USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= 0.0966 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.18 X(o=0.28,f=-0.018) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.107 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 6 THR OG1 : rot 50:sc= 0.848 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.259 USER MOD Single : A 10 SER OG : rot -160:sc= -0.159 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 109:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.52) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.423! USER MOD Single : A 36 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0955 USER MOD Single : A 48 ASN : amide:sc= -2.27! C(o=-2.3!,f=-7.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -81:sc= 1.03 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0105 K(o=-0.011,f=-0.81) USER MOD Single : A 62 SER OG : rot 13:sc= 0.218 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.0356 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -93:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 111:sc= 0.902 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 113:sc= 0.944 USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.15 USER MOD Single : A 94 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.8!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.0027) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0185 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.664 6.126 15.144 1.00 0.00 N ATOM 2 CA ALA A 1 -16.320 4.798 15.095 1.00 0.00 C ATOM 3 C ALA A 1 -15.286 3.715 14.822 1.00 0.00 C ATOM 4 O ALA A 1 -14.125 4.018 14.545 1.00 0.00 O ATOM 5 CB ALA A 1 -17.407 4.772 14.026 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.717 6.504 16.111 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.667 6.031 14.864 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.147 6.776 14.491 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.787 4.607 16.061 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.875 3.788 14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.159 5.528 14.253 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.965 4.982 13.052 1.00 0.00 H new ATOM 11 N ALA A 2 -15.702 2.459 14.902 1.00 0.00 N ATOM 12 CA ALA A 2 -14.800 1.349 14.658 1.00 0.00 C ATOM 13 C ALA A 2 -14.971 0.818 13.244 1.00 0.00 C ATOM 14 O ALA A 2 -16.017 0.265 12.902 1.00 0.00 O ATOM 15 CB ALA A 2 -15.031 0.247 15.678 1.00 0.00 C ATOM 0 H ALA A 2 -16.657 2.186 15.134 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.776 1.707 14.763 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.347 -0.579 15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.853 0.636 16.681 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.059 -0.108 15.604 1.00 0.00 H new ATOM 21 N PRO A 3 -13.952 1.003 12.394 1.00 0.00 N ATOM 22 CA PRO A 3 -13.987 0.535 11.014 1.00 0.00 C ATOM 23 C PRO A 3 -13.729 -0.964 10.918 1.00 0.00 C ATOM 24 O PRO A 3 -13.725 -1.672 11.928 1.00 0.00 O ATOM 25 CB PRO A 3 -12.858 1.321 10.350 1.00 0.00 C ATOM 26 CG PRO A 3 -11.878 1.577 11.443 1.00 0.00 C ATOM 27 CD PRO A 3 -12.679 1.685 12.715 1.00 0.00 C ATOM 0 HA PRO A 3 -14.959 0.689 10.546 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.405 0.753 9.538 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.224 2.254 9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.150 0.768 11.510 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.319 2.494 11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.169 1.205 13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.843 2.725 12.996 1.00 0.00 H new ATOM 35 N THR A 4 -13.511 -1.446 9.705 1.00 0.00 N ATOM 36 CA THR A 4 -13.252 -2.859 9.480 1.00 0.00 C ATOM 37 C THR A 4 -12.251 -3.057 8.345 1.00 0.00 C ATOM 38 O THR A 4 -12.627 -3.196 7.180 1.00 0.00 O ATOM 39 CB THR A 4 -14.552 -3.624 9.165 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.628 -2.696 8.961 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.903 -4.574 10.295 1.00 0.00 C ATOM 0 H THR A 4 -13.508 -0.877 8.858 1.00 0.00 H new ATOM 0 HA THR A 4 -12.827 -3.260 10.400 1.00 0.00 H new ATOM 0 HB THR A 4 -14.397 -4.206 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.451 -3.188 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.824 -5.104 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.095 -5.293 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.042 -4.008 11.216 1.00 0.00 H new ATOM 49 N ALA A 5 -10.974 -3.043 8.694 1.00 0.00 N ATOM 50 CA ALA A 5 -9.912 -3.223 7.723 1.00 0.00 C ATOM 51 C ALA A 5 -9.572 -4.701 7.586 1.00 0.00 C ATOM 52 O ALA A 5 -8.919 -5.286 8.451 1.00 0.00 O ATOM 53 CB ALA A 5 -8.681 -2.418 8.126 1.00 0.00 C ATOM 0 H ALA A 5 -10.649 -2.908 9.651 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.254 -2.857 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.893 -2.564 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.939 -1.360 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.330 -2.754 9.102 1.00 0.00 H new ATOM 59 N THR A 6 -10.053 -5.307 6.517 1.00 0.00 N ATOM 60 CA THR A 6 -9.801 -6.713 6.259 1.00 0.00 C ATOM 61 C THR A 6 -8.943 -6.885 5.011 1.00 0.00 C ATOM 62 O THR A 6 -9.445 -6.851 3.887 1.00 0.00 O ATOM 63 CB THR A 6 -11.123 -7.487 6.096 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.166 -6.586 5.691 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.511 -8.172 7.397 1.00 0.00 C ATOM 0 H THR A 6 -10.624 -4.845 5.809 1.00 0.00 H new ATOM 0 HA THR A 6 -9.263 -7.118 7.116 1.00 0.00 H new ATOM 0 HB THR A 6 -10.984 -8.251 5.331 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.859 -6.052 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.447 -8.712 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.728 -8.872 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.637 -7.423 8.179 1.00 0.00 H new ATOM 73 N VAL A 7 -7.647 -7.050 5.205 1.00 0.00 N ATOM 74 CA VAL A 7 -6.734 -7.217 4.086 1.00 0.00 C ATOM 75 C VAL A 7 -6.221 -8.650 4.013 1.00 0.00 C ATOM 76 O VAL A 7 -6.298 -9.397 4.987 1.00 0.00 O ATOM 77 CB VAL A 7 -5.532 -6.246 4.175 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.018 -4.809 4.316 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.611 -6.613 5.332 1.00 0.00 C ATOM 0 H VAL A 7 -7.203 -7.072 6.123 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.297 -6.987 3.182 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.961 -6.333 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.160 -4.139 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.625 -4.543 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.617 -4.715 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.776 -5.913 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.166 -6.565 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.231 -7.624 5.188 1.00 0.00 H new ATOM 89 N THR A 8 -5.725 -9.037 2.852 1.00 0.00 N ATOM 90 CA THR A 8 -5.189 -10.375 2.659 1.00 0.00 C ATOM 91 C THR A 8 -3.674 -10.316 2.481 1.00 0.00 C ATOM 92 O THR A 8 -3.179 -10.160 1.362 1.00 0.00 O ATOM 93 CB THR A 8 -5.822 -11.058 1.433 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.240 -10.843 1.437 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.532 -12.553 1.431 1.00 0.00 C ATOM 0 H THR A 8 -5.682 -8.442 2.025 1.00 0.00 H new ATOM 0 HA THR A 8 -5.431 -10.961 3.546 1.00 0.00 H new ATOM 0 HB THR A 8 -5.386 -10.621 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.658 -11.405 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.990 -13.011 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.454 -12.715 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.943 -13.005 2.334 1.00 0.00 H new ATOM 103 N PRO A 9 -2.921 -10.404 3.588 1.00 0.00 N ATOM 104 CA PRO A 9 -1.459 -10.353 3.563 1.00 0.00 C ATOM 105 C PRO A 9 -0.846 -11.626 2.995 1.00 0.00 C ATOM 106 O PRO A 9 -1.245 -12.736 3.348 1.00 0.00 O ATOM 107 CB PRO A 9 -1.067 -10.190 5.043 1.00 0.00 C ATOM 108 CG PRO A 9 -2.342 -9.939 5.779 1.00 0.00 C ATOM 109 CD PRO A 9 -3.429 -10.558 4.954 1.00 0.00 C ATOM 0 HA PRO A 9 -1.098 -9.546 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.570 -11.086 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.371 -9.361 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.310 -10.380 6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.513 -8.870 5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.587 -11.605 