0.00 C ATOM 1239 C VAL A 87 -17.938 14.013 -8.340 1.00 0.00 C ATOM 1240 O VAL A 87 -17.035 14.841 -8.242 1.00 0.00 O ATOM 1241 CB VAL A 87 -17.325 11.558 -8.665 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -16.022 12.004 -9.376 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -17.139 10.187 -7.977 1.00 0.00 C ATOM 0 H VAL A 87 -19.611 11.525 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 87 -17.107 12.707 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 87 -18.094 11.452 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.706 11.230 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -16.203 12.932 -9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.239 12.164 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -16.790 9.457 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -16.405 10.278 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -18.091 9.857 -7.560 1.00 0.00 H new ATOM 1253 N VAL A 88 -19.069 14.214 -9.041 1.00 0.00 N ATOM 1254 CA VAL A 88 -19.378 15.457 -9.792 1.00 0.00 C ATOM 1255 C VAL A 88 -19.719 16.572 -8.802 1.00 0.00 C ATOM 1256 O VAL A 88 -19.359 17.740 -9.003 1.00 0.00 O ATOM 1257 CB VAL A 88 -20.571 15.259 -10.809 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -20.875 16.559 -11.603 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -20.288 14.093 -11.779 1.00 0.00 C ATOM 0 H VAL A 88 -19.807 13.513 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 88 -18.497 15.724 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 88 -21.454 15.013 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -21.701 16.380 -12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -21.146 17.354 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -19.991 16.856 -12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -21.126 13.980 -12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -19.380 14.302 -12.344 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -20.158 13.171 -11.212 1.00 0.00 H new ATOM 1269 N ALA A 89 -20.399 16.173 -7.712 1.00 0.00 N ATOM 1270 CA ALA A 89 -20.748 17.076 -6.610 1.00 0.00 C ATOM 1271 C ALA A 89 -19.466 17.547 -5.911 1.00 0.00 C ATOM 1272 O ALA A 89 -19.319 18.717 -5.575 1.00 0.00 O ATOM 1273 CB ALA A 89 -21.685 16.381 -5.612 1.00 0.00 C ATOM 0 H ALA A 89 -20.720 15.215 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.274 17.941 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -21.930 17.069 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -22.600 16.079 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -21.191 15.501 -5.201 1.00 0.00 H new ATOM 1279 N HIS A 90 -18.531 16.593 -5.748 1.00 0.00 N ATOM 1280 CA HIS A 90 -17.194 16.822 -5.149 1.00 0.00 C ATOM 1281 C HIS A 90 -16.294 17.629 -6.116 1.00 0.00 C ATOM 1282 O HIS A 90 -15.461 18.422 -5.681 1.00 0.00 O ATOM 1283 CB HIS A 90 -16.549 15.442 -4.783 1.00 0.00 C ATOM 1284 CG HIS A 90 -15.048 15.375 -4.869 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -14.198 15.818 -3.890 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -14.260 14.898 -5.867 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -12.951 15.598 -4.307 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -12.933 15.033 -5.502 1.00 0.00 N ATOM 0 H HIS A 90 -18.681 15.625 -6.032 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.299 17.411 -4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -16.847 15.181 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -16.966 14.681 -5.443 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -14.470 16.240 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.614 14.480 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.067 15.850 -3.740 1.00 0.00 H new ATOM 1296 N LYS A 91 -16.476 17.393 -7.423 1.00 0.00 N ATOM 1297 CA LYS A 91 -15.671 18.012 -8.498 1.00 0.00 C ATOM 1298 C LYS A 91 -16.028 19.500 -8.587 1.00 0.00 C ATOM 1299 O LYS A 91 -15.191 20.341 -8.885 1.00 0.00 O ATOM 1300 CB LYS A 91 -15.940 17.317 -9.866 