USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 63 GLN : amide:sc= 0.0238 K(o=-0.35,f=-1.8) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 149:sc= -0.378 (180deg=-1.94) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 171:sc= 1.02 (180deg=-0.335) USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= 0.43 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.275) USER MOD Set 3.2: A 58 ASN : amide:sc= -4.71! C(o=-4.7!,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0131 (180deg=-0.206) USER MOD Single : A 16 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 25 MET CE :methyl 153:sc= -0.491 (180deg=-1.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0.0881 (180deg=0.0196) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.843 15.723 -10.765 1.00 0.00 N ATOM 2 CA GLY A 1 -0.507 16.283 -10.693 1.00 0.00 C ATOM 3 C GLY A 1 -0.202 16.884 -9.335 1.00 0.00 C ATOM 4 O GLY A 1 -0.057 18.100 -9.205 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.002 15.325 -11.713 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.943 14.972 -10.053 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.543 16.470 -10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.222 15.504 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.396 17.050 -11.459 1.00 0.00 H new ATOM 8 N SER A 2 -0.107 16.031 -8.321 1.00 0.00 N ATOM 9 CA SER A 2 0.177 16.485 -6.964 1.00 0.00 C ATOM 10 C SER A 2 1.639 16.895 -6.823 1.00 0.00 C ATOM 11 O SER A 2 2.543 16.073 -6.972 1.00 0.00 O ATOM 12 CB SER A 2 -0.156 15.384 -5.955 1.00 0.00 C ATOM 13 OG SER A 2 -0.192 15.897 -4.635 1.00 0.00 O ATOM 0 H SER A 2 -0.222 15.022 -8.413 1.00 0.00 H new ATOM 0 HA SER A 2 -0.447 17.355 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.120 14.939 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.588 14.590 -6.020 1.00 0.00 H new ATOM 0 HG SER A 2 -0.408 15.175 -4.009 1.00 0.00 H new ATOM 19 N SER A 3 1.864 18.173 -6.535 1.00 0.00 N ATOM 20 CA SER A 3 3.217 18.695 -6.377 1.00 0.00 C ATOM 21 C SER A 3 3.683 18.566 -4.931 1.00 0.00 C ATOM 22 O SER A 3 2.872 18.469 -4.011 1.00 0.00 O ATOM 23 CB SER A 3 3.275 20.159 -6.815 1.00 0.00 C ATOM 24 OG SER A 3 2.515 20.982 -5.948 1.00 0.00 O ATOM 0 H SER A 3 1.127 18.866 -6.406 1.00 0.00 H new ATOM 0 HA SER A 3 3.883 18.107 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.311 20.497 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.898 20.252 -7.833 1.00 0.00 H new ATOM 0 HG SER A 3 2.570 21.913 -6.249 1.00 0.00 H new ATOM 30 N GLY A 4 4.999 18.565 -4.738 1.00 0.00 N ATOM 31 CA GLY A 4 5.553 18.447 -3.401 1.00 0.00 C ATOM 32 C GLY A 4 6.197 17.097 -3.158 1.00 0.00 C ATOM 33 O GLY A 4 5.541 16.061 -3.260 1.00 0.00 O ATOM 0 H GLY A 4 5.691 18.644 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.293 19.232 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.762 18.606 -2.668 1.00 0.00 H new ATOM 37 N SER A 5 7.487 17.108 -2.837 1.00 0.00 N ATOM 38 CA SER A 5 8.223 15.875 -2.584 1.00 0.00 C ATOM 39 C SER A 5 9.415 16.132 -1.667 1.00 0.00 C ATOM 40 O SER A 5 10.236 17.010 -1.931 1.00 0.00 O ATOM 41 CB SER A 5 8.700 15.261 -3.901 1.00 0.00 C ATOM 42 OG SER A 5 8.933 13.871 -3.761 1.00 0.00 O ATOM 0 H SER A 5 8.044 17.958 -2.746 1.00 0.00 H new ATOM 0 HA SER A 5 7.551 15.175 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.953 15.431 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.616 15.755 -4.226 1.00 0.00 H new ATOM 0 HG SER A 5 9.235 13.502 -4.617 1.00 0.00 H new ATOM 48 N SER A 6 9.503 15.358 -0.590 1.00 0.00 N ATOM 49 CA SER A 6 10.593 15.504 0.368 1.00 0.00 C ATOM 50 C SER A 6 11.163 14.142 0.754 1.00 0.00 C ATOM 51 O SER A 6 10.667 13.103 0.318 1.00 0.00 O ATOM 52 CB SER A 6 10.105 16.238 1.619 1.00 0.00 C ATOM 53 OG SER A 6 9.313 15.389 2.432 1.00 0.00 O ATOM 0 H SER A 6 8.833 14.624 -0.359 1.00 0.00 H new ATOM 0 HA SER A 6 11.383 16.089 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.961 16.599 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.524 17.113 1.328 1.00 0.00 H new ATOM 0 HG SER A 6 9.015 15.881 3.226 1.00 0.00 H new ATOM 59 N GLY A 7 12.208 14.156 1.575 1.00 0.00 N ATOM 60 CA GLY A 7 12.830 12.917 2.005 1.00 0.00 C ATOM 61 C GLY A 7 12.524 12.588 3.453 1.00 0.00 C ATOM 62 O GLY A 7 12.875 13.346 4.357 1.00 0.00 O ATOM 0 H GLY A 7 12.635 15.003 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.486 12.101 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.909 12.991 1.872 1.00 0.00 H new ATOM 66 N VAL A 8 11.866 11.454 3.674 1.00 0.00 N ATOM 67 CA VAL A 8 11.512 11.026 5.022 1.00 0.00 C ATOM 68 C VAL A 8 11.991 9.605 5.292 1.00 0.00 C ATOM 69 O VAL A 8 12.430 8.904 4.380 1.00 0.00 O ATOM 70 CB VAL A 8 9.990 11.095 5.252 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.486 12.519 5.070 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.267 10.141 4.314 1.00 0.00 C ATOM 0 H VAL A 8 11.567 10.815 2.937 1.00 0.00 H new ATOM 0 HA VAL A 8 12.008 11.710 5.711 1.00 0.00 H new ATOM 0 HB VAL A 8 9.780 10.790 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.409 12.548 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.982 13.175 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.706 12.856 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.193 10.202 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.482 10.414 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.607 9.122 4.498 1.00 0.00 H new ATOM 82 N ARG A 9 11.904 9.185 6.550 1.00 0.00 N ATOM 83 CA ARG A 9 12.330 7.846 6.939 1.00 0.00 C ATOM 84 C ARG A 9 11.551 7.361 8.159 1.00 0.00 C ATOM 85 O ARG A 9 11.619 7.963 9.230 1.00 0.00 O ATOM 86 CB ARG A 9 13.830 7.832 7.240 1.00 0.00 C ATOM 87 CG ARG A 9 14.699 7.735 5.997 1.00 0.00 C ATOM 88 CD ARG A 9 16.173 7.899 6.334 1.00 0.00 C ATOM 89 NE ARG A 9 16.954 8.331 5.179 1.00 0.00 N ATOM 90 CZ ARG A 9 18.236 8.675 5.245 1.00 0.00 C ATOM 91 NH1 ARG A 9 18.877 8.636 6.404 1.00 0.00 N ATOM 92 NH2 ARG A 9 18.879 9.057 4.149 1.00 0.00 N ATOM 0 H ARG A 9 11.543 9.752 7.317 1.00 0.00 H new ATOM 0 HA ARG A 9 12.127 7.171 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.091 8.739 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.053 6.990 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.540 6.770 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.400 8.502 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.282 8.627 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.567 6.953 6.705 1.00 0.00 H new ATOM 0 HE ARG A 9 16.490 8.371 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.387 8.341 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.861 8.901 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.389 9.087 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.863 9.321 4.201 1.00 0.00 H new ATOM 106 N ALA A 10 10.812 6.270 7.987 1.00 0.00 N ATOM 107 CA ALA A 10 10.022 5.704 9.073 1.00 0.00 C ATOM 108 C ALA A 10 10.574 4.350 9.506 1.00 0.00 C ATOM 109 O ALA A 10 11.086 3.575 8.699 1.00 0.00 O ATOM 110 CB ALA A 10 8.565 5.572 8.653 1.00 0.00 C ATOM 0 H ALA A 10 10.744 5.761 7.106 1.00 0.00 H new ATOM 0 HA ALA A 10 10.083 6.381 9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.987 5.148 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.169 6.555 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.495 4.918 7.784 1.00 0.00 H new ATOM 116 N PRO A 11 10.471 4.058 10.811 1.00 0.00 N ATOM 117 CA PRO A 11 10.955 2.797 11.381 1.00 0.00 C ATOM 118 C PRO A 11 10.112 1.603 10.946 1.00 0.00 C ATOM 119 O PRO A 11 8.916 1.736 10.686 1.00 0.00 O ATOM 120 CB PRO A 11 10.830 3.019 12.890 1.00 0.00 C ATOM 121 CG PRO A 11 9.758 4.043 13.035 1.00 0.00 C ATOM 122 CD PRO A 11 9.872 4.936 11.831 1.00 0.00 C ATOM 0 HA PRO A 11 11.968 2.564 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.567 2.095 13.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.770 3.367 13.318 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.775 3.575 13.082 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.884 4.612 13.956 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.899 5.312 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.499 5.804 12.033 1.00 0.00 H new ATOM 130 N VAL A 12 10.743 0.436 10.869 1.00 0.00 N ATOM 131 CA VAL A 12 10.050 -0.783 10.467 1.00 0.00 C ATOM 132 C VAL A 12 10.538 -1.983 11.272 1.00 0.00 C ATOM 133 O VAL A 12 11.704 -2.052 11.661 1.00 0.00 O ATOM 134 CB VAL A 12 10.246 -1.071 8.967 1.00 0.00 C ATOM 135 CG1 VAL A 12 9.603 0.020 8.125 1.00 0.00 C ATOM 136 CG2 VAL A 12 11.726 -1.206 8.640 1.00 0.00 C ATOM 0 H VAL A 12 11.733 0.308 11.080 1.00 0.00 H new ATOM 0 HA VAL A 12 8.990 -0.624 10.663 1.00 0.00 H new ATOM 0 HB VAL A 12 9.757 -2.016 8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.752 -0.201 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.535 0.064 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.060 0.980 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.846 -1.409 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.241 -0.279 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.153 -2.027 9.217 1.00 0.00 H new ATOM 146 N THR A 13 9.636 -2.928 11.518 1.00 0.00 N ATOM 147 CA THR A 13 9.973 -4.126 12.277 1.00 0.00 C ATOM 148 C THR A 13 9.370 -5.371 11.636 1.00 0.00 C ATOM 149 O THR A 13 8.241 -5.344 11.144 1.00 0.00 O ATOM 150 CB THR A 13 9.484 -4.024 13.734 1.00 0.00 C ATOM 151 OG1 THR A 13 8.063 -3.848 13.763 1.00 0.00 O ATOM 152 CG2 THR A 13 10.158 -2.864 14.451 1.00 0.00 C ATOM 0 H THR A 13 8.667 -2.887 11.203 1.00 0.00 H new ATOM 0 HA THR A 13 11.060 -4.208 12.271 1.00 0.00 H new ATOM 0 HB THR A 13 9.746 -4.949 14.247 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.760 -3.786 14.693 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.797 -2.812 15.