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.383 -10.048 5.092 1.00 0.00 H new ATOM 117 N SER A 10 0.115 -11.456 2.106 1.00 0.00 N ATOM 118 CA SER A 10 0.795 -12.578 1.492 1.00 0.00 C ATOM 119 C SER A 10 2.002 -12.992 2.331 1.00 0.00 C ATOM 120 O SER A 10 3.139 -12.635 2.027 1.00 0.00 O ATOM 121 CB SER A 10 1.232 -12.194 0.081 1.00 0.00 C ATOM 122 OG SER A 10 0.263 -11.357 -0.527 1.00 0.00 O ATOM 0 H SER A 10 0.443 -10.543 1.792 1.00 0.00 H new ATOM 0 HA SER A 10 0.113 -13.426 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.193 -11.681 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.374 -13.092 -0.520 1.00 0.00 H new ATOM 0 HG SER A 10 0.379 -11.375 -1.500 1.00 0.00 H new ATOM 128 N SER A 11 1.749 -13.716 3.406 1.00 0.00 N ATOM 129 CA SER A 11 2.813 -14.176 4.279 1.00 0.00 C ATOM 130 C SER A 11 3.130 -15.640 3.987 1.00 0.00 C ATOM 131 O SER A 11 2.471 -16.544 4.497 1.00 0.00 O ATOM 132 CB SER A 11 2.407 -13.984 5.742 1.00 0.00 C ATOM 133 OG SER A 11 1.988 -12.646 5.979 1.00 0.00 O ATOM 0 H SER A 11 0.813 -13.999 3.696 1.00 0.00 H new ATOM 0 HA SER A 11 3.712 -13.588 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.600 -14.672 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.247 -14.227 6.392 1.00 0.00 H new ATOM 0 HG SER A 11 1.731 -12.545 6.919 1.00 0.00 H new ATOM 139 N GLY A 12 4.130 -15.863 3.146 1.00 0.00 N ATOM 140 CA GLY A 12 4.512 -17.212 2.781 1.00 0.00 C ATOM 141 C GLY A 12 4.420 -17.443 1.287 1.00 0.00 C ATOM 142 O GLY A 12 4.601 -18.562 0.808 1.00 0.00 O ATOM 0 H GLY A 12 4.686 -15.129 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.532 -17.403 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.868 -17.924 3.298 1.00 0.00 H new ATOM 146 N LEU A 13 4.145 -16.379 0.548 1.00 0.00 N ATOM 147 CA LEU A 13 4.026 -16.458 -0.899 1.00 0.00 C ATOM 148 C LEU A 13 5.135 -15.656 -1.564 1.00 0.00 C ATOM 149 O LEU A 13 5.660 -14.711 -0.980 1.00 0.00 O ATOM 150 CB LEU A 13 2.661 -15.932 -1.350 1.00 0.00 C ATOM 151 CG LEU A 13 1.487 -16.866 -1.060 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.188 -16.084 -0.976 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.388 -17.947 -2.129 1.00 0.00 C ATOM 0 H LEU A 13 3.999 -15.445 0.930 1.00 0.00 H new ATOM 0 HA LEU A 13 4.118 -17.503 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.476 -14.976 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.698 -15.739 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 13 1.662 -17.346 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.635 -16.768 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.258 -15.347 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.008 -15.575 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.546 -18.603 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.238 -17.482 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.309 -18.530 -2.143 1.00 0.00 H new ATOM 165 N SER A 14 5.498 -16.051 -2.771 1.00 0.00 N ATOM 166 CA SER A 14 6.535 -15.361 -3.521 1.00 0.00 C ATOM 167 C SER A 14 5.998 -14.045 -4.086 1.00 0.00 C ATOM 168 O SER A 14 4.808 -13.742 -3.957 1.00 0.00 O ATOM 169 CB SER A 14 7.037 -16.266 -4.650 1.00 0.00 C ATOM 170 OG SER A 14 7.396 -17.544 -4.147 1.00 0.00 O ATOM 0 H SER A 14 5.089 -16.850 -3.256 1.00 0.00 H new ATOM 0 HA SER A 14 7.366 -15.130 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.262 -16.373 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.898 -15.806 -5.136 1.00 0.00 H new ATOM 0 HG SER A 14 7.712 -18.108 -4.883 1.00 0.00 H new ATOM 176 N ASP A 15 6.871 -13.265 -4.709 1.00 0.00 N ATOM 177 CA ASP A 15 6.471 -11.989 -5.290 1.00 0.00 C ATOM 178 C ASP A 15 5.554 -12.225 -6.480 1.00 0.00 C ATOM 179 O ASP A 15 5.478 -13.334 -7.010 1.00 0.00 O ATOM 180 CB ASP A 15 7.693 -11.167 -5.711 1.00 0.00 C ATOM 181 CG ASP A 15 8.472 -11.808 -6.838 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.055 -12.889 -6.616 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.529 -11.227 -7.939 1.00 0.00 O ATOM 0 H ASP A 15 7.859 -13.492 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 15 5.931 -11.421 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.368 -10.173 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.350 -11.035 -4.851 1.00 0.00 H new ATOM 188 N GLY A 16 4.852 -11.184 -6.889 1.00 0.00 N ATOM 189 CA GLY A 16 3.924 -11.305 -7.991 1.00 0.00 C ATOM 190 C GLY A 16 2.550 -11.711 -7.502 1.00 0.00 C ATOM 191 O GLY A 16 1.596 -11.778 -8.278 1.00 0.00 O ATOM 0 H GLY A 16 4.908 -10.253 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.859 -10.355 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.293 -12.043 -8.703 1.00 0.00 H new ATOM 195 N THR A 17 2.458 -11.991 -6.208 1.00 0.00 N ATOM 196 CA THR A 17 1.204 -12.386 -5.598 1.00 0.00 C ATOM 197 C THR A 17 0.235 -11.211 -5.546 1.00 0.00 C ATOM 198 O THR A 17 0.604 -10.097 -5.166 1.00 0.00 O ATOM 199 CB THR A 17 1.431 -12.951 -4.179 1.00 0.00 C ATOM 200 OG1 THR A 17 2.198 -14.159 -4.257 1.00 0.00 O ATOM 201 CG2 THR A 17 0.108 -13.236 -3.482 1.00 0.00 C ATOM 0 H THR A 17 3.245 -11.950 -5.561 1.00 0.00 H new ATOM 0 HA THR A 17 0.768 -13.172 -6.215 1.00 0.00 H new ATOM 0 HB THR A 17 1.972 -12.204 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.100 -13.997 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.300 -13.633 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.467 -12.313 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.458 -13.966 -4.060 1.00 0.00 H new ATOM 209 N VAL A 18 -0.996 -11.467 -5.956 1.00 0.00 N ATOM 210 CA VAL A 18 -2.031 -10.451 -5.966 1.00 0.00 C ATOM 211 C VAL A 18 -2.556 -10.206 -4.551 1.00 0.00 C ATOM 212 O VAL A 18 -3.333 -11.001 -4.022 1.00 0.00 O ATOM 213 CB VAL A 18 -3.199 -10.863 -6.889 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.210 -9.736 -7.028 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.677 -11.285 -8.253 1.00 0.00 C ATOM 0 H VAL A 18 -1.303 -12.381 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.591 -9.530 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.705 -11.714 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.021 -10.054 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.613 -9.486 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.722 -8.860 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.514 -11.572 -8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.141 -10.454 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.001 -12.133 -8.138 1.00 0.00 H new ATOM 225 N VAL A 19 -2.103 -9.118 -3.940 1.00 0.00 N ATOM 226 CA VAL A 19 -2.525 -8.754 -2.591 1.00 0.00 C ATOM 227 C VAL A 19 -3.925 -8.153 -2.632 1.00 0.00 C ATOM 228 O VAL A 19 -4.192 -7.248 -3.421 1.00 0.00 O ATOM 229 CB VAL A 19 -1.550 -7.742 -1.944 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.892 -7.519 -0.479 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.111 -8.214 -2.085 1.00 0.00 C ATOM 0 H VAL A 19 -1.439 -8.468 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.526 -9.661 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.656 -6.793 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.192 -6.804 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.906 -7.129 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.823 -8.465 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.557 -7.487 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.005 -9.179 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.137 -8.315 -3.142 1.00 0.00 H new ATOM 241 N LYS A 20 -4.811 -8.658 -1.790 1.00 0.00 N ATOM 242 CA LYS A 20 -6.187 -8.179 -1.750 1.00 0.00 C ATOM 243 C LYS A 20 -6.419 -7.277 -0.542 1.00 0.00 C ATOM 244 O LYS A 20 -6.043 -7.619 0.579 1.00 0.00 O ATOM 245 CB LYS A 20 -7.154 -9.363 -1.704 1.00 0.00 C ATOM 246 CG LYS A 20 -8.616 -8.973 -1.875 1.00 0.00 C ATOM 247 CD LYS A 20 -9.541 -10.126 -1.517 1.00 0.00 C ATOM 248 CE LYS A 20 -9.233 -11.366 -2.341 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.182 -12.473 -2.059 1.00 0.00 N ATOM 0 H LYS A 20 -4.604 -9.401 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.369 -7.597 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.883 -10.071 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.035 -9.880 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.842 -8.114 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.795 -8.667 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.440 -10.358 