1.00 0.00 C ATOM 1301 CG LYS A 91 -15.046 17.809 -11.029 1.00 0.00 C ATOM 1302 CD LYS A 91 -15.472 17.239 -12.404 1.00 0.00 C ATOM 1303 CE LYS A 91 -15.462 15.707 -12.465 1.00 0.00 C ATOM 1304 NZ LYS A 91 -15.750 15.210 -13.831 1.00 0.00 N ATOM 0 H LYS A 91 -17.195 16.759 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.613 17.894 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.798 16.243 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.984 17.472 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.077 18.898 -11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.012 17.527 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.474 17.597 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.804 17.629 -13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.490 15.336 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.202 15.310 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.735 14.170 -13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.689 15.543 -14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.029 15.568 -14.490 1.00 0.00 H new ATOM 1318 N ALA A 92 -17.305 19.790 -8.305 1.00 0.00 N ATOM 1319 CA ALA A 92 -17.841 21.148 -8.248 1.00 0.00 C ATOM 1320 C ALA A 92 -17.174 21.964 -7.120 1.00 0.00 C ATOM 1321 O ALA A 92 -16.971 23.176 -7.255 1.00 0.00 O ATOM 1322 CB ALA A 92 -19.368 21.090 -8.052 1.00 0.00 C ATOM 0 H ALA A 92 -18.003 19.073 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 92 -17.620 21.652 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -19.768 22.103 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -19.822 20.555 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -19.596 20.571 -7.121 1.00 0.00 H new ATOM 1328 N LYS A 93 -16.807 21.276 -6.018 1.00 0.00 N ATOM 1329 CA LYS A 93 -16.312 21.951 -4.786 1.00 0.00 C ATOM 1330 C LYS A 93 -14.779 22.035 -4.780 1.00 0.00 C ATOM 1331 O LYS A 93 -14.201 23.105 -4.552 1.00 0.00 O ATOM 1332 CB LYS A 93 -16.812 21.207 -3.513 1.00 0.00 C ATOM 1333 CG LYS A 93 -18.315 20.862 -3.521 1.00 0.00 C ATOM 1334 CD LYS A 93 -19.248 22.081 -3.758 1.00 0.00 C ATOM 1335 CE LYS A 93 -20.719 21.659 -3.950 1.00 0.00 C ATOM 1336 NZ LYS A 93 -21.230 20.883 -2.789 1.00 0.00 N ATOM 0 H LYS A 93 -16.842 20.259 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 93 -16.711 22.965 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.241 20.285 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.599 21.824 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -18.502 20.120 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -18.575 20.400 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.175 22.763 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.911 22.629 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -21.335 22.547 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -20.809 21.059 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -22.251 20.721 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -20.737 19.968 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.059 21.417 -1.913 1.00 0.00 H new ATOM 1350 N SER A 94 -14.133 20.900 -5.064 1.00 0.00 N ATOM 1351 CA SER A 94 -12.686 20.733 -4.924 1.00 0.00 C ATOM 1352 C SER A 94 -11.954 21.103 -6.225 1.00 0.00 C ATOM 1353 O SER A 94 -10.772 21.460 -6.197 1.00 0.00 O ATOM 1354 CB SER A 94 -12.367 19.272 -4.523 1.00 0.00 C ATOM 1355 OG SER A 94 -10.982 19.079 -4.295 1.00 0.00 O ATOM 0 H SER A 94 -14.607 20.062 -5.401 1.00 0.00 H new ATOM 0 HA SER A 94 -12.335 21.407 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.923 19.013 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.703 18.597 -5.310 1.00 0.00 H new ATOM 0 HG SER A 94 -10.819 18.146 -4.043 1.00 0.00 H new ATOM 1361 N HIS A 95 -12.668 21.029 -7.369 1.00 0.00 N ATOM 1362 CA HIS A 95 -12.067 21.224 -8.712 1.00 0.00 C ATOM 1363 C HIS A 95 -12.929 22.201 -9.591 1.00 0.00 C ATOM 1364 O HIS A 95 -13.189 21.883 -10.763 1.00 0.00 O ATOM 1365 CB HIS A 95 -11.939 19.840 -9.431 