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.237 -3.015 14.453 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.923 -1.932 13.936 1.00 0.00 H new ATOM 160 N LYS A 14 10.128 -6.462 11.646 1.00 0.00 N ATOM 161 CA LYS A 14 9.668 -7.719 11.067 1.00 0.00 C ATOM 162 C LYS A 14 8.531 -8.314 11.893 1.00 0.00 C ATOM 163 O LYS A 14 8.504 -8.182 13.116 1.00 0.00 O ATOM 164 CB LYS A 14 10.824 -8.717 10.978 1.00 0.00 C ATOM 165 CG LYS A 14 11.664 -8.565 9.721 1.00 0.00 C ATOM 166 CD LYS A 14 13.069 -9.108 9.920 1.00 0.00 C ATOM 167 CE LYS A 14 13.941 -8.128 10.690 1.00 0.00 C ATOM 168 NZ LYS A 14 14.281 -6.929 9.875 1.00 0.00 N ATOM 0 H LYS A 14 11.064 -6.501 12.049 1.00 0.00 H new ATOM 0 HA LYS A 14 9.296 -7.513 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.466 -8.595 11.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.422 -9.730 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.184 -9.090 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.716 -7.513 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.022 -10.055 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.521 -9.315 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.423 -7.816 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.858 -8.627 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.077 -6.425 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.547 -7.226 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.456 -6.297 9.826 1.00 0.00 H new ATOM 182 N VAL A 15 7.595 -8.971 11.216 1.00 0.00 N ATOM 183 CA VAL A 15 6.458 -9.589 11.887 1.00 0.00 C ATOM 184 C VAL A 15 5.894 -10.742 11.064 1.00 0.00 C ATOM 185 O VAL A 15 5.756 -10.639 9.845 1.00 0.00 O ATOM 186 CB VAL A 15 5.338 -8.565 12.151 1.00 0.00 C ATOM 187 CG1 VAL A 15 4.740 -8.077 10.840 1.00 0.00 C ATOM 188 CG2 VAL A 15 4.264 -9.169 13.044 1.00 0.00 C ATOM 0 H VAL A 15 7.602 -9.089 10.203 1.00 0.00 H new ATOM 0 HA VAL A 15 6.823 -9.972 12.840 1.00 0.00 H new ATOM 0 HB VAL A 15 5.768 -7.707 12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.951 -7.354 11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.517 -7.604 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.323 -8.923 10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.481 -8.432 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.835 -10.045 12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.706 -9.464 13.996 1.00 0.00 H new ATOM 198 N HIS A 16 5.568 -11.840 11.739 1.00 0.00 N ATOM 199 CA HIS A 16 5.017 -13.013 11.070 1.00 0.00 C ATOM 200 C HIS A 16 3.500 -12.907 10.949 1.00 0.00 C ATOM 201 O HIS A 16 2.777 -13.056 11.933 1.00 0.00 O ATOM 202 CB HIS A 16 5.392 -14.284 11.833 1.00 0.00 C ATOM 203 CG HIS A 16 6.870 -14.494 11.957 1.00 0.00 C ATOM 204 ND1 HIS A 16 7.546 -15.497 11.295 1.00 0.00 N ATOM 205 CD2 HIS A 16 7.803 -13.822 12.672 1.00 0.00 C ATOM 206 CE1 HIS A 16 8.830 -15.434 11.598 1.00 0.00 C ATOM 207 NE2 HIS A 16 9.013 -14.425 12.431 1.00 0.00 N ATOM 0 H HIS A 16 5.676 -11.942 12.748 1.00 0.00 H new ATOM 0 HA HIS A 16 5.441 -13.062 10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.954 -14.242 12.830 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.952 -15.144 11.328 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.628 -12.970 13.313 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.600 -16.095 11.228 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.907 -14.140 12.830 1.00 0.00 H new ATOM 216 N GLY A 17 3.024 -12.648 9.735 1.00 0.00 N ATOM 217 CA GLY A 17 1.596 -12.526 9.508 1.00 0.00 C ATOM 218 C GLY A 17 1.150 -13.219 8.237 1.00 0.00 C ATOM 219 O GLY A 17 1.947 -13.430 7.323 1.00 0.00 O ATOM 0 H GLY A 17 3.602 -12.520 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.059 -12.949 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.328 -11.471 9.456 1.00 0.00 H new ATOM 223 N GLY A 18 -0.129 -13.577 8.177 1.00 0.00 N ATOM 224 CA GLY A 18 -0.658 -14.249 7.005 1.00 0.00 C ATOM 225 C GLY A 18 -1.826 -15.158 7.334 1.00 0.00 C ATOM 226 O GLY A 18 -1.636 -16.322 7.684 1.00 0.00 O ATOM 0 H GLY A 18 -0.809 -13.413 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.976 -13.504 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.134 -14.835 6.538 1.00 0.00 H new ATOM 230 N ALA A 19 -3.038 -14.624 7.224 1.00 0.00 N ATOM 231 CA ALA A 19 -4.242 -15.394 7.512 1.00 0.00 C ATOM 232 C ALA A 19 -5.343 -15.090 6.503 1.00 0.00 C ATOM 233 O ALA A 19 -5.259 -14.120 5.750 1.00 0.00 O ATOM 234 CB ALA A 19 -4.725 -15.108 8.926 1.00 0.00 C ATOM 0 H ALA A 19 -3.212 -13.661 6.937 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.995 -16.452 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.625 -15.689 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.948 -15.383 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.949 -14.046 9.026 1.00 0.00 H new ATOM 240 N GLY A 20 -6.377 -15.927 6.491 1.00 0.00 N ATOM 241 CA GLY A 20 -7.480 -15.731 5.569 1.00 0.00 C ATOM 242 C GLY A 20 -8.706 -16.534 5.953 1.00 0.00 C ATOM 243 O GLY A 20 -8.626 -17.746 6.153 1.00 0.00 O ATOM 0 H GLY A 20 -6.470 -16.737 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.738 -14.673 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.164 -16.013 4.565 1.00 0.00 H new ATOM 247 N SER A 21 -9.846 -15.857 6.058 1.00 0.00 N ATOM 248 CA SER A 21 -11.094 -16.515 6.427 1.00 0.00 C ATOM 249 C SER A 21 -12.100 -16.453 5.281 1.00 0.00 C ATOM 250 O SER A 21 -12.094 -15.514 4.486 1.00 0.00 O ATOM 251 CB SER A 21 -11.688 -15.864 7.677 1.00 0.00 C ATOM 252 OG SER A 21 -10.956 -16.225 8.836 1.00 0.00 O ATOM 0 H SER A 21 -9.931 -14.854 5.893 1.00 0.00 H new ATOM 0 HA SER A 21 -10.875 -17.561 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.684 -14.780 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.728 -16.169 7.790 1.00 0.00 H new ATOM 0 HG SER A 21 -11.354 -15.795 9.621 1.00 0.00 H new ATOM 258 N ALA A 22 -12.962 -17.461 5.204 1.00 0.00 N ATOM 259 CA ALA A 22 -13.976 -17.521 4.158 1.00 0.00 C ATOM 260 C ALA A 22 -15.084 -16.504 4.408 1.00 0.00 C ATOM 261 O ALA A 22 -15.565 -16.362 5.532 1.00 0.00 O ATOM 262 CB ALA A 22 -14.555 -18.924 4.064 1.00 0.00 C ATOM 0 H ALA A 22 -12.979 -18.247 5.853 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.499 -17.273 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.311 -18.954 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.759 -19.631 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.011 -19.194 5.017 1.00 0.00 H new ATOM 268 N GLN A 23 -15.483 -15.799 3.354 1.00 0.00 N ATOM 269 CA GLN A 23 -16.535 -14.794 3.462 1.00 0.00 C ATOM 270 C GLN A 23 -17.234 -14.593 2.122 1.00 0.00 C ATOM 271 O GLN A 23 -16.709 -14.969 1.074 1.00 0.00 O ATOM 272 CB GLN A 23 -15.953 -13.467 3.951 1.00 0.00 C ATOM 273 CG GLN A 23 -15.314 -13.554 5.328 1.00 0.00 C ATOM 274 CD GLN A 23 -14.569 -12.289 5.707 1.00 0.00 C ATOM 275 OE1 GLN A 23 -13.453 -12.050 5.245 1.00 0.00 O ATOM 276 NE2 GLN A 23 -15.184 -11.470 6.552 1.00 0.00 N ATOM 0 H GLN A 23 -15.095 -15.905 2.417 1.00 0.00 H new ATOM 0 HA GLN A 23 -17.269 -15.149 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.208 -13.121 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.745 -12.719 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.087 -13.752 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.625 -14.398 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.109 -11.708 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.731 -10.603 6.843 1.00 0.00 H new ATOM 285 N ARG A 24 -18.422 -13.998 2.163 1.00 0.00 N ATOM 286 CA ARG A 24 -19.194 -13.749 0.952 1.00 0.00 C ATOM 287 C ARG A 24 -18.672 -12.516 0.219 1.00 0.00 C ATOM 288 O ARG A 24 -19.221 -12.113 -0.806 1.00 0.00 O ATOM 289 CB ARG A 24 -20.674 -13.563 1.294 1.00 0.00 C ATOM 290 CG ARG A 24 -21.452 -14.867 1.361 1.00 0.00 C ATOM 291 CD ARG A 24 -21.300 -15.538 2.717 1.00 0.00 C ATOM 292 NE ARG A 24 -21.739 -16.930 2.691 1.00 0.00 N ATOM 293 CZ ARG A 24 -21.587 -17.768 3.711 1.00 0.00 C ATOM 294 NH1 ARG A 24 -21.009 -17.356 4.831 1.00 0.00 N ATOM 295 NH2 ARG A 24 -22.013 -19.021 3.611 1.00 0.00 N ATOM 0 H ARG A 24 -18.870 -13.680 3.022 1.00 0.00 H new ATOM 0 HA ARG A 24 -19.085 -14.614 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.755 -13.052 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -21.132 -12.914 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -22.507 -14.673 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -21.102 -15.541 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -20.257 -15.493 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -21.879 -14.989 3.460 1.00 0.00 H new ATOM 0 HE ARG A 24 -22.187 -17.278 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.680 -16.394 4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.894 -18.001 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -22.457 -19.341 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -21.896 -19.664 4.394 1.00 0.00 H new ATOM 309 N MET A 25 -17.609 -11.923 0.752 1.00 0.00 N ATOM 310 CA MET A 25 -17.013 -10.737 0.148 1.00 0.00 C ATOM 311 C MET A 25 -15.649 -10.442 0.762 1.00 0.00 C ATOM 312 O MET A 25 -15.368 -10.792 1.909 1.00 0.00 O ATOM 313 CB MET A 25 -17.937 -9.530 0.324 1.00 0.00 C ATOM 314 CG MET A 25 -17.836 -8.882 1.695 1.00 0.00 C ATOM 315 SD MET A 25 -18.522 -9.915 3.004 1.00 0.00 S ATOM 316 CE MET A 25 -17.224 -9.809 4.234 1.00 0.00 C ATOM 0 H MET A 25 -17.143 -12.244 1.600 1.00 0.00 H