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.576 -9.827 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.273 -11.116 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.216 -11.698 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.936 -13.298 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.126 -12.730 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.150 -12.166 -2.285 1.00 0.00 H new ATOM 263 N VAL A 21 -7.035 -6.128 -0.775 1.00 0.00 N ATOM 264 CA VAL A 21 -7.323 -5.175 0.289 1.00 0.00 C ATOM 265 C VAL A 21 -8.807 -4.816 0.297 1.00 0.00 C ATOM 266 O VAL A 21 -9.325 -4.283 -0.683 1.00 0.00 O ATOM 267 CB VAL A 21 -6.482 -3.889 0.127 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.904 -2.823 1.129 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.999 -4.199 0.268 1.00 0.00 C ATOM 0 H VAL A 21 -7.348 -5.830 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.061 -5.647 1.236 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.661 -3.496 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.294 -1.931 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.953 -2.573 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.767 -3.201 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.423 -3.281 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.808 -4.624 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.702 -4.914 -0.499 1.00 0.00 H new ATOM 279 N ALA A 22 -9.484 -5.128 1.396 1.00 0.00 N ATOM 280 CA ALA A 22 -10.902 -4.829 1.537 1.00 0.00 C ATOM 281 C ALA A 22 -11.148 -4.033 2.812 1.00 0.00 C ATOM 282 O ALA A 22 -11.246 -4.596 3.907 1.00 0.00 O ATOM 283 CB ALA A 22 -11.718 -6.109 1.543 1.00 0.00 C ATOM 0 H ALA A 22 -9.070 -5.590 2.206 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.217 -4.227 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.775 -5.866 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.561 -6.645 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.404 -6.737 2.377 1.00 0.00 H new ATOM 289 N GLY A 23 -11.236 -2.725 2.672 1.00 0.00 N ATOM 290 CA GLY A 23 -11.449 -1.873 3.820 1.00 0.00 C ATOM 291 C GLY A 23 -12.870 -1.365 3.910 1.00 0.00 C ATOM 292 O GLY A 23 -13.392 -0.790 2.956 1.00 0.00 O ATOM 0 H GLY A 23 -11.164 -2.234 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.206 -2.425 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.766 -1.025 3.770 1.00 0.00 H new ATOM 296 N ALA A 24 -13.499 -1.589 5.053 1.00 0.00 N ATOM 297 CA ALA A 24 -14.862 -1.142 5.286 1.00 0.00 C ATOM 298 C ALA A 24 -14.895 -0.158 6.449 1.00 0.00 C ATOM 299 O ALA A 24 -14.039 -0.207 7.337 1.00 0.00 O ATOM 300 CB ALA A 24 -15.772 -2.332 5.559 1.00 0.00 C ATOM 0 H ALA A 24 -13.081 -2.083 5.841 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.226 -0.635 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.789 -1.980 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.761 -3.003 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.418 -2.866 6.441 1.00 0.00 H new ATOM 306 N GLY A 25 -15.879 0.725 6.447 1.00 0.00 N ATOM 307 CA GLY A 25 -15.986 1.711 7.503 1.00 0.00 C ATOM 308 C GLY A 25 -15.128 2.919 7.213 1.00 0.00 C ATOM 309 O GLY A 25 -14.705 3.630 8.124 1.00 0.00 O ATOM 0 H GLY A 25 -16.606 0.778 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.026 2.019 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.683 1.266 8.451 1.00 0.00 H new ATOM 313 N LEU A 26 -14.863 3.137 5.934 1.00 0.00 N ATOM 314 CA LEU A 26 -14.052 4.257 5.500 1.00 0.00 C ATOM 315 C LEU A 26 -14.939 5.439 5.127 1.00 0.00 C ATOM 316 O LEU A 26 -16.162 5.378 5.271 1.00 0.00 O ATOM 317 CB LEU A 26 -13.190 3.847 4.302 1.00 0.00 C ATOM 318 CG LEU A 26 -12.328 2.596 4.509 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.571 2.249 3.239 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.359 2.792 5.666 1.00 0.00 C ATOM 0 H LEU A 26 -15.202 2.546 5.175 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.399 4.556 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.844 3.679 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.536 4.680 4.045 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.992 1.767 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.966 1.358 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.280 2.058 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.923 3.081 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.758 1.892 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.705 3.638 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.919 2.987 6.580 1.00 0.00 H new ATOM 332 N GLN A 27 -14.332 6.508 4.652 1.00 0.00 N ATOM 333 CA GLN A 27 -15.086 7.687 4.262 1.00 0.00 C ATOM 334 C GLN A 27 -15.539 7.567 2.817 1.00 0.00 C ATOM 335 O GLN A 27 -14.718 7.497 1.900 1.00 0.00 O ATOM 336 CB GLN A 27 -14.255 8.958 4.455 1.00 0.00 C ATOM 337 CG GLN A 27 -14.954 10.231 3.991 1.00 0.00 C ATOM 338 CD GLN A 27 -16.288 10.467 4.675 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.484 10.101 5.834 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.216 11.080 3.958 1.00 0.00 N ATOM 0 H GLN A 27 -13.323 6.587 4.526 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.965 7.756 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.003 9.058 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.316 8.852 3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.302 11.084 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.110 10.179 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.014 11.367 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.134 11.265 4.363 1.00 0.00 H new ATOM 349 N ALA A 28 -16.849 7.532 2.622 1.00 0.00 N ATOM 350 CA ALA A 28 -17.414 7.428 1.290 1.00 0.00 C ATOM 351 C ALA A 28 -17.070 8.671 0.482 1.00 0.00 C ATOM 352 O ALA A 28 -17.194 9.792 0.977 1.00 0.00 O ATOM 353 CB ALA A 28 -18.921 7.226 1.361 1.00 0.00 C ATOM 0 H ALA A 28 -17.539 7.574 3.372 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.984 6.560 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.326 7.150 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.140 6.310 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.378 8.073 1.873 1.00 0.00 H new ATOM 359 N GLY A 29 -16.616 8.472 -0.746 1.00 0.00 N ATOM 360 CA GLY A 29 -16.251 9.594 -1.589 1.00 0.00 C ATOM 361 C GLY A 29 -14.822 10.038 -1.363 1.00 0.00 C ATOM 362 O GLY A 29 -14.505 11.221 -1.477 1.00 0.00 O ATOM 0 H GLY A 29 -16.493 7.555 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.383 9.318 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.924 10.428 -1.392 1.00 0.00 H new ATOM 366 N THR A 30 -13.962 9.097 -1.018 1.00 0.00 N ATOM 367 CA THR A 30 -12.558 9.390 -0.787 1.00 0.00 C ATOM 368 C THR A 30 -11.690 8.306 -1.422 1.00 0.00 C ATOM 369 O THR A 30 -11.959 7.116 -1.258 1.00 0.00 O ATOM 370 CB THR A 30 -12.250 9.491 0.721 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.079 10.494 1.321 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.789 9.833 0.965 1.00 0.00 C ATOM 0 H THR A 30 -14.213 8.117 -0.891 1.00 0.00 H new ATOM 0 HA THR A 30 -12.332 10.353 -1.245 1.00 0.00 H new ATOM 0 HB THR A 30 -12.457 8.520 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.880 10.553 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.604 9.897 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.157 9.057 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.557 10.791 0.499 1.00 0.00 H new ATOM 380 N ALA A 31 -10.676 8.722 -2.166 1.00 0.00 N ATOM 381 CA ALA A 31 -9.780 7.780 -2.820 1.00 0.00 C ATOM 382 C ALA A 31 -8.656 7.377 -1.880 1.00 0.00 C ATOM 383 O ALA A 31 -7.970 8.232 -1.320 1.00 0.00 O ATOM 384 CB ALA A 31 -9.217 8.381 -4.097 1.00 0.00 C ATOM 0 H ALA A 31 -10.453 9.703 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.348 6.887 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.549 7.663 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.034 8.622 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.663 9.289 -3.858 1.00 0.00 H new ATOM 390 N TYR A 32 -8.477 6.083 -1.699 1.00 0.00 N ATOM 391 CA TYR A 32 -7.440 5.578 -0.822 1.00 0.00 C ATOM 392 C TYR A 32 -6.257 5.052 -1.628 1.00 0.00 C ATOM 393 O TYR A 32 -6.397 4.126 -2.430 1.00 0.00 O ATOM 394 CB TYR A 32 -8.005 4.482 0.087 1.00 0.00 C ATOM 395 CG TYR A 32 -8.947 5.021 1.142 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.301 5.199 0.877 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.475 5.372 2.401 