1.00 0.00 C ATOM 1366 CG HIS A 95 -11.338 18.711 -8.625 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -10.147 18.783 -7.931 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -11.800 17.449 -8.436 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -9.933 17.582 -7.363 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -10.912 16.739 -7.649 1.00 0.00 N ATOM 0 H HIS A 95 -13.669 20.834 -7.391 1.00 0.00 H new ATOM 0 HA HIS A 95 -11.081 21.670 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.932 19.533 -9.759 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.335 19.977 -10.328 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.539 19.599 -7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.722 17.058 -8.840 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.075 17.338 -6.754 1.00 0.00 H new ATOM 1378 N PRO A 96 -13.385 23.410 -9.080 1.00 0.00 N ATOM 1379 CA PRO A 96 -14.296 24.301 -9.858 1.00 0.00 C ATOM 1380 C PRO A 96 -13.608 24.912 -11.110 1.00 0.00 C ATOM 1381 O PRO A 96 -14.269 25.226 -12.106 1.00 0.00 O ATOM 1382 CB PRO A 96 -14.710 25.382 -8.825 1.00 0.00 C ATOM 1383 CG PRO A 96 -13.569 25.433 -7.855 1.00 0.00 C ATOM 1384 CD PRO A 96 -13.061 24.011 -7.752 1.00 0.00 C ATOM 0 HA PRO A 96 -15.150 23.765 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.867 26.349 -9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -15.643 25.118 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.786 26.105 -8.206 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.896 25.804 -6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.990 23.984 -7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.549 23.471 -6.941 1.00 0.00 H new ATOM 1392 N GLU A 97 -12.269 25.051 -11.041 1.00 0.00 N ATOM 1393 CA GLU A 97 -11.431 25.550 -12.125 1.00 0.00 C ATOM 1394 C GLU A 97 -10.153 24.684 -12.174 1.00 0.00 C ATOM 1395 O GLU A 97 -9.267 24.819 -11.322 1.00 0.00 O ATOM 1396 CB GLU A 97 -11.136 27.074 -11.910 1.00 0.00 C ATOM 1397 CG GLU A 97 -10.364 27.792 -13.050 1.00 0.00 C ATOM 1398 CD GLU A 97 -8.832 27.633 -12.978 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -8.202 28.294 -12.120 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -8.251 26.835 -13.748 1.00 0.00 O ATOM 0 H GLU A 97 -11.737 24.811 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 97 -11.932 25.471 -13.090 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.085 27.589 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.566 27.186 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.713 27.406 -14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.609 28.854 -13.026 1.00 0.00 H new ATOM 1407 N VAL A 98 -10.114 23.743 -13.127 1.00 0.00 N ATOM 1408 CA VAL A 98 -8.924 22.911 -13.421 1.00 0.00 C ATOM 1409 C VAL A 98 -8.907 22.545 -14.939 1.00 0.00 C ATOM 1410 O VAL A 98 -9.738 21.724 -15.395 1.00 0.00 O ATOM 1411 CB VAL A 98 -8.822 21.636 -12.472 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -10.144 20.832 -12.431 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -7.598 20.744 -12.843 1.00 0.00 C ATOM 1414 OXT VAL A 98 -8.076 23.109 -15.686 1.00 0.00 O ATOM 0 H VAL A 98 -10.912 23.531 -13.725 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.029 23.493 -13.202 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.655 22.001 -11.459 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.027 19.972 -11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.946 21.469 -12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.392 20.488 -13.435 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.559 19.883 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.697 20.400 -13.873 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.681 21.324 -12.741 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.888 0.322 3.541 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 -4.829 -2.344 -6.494 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -11.303 14.882 -6.775 1.00 0.00 ZN