new ATOM 0 HA MET A 25 -16.878 -10.930 -0.916 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.700 -8.787 -0.438 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.967 -9.844 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.790 -8.669 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.359 -7.926 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.650 -9.958 5.226 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.476 -10.578 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.755 -8.826 4.184 1.00 0.00 H new ATOM 326 N PRO A 26 -14.778 -9.782 -0.016 1.00 0.00 N ATOM 327 CA PRO A 26 -13.429 -9.425 0.431 1.00 0.00 C ATOM 328 C PRO A 26 -13.441 -8.341 1.503 1.00 0.00 C ATOM 329 O PRO A 26 -14.245 -7.409 1.449 1.00 0.00 O ATOM 330 CB PRO A 26 -12.758 -8.908 -0.844 1.00 0.00 C ATOM 331 CG PRO A 26 -13.882 -8.430 -1.697 1.00 0.00 C ATOM 332 CD PRO A 26 -15.045 -9.333 -1.393 1.00 0.00 C ATOM 0 HA PRO A 26 -12.914 -10.270 0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.058 -8.102 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.192 -9.696 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.126 -7.391 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.617 -8.477 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.995 -8.803 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.094 -10.172 -2.087 1.00 0.00 H new ATOM 340 N LEU A 27 -12.546 -8.468 2.477 1.00 0.00 N ATOM 341 CA LEU A 27 -12.454 -7.498 3.562 1.00 0.00 C ATOM 342 C LEU A 27 -11.271 -6.558 3.354 1.00 0.00 C ATOM 343 O LEU A 27 -10.120 -6.993 3.306 1.00 0.00 O ATOM 344 CB LEU A 27 -12.317 -8.218 4.905 1.00 0.00 C ATOM 345 CG LEU A 27 -13.022 -7.562 6.093 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.445 -6.180 6.359 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.521 -7.477 5.844 1.00 0.00 C ATOM 0 H LEU A 27 -11.874 -9.233 2.537 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.369 -6.905 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.704 -9.231 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.256 -8.306 5.141 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.855 -8.179 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.959 -5.728 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.382 -6.267 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.580 -5.553 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.006 -7.008 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.708 -6.883 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.924 -8.480 5.704 1.00 0.00 H new ATOM 359 N CYS A 28 -11.562 -5.267 3.232 1.00 0.00 N ATOM 360 CA CYS A 28 -10.523 -4.264 3.030 1.00 0.00 C ATOM 361 C CYS A 28 -9.430 -4.393 4.087 1.00 0.00 C ATOM 362 O CYS A 28 -9.682 -4.221 5.280 1.00 0.00 O ATOM 363 CB CYS A 28 -11.126 -2.859 3.073 1.00 0.00 C ATOM 364 SG CYS A 28 -10.000 -1.548 2.496 1.00 0.00 S ATOM 0 H CYS A 28 -12.509 -4.891 3.270 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.077 -4.431 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.028 -2.844 2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.431 -2.637 4.096 1.00 0.00 H new ATOM 369 N ASP A 29 -8.216 -4.697 3.641 1.00 0.00 N ATOM 370 CA ASP A 29 -7.084 -4.847 4.547 1.00 0.00 C ATOM 371 C ASP A 29 -6.595 -3.488 5.037 1.00 0.00 C ATOM 372 O ASP A 29 -5.622 -3.398 5.786 1.00 0.00 O ATOM 373 CB ASP A 29 -5.943 -5.594 3.853 1.00 0.00 C ATOM 374 CG ASP A 29 -4.985 -6.233 4.839 1.00 0.00 C ATOM 375 OD1 ASP A 29 -4.060 -5.535 5.306 1.00 0.00 O ATOM 376 OD2 ASP A 29 -5.161 -7.431 5.145 1.00 0.00 O ATOM 0 H ASP A 29 -7.991 -4.844 2.657 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.415 -5.426 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.359 -6.364 3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.394 -4.901 3.215 1.00 0.00 H new ATOM 381 N LYS A 30 -7.276 -2.431 4.608 1.00 0.00 N ATOM 382 CA LYS A 30 -6.913 -1.075 5.002 1.00 0.00 C ATOM 383 C LYS A 30 -7.779 -0.594 6.162 1.00 0.00 C ATOM 384 O LYS A 30 -7.267 -0.183 7.204 1.00 0.00 O ATOM 385 CB LYS A 30 -7.057 -0.120 3.814 1.00 0.00 C ATOM 386 CG LYS A 30 -6.666 1.312 4.134 1.00 0.00 C ATOM 387 CD LYS A 30 -5.244 1.614 3.693 1.00 0.00 C ATOM 388 CE LYS A 30 -4.767 2.956 4.228 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.481 4.094 3.587 1.00 0.00 N ATOM 0 H LYS A 30 -8.083 -2.487 3.987 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.873 -1.085 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.440 -0.481 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.091 -0.137 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.354 1.997 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.760 1.485 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.578 0.825 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.192 1.616 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.920 2.992 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.695 3.056 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.933 4.968 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.591 3.906 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.419 4.204 4.022 1.00 0.00 H new ATOM 403 N CYS A 31 -9.094 -0.650 5.975 1.00 0.00 N ATOM 404 CA CYS A 31 -10.032 -0.222 7.006 1.00 0.00 C ATOM 405 C CYS A 31 -10.822 -1.409 7.549 1.00 0.00 C ATOM 406 O CYS A 31 -11.821 -1.237 8.246 1.00 0.00 O ATOM 407 CB CYS A 31 -10.991 0.830 6.446 1.00 0.00 C ATOM 408 SG CYS A 31 -12.118 0.199 5.161 1.00 0.00 S ATOM 0 H CYS A 31 -9.534 -0.988 5.119 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.460 0.216 7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.583 1.239 7.265 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.409 1.653 6.031 1.00 0.00 H new ATOM 413 N GLY A 32 -10.365 -2.615 7.225 1.00 0.00 N ATOM 414 CA GLY A 32 -11.040 -3.813 7.689 1.00 0.00 C ATOM 415 C GLY A 32 -12.549 -3.675 7.663 1.00 0.00 C ATOM 416 O GLY A 32 -13.230 -4.041 8.621 1.00 0.00 O ATOM 0 H GLY A 32 -9.540 -2.784 6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.745 -4.657 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.716 -4.038 8.705 1.00 0.00 H new ATOM 420 N SER A 33 -13.074 -3.144 6.563 1.00 0.00 N ATOM 421 CA SER A 33 -14.513 -2.954 6.418 1.00 0.00 C ATOM 422 C SER A 33 -15.035 -3.680 5.181 1.00 0.00 C ATOM 423 O SER A 33 -14.507 -3.516 4.082 1.00 0.00 O ATOM 424 CB SER A 33 -14.844 -1.463 6.326 1.00 0.00 C ATOM 425 OG SER A 33 -16.121 -1.190 6.876 1.00 0.00 O ATOM 0 H SER A 33 -12.525 -2.838 5.760 1.00 0.00 H new ATOM 0 HA SER A 33 -15.001 -3.374 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.086 -0.886 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.818 -1.145 5.284 1.00 0.00 H new ATOM 0 HG SER A 33 -16.309 -0.231 6.807 1.00 0.00 H new ATOM 431 N GLY A 34 -16.077 -4.484 5.371 1.00 0.00 N ATOM 432 CA GLY A 34 -16.654 -5.223 4.264 1.00 0.00 C ATOM 433 C GLY A 34 -16.704 -4.409 2.986 1.00 0.00 C ATOM 434 O GLY A 34 -16.997 -3.214 3.015 1.00 0.00 O ATOM 0 H GLY A 34 -16.531 -4.636 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.071 -6.128 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.663 -5.539 4.529 1.00 0.00 H new ATOM 438 N ILE A 35 -16.414 -5.057 1.862 1.00 0.00 N ATOM 439 CA ILE A 35 -16.427 -4.385 0.569 1.00 0.00 C ATOM 440 C ILE A 35 -17.589 -4.869 -0.291 1.00 0.00 C ATOM 441 O ILE A 35 -17.644 -6.037 -0.679 1.00 0.00 O ATOM 442 CB ILE A 35 -15.109 -4.609 -0.195 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.915 -4.208 0.674 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.111 -3.823 -1.498 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.629 -4.909 0.296 1.00 0.00 C ATOM 0 H ILE A 35 -16.167 -6.046 1.821 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.545 -3.320 0.768 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.021 -5.669 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.767 -3.131 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.145 -4.427 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.173 -3.992 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.942 -4.153 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.219 -2.760 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.826 -4.576 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.758 -5.986 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.374 -4.670 -0.737 1.00 0.00 H new ATOM 457 N VAL A 36 -18.517 -3.964 -0.588 1.00 0.00 N ATOM 458 CA VAL A 36 -19.677 -4.298 -1.405 1.00 0.00 C ATOM 459 C VAL A 36 -20.045 -3.147 -2.334 1.00 0.00 C ATOM 460 O VAL A 36 -20.464 -2.081 -1.883 1.00 0.00 O ATOM 461 CB VAL A 36 -20.896 -4.649 -0.532 1.00 0.00 C ATOM 462 CG1 VAL A 36 -22.106 -4.955 -1.402 1.00 0.00 C ATOM 463 CG2 VAL A 36 -20.577 -5.821 0.383 1.00 0.00 C ATOM 0 H VAL A 36 -18.487 -2.994 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.404 -5.169 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 36 -21.135 -3.787 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -22.958 -5.201 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -22.347 -4.083 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.882 -5.801 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -21.450 -6.055 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -20.311 -6.690 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.741 -5.559 1.032 1.00 0.00 H new ATOM 473 N GLY A 37 -19.885 -3.369 -3.635 1.00 0.00 N ATOM 474 CA GLY A 37 -20.206 -2.341 -4.608 1.00 0.00 C ATOM 475 C GLY A 37 -19.029 -2.001 -5.502 1.00 0.00 C ATOM 476 O GLY A 37 -19.162 -1.960 -6.724 1.00 0.00 O ATOM 0 H GLY A 37 -19.539 -4.242 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.041 -2.676 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.534 -1.442 -4.087 1.00 0.00 H new ATOM 480 N ALA A 38 -17.875 -1.756 -4.890 1.00 0.00 N ATOM 481 CA ALA A 38 -16.671 -1.419 -5.639 1.00 0.00 C ATOM 482 C ALA A 38 -15.416 -1.721 -4.826 1.00 0.00 C ATOM 483 O ALA A 38 -15.274 -1.265 -3.692 1.00 0.00 O ATOM 484 CB ALA A 38 -16.696 0.046 -6.047 1.00 0.00 C ATOM 0 H ALA A 38 -17.749 -1.785 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.648 -2.035 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.791 0.284 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.568 0.235 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.747 0.671 -5.156 1.00 0.00 H new ATOM 490 N VAL A 39 -14.509 -2.495 -5.413 1.00 0.00 N ATOM 491 CA VAL A 39 -13.266 -2.858 -4.743 1.00 0.00 C ATOM 492 C VAL A 39 -12.081 -2.772 -5.698 1.00 0.00 C ATOM 493 O VAL A 39 -12.255 -2.694 -6.915 1.00 0.00 O ATOM 494 CB VAL A 39 -13.338 -4.282 -4.160 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.234 -5.319 -5.267 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.245 -4.488 -3.121 1.00 0.00 C ATOM 0 H VAL A 39 -14.612 -2.883 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.126 -2.146 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.303 -4.406 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.287 -6.319 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.055 -5.184 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.285 -5.199 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.311 -5.499 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.270 -4.345 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.371 -3.768 -2.313 1.00 0.00 H new ATOM 506 N VAL A 40 -10.875 -2.787 -5.140 1.00 0.00 N ATOM 507 CA VAL A 40 -9.660 -2.712 -5.942 1.00 0.00 C ATOM 508 C VAL A 40 -8.650 -3.769 -5.510 1.00 0.00 C ATOM 509 O VAL A 40 -7.968 -3.616 -4.497 1.00 0.00 O ATOM 510 CB VAL A 40 -9.005 -1.321 -5.840 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.738 -1.265 -6.680 1.00 0.00 C ATOM 512 CG2 VAL A 40 -9.985 -0.239 -6.267 1.00 0.00 C ATOM 0 H VAL A 40 -10.713 -2.850 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.952 -2.894 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.731 -1.142 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.289 -0.275 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.032 -2.015 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.984 -1.464 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.506 0.737 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.291 -0.412 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.862 -0.266 -5.620 1.00 0.00 H new ATOM 522 N LYS A 41 -8.559 -4.844 -6.286 1.00 0.00 N ATOM 523 CA LYS A 41 -7.632 -5.928 -5.987 1.00 0.00 C ATOM 524 C LYS A 41 -6.433 -5.894 -6.929 1.00 0.00 C ATOM 525 O LYS A 41 -6.589 -5.925 -8.150 1.00 0.00 O ATOM 526 CB LYS A 41 -8.342 -7.279 -6.097 1.00 0.00 C ATOM 527 CG LYS A 41 -7.458 -8.389 -6.639 1.00 0.00 C ATOM 528 CD LYS A 41 -8.282 -9.528 -7.216 1.00 0.00 C ATOM 529 CE LYS A 41 -7.531 -10.848 -7.152 1.00 0.00 C ATOM 530 NZ LYS A 41 -7.420 -11.356 -5.756 1.00 0.00 N ATOM 0 H LYS A 41 -9.117 -4.987 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.274 -5.795 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.710 -7.567 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.213 -7.171 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.800 -7.988 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.819 -8.769 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.219 -9.615 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.539 -9.304 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.043 -11.587 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.533 -10.719 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.040 -12.324 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.782 -10.740 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.360 -11.359 -5.312 1.00 0.00 H new ATOM 544 N ALA A 42 -5.236 -5.832 -6.355 1.00 0.00 N ATOM 545 CA ALA A 42 -4.010 -5.798 -7.143 1.00 0.00 C ATOM 546 C ALA A 42 -3.596 -7.201 -7.575 1.00 0.00 C ATOM 547 O ALA A 42 -3.884 -7.627 -8.693 1.00 0.00 O ATOM 548 CB ALA A 42 -2.892 -5.135 -6.353 1.00 0.00 C ATOM 0 H ALA A 42 -5.089 -5.804 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.201 -5.211 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.983 -5.117 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.180 -4.115 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.710 -5.698 -5.437 1.00 0.00 H new ATOM 554 N ARG A 43 -2.917 -7.913 -6.681 1.00 0.00 N ATOM 555 CA ARG A 43 -2.461 -9.267 -6.971 1.00 0.00 C ATOM 556 C ARG A 43 -3.396 -10.300 -6.349 1.00 0.00 C ATOM 557 O ARG A 43 -4.219 -10.902 -7.039 1.00 0.00 O ATOM 558 CB ARG A 43 -1.038 -9.472 -6.449 1.00 0.00 C ATOM 559 CG ARG A 43 -0.219 -10.447 -7.278 1.00 0.00 C ATOM 560 CD ARG A 43 1.273 -10.208 -7.107 1.00 0.00 C ATOM 561 NE ARG A 43 2.064 -10.984 -8.059 1.00 0.00 N ATOM 562 CZ ARG A 43 3.269 -10.619 -8.482 1.00 0.00 C ATOM 563 NH1 ARG A 43 3.819 -9.496 -8.040 1.00 0.00 N ATOM 564 NH2 ARG A 43 3.927 -11.378 -9.349 1.00 0.00 N ATOM 0 H ARG A 43 -2.671 -7.575 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.466 -9.401 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.527 -8.510 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.086 -9.833 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.461 -11.468 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.486 -10.346 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.488 -9.147 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.568 -10.471 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 43 1.670 -11.853 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.316 -8.910 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.745 -9.218 -8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.507 -12.242 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.852 -11.097 -9.673 1.00 0.00 H new ATOM 578 N ASP A 44 -3.262 -10.501 -5.043 1.00 0.00 N ATOM 579 CA ASP A 44 -4.095 -11.461 -4.327 1.00 0.00 C ATOM 580 C ASP A 44 -4.938 -10.763 -3.264 1.00 0.00 C ATOM 581 O ASP A 44 -6.000 -11.252 -2.879 1.00 0.00 O ATOM 582 CB ASP A 44 -3.225 -12.539 -3.679 1.00 0.00 C ATOM 583 CG ASP A 44 -3.974 -13.842 -3.476 1.00 0.00 C ATOM 584 OD1 ASP A 44 -4.927 -13.859 -2.668 1.00 0.00 O ATOM 585 OD2 ASP A 44 -3.608 -14.844 -4.124 1.00 0.00 O ATOM 0 H ASP A 44 -2.584 -10.012 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.766 -11.930 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.350 -12.720 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.861 -12.179 -2.717 1.00 0.00 H new ATOM 590 N LYS A 45 -4.457 -9.617 -2.793 1.00 0.00 N ATOM 591 CA LYS A 45 -5.165 -8.851 -1.775 1.00 0.00 C ATOM 592 C LYS A 45 -6.170 -7.897 -2.412 1.00 0.00 C ATOM 593 O LYS A 45 -6.114 -7.634 -3.614 1.00 0.00 O ATOM 594 CB LYS A 45 -4.171 -8.063 -0.917 1.00 0.00 C ATOM 595 CG LYS A 45 -3.609 -8.859 0.248 1.00 0.00 C ATOM 596 CD LYS A 45 -3.277 -7.962 1.428 1.00 0.00 C ATOM 597 CE LYS A 45 -2.094 -7.055 1.122 1.00 0.00 C ATOM 598 NZ LYS A 45 -1.349 -6.680 2.356 1.00 0.00 N ATOM 0 H LYS A 45 -3.579 -9.199 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.708 -9.552 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.348 -7.726 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.664 -7.170 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.332 -9.614 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.711 -9.389 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.146 -7.355 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.051 -8.575 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.420 -7.559 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.448 -6.153 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.445 -6.237 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.915 -6.009 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.166 -7.532 2.923 1.00 0.00 H new ATOM 612 N TYR A 46 -7.086 -7.381 -1.601 1.00 0.00 N ATOM 613 CA TYR A 46 -8.104 -6.457 -2.086 1.00 0.00 C ATOM 614 C TYR A 46 -8.093 -5.162 -1.280 1.00 0.00 C ATOM 615 O TYR A 46 -7.764 -5.159 -0.093 1.00 0.00 O ATOM 616 CB TYR A 46 -9.488 -7.105 -2.013 1.00 0.00 C ATOM 617 CG TYR A 46 -9.607 -8.372 -2.828 1.00 0.00 C ATOM 618 CD1 TYR A 46 -8.842 -9.492 -2.524 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.483 -8.450 -3.904 1.00 0.00 C ATOM 620 CE1 TYR A 46 -8.947 -10.652 -3.267 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.596 -9.606 -4.651 1.00 0.00 C ATOM 622 CZ TYR A 46 -9.825 -10.704 -4.329 1.00 0.00 C ATOM 623 OH TYR A 46 -9.934 -11.858 -5.072 1.00 0.00 O ATOM 0 H TYR A 46 -7.145 -7.587 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.876 -6.219 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.720 -7.330 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.234 -6.389 -2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.154 -9.455 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.086 -7.592 -4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.345 -11.513 -3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.284 -9.650 -5.482 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.597 -11.729 -5.782 1.00 0.00 H new ATOM 633 N ARG A 47 -8.455 -4.063 -1.933 1.00 0.00 N ATOM 634 CA ARG A 47 -8.487 -2.760 -1.279 1.00 0.00 C ATOM 635 C ARG A 47 -9.582 -1.879 -1.874 1.00 0.00 C ATOM 636 O ARG A 47 -9.810 -1.887 -3.084 