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.155 5.709 1.833 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.324 5.885 3.362 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.663 6.052 3.073 1.00 0.00 C ATOM 401 OH TYR A 32 -11.512 6.566 4.026 1.00 0.00 O ATOM 0 H TYR A 32 -9.039 5.360 -2.150 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.084 6.399 -0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.532 3.747 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.181 3.961 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.691 4.933 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.428 5.242 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.204 5.839 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.942 6.154 4.335 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.008 6.755 4.845 1.00 0.00 H new ATOM 411 N ASP A 33 -5.101 5.664 -1.417 1.00 0.00 N ATOM 412 CA ASP A 33 -3.877 5.278 -2.107 1.00 0.00 C ATOM 413 C ASP A 33 -3.268 4.058 -1.433 1.00 0.00 C ATOM 414 O ASP A 33 -2.599 4.169 -0.402 1.00 0.00 O ATOM 415 CB ASP A 33 -2.866 6.431 -2.106 1.00 0.00 C ATOM 416 CG ASP A 33 -3.096 7.428 -3.228 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.241 7.899 -3.390 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.124 7.758 -3.944 1.00 0.00 O ATOM 0 H ASP A 33 -4.984 6.440 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.125 5.036 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.919 6.951 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.859 6.023 -2.192 1.00 0.00 H new ATOM 423 N VAL A 34 -3.529 2.893 -1.997 1.00 0.00 N ATOM 424 CA VAL A 34 -3.009 1.651 -1.454 1.00 0.00 C ATOM 425 C VAL A 34 -2.022 1.022 -2.431 1.00 0.00 C ATOM 426 O VAL A 34 -2.348 0.803 -3.601 1.00 0.00 O ATOM 427 CB VAL A 34 -4.148 0.652 -1.149 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.606 -0.599 -0.474 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.223 1.304 -0.290 1.00 0.00 C ATOM 0 H VAL A 34 -4.100 2.781 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.497 1.884 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.600 0.357 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.427 -1.287 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.883 -1.082 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.120 -0.326 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.015 0.582 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.785 1.635 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.640 2.162 -0.818 1.00 0.00 H new ATOM 439 N GLY A 35 -0.813 0.757 -1.957 1.00 0.00 N ATOM 440 CA GLY A 35 0.192 0.155 -2.805 1.00 0.00 C ATOM 441 C GLY A 35 1.198 -0.649 -2.012 1.00 0.00 C ATOM 442 O GLY A 35 1.107 -0.736 -0.786 1.00 0.00 O ATOM 0 H GLY A 35 -0.512 0.948 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.292 -0.491 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.710 0.935 -3.362 1.00 0.00 H new ATOM 446 N GLN A 36 2.152 -1.247 -2.711 1.00 0.00 N ATOM 447 CA GLN A 36 3.185 -2.029 -2.058 1.00 0.00 C ATOM 448 C GLN A 36 4.313 -1.102 -1.616 1.00 0.00 C ATOM 449 O GLN A 36 4.885 -0.373 -2.428 1.00 0.00 O ATOM 450 CB GLN A 36 3.716 -3.127 -2.986 1.00 0.00 C ATOM 451 CG GLN A 36 4.226 -2.609 -4.320 1.00 0.00 C ATOM 452 CD GLN A 36 5.292 -3.500 -4.926 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.379 -3.635 -6.140 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.117 -4.112 -4.085 1.00 0.00 N ATOM 0 H GLN A 36 2.230 -1.204 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 36 2.758 -2.520 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.523 -3.658 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.922 -3.851 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.391 -2.525 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.631 -1.606 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.014 -3.975 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.854 -4.719 -4.444 1.00 0.00 H new ATOM 463 N CYS A 37 4.600 -1.103 -0.328 1.00 0.00 N ATOM 464 CA CYS A 37 5.640 -0.251 0.219 1.00 0.00 C ATOM 465 C CYS A 37 6.653 -1.072 1.005 1.00 0.00 C ATOM 466 O CYS A 37 6.485 -2.280 1.177 1.00 0.00 O ATOM 467 CB CYS A 37 5.001 0.806 1.115 1.00 0.00 C ATOM 468 SG CYS A 37 3.239 1.085 0.752 1.00 0.00 S ATOM 0 H CYS A 37 4.126 -1.686 0.361 1.00 0.00 H new ATOM 0 HA CYS A 37 6.169 0.237 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.107 0.502 2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.542 1.745 1.000 1.00 0.00 H new ATOM 473 N ALA A 38 7.706 -0.412 1.462 1.00 0.00 N ATOM 474 CA ALA A 38 8.750 -1.064 2.236 1.00 0.00 C ATOM 475 C ALA A 38 9.657 -0.019 2.873 1.00 0.00 C ATOM 476 O ALA A 38 9.430 1.185 2.722 1.00 0.00 O ATOM 477 CB ALA A 38 9.558 -2.014 1.359 1.00 0.00 C ATOM 0 H ALA A 38 7.860 0.584 1.308 1.00 0.00 H new ATOM 0 HA ALA A 38 8.283 -1.651 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.334 -2.491 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.898 -2.777 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.020 -1.454 0.546 1.00 0.00 H new ATOM 483 N TRP A 39 10.670 -0.489 3.588 1.00 0.00 N ATOM 484 CA TRP A 39 11.626 0.385 4.257 1.00 0.00 C ATOM 485 C TRP A 39 12.568 1.028 3.242 1.00 0.00 C ATOM 486 O TRP A 39 13.526 0.400 2.789 1.00 0.00 O ATOM 487 CB TRP A 39 12.432 -0.430 5.269 1.00 0.00 C ATOM 488 CG TRP A 39 12.455 0.154 6.646 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.381 0.442 7.435 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.617 0.509 7.402 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.802 0.959 8.635 1.00 0.00 N ATOM 492 CE2 TRP A 39 13.171 1.009 8.640 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.990 0.454 7.152 1.00 0.00 C ATOM 494 CZ2 TRP A 39 14.050 1.449 9.624 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.861 0.892 8.130 1.00 0.00 C ATOM 496 CH2 TRP A 39 15.389 1.383 9.354 1.00 0.00 C ATOM 0 H TRP A 39 10.853 -1.484 3.721 1.00 0.00 H new ATOM 0 HA TRP A 39 11.082 1.177 4.771 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.018 -1.437 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.457 -0.525 4.909 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.349 0.286 7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 39 11.195 1.257 9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 39 15.363 0.076 6.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.688 1.829 10.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.925 0.855 7.948 1.00 0.00 H new ATOM 0 HH2 TRP A 39 16.096 1.716 10.099 1.00 0.00 H new ATOM 507 N VAL A 40 12.298 2.277 2.883 1.00 0.00 N ATOM 508 CA VAL A 40 13.133 2.977 1.914 1.00 0.00 C ATOM 509 C VAL A 40 14.275 3.726 2.608 1.00 0.00 C ATOM 510 O VAL A 40 15.353 3.904 2.036 1.00 0.00 O ATOM 511 CB VAL A 40 12.299 3.950 1.042 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.733 5.096 1.869 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.128 4.479 -0.117 1.00 0.00 C ATOM 0 H VAL A 40 11.515 2.822 3.244 1.00 0.00 H new ATOM 0 HA VAL A 40 13.566 2.223 1.257 1.00 0.00 H new ATOM 0 HB VAL A 40 11.457 3.390 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.154 5.758 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.088 4.696 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.551 5.655 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.523 5.160 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.997 5.011 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.459 3.646 -0.738 1.00 0.00 H new ATOM 523 N ASP A 41 14.045 4.129 3.851 1.00 0.00 N ATOM 524 CA ASP A 41 15.047 4.858 4.624 1.00 0.00 C ATOM 525 C ASP A 41 14.923 4.495 6.097 1.00 0.00 C ATOM 526 O ASP A 41 14.188 3.572 6.446 1.00 0.00 O ATOM 527 CB ASP A 41 14.877 6.371 4.441 1.00 0.00 C ATOM 528 CG ASP A 41 16.189 7.131 4.522 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.810 7.145 5.602 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.596 7.730 3.506 1.00 0.00 O ATOM 0 H ASP A 41 13.170 3.963 4.349 1.00 0.00 H new ATOM 0 HA ASP A 41 16.037 4.577 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.411 6.564 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.197 6.749 5.204 1.00 0.00 H new ATOM 535 N THR A 42 15.624 5.224 6.952 1.00 0.00 N ATOM 536 CA THR A 42 15.598 4.979 8.386 1.00 0.00 C ATOM 537 C THR A 42 14.266 5.415 8.996 1.00 0.00 C ATOM 538 O THR A 42 14.166 6.476 9.613 1.00 0.00 O ATOM 539 CB THR A 42 16.745 5.733 9.082 1.00 0.00 C ATOM 540 OG1 THR A 42 17.727 6.119 8.111 1.00 0.00 O ATOM 541 CG2 THR A 42 17.392 4.868 10.150 1.00 0.00 C ATOM 0 H THR A 42 16.225 5.999 6.673 1.00 0.00 H new ATOM 0 HA THR A 42 15.721 3.907 8.539 1.00 0.00 H new ATOM 0 HB THR A 42 16.334 6.621 9.561 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.455 6.600 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.200 5.423 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.647 4.595 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.794 3.964 9.692 1.00 0.00 H new ATOM 549 N GLY A 43 13.237 4.602 8.798 1.00 0.00 N ATOM 550 CA GLY A 43 11.924 4.914 9.329 1.00 0.00 C ATOM 551 C GLY A 43 10.988 5.414 8.251 1.00 0.00 C ATOM 552 O GLY A 43 9.770 5.256 8.346 1.00 0.00 O ATOM 0 H GLY A 43 13.289 3.727 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.500 4.025 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.017 5.670 10.109 1.00 0.00 H new ATOM 556 N VAL A 44 11.563 6.022 7.225 1.00 0.00 N ATOM 557 CA VAL A 44 10.786 6.544 6.113 1.00 0.00 C ATOM 558 C VAL A 44 10.259 5.396 5.262 1.00 0.00 C ATOM 559 O VAL A 44 11.018 4.505 4.865 1.00 0.00 O ATOM 560 CB VAL A 44 11.614 7.494 5.220 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.726 8.168 4.183 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.338 8.534 6.063 1.00 0.00 C ATOM 0 H VAL A 44 12.569 6.166 7.140 1.00 0.00 H new ATOM 0 HA VAL A 44 9.959 7.112 6.538 1.00 0.00 H new ATOM 0 HB VAL A 44 12.362 6.900 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.329 8.833 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.261 7.409 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.951 8.745 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.915 9.192 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.609 9.122 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.010 8.034 6.761 1.00 0.00 H new ATOM 572 N LEU A 45 8.964 5.416 5.000 1.00 0.00 N ATOM 573 CA LEU A 45 8.329 4.386 4.196 1.00 0.00 C ATOM 574 C LEU A 45 7.873 4.974 2.870 1.00 0.00 C ATOM 575 O LEU A 45 7.510 6.148 2.800 1.00 0.00 O ATOM 576 CB LEU A 45 7.141 3.785 4.949 1.00 0.00 C ATOM 577 CG LEU A 45 7.454 3.289 6.361 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.172 3.030 7.138 1.00 0.00 C ATOM 579 CD2 LEU A 45 8.304 2.032 6.304 1.00 0.00 C ATOM 0 H LEU A 45 8.328 6.139 5.335 1.00 0.00 H new ATOM 0 HA LEU A 45 9.051 3.593 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.352 4.535 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.745 2.953 4.367 1.00 0.00 H new ATOM 0 HG LEU A 45 8.016 4.065 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.418 2.678 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.597 3.953 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.581 2.273 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.518 1.691 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.765 1.252 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.240 2.249 5.789 1.00 0.00 H new ATOM 591 N ALA A 46 7.912 4.167 1.823 1.00 0.00 N ATOM 592 CA ALA A 46 7.504 4.616 0.499 1.00 0.00 C ATOM 593 C ALA A 46 6.889 3.468 -0.295 1.00 0.00 C ATOM 594 O ALA A 46 7.334 2.326 -0.181 1.00 0.00 O ATOM 595 CB ALA A 46 8.694 5.206 -0.242 1.00 0.00 C ATOM 0 H ALA A 46 8.222 3.196 1.863 1.00 0.00 H new ATOM 0 HA ALA A 46 6.745 5.390 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.378 5.539 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.087 6.055 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.471 4.448 -0.345 1.00 0.00 H new ATOM 601 N CYS A 47 5.878 3.775 -1.097 1.00 0.00 N ATOM 602 CA CYS A 47 5.191 2.762 -1.895 1.00 0.00 C ATOM 603 C CYS A 47 5.499 2.918 -3.375 1.00 0.00 C ATOM 604 O CYS A 47 5.931 3.980 -3.820 1.00 0.00 O ATOM 605 CB CYS A 47 3.676 2.852 -1.690 1.00 0.00 C ATOM 606 SG CYS A 47 3.155 2.985 0.048 1.00 0.00 S ATOM 0 H CYS A 47 5.513 4.720 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 47 5.551 1.789 -1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.299 3.717 -2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.210 1.970 -2.129 1.00 0.00 H new ATOM 611 N ASN A 48 5.284 1.851 -4.133 1.00 0.00 N ATOM 612 CA ASN A 48 5.510 1.878 -5.572 1.00 0.00 C ATOM 613 C ASN A 48 4.267 2.401 -6.276 1.00 0.00 C ATOM 614 O ASN A 48 3.197 1.799 -6.186 1.00 0.00 O ATOM 615 CB ASN A 48 5.863 0.486 -6.089 1.00 0.00 C ATOM 616 CG ASN A 48 6.277 0.508 -7.546 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.529 0.075 -8.422 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.461 1.035 -7.809 1.00 0.00 N ATOM 0 H ASN A 48 4.953 0.955 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 48 6.348 2.542 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.673 0.071 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.005 -0.174 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.790 1.096 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.046 1.381 -7.048 1.00 0.00 H new ATOM 625 N PRO A 49 4.392 3.521 -6.999 1.00 0.00 N ATOM 626 CA PRO A 49 3.270 4.145 -7.698 1.00 0.00 C ATOM 627 C PRO A 49 2.964 3.494 -9.044 1.00 0.00 C ATOM 628 O PRO A 49 1.942 3.787 -9.661 1.00 0.00 O ATOM 629 CB PRO A 49 3.757 5.578 -7.895 1.00 0.00 C ATOM 630 CG PRO A 49 5.232 5.440 -8.059 1.00 0.00 C ATOM 631 CD PRO A 49 5.645 4.273 -7.197 1.00 0.00 C ATOM 0 HA PRO A 49 2.339 4.055 -7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.300 6.038 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.508 6.205 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.493 5.264 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.745 6.351 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.404 3.663 -7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.066 4.606 -6.248 1.00 0.00 H new ATOM 639 N ALA A 50 3.843 2.611 -9.494 1.00 0.00 N ATOM 640 CA ALA A 50 3.654 1.942 -10.771 1.00 0.00 C ATOM 641 C ALA A 50 2.610 0.837 -10.663 1.00 0.00 C ATOM 642 O ALA A 50 1.742 0.704 -11.525 1.00 0.00 O ATOM 643 CB ALA A 50 4.974 1.379 -11.278 1.00 0.00 C ATOM 0 H ALA A 50 4.691 2.342 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 50 3.291 2.680 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.814 0.882 -12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.690 2.190 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.364 0.661 -10.557 1.00 0.00 H new ATOM 649 N ASP A 51 2.679 0.060 -9.589 1.00 0.00 N ATOM 650 CA ASP A 51 1.745 -1.045 -9.394 1.00 0.00 C ATOM 651 C ASP A 51 0.724 -0.749 -8.304 1.00 0.00 C ATOM 652 O ASP A 51 0.085 -1.664 -7.777 1.00 0.00 O ATOM 653 CB ASP A 51 2.503 -2.328 -9.059 1.00 0.00 C ATOM 654 CG ASP A 51 2.679 -3.214 -10.268 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.705 -3.884 -10.670 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.790 -3.244 -10.831 1.00 0.00 O ATOM 0 H ASP A 51 3.366 0.172 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 51 1.202 -1.175 -10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.481 -2.075 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.965 -2.875 -8.284 1.00 0.00 H new ATOM 661 N PHE A 52 0.563 0.523 -7.970 1.00 0.00 N ATOM 662 CA PHE A 52 -0.399 0.917 -6.950 1.00 0.00 C ATOM 663 C PHE A 52 -1.746 1.223 -7.603 1.00 0.00 C ATOM 664 O PHE A 52 -1.806 1.547 -8.791 1.00 0.00 O ATOM 665 CB PHE A 52 0.128 2.118 -6.142 1.00 0.00 C ATOM 666 CG PHE A 52 -0.618 3.408 -6.349 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.340 4.220 -7.436 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.592 3.810 -5.449 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.021 5.407 -7.623 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.274 4.997 -5.632 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.989 5.795 -6.721 1.00 0.00 C ATOM 0 H PHE A 52 1.082 1.296 -8.387 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.539 0.094 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.096 1.865 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.175 2.277 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.418 3.922 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.820 3.189 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.795 6.031 -8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.030 5.300 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.523 6.722 -6.867 1.00 0.00 H new ATOM 681 N SER A 53 -2.823 1.094 -6.844 1.00 0.00 N ATOM 682 CA SER A 53 -4.152 1.366 -7.365 1.00 0.00 C ATOM 683 C