1.00 0.00 O ATOM 637 CB ARG A 47 -7.131 -2.066 -1.411 1.00 0.00 C ATOM 638 CG ARG A 47 -5.986 -2.839 -0.777 1.00 0.00 C ATOM 639 CD ARG A 47 -5.861 -2.532 0.707 1.00 0.00 C ATOM 640 NE ARG A 47 -4.719 -3.211 1.312 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.524 -2.650 1.460 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.317 -1.406 1.050 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.534 -3.332 2.021 1.00 0.00 N ATOM 0 H ARG A 47 -8.730 -4.049 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.706 -2.917 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.913 -1.912 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.191 -1.080 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.146 -3.908 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.053 -2.588 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.759 -1.456 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.775 -2.835 1.218 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.846 -4.169 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.076 -0.878 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.399 -0.977 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.690 -4.288 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.617 -2.900 2.134 1.00 0.00 H new ATOM 657 N HIS A 48 -10.256 -1.121 -1.015 1.00 0.00 N ATOM 658 CA HIS A 48 -11.327 -0.234 -1.456 1.00 0.00 C ATOM 659 C HIS A 48 -10.840 0.698 -2.562 1.00 0.00 C ATOM 660 O HIS A 48 -9.641 0.882 -2.768 1.00 0.00 O ATOM 661 CB HIS A 48 -11.856 0.585 -0.279 1.00 0.00 C ATOM 662 CG HIS A 48 -12.987 -0.074 0.449 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.089 -0.090 1.824 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.070 -0.740 -0.015 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.185 -0.740 2.175 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.799 -1.144 1.077 1.00 0.00 N ATOM 0 H HIS A 48 -10.080 -1.103 -0.010 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.135 -0.849 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.041 0.767 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.187 1.558 -0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.315 -0.920 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.521 -0.912 3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.672 -1.670 1.045 1.00 0.00 H new ATOM 674 N PRO A 49 -11.792 1.300 -3.291 1.00 0.00 N ATOM 675 CA PRO A 49 -11.484 2.222 -4.387 1.00 0.00 C ATOM 676 C PRO A 49 -10.895 3.538 -3.890 1.00 0.00 C ATOM 677 O PRO A 49 -10.395 4.341 -4.678 1.00 0.00 O ATOM 678 CB PRO A 49 -12.846 2.460 -5.044 1.00 0.00 C ATOM 679 CG PRO A 49 -13.838 2.205 -3.962 1.00 0.00 C ATOM 680 CD PRO A 49 -13.242 1.126 -3.100 1.00 0.00 C ATOM 0 HA PRO A 49 -10.734 1.813 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.929 3.478 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.001 1.789 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.024 3.109 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.795 1.889 -4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.527 1.244 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.572 0.135 -3.411 1.00 0.00 H new ATOM 688 N GLU A 50 -10.957 3.751 -2.580 1.00 0.00 N ATOM 689 CA GLU A 50 -10.429 4.970 -1.979 1.00 0.00 C ATOM 690 C GLU A 50 -9.297 4.652 -1.006 1.00 0.00 C ATOM 691 O GLU A 50 -8.413 5.477 -0.774 1.00 0.00 O ATOM 692 CB GLU A 50 -11.541 5.730 -1.253 1.00 0.00 C ATOM 693 CG GLU A 50 -12.011 5.050 0.022 1.00 0.00 C ATOM 694 CD GLU A 50 -13.339 5.592 0.516 1.00 0.00 C ATOM 695 OE1 GLU A 50 -14.311 5.587 -0.267 1.00 0.00 O ATOM 696 OE2 GLU A 50 -13.404 6.021 1.688 1.00 0.00 O ATOM 0 H GLU A 50 -11.367 3.096 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.032 5.596 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.187 6.732 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.390 5.846 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.103 3.978 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.258 5.181 0.799 1.00 0.00 H new ATOM 703 N CYS A 51 -9.332 3.451 -0.440 1.00 0.00 N ATOM 704 CA CYS A 51 -8.311 3.022 0.508 1.00 0.00 C ATOM 705 C CYS A 51 -6.994 2.730 -0.205 1.00 0.00 C ATOM 706 O CYS A 51 -5.915 2.978 0.334 1.00 0.00 O ATOM 707 CB CYS A 51 -8.780 1.778 1.266 1.00 0.00 C ATOM 708 SG CYS A 51 -10.144 2.088 2.432 1.00 0.00 S ATOM 0 H CYS A 51 -10.057 2.757 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.147 3.832 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.097 1.024 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.936 1.360 1.814 1.00 0.00 H new ATOM 713 N PHE A 52 -7.090 2.202 -1.421 1.00 0.00 N ATOM 714 CA PHE A 52 -5.907 1.875 -2.209 1.00 0.00 C ATOM 715 C PHE A 52 -4.968 3.074 -2.301 1.00 0.00 C ATOM 716 O PHE A 52 -5.205 4.006 -3.070 1.00 0.00 O ATOM 717 CB PHE A 52 -6.313 1.422 -3.613 1.00 0.00 C ATOM 718 CG PHE A 52 -5.369 0.420 -4.215 1.00 0.00 C ATOM 719 CD1 PHE A 52 -4.937 -0.673 -3.481 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.915 0.571 -5.515 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.068 -1.595 -4.032 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.046 -0.349 -6.072 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.623 -1.434 -5.330 1.00 0.00 C ATOM 0 H PHE A 52 -7.975 1.991 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.381 1.061 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.312 0.989 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.370 2.293 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.284 -0.806 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.244 1.417 -6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.737 -2.441 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.698 -0.219 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.946 -2.155 -5.763 1.00 0.00 H new ATOM 733 N VAL A 53 -3.899 3.043 -1.510 1.00 0.00 N ATOM 734 CA VAL A 53 -2.923 4.126 -1.502 1.00 0.00 C ATOM 735 C VAL A 53 -1.588 3.657 -0.933 1.00 0.00 C ATOM 736 O VAL A 53 -1.473 2.539 -0.431 1.00 0.00 O ATOM 737 CB VAL A 53 -3.425 5.328 -0.681 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.770 5.808 -1.204 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.515 4.965 0.794 1.00 0.00 C ATOM 0 H VAL A 53 -3.688 2.280 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.785 4.436 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.709 6.143 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.109 6.658 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.668 6.110 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.498 5.001 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.871 5.826 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.209 4.134 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.529 4.675 1.158 1.00 0.00 H new ATOM 749 N CYS A 54 -0.581 4.520 -1.015 1.00 0.00 N ATOM 750 CA CYS A 54 0.747 4.196 -0.508 1.00 0.00 C ATOM 751 C CYS A 54 0.737 4.084 1.014 1.00 0.00 C ATOM 752 O CYS A 54 -0.217 4.500 1.670 1.00 0.00 O ATOM 753 CB CYS A 54 1.756 5.261 -0.945 1.00 0.00 C ATOM 754 SG CYS A 54 3.493 4.810 -0.634 1.00 0.00 S ATOM 0 H CYS A 54 -0.659 5.449 -1.428 1.00 0.00 H new ATOM 0 HA CYS A 54 1.042 3.232 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.627 5.454 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.534 6.192 -0.423 1.00 0.00 H new ATOM 759 N ALA A 55 1.804 3.519 1.567 1.00 0.00 N ATOM 760 CA ALA A 55 1.920 3.353 3.011 1.00 0.00 C ATOM 761 C ALA A 55 2.889 4.370 3.604 1.00 0.00 C ATOM 762 O ALA A 55 3.131 4.380 4.811 1.00 0.00 O ATOM 763 CB ALA A 55 2.366 1.938 3.346 1.00 0.00 C ATOM 0 H ALA A 55 2.602 3.168 1.037 1.00 0.00 H new ATOM 0 HA ALA A 55 0.938 3.526 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.448 1.829 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.634 1.226 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.335 1.744 2.887 1.00 0.00 H new ATOM 769 N ASP A 56 3.441 5.223 2.749 1.00 0.00 N ATOM 770 CA ASP A 56 4.384 6.245 3.189 1.00 0.00 C ATOM 771 C ASP A 56 3.842 7.643 2.906 1.00 0.00 C ATOM 772 O ASP A 56 3.995 8.555 3.718 1.00 0.00 O ATOM 773 CB ASP A 56 5.733 6.057 2.493 1.00 0.00 C ATOM 774 CG ASP A 56 6.888 6.595 3.316 1.00 0.00 C ATOM 775 OD1 ASP A 56 7.289 5.921 4.288 1.00 0.00 O ATOM 776 OD2 ASP A 56 7.391 7.689 2.986 1.00 0.00 O ATOM 0 H ASP A 56 3.252 5.227 1.747 1.00 0.00 H new ATOM 0 HA ASP A 56 4.521 6.139 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.893 4.997 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.713 6.561 1.526 1.00 0.00 H new ATOM 781 N CYS A 57 3.209 7.803 1.749 1.00 0.00 N ATOM 782 CA CYS A 57 2.646 9.090 1.357 1.00 0.00 C ATOM 783 C CYS A 57 1.132 8.992 1.190 1.00 0.00 C ATOM 784 O CYS A 57 0.439 10.006 1.120 1.00 0.00 O ATOM 785 CB CYS A 57 3.284 9.574 0.053 1.00 0.00 C ATOM 786 SG CYS A 57 3.180 8.376 -1.315 1.00 0.00 S ATOM 0 H CYS A 57 3.073 7.058 1.066 1.00 0.00 H new ATOM 0 HA CYS A 57 2.862 9.809 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.800 10.502 -0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.332 9.807 0.239 1.00 0.00 H new ATOM 791 N ASN A 58 0.627 7.764 1.126 1.00 0.00 N ATOM 792 CA ASN A 58 -0.804 7.534 0.966 1.00 0.00 C ATOM 793 C ASN A 58 -1.291 8.052 -0.383 1.00 0.00 C ATOM 794 O ASN A 58 -2.336 8.698 -0.472 1.00 0.00 O ATOM 795 CB ASN A 58 -1.580 8.213 2.096 1.00 0.00 C ATOM 796 CG ASN A 58 -2.892 7.515 2.398 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.926 6.521 3.124 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.980 8.033 1.841 1.00 0.00 N ATOM 0 H ASN A 58 1.187 6.914 1.182 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.981 6.459 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.965 8.230 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.777 9.250 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.891 7.606 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.905 8.858 1.246 1.00 0.00 H new ATOM 805 N LEU A 59 -0.528 7.763 -1.432 1.00 0.00 N ATOM 806 CA LEU A 59 -0.882 8.198 -2.779 1.00 0.00 C ATOM 807 C LEU A 59 -1.754 7.159 -3.475 1.00 0.00 C ATOM 808 O LEU A 59 -1.483 5.961 -3.408 1.00 0.00 O ATOM 809 CB LEU A 59 0.382 8.454 -3.602 1.00 0.00 C ATOM 810 CG LEU A 59 0.323 9.634 -4.573 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.708 9.946 -5.118 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.646 9.342 -5.709 1.00 0.00 C ATOM 0 H LEU A 59 0.339 7.229 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.449 9.125 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.212 8.616 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.610 7.552 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.037 10.508 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.647 10.788 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.375 10.199 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.097 9.074 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.675 10.193 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.316 8.455 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.642 9.169 -5.302 1.00 0.00 H new ATOM 824 N ASN A 60 -2.802 7.627 -4.146 1.00 0.00 N ATOM 825 CA ASN A 60 -3.714 6.739 -4.857 1.00 0.00 C ATOM 826 C ASN A 60 -2.973 5.943 -5.928 1.00 0.00 C ATOM 827 O ASN A 60 -2.618 6.478 -6.979 1.00 0.00 O ATOM 828 CB ASN A 60 -4.848 7.542 -5.496 1.00 0.00 C ATOM 829 CG ASN A 60 -5.889 7.978 -4.483 1.00 0.00 C ATOM 830 OD1 ASN A 60 -5.937 9.143 -4.088 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.729 7.042 -4.058 1.00 0.00 N ATOM 0 H ASN A 60 -3.040 8.617 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.136 6.039 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.434 8.422 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.326 6.939 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.451 7.276 -3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.652 6.089 -4.413 1.00 0.00 H new ATOM 838 N LEU A 61 -2.744 4.664 -5.654 1.00 0.00 N ATOM 839 CA LEU A 61 -2.046 3.793 -6.594 1.00 0.00 C ATOM 840 C LEU A 61 -3.015 3.210 -7.618 1.00 0.00 C ATOM 841 O LEU A 61 -2.601 2.687 -8.653 1.00 0.00 O ATOM 842 CB LEU A 61 -1.338 2.664 -5.844 1.00 0.00 C ATOM 843 CG LEU A 61 -0.491 3.084 -4.643 1.00 0.00 C ATOM 844 CD1 LEU A 61 0.081 1.863 -3.940 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.625 4.022 -5.079 1.00 0.00 C ATOM 0 H LEU A 61 -3.031 4.206 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.304 4.391 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.091 1.954 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.697 2.134 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.132 3.616 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.681 2.182 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.734 1.228 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.707 1.303 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.218 4.311 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.264 3.516 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.194 4.913 -5.536 1.00 0.00 H new ATOM 857 N LYS A 62 -4.307 3.304 -7.323 1.00 0.00 N ATOM 858 CA LYS A 62 -5.336 2.790 -8.219 1.00 0.00 C ATOM 859 C LYS A 62 -4.962 3.035 -9.677 1.00 0.00 C ATOM 860 O LYS A 62 -4.735 2.093 -10.435 1.00 0.00 O ATOM 861 CB LYS A 62 -6.684 3.445 -7.910 1.00 0.00 C ATOM 862 CG LYS A 62 -7.728 3.229 -8.992 1.00 0.00 C ATOM 863 CD LYS A 62 -8.364 1.853 -8.886 1.00 0.00 C ATOM 864 CE LYS A 62 -8.854 1.360 -10.239 1.00 0.00 C ATOM 865 NZ LYS A 62 -9.740 0.171 -10.109 1.00 0.00 N ATOM 0 H LYS A 62 -4.667 3.732 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.416 1.715 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.063 3.050 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.535 4.516 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.500 3.995 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.266 3.343 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.640 1.146 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.199 1.890 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.394 2.161 -10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.998 1.108 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.052 -0.134 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.218 -0.603 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.570 0.418 -9.533 1.00 0.00 H new ATOM 879 N GLN A 63 -4.898 4.306 -10.060 1.00 0.00 N ATOM 880 CA GLN A 63 -4.550 4.674 -11.428 1.00 0.00 C ATOM 881 C GLN A 63 -3.054 4.503 -11.673 1.00 0.00 C ATOM 882 O GLN A 63 -2.637 4.053 -12.741 1.00 0.00 O ATOM 883 CB GLN A 63 -4.962 6.120 -11.710 1.00 0.00 C ATOM 884 CG GLN A 63 -4.572 7.091 -10.607 1.00 0.00 C ATOM 885 CD GLN A 63 -4.430 8.515 -11.106 1.00 0.00 C ATOM 886 OE1 GLN A 63 -3.375 9.133 -10.961 1.00 0.00 O ATOM 887 NE2 GLN A 63 -5.494 9.044 -11.699 1.00 0.00 N ATOM 0 H GLN A 63 -5.082 5.097 -9.444 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.089 4.011 -12.105 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.505 6.443 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.042 6.160 -11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.324 7.060 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.630 6.770 -10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.348 8.495 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.457 9.999 -12.056 1.00 0.00 H new ATOM 896 N LYS A 64 -2.251 4.864 -10.679 1.00 0.00 N ATOM 897 CA LYS A 64 -0.801 4.750 -10.785 1.00 0.00 C ATOM 898 C LYS A 64 -0.363 3.291 -10.710 1.00 0.00 C ATOM 899 O LYS A 64 -1.187 2.394 -10.536 1.00 0.00 O ATOM 900 CB LYS A 64 -0.123 5.555 -9.675 1.00 0.00 C ATOM 901 CG LYS A 64 -0.314 7.056 -9.807 1.00 0.00 C ATOM 902 CD LYS A 64 0.501 7.816 -8.775 1.00 0.00 C ATOM 903 CE LYS A 64 0.379 9.320 -8.965 1.00 0.00 C ATOM 904 NZ LYS A 64 -1.033 9.781 -8.854 1.00 0.00 N ATOM 0 H LYS A 64 -2.580 5.239 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.500 5.152 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.516 5.231 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.944 5.332 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.022 7.374 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.370 7.301 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.165 7.546 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.548 7.523 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.987 9.831 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.775 9.596 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.054 10.747 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.476 9.773 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.557 9.145 -8.220 1.00 0.00 H new ATOM 918 N GLY A 65 0.940 3.061 -10.839 1.00 0.00 N ATOM 919 CA GLY A 65 1.464 1.709 -10.782 1.00 0.00 C ATOM 920 C GLY A 65 1.707 1.242 -9.360 1.00 0.00 C ATOM 921 O GLY A 65 2.697 1.624 -8.735 1.00 0.00 O ATOM 0 H GLY A 65 1.642 3.787 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.764 1.030 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.398 1.660 -11.342 1.00 0.00 H new ATOM 925 N TYR A 66 0.803 0.415 -8.848 1.00 0.00 N ATOM 926 CA TYR A 66 0.922 -0.102 -7.490 1.00 0.00 C ATOM 927 C TYR A 66 2.140 -1.011 -7.357 1.00 0.00 C ATOM 928 O TYR A 66 2.701 -1.467 -8.354 1.00 0.00 O ATOM 929 CB TYR A 66 -0.344 -0.867 -7.100 1.00 0.00 C ATOM 930 CG TYR A 66 -0.426 -2.250 -7.706 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.185 -3.336 -7.093 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.117 -2.470 -8.891 1.00 0.00 C ATOM 933 CE1 TYR A 66 0.113 -4.601 -7.644 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.196 -3.731 -9.448 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.579 -4.794 -8.821 1.00 0.00 C ATOM 936 OH TYR A 66 -0.655 -6.052 -9.372 1.00 0.00 O ATOM 0 H TYR A 66 -0.021 0.088 -9.353 1.00 0.00 H new ATOM 0 HA TYR A 66 1.049 0.745 -6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.387 -0.952 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.216 -0.291 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.726 -3.189 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.601 -1.640 -9.385 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.596 -5.434 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.738 -3.884 -10.370 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.179 -6.016 -10.199 1.00 0.00 H new ATOM 946 N PHE A 67 2.544 -1.271 -6.118 1.00 0.00 N ATOM 947 CA PHE A 67 3.696 -2.125 -5.853 1.00 0.00 C ATOM 948 C PHE A 67 3.415 -3.071 -4.690 1.00 0.00 C ATOM 949 O PHE A 67 2.346 -3.025 -4.082 1.00 0.00 O ATOM 950 CB PHE A 67 4.930 -1.273 -5.546 1.00 0.00 C ATOM 951 CG PHE A 67 5.712 -0.888 -6.770 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.139 -0.099 -7.754 1.00 0.00 C ATOM 953 CD2 PHE A 67 7.019 -1.315 -6.935 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.856 0.257 -8.881 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.741 -0.962 -8.059 1.00 0.00 C ATOM 956 CZ PHE A 67 7.159 -0.175 -9.034 1.00 0.00 C ATOM 0 H PHE A 67 2.091 -0.903 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 67 3.888 -2.721 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.617 -0.368 