SER A 53 -4.985 2.122 -6.337 1.00 0.00 C ATOM 684 O SER A 53 -5.263 1.608 -5.252 1.00 0.00 O ATOM 685 CB SER A 53 -4.842 0.059 -7.758 1.00 0.00 C ATOM 686 OG SER A 53 -4.004 -0.737 -8.583 1.00 0.00 O ATOM 0 H SER A 53 -2.802 0.803 -5.867 1.00 0.00 H new ATOM 0 HA SER A 53 -4.057 1.991 -8.253 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.108 -0.499 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.771 0.279 -8.284 1.00 0.00 H new ATOM 0 HG SER A 53 -4.469 -1.567 -8.818 1.00 0.00 H new ATOM 692 N SER A 54 -5.365 3.342 -6.679 1.00 0.00 N ATOM 693 CA SER A 54 -6.165 4.175 -5.800 1.00 0.00 C ATOM 694 C SER A 54 -7.626 3.751 -5.861 1.00 0.00 C ATOM 695 O SER A 54 -8.299 3.958 -6.871 1.00 0.00 O ATOM 696 CB SER A 54 -6.024 5.642 -6.213 1.00 0.00 C ATOM 697 OG SER A 54 -5.179 5.767 -7.346 1.00 0.00 O ATOM 0 H SER A 54 -5.129 3.780 -7.569 1.00 0.00 H new ATOM 0 HA SER A 54 -5.811 4.056 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.006 6.057 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.616 6.220 -5.384 1.00 0.00 H new ATOM 0 HG SER A 54 -4.242 5.735 -7.060 1.00 0.00 H new ATOM 703 N VAL A 55 -8.109 3.143 -4.793 1.00 0.00 N ATOM 704 CA VAL A 55 -9.489 2.699 -4.740 1.00 0.00 C ATOM 705 C VAL A 55 -10.320 3.673 -3.911 1.00 0.00 C ATOM 706 O VAL A 55 -9.935 4.051 -2.806 1.00 0.00 O ATOM 707 CB VAL A 55 -9.598 1.265 -4.168 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.049 1.182 -2.748 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.035 0.766 -4.231 1.00 0.00 C ATOM 0 H VAL A 55 -7.567 2.946 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.879 2.678 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.984 0.614 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.143 0.160 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.999 1.473 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.613 1.853 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.088 -0.244 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.676 1.427 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.372 0.757 -5.268 1.00 0.00 H new ATOM 719 N THR A 56 -11.433 4.114 -4.465 1.00 0.00 N ATOM 720 CA THR A 56 -12.306 5.036 -3.764 1.00 0.00 C ATOM 721 C THR A 56 -13.410 4.276 -3.039 1.00 0.00 C ATOM 722 O THR A 56 -13.878 3.238 -3.513 1.00 0.00 O ATOM 723 CB THR A 56 -12.910 6.092 -4.725 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.594 7.109 -3.982 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.875 5.461 -5.721 1.00 0.00 C ATOM 0 H THR A 56 -11.754 3.849 -5.396 1.00 0.00 H new ATOM 0 HA THR A 56 -11.705 5.568 -3.027 1.00 0.00 H new ATOM 0 HB THR A 56 -12.083 6.534 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.969 7.770 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.277 6.233 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.347 4.717 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.692 4.981 -5.182 1.00 0.00 H new ATOM 733 N ALA A 57 -13.792 4.774 -1.875 1.00 0.00 N ATOM 734 CA ALA A 57 -14.838 4.145 -1.083 1.00 0.00 C ATOM 735 C ALA A 57 -16.207 4.401 -1.702 1.00 0.00 C ATOM 736 O ALA A 57 -16.552 5.546 -2.018 1.00 0.00 O ATOM 737 CB ALA A 57 -14.800 4.646 0.352 1.00 0.00 C ATOM 0 H ALA A 57 -13.393 5.614 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.660 3.070 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.590 4.163 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.833 4.409 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.950 5.726 0.365 1.00 0.00 H new ATOM 743 N ASP A 58 -16.981 3.335 -1.866 1.00 0.00 N ATOM 744 CA ASP A 58 -18.313 3.423 -2.455 1.00 0.00 C ATOM 745 C ASP A 58 -19.312 4.022 -1.474 1.00 0.00 C ATOM 746 O ASP A 58 -18.943 4.451 -0.379 1.00 0.00 O ATOM 747 CB ASP A 58 -18.803 2.043 -2.923 1.00 0.00 C ATOM 748 CG ASP A 58 -18.805 0.975 -1.835 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.671 1.311 -0.641 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.949 -0.217 -2.183 1.00 0.00 O ATOM 0 H ASP A 58 -16.706 2.390 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.241 4.081 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.814 2.144 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.172 1.706 -3.745 1.00 0.00 H new ATOM 755 N ALA A 59 -20.580 4.044 -1.874 1.00 0.00 N ATOM 756 CA ALA A 59 -21.640 4.586 -1.030 1.00 0.00 C ATOM 757 C ALA A 59 -21.839 3.732 0.217 1.00 0.00 C ATOM 758 O ALA A 59 -22.460 4.167 1.186 1.00 0.00 O ATOM 759 CB ALA A 59 -22.936 4.689 -1.812 1.00 0.00 C ATOM 0 H ALA A 59 -20.898 3.693 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.341 5.585 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.717 5.095 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.793 5.347 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.230 3.699 -2.160 1.00 0.00 H new ATOM 765 N ASN A 60 -21.299 2.522 0.194 1.00 0.00 N ATOM 766 CA ASN A 60 -21.411 1.614 1.329 1.00 0.00 C ATOM 767 C ASN A 60 -20.265 1.845 2.308 1.00 0.00 C ATOM 768 O ASN A 60 -20.224 1.247 3.383 1.00 0.00 O ATOM 769 CB ASN A 60 -21.427 0.156 0.856 1.00 0.00 C ATOM 770 CG ASN A 60 -22.698 -0.189 0.099 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.778 0.314 0.412 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.583 -1.039 -0.907 1.00 0.00 N ATOM 0 H ASN A 60 -20.778 2.145 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.352 1.817 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.564 -0.026 0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.329 -0.505 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.405 -1.298 -1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.672 -1.436 -1.138 1.00 0.00 H new ATOM 779 N GLY A 61 -19.339 2.720 1.925 1.00 0.00 N ATOM 780 CA GLY A 61 -18.207 3.038 2.773 1.00 0.00 C ATOM 781 C GLY A 61 -17.155 1.950 2.762 1.00 0.00 C ATOM 782 O GLY A 61 -16.450 1.748 3.753 1.00 0.00 O ATOM 0 H GLY A 61 -19.355 3.217 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.760 3.975 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.554 3.194 3.794 1.00 0.00 H new ATOM 786 N SER A 62 -17.049 1.246 1.646 1.00 0.00 N ATOM 787 CA SER A 62 -16.077 0.172 1.524 1.00 0.00 C ATOM 788 C SER A 62 -15.249 0.315 0.247 1.00 0.00 C ATOM 789 O SER A 62 -15.693 0.932 -0.727 1.00 0.00 O ATOM 790 CB SER A 62 -16.787 -1.182 1.556 1.00 0.00 C ATOM 791 OG SER A 62 -17.990 -1.152 0.802 1.00 0.00 O ATOM 0 H SER A 62 -17.621 1.398 0.816 1.00 0.00 H new ATOM 0 HA SER A 62 -15.392 0.233 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.125 -1.951 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.009 -1.454 2.588 1.00 0.00 H new ATOM 0 HG SER A 62 -18.012 -0.340 0.253 1.00 0.00 H new ATOM 797 N ALA A 63 -14.042 -0.241 0.266 1.00 0.00 N ATOM 798 CA ALA A 63 -13.148 -0.183 -0.879 1.00 0.00 C ATOM 799 C ALA A 63 -12.305 -1.451 -0.987 1.00 0.00 C ATOM 800 O ALA A 63 -11.712 -1.900 -0.007 1.00 0.00 O ATOM 801 CB ALA A 63 -12.252 1.043 -0.776 1.00 0.00 C ATOM 0 H ALA A 63 -13.661 -0.740 1.070 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.754 -0.108 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.585 1.080 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.867 1.943 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.661 0.986 0.138 1.00 0.00 H new ATOM 807 N SER A 64 -12.273 -2.035 -2.177 1.00 0.00 N ATOM 808 CA SER A 64 -11.501 -3.244 -2.421 1.00 0.00 C ATOM 809 C SER A 64 -10.580 -3.048 -3.620 1.00 0.00 C ATOM 810 O SER A 64 -10.990 -2.507 -4.651 1.00 0.00 O ATOM 811 CB SER A 64 -12.427 -4.439 -2.666 1.00 0.00 C ATOM 812 OG SER A 64 -13.410 -4.546 -1.646 1.00 0.00 O ATOM 0 H SER A 64 -12.777 -1.688 -2.993 1.00 0.00 H new ATOM 0 HA SER A 64 -10.898 -3.448 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.915 -4.331 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.839 -5.356 -2.705 1.00 0.00 H new ATOM 0 HG SER A 64 -13.988 -5.316 -1.828 1.00 0.00 H new ATOM 818 N THR A 65 -9.340 -3.484 -3.483 1.00 0.00 N ATOM 819 CA THR A 65 -8.371 -3.355 -4.554 1.00 0.00 C ATOM 820 C THR A 65 -7.306 -4.445 -4.453 1.00 0.00 C ATOM 821 O THR A 65 -7.088 -5.020 -3.383 1.00 0.00 O ATOM 822 CB THR A 65 -7.711 -1.956 -4.542 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.991 -1.733 -5.763 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.773 -1.795 -3.352 1.00 0.00 C ATOM 0 H THR A 65 -8.981 -3.931 -2.639 1.00 0.00 H new ATOM 0 HA THR A 65 -8.901 -3.473 -5.499 1.00 0.00 H new ATOM 0 HB THR