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.581 -1.823 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.121 0.242 -7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.479 -1.931 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.398 0.872 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.760 -1.301 -8.175 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.721 0.102 -9.914 1.00 0.00 H new ATOM 966 N PHE A 68 4.384 -3.929 -4.386 1.00 0.00 N ATOM 967 CA PHE A 68 4.241 -4.888 -3.296 1.00 0.00 C ATOM 968 C PHE A 68 5.592 -5.184 -2.652 1.00 0.00 C ATOM 969 O PHE A 68 6.401 -5.936 -3.196 1.00 0.00 O ATOM 970 CB PHE A 68 3.613 -6.185 -3.809 1.00 0.00 C ATOM 971 CG PHE A 68 2.114 -6.205 -3.712 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.486 -6.153 -2.479 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.334 -6.277 -4.855 1.00 0.00 C ATOM 974 CE1 PHE A 68 0.107 -6.171 -2.386 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.045 -6.295 -4.768 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.659 -6.243 -3.532 1.00 0.00 C ATOM 0 H PHE A 68 5.276 -3.980 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 68 3.587 -4.449 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.904 -6.333 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.017 -7.024 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.081 -6.098 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.809 -6.319 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.370 -6.129 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.642 -6.350 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.737 -6.259 -3.462 1.00 0.00 H new ATOM 986 N VAL A 69 5.830 -4.586 -1.489 1.00 0.00 N ATOM 987 CA VAL A 69 7.082 -4.784 -0.769 1.00 0.00 C ATOM 988 C VAL A 69 6.826 -5.132 0.693 1.00 0.00 C ATOM 989 O VAL A 69 6.176 -4.378 1.416 1.00 0.00 O ATOM 990 CB VAL A 69 7.975 -3.531 -0.838 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.338 -3.811 -0.224 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.116 -3.057 -2.276 1.00 0.00 C ATOM 0 H VAL A 69 5.172 -3.960 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 69 7.597 -5.614 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 69 7.501 -2.736 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.954 -2.914 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.215 -4.099 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.823 -4.621 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.750 -2.171 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.567 -3.847 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.132 -2.813 -2.677 1.00 0.00 H new ATOM 1002 N GLU A 70 7.343 -6.280 1.122 1.00 0.00 N ATOM 1003 CA GLU A 70 7.170 -6.728 2.499 1.00 0.00 C ATOM 1004 C GLU A 70 5.690 -6.817 2.860 1.00 0.00 C ATOM 1005 O GLU A 70 5.284 -6.443 3.959 1.00 0.00 O ATOM 1006 CB GLU A 70 7.884 -5.777 3.462 1.00 0.00 C ATOM 1007 CG GLU A 70 9.384 -5.691 3.232 1.00 0.00 C ATOM 1008 CD GLU A 70 10.153 -5.393 4.504 1.00 0.00 C ATOM 1009 OE1 GLU A 70 10.217 -4.209 4.894 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.692 -6.344 5.109 1.00 0.00 O ATOM 0 H GLU A 70 7.884 -6.916 0.536 1.00 0.00 H new ATOM 0 HA GLU A 70 7.609 -7.722 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.452 -4.781 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.700 -6.104 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.738 -6.632 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.591 -4.914 2.496 1.00 0.00 H new ATOM 1017 N GLY A 71 4.887 -7.314 1.924 1.00 0.00 N ATOM 1018 CA GLY A 71 3.461 -7.443 2.161 1.00 0.00 C ATOM 1019 C GLY A 71 2.773 -6.100 2.301 1.00 0.00 C ATOM 1020 O GLY A 71 1.659 -6.018 2.816 1.00 0.00 O ATOM 0 H GLY A 71 5.199 -7.630 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.008 -7.996 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.298 -8.028 3.066 1.00 0.00 H new ATOM 1024 N GLU A 72 3.439 -5.045 1.843 1.00 0.00 N ATOM 1025 CA GLU A 72 2.885 -3.699 1.922 1.00 0.00 C ATOM 1026 C GLU A 72 2.888 -3.027 0.552 1.00 0.00 C ATOM 1027 O GLU A 72 3.719 -3.338 -0.303 1.00 0.00 O ATOM 1028 CB GLU A 72 3.681 -2.853 2.919 1.00 0.00 C ATOM 1029 CG GLU A 72 3.097 -1.469 3.145 1.00 0.00 C ATOM 1030 CD GLU A 72 2.021 -1.457 4.213 1.00 0.00 C ATOM 1031 OE1 GLU A 72 0.943 -2.042 3.978 1.00 0.00 O ATOM 1032 OE2 GLU A 72 2.257 -0.862 5.286 1.00 0.00 O ATOM 0 H GLU A 72 4.363 -5.097 1.413 1.00 0.00 H new ATOM 0 HA GLU A 72 1.854 -3.779 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.728 -3.379 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.705 -2.752 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.895 -0.784 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.679 -1.098 2.209 1.00 0.00 H new ATOM 1039 N LEU A 73 1.954 -2.104 0.349 1.00 0.00 N ATOM 1040 CA LEU A 73 1.848 -1.388 -0.917 1.00 0.00 C ATOM 1041 C LEU A 73 2.649 -0.091 -0.878 1.00 0.00 C ATOM 1042 O LEU A 73 2.895 0.467 0.192 1.00 0.00 O ATOM 1043 CB LEU A 73 0.382 -1.086 -1.233 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.342 -2.112 -2.105 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.824 -2.152 -1.764 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.141 -1.795 -3.580 1.00 0.00 C ATOM 0 H LEU A 73 1.259 -1.834 1.045 1.00 0.00 H new ATOM 0 HA LEU A 73 2.259 -2.024 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.160 -0.992 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.330 -0.117 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 73 0.083 -3.095 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.323 -2.888 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.949 -2.427 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.264 -1.169 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.663 -2.536 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.539 -0.803 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.923 -1.819 -3.816 1.00 0.00 H new ATOM 1058 N TYR A 74 3.053 0.385 -2.050 1.00 0.00 N ATOM 1059 CA TYR A 74 3.827 1.616 -2.150 1.00 0.00 C ATOM 1060 C TYR A 74 3.748 2.197 -3.559 1.00 0.00 C ATOM 1061 O TYR A 74 3.497 1.478 -4.527 1.00 0.00 O ATOM 1062 CB TYR A 74 5.287 1.358 -1.775 1.00 0.00 C ATOM 1063 CG TYR A 74 5.488 1.043 -0.309 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.440 2.047 0.650 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.726 -0.258 0.115 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.624 1.763 1.990 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.910 -0.551 1.453 1.00 0.00 C ATOM 1068 CZ TYR A 74 5.859 0.463 2.386 1.00 0.00 C ATOM 1069 OH TYR A 74 6.042 0.177 3.720 1.00 0.00 O ATOM 0 H TYR A 74 2.857 -0.063 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 74 3.402 2.339 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.666 0.528 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.881 2.234 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.256 3.066 0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.768 -1.054 -0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.584 2.555 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.093 -1.568 1.766 1.00 0.00 H new ATOM 0 HH TYR A 74 6.195 -0.785 3.830 1.00 0.00 H new ATOM 1079 N CYS A 75 3.964 3.504 -3.666 1.00 0.00 N ATOM 1080 CA CYS A 75 3.918 4.183 -4.955 1.00 0.00 C ATOM 1081 C CYS A 75 5.179 3.898 -5.766 1.00 0.00 C ATOM 1082 O CYS A 75 6.173 3.408 -5.232 1.00 0.00 O ATOM 1083 CB CYS A 75 3.757 5.692 -4.754 1.00 0.00 C ATOM 1084 SG CYS A 75 5.072 6.452 -3.749 1.00 0.00 S ATOM 0 H CYS A 75 4.173 4.114 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 75 3.059 3.803 -5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.734 6.177 -5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.795 5.884 -4.279 1.00 0.00 H new ATOM 1089 N GLU A 76 5.129 4.210 -7.057 1.00 0.00 N ATOM 1090 CA GLU A 76 6.267 3.987 -7.941 1.00 0.00 C ATOM 1091 C GLU A 76 7.542 4.579 -7.346 1.00 0.00 C ATOM 1092 O GLU A 76 8.624 4.005 -7.472 1.00 0.00 O ATOM 1093 CB GLU A 76 6.000 4.600 -9.317 1.00 0.00 C ATOM 1094 CG GLU A 76 6.738 3.903 -10.448 1.00 0.00 C ATOM 1095 CD GLU A 76 6.880 4.777 -11.679 1.00 0.00 C ATOM 1096 OE1 GLU A 76 7.418 5.897 -11.553 1.00 0.00 O ATOM 1097 OE2 GLU A 76 6.452 4.340 -12.768 1.00 0.00 O ATOM 0 H GLU A 76 4.313 4.618 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 76 6.404 2.911 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.929 4.567 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.289 5.651 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.728 3.606 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.206 2.990 -10.715 1.00 0.00 H new ATOM 1104 N THR A 77 7.406 5.732 -6.698 1.00 0.00 N ATOM 1105 CA THR A 77 8.545 6.403 -6.086 1.00 0.00 C ATOM 1106 C THR A 77 9.087 5.602 -4.908 1.00 0.00 C ATOM 1107 O THR A 77 10.172 5.024 -4.984 1.00 0.00 O ATOM 1108 CB THR A 77 8.170 7.816 -5.601 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.720 8.609 -6.705 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.359 8.493 -4.936 1.00 0.00 C ATOM 0 H THR A 77 6.518 6.220 -6.584 1.00 0.00 H new ATOM 0 HA THR A 77 9.315 6.482 -6.854 1.00 0.00 H new ATOM 0 HB THR A 77 7.368 7.724 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.482 9.505 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.070 9.489 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.682 7.902 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.178 8.573 -5.650 1.00 0.00 H new ATOM 1118 N HIS A 78 8.325 5.570 -3.819 1.00 0.00 N ATOM 1119 CA HIS A 78 8.730 4.837 -2.624 1.00 0.00 C ATOM 