A 65 -8.506 -1.216 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.126 -0.808 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.326 -0.801 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.335 -1.920 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.987 -2.548 -3.404 1.00 0.00 H new ATOM 832 N SER A 66 -6.669 -4.738 -5.579 1.00 0.00 N ATOM 833 CA SER A 66 -5.628 -5.752 -5.636 1.00 0.00 C ATOM 834 C SER A 66 -4.301 -5.131 -6.074 1.00 0.00 C ATOM 835 O SER A 66 -4.247 -4.369 -7.042 1.00 0.00 O ATOM 836 CB SER A 66 -6.041 -6.863 -6.603 1.00 0.00 C ATOM 837 OG SER A 66 -7.382 -7.268 -6.373 1.00 0.00 O ATOM 0 H SER A 66 -6.858 -4.282 -6.472 1.00 0.00 H new ATOM 0 HA SER A 66 -5.495 -6.178 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.934 -6.514 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.375 -7.718 -6.486 1.00 0.00 H new ATOM 0 HG SER A 66 -7.622 -7.978 -7.005 1.00 0.00 H new ATOM 843 N LEU A 67 -3.232 -5.457 -5.356 1.00 0.00 N ATOM 844 CA LEU A 67 -1.911 -4.921 -5.661 1.00 0.00 C ATOM 845 C LEU A 67 -0.952 -6.035 -6.048 1.00 0.00 C ATOM 846 O LEU A 67 -0.977 -7.119 -5.465 1.00 0.00 O ATOM 847 CB LEU A 67 -1.334 -4.169 -4.451 1.00 0.00 C ATOM 848 CG LEU A 67 -2.057 -2.877 -4.048 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.504 -2.091 -5.271 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.237 -3.186 -3.140 1.00 0.00 C ATOM 0 H LEU A 67 -3.255 -6.091 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.024 -4.232 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.336 -4.844 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.293 -3.927 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.353 -2.255 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.013 -1.181 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.634 -1.828 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.186 -2.699 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.737 -2.257 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.939 -3.835 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.882 -3.687 -2.240 1.00 0.00 H new ATOM 862 N THR A 68 -0.121 -5.770 -7.037 1.00 0.00 N ATOM 863 CA THR A 68 0.863 -6.740 -7.476 1.00 0.00 C ATOM 864 C THR A 68 2.215 -6.397 -6.857 1.00 0.00 C ATOM 865 O THR A 68 2.905 -5.489 -7.316 1.00 0.00 O ATOM 866 CB THR A 68 0.977 -6.777 -9.014 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.329 -6.674 -9.605 1.00 0.00 O ATOM 868 CG2 THR A 68 1.651 -8.065 -9.473 1.00 0.00 C ATOM 0 H THR A 68 -0.108 -4.890 -7.552 1.00 0.00 H new ATOM 0 HA THR A 68 0.543 -7.729 -7.148 1.00 0.00 H new ATOM 0 HB THR A 68 1.586 -5.932 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.249 -6.696 -10.581 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.722 -8.071 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.651 -8.125 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.063 -8.921 -9.143 1.00 0.00 H new ATOM 876 N VAL A 69 2.569 -7.107 -5.793 1.00 0.00 N ATOM 877 CA VAL A 69 3.821 -6.861 -5.092 1.00 0.00 C ATOM 878 C VAL A 69 5.024 -7.381 -5.881 1.00 0.00 C ATOM 879 O VAL A 69 5.129 -8.572 -6.173 1.00 0.00 O ATOM 880 CB VAL A 69 3.801 -7.477 -3.669 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.463 -8.964 -3.704 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.123 -7.242 -2.958 1.00 0.00 C ATOM 0 H VAL A 69 2.005 -7.859 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 69 3.924 -5.780 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 69 3.014 -6.974 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.459 -9.360 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.479 -9.103 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.209 -9.493 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.084 -7.683 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.930 -7.703 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.305 -6.171 -2.873 1.00 0.00 H new ATOM 892 N ARG A 70 5.913 -6.465 -6.246 1.00 0.00 N ATOM 893 CA ARG A 70 7.123 -6.807 -6.985 1.00 0.00 C ATOM 894 C ARG A 70 8.264 -7.107 -6.017 1.00 0.00 C ATOM 895 O ARG A 70 8.147 -6.859 -4.816 1.00 0.00 O ATOM 896 CB ARG A 70 7.533 -5.654 -7.909 1.00 0.00 C ATOM 897 CG ARG A 70 6.411 -5.140 -8.794 1.00 0.00 C ATOM 898 CD ARG A 70 6.063 -6.137 -9.884 1.00 0.00 C ATOM 899 NE ARG A 70 4.877 -5.734 -10.628 1.00 0.00 N ATOM 900 CZ ARG A 70 4.246 -6.515 -11.497 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.720 -7.722 -11.784 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.146 -6.079 -12.089 1.00 0.00 N ATOM 0 H ARG A 70 5.817 -5.471 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 70 6.915 -7.691 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.908 -4.831 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.357 -5.984 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.528 -4.941 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.707 -4.193 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.905 -6.236 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.897 -7.118 -9.439 1.00 0.00 H new ATOM 0 HE ARG A 70 4.509 -4.795 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.574 -8.054 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.230 -8.317 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.787 -5.148 -11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.657 -6.674 -12.758 1.00 0.00 H new ATOM 916 N ARG A 71 9.363 -7.625 -6.545 1.00 0.00 N ATOM 917 CA ARG A 71 10.528 -7.948 -5.730 1.00 0.00 C ATOM 918 C ARG A 71 11.303 -6.674 -5.388 1.00 0.00 C ATOM 919 O ARG A 71 11.577 -6.394 -4.225 1.00 0.00 O ATOM 920 CB ARG A 71 11.424 -8.951 -6.465 1.00 0.00 C ATOM 921 CG ARG A 71 12.569 -9.490 -5.621 1.00 0.00 C ATOM 922 CD ARG A 71 12.063 -10.259 -4.409 1.00 0.00 C ATOM 923 NE ARG A 71 11.285 -11.437 -4.785 1.00 0.00 N ATOM 924 CZ ARG A 71 11.157 -12.519 -4.020 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.738 -12.563 -2.825 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.447 -13.552 -4.450 1.00 0.00 N ATOM 0 H ARG A 71 9.474 -7.832 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 71 10.194 -8.405 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.813 -9.787 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.835 -8.472 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.194 -10.142 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.198 -8.663 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.911 -10.566 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.448 -9.601 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 71 10.811 -11.430 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.283 -11.767 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.639 -13.393 -2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.000 -13.517 -5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.348 -14.382 -3.865 1.00 0.00 H new ATOM 940 N SER A 72 11.660 -5.917 -6.409 1.00 0.00 N ATOM 941 CA SER A 72 12.374 -4.665 -6.225 1.00 0.00 C ATOM 942 C SER A 72 11.602 -3.562 -6.937 1.00 0.00 C ATOM 943 O SER A 72 11.093 -3.772 -8.041 1.00 0.00 O ATOM 944 CB SER A 72 13.803 -4.776 -6.764 1.00 0.00 C ATOM 945 OG SER A 72 14.422 -5.975 -6.312 1.00 0.00 O ATOM 0 H SER A 72 11.465 -6.149 -7.383 1.00 0.00 H new ATOM 0 HA SER A 72 12.447 -4.429 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.788 -4.758 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.387 -3.915 -6.439 1.00 0.00 H new ATOM 0 HG SER A 72 14.921 -5.795 -5.488 1.00 0.00 H new ATOM 951 N PHE A 73 11.497 -2.401 -6.310 1.00 0.00 N ATOM 952 CA PHE A 73 10.737 -1.303 -6.890 1.00 0.00 C ATOM 953 C PHE A 73 11.211 0.049 -6.379 1.00 0.00 C ATOM 954 O PHE A 73 12.014 0.133 -5.453 1.00 0.00 O ATOM 955 CB PHE A 73 9.256 -1.478 -6.546 1.00 0.00 C ATOM 956 CG PHE A 73 8.986 -1.522 -5.063 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.073 -2.717 -4.367 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.653 -0.368 -4.367 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.833 -2.760 -3.008 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.412 -0.408 -3.009 1.00 0.00 C ATOM 961 CZ PHE A 73 8.501 -1.604 -2.330 1.00 0.00 C ATOM 0 H PHE A 73 11.924 -2.195 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 73 10.888 -1.326 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.689 -0.658 -6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.891 -2.399 