1120 C HIS A 78 9.000 3.372 -2.951 1.00 0.00 C ATOM 1121 O HIS A 78 10.086 2.857 -2.686 1.00 0.00 O ATOM 1122 CB HIS A 78 7.650 4.941 -1.547 1.00 0.00 C ATOM 1123 CG HIS A 78 7.640 6.257 -0.833 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.488 6.979 -0.602 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.650 6.981 -0.297 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.790 8.091 0.044 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.095 8.116 0.242 1.00 0.00 N ATOM 0 H HIS A 78 7.425 6.043 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 78 9.651 5.282 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.675 4.779 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.797 4.143 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.697 6.716 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.089 8.850 0.357 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.608 8.858 0.718 1.00 0.00 H new ATOM 1135 N ALA A 79 8.005 2.706 -3.528 1.00 0.00 N ATOM 1136 CA ALA A 79 8.137 1.300 -3.892 1.00 0.00 C ATOM 1137 C ALA A 79 9.472 1.034 -4.578 1.00 0.00 C ATOM 1138 O ALA A 79 10.235 0.164 -4.155 1.00 0.00 O ATOM 1139 CB ALA A 79 6.985 0.879 -4.792 1.00 0.00 C ATOM 0 H ALA A 79 7.099 3.117 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 79 8.105 0.708 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.095 -0.173 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.041 1.024 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.992 1.484 -5.699 1.00 0.00 H new ATOM 1145 N ARG A 80 9.748 1.786 -5.638 1.00 0.00 N ATOM 1146 CA ARG A 80 10.991 1.628 -6.384 1.00 0.00 C ATOM 1147 C ARG A 80 12.184 1.532 -5.437 1.00 0.00 C ATOM 1148 O ARG A 80 13.088 0.723 -5.643 1.00 0.00 O ATOM 1149 CB ARG A 80 11.184 2.801 -7.347 1.00 0.00 C ATOM 1150 CG ARG A 80 10.588 2.561 -8.725 1.00 0.00 C ATOM 1151 CD ARG A 80 10.533 3.844 -9.539 1.00 0.00 C ATOM 1152 NE ARG A 80 11.766 4.071 -10.288 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.099 5.242 -10.820 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.294 6.287 -10.684 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.238 5.369 -11.488 1.00 0.00 N ATOM 0 H ARG A 80 9.128 2.511 -6.000 1.00 0.00 H new ATOM 0 HA ARG A 80 10.928 0.703 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.731 3.693 -6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.250 3.003 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.183 1.817 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.583 2.151 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.692 3.798 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.353 4.688 -8.873 1.00 0.00 H new ATOM 0 HE ARG A 80 12.407 3.287 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.418 6.192 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.551 7.185 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.859 4.567 -11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.492 6.269 -11.896 1.00 0.00 H new ATOM 1169 N ALA A 81 12.179 2.363 -4.400 1.00 0.00 N ATOM 1170 CA ALA A 81 13.259 2.370 -3.422 1.00 0.00 C ATOM 1171 C ALA A 81 13.293 1.067 -2.631 1.00 0.00 C ATOM 1172 O ALA A 81 14.358 0.605 -2.223 1.00 0.00 O ATOM 1173 CB ALA A 81 13.111 3.557 -2.481 1.00 0.00 C ATOM 0 H ALA A 81 11.439 3.040 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 81 14.202 2.462 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.924 3.550 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.145 4.483 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.157 3.490 -1.957 1.00 0.00 H new ATOM 1179 N ARG A 82 12.120 0.479 -2.418 1.00 0.00 N ATOM 1180 CA ARG A 82 12.016 -0.771 -1.674 1.00 0.00 C ATOM 1181 C ARG A 82 12.276 -1.968 -2.584 1.00 0.00 C ATOM 1182 O ARG A 82 12.516 -3.080 -2.112 1.00 0.00 O ATOM 1183 CB ARG A 82 10.632 -0.894 -1.034 1.00 0.00 C ATOM 1184 CG ARG A 82 10.257 0.291 -0.160 1.00 0.00 C ATOM 1185 CD ARG A 82 8.749 0.446 -0.047 1.00 0.00 C ATOM 1186 NE ARG A 82 8.366 1.796 0.358 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.612 2.299 1.563 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.238 1.569 2.475 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.232 3.536 1.856 1.00 0.00 N ATOM 0 H ARG A 82 11.229 0.848 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 82 12.772 -0.762 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.886 -1.005 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.599 -1.803 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.686 0.161 0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.687 1.202 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.288 0.211 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.364 -0.272 0.677 1.00 0.00 H new ATOM 0 HE ARG A 82 7.883 2.385 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.532 0.618 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.425 1.958 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.751 4.101 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.421 3.922 2.781 1.00 0.00 H new ATOM 1203 N THR A 83 12.226 -1.733 -3.891 1.00 0.00 N ATOM 1204 CA THR A 83 12.454 -2.792 -4.867 1.00 0.00 C ATOM 1205 C THR A 83 13.110 -2.244 -6.129 1.00 0.00 C ATOM 1206 O THR A 83 12.448 -1.640 -6.973 1.00 0.00 O ATOM 1207 CB THR A 83 11.139 -3.496 -5.250 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.390 -4.498 -6.242 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.123 -2.495 -5.779 1.00 0.00 C ATOM 0 H THR A 83 12.030 -0.819 -4.299 1.00 0.00 H new ATOM 0 HA THR A 83 13.121 -3.515 -4.398 1.00 0.00 H new ATOM 0 HB THR A 83 10.731 -3.966 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.549 -4.942 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.203 -3.016 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.912 -1.751 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.526 -2.000 -6.663 1.00 0.00 H new ATOM 1217 N SER A 84 14.416 -2.459 -6.252 1.00 0.00 N ATOM 1218 CA SER A 84 15.163 -1.983 -7.411 1.00 0.00 C ATOM 1219 C SER A 84 15.622 -3.151 -8.278 1.00 0.00 C ATOM 1220 O SER A 84 16.557 -3.870 -7.927 1.00 0.00 O ATOM 1221 CB SER A 84 16.372 -1.160 -6.962 1.00 0.00 C ATOM 1222 OG SER A 84 17.192 -0.816 -8.066 1.00 0.00 O ATOM 0 H SER A 84 14.979 -2.959 -5.564 1.00 0.00 H new ATOM 0 HA SER A 84 14.502 -1.351 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.033 -0.254 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.953 -1.728 -6.236 1.00 0.00 H new ATOM 0 HG SER A 84 17.957 -0.289 -7.754 1.00 0.00 H new ATOM 1228 N GLY A 85 14.957 -3.335 -9.415 1.00 0.00 N ATOM 1229 CA GLY A 85 15.310 -4.417 -10.315 1.00 0.00 C ATOM 1230 C GLY A 85 14.168 -4.802 -11.234 1.00 0.00 C ATOM 1231 O GLY A 85 14.280 -4.740 -12.459 1.00 0.00 O ATOM 0 H GLY A 85 14.180 -2.754 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.171 -4.121 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.612 -5.287 -9.732 1.00 0.00 H new ATOM 1235 N PRO A 86 13.037 -5.213 -10.640 1.00 0.00 N ATOM 1236 CA PRO A 86 11.849 -5.619 -11.395 1.00 0.00 C ATOM 1237 C PRO A 86 11.172 -4.442 -12.089 1.00 0.00 C ATOM 1238 O PRO A 86 11.063 -3.355 -11.522 1.00 0.00 O ATOM 1239 CB PRO A 86 10.930 -6.207 -10.321 1.00 0.00 C ATOM 1240 CG PRO A 86 11.353 -5.544 -9.056 1.00 0.00 C ATOM 1241 CD PRO A 86 12.833 -5.312 -9.185 1.00 0.00 C ATOM 0 HA PRO A 86 12.094 -6.317 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.882 -6.005 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.039 -7.290 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.822 -4.603 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.130 -6.171 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.143 -4.401 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.407 -6.132 -8.753 1.00 0.00 H new ATOM 1249 N SER A 87 10.719 -4.666 -13.318 1.00 0.00 N ATOM 1250 CA SER A 87 10.055 -3.622 -14.090 1.00 0.00 C ATOM 1251 C SER A 87 8.854 -3.065 -13.331 1.00 0.00 C ATOM 1252 O SER A 87 8.485 -3.573 -12.273 1.00 0.00 O ATOM 1253 CB SER A 87 9.606 -4.168 -15.447 1.00 0.00 C ATOM 1254 OG SER A 87 8.404 -4.910 -15.325 1.00 0.00 O ATOM 0 H SER A 87 10.800 -5.561 -13.801 1.00 0.00 H new ATOM 0 HA SER A 87 10.769 -2.814 -14.250 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.459 -3.343 -16.144 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.388 -4.802 -15.864 1.00 0.00 H new ATOM 0 HG SER A 87 8.137 -5.247 -16.206 1.00 0.00 H new ATOM 1260 N SER A 88 8.250 -2.016 -13.880 1.00 0.00 N ATOM 1261 CA SER A 88 7.093 -1.386 -13.254 1.00 0.00 C ATOM 1262 C SER A 88 5.797 -2.032 -13.733 1.00 0.00 C ATOM 1263 O SER A 88 4.993 -2.505 -12.932 1.00 0.00 O ATOM 1264 CB SER A 88 7.074 0.113 -13.561 1.00 0.00 C ATOM 1265 OG SER A 88 6.092 0.779 -12.787 1.00 0.00 O ATOM 0 H SER A 88 8.542 -1.584 -14.757 1.00 0.00 H new ATOM 0 HA SER A 88 7.172 -1.528 -12.176 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.055 0.542 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.873 0.268 -14.621 1.00 0.00 H new ATOM 0 HG SER A 88 6.101 1.736 -13.000 1.00 0.00 H new ATOM 1271 N GLY A 89 5.602 -2.047 -15.048 1.00 0.00 N ATOM 1272 CA GLY A 89 4.402 -2.637 -15.614 1.00 0.00 C ATOM 1273 C GLY A 89 3.176 -1.772 -15.402 1.00 0.00 C ATOM 1274 O GLY A 89 2.167 -2.273 -14.908 1.00 0.00 O ATOM 0 H GLY A 89 6.253 -1.661 -15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.549 -2.798 -16.682 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.235 -3.616 -15.164 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.414 0.316 2.971 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.643 6.684 -1.480 1.00 0.00 ZN