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.331 -3.624 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.582 0.572 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.905 -3.697 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.154 0.497 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.311 -1.637 -1.267 1.00 0.00 H new ATOM 971 N GLU A 74 10.710 1.106 -6.994 1.00 0.00 N ATOM 972 CA GLU A 74 11.043 2.459 -6.586 1.00 0.00 C ATOM 973 C GLU A 74 10.046 2.920 -5.532 1.00 0.00 C ATOM 974 O GLU A 74 8.838 2.723 -5.689 1.00 0.00 O ATOM 975 CB GLU A 74 11.004 3.418 -7.781 1.00 0.00 C ATOM 976 CG GLU A 74 11.394 2.786 -9.110 1.00 0.00 C ATOM 977 CD GLU A 74 10.196 2.247 -9.863 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.766 1.111 -9.573 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.673 2.959 -10.747 1.00 0.00 O ATOM 0 H GLU A 74 10.066 1.052 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 74 12.053 2.463 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.998 3.828 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.673 4.255 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.905 3.526 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.102 1.977 -8.931 1.00 0.00 H new ATOM 986 N GLY A 75 10.547 3.513 -4.460 1.00 0.00 N ATOM 987 CA GLY A 75 9.678 3.983 -3.401 1.00 0.00 C ATOM 988 C GLY A 75 9.288 5.434 -3.584 1.00 0.00 C ATOM 989 O GLY A 75 10.151 6.298 -3.780 1.00 0.00 O ATOM 0 H GLY A 75 11.541 3.678 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.779 3.368 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.179 3.861 -2.441 1.00 0.00 H new ATOM 993 N PHE A 76 7.994 5.709 -3.514 1.00 0.00 N ATOM 994 CA PHE A 76 7.485 7.061 -3.679 1.00 0.00 C ATOM 995 C PHE A 76 6.604 7.436 -2.499 1.00 0.00 C ATOM 996 O PHE A 76 5.992 6.570 -1.869 1.00 0.00 O ATOM 997 CB PHE A 76 6.661 7.175 -4.966 1.00 0.00 C ATOM 998 CG PHE A 76 7.465 7.342 -6.229 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.374 6.379 -6.635 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.289 8.463 -7.024 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.095 6.532 -7.802 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.007 8.621 -8.196 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.910 7.656 -8.584 1.00 0.00 C ATOM 0 H PHE A 76 7.273 5.008 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 76 8.338 7.737 -3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.043 6.283 -5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.983 8.023 -4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.521 5.496 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.582 9.223 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.803 5.774 -8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.860 9.500 -8.806 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.472 7.778 -9.498 1.00 0.00 H new ATOM 1013 N LEU A 77 6.553 8.720 -2.194 1.00 0.00 N ATOM 1014 CA LEU A 77 5.724 9.210 -1.108 1.00 0.00 C ATOM 1015 C LEU A 77 4.308 9.442 -1.621 1.00 0.00 C ATOM 1016 O LEU A 77 4.050 9.292 -2.816 1.00 0.00 O ATOM 1017 CB LEU A 77 6.290 10.509 -0.535 1.00 0.00 C ATOM 1018 CG LEU A 77 7.784 10.487 -0.198 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.230 11.851 0.304 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.092 9.416 0.842 1.00 0.00 C ATOM 0 H LEU A 77 7.078 9.444 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 77 5.710 8.465 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.109 11.310 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.735 10.758 0.370 1.00 0.00 H new ATOM 0 HG LEU A 77 8.335 10.247 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.294 11.822 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.050 12.599 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.667 12.111 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.159 9.421 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.531 9.622 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.807 8.439 0.453 1.00 0.00 H new ATOM 1032 N PHE A 78 3.394 9.817 -0.735 1.00 0.00 N ATOM 1033 CA PHE A 78 2.014 10.072 -1.132 1.00 0.00 C ATOM 1034 C PHE A 78 1.944 11.273 -2.073 1.00 0.00 C ATOM 1035 O PHE A 78 1.072 11.357 -2.937 1.00 0.00 O ATOM 1036 CB PHE A 78 1.129 10.309 0.102 1.00 0.00 C ATOM 1037 CG PHE A 78 -0.295 10.657 -0.236 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -1.183 9.677 -0.638 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.736 11.969 -0.168 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -2.488 9.998 -0.965 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -2.036 12.298 -0.498 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.914 11.311 -0.898 1.00 0.00 C ATOM 0 H PHE A 78 3.581 9.951 0.259 1.00 0.00 H new ATOM 0 HA PHE A 78 1.642 9.193 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.138 9.413 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.559 11.114 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.854 8.650 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.054 12.745 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.174 9.223 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.365 13.325 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.931 11.564 -1.158 1.00 0.00 H new ATOM 1052 N ASP A 79 2.880 12.194 -1.903 1.00 0.00 N ATOM 1053 CA ASP A 79 2.935 13.394 -2.726 1.00 0.00 C ATOM 1054 C ASP A 79 3.373 13.066 -4.152 1.00 0.00 C ATOM 1055 O ASP A 79 3.062 13.799 -5.091 1.00 0.00 O ATOM 1056 CB ASP A 79 3.882 14.415 -2.096 1.00 0.00 C ATOM 1057 CG ASP A 79 5.321 14.226 -2.523 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.860 13.115 -2.345 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.918 15.187 -3.040 1.00 0.00 O ATOM 0 H ASP A 79 3.616 12.133 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 79 1.934 13.822 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.557 15.420 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.818 14.341 -1.010 1.00 0.00 H new ATOM 1064 N GLY A 80 4.094 11.963 -4.310 1.00 0.00 N ATOM 1065 CA GLY A 80 4.544 11.558 -5.626 1.00 0.00 C ATOM 1066 C GLY A 80 6.048 11.682 -5.812 1.00 0.00 C ATOM 1067 O GLY A 80 6.556 11.501 -6.920 1.00 0.00 O ATOM 0 H GLY A 80 4.375 11.343 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.247 10.524 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.041 12.166 -6.378 1.00 0.00 H new ATOM 1071 N THR A 81 6.760 12.002 -4.739 1.00 0.00 N ATOM 1072 CA THR A 81 8.212 12.141 -4.800 1.00 0.00 C ATOM 1073 C THR A 81 8.909 10.802 -4.556 1.00 0.00 C ATOM 1074 O THR A 81 8.496 10.021 -3.699 1.00 0.00 O ATOM 1075 CB THR A 81 8.719 13.179 -3.771 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.143 14.460 -4.053 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.235 13.292 -3.805 1.00 0.00 C ATOM 0 H THR A 81 6.358 12.170 -3.817 1.00 0.00 H new ATOM 0 HA THR A 81 8.456 12.488 -5.804 1.00 0.00 H new ATOM 0 HB THR A 81 8.419 12.845 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.512 14.699 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.561 14.029 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.677 12.324 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.554 13.604 -4.799 1.00 0.00 H new ATOM 1085 N ARG A 82 9.956 10.547 -5.328 1.00 0.00 N ATOM 1086 CA ARG A 82 10.734 9.325 -5.201 1.00 0.00 C ATOM 1087 C ARG A 82 11.796 9.499 -4.129 1.00 0.00 C ATOM 1088 O ARG A 82 12.629 10.398 -4.212 1.00 0.00 O ATOM 1089 CB ARG A 82 11.395 8.983 -6.537 1.00 0.00 C ATOM 1090 CG ARG A 82 12.301 7.761 -6.495 1.00 0.00 C ATOM 1091 CD ARG A 82 13.105 7.634 -7.776 1.00 0.00 C ATOM 1092 NE ARG A 82 14.522 7.935 -7.568 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.107 9.084 -7.909 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.409 10.045 -8.503 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.399 9.257 -7.669 1.00 0.00 N ATOM 0 H ARG A 82 10.288 11.179 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 82 10.069 8.510 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.617 8.818 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.978 9.841 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.977 7.835 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.700 6.864 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.003 6.622 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.698 8.310 -8.528 1.00 0.00 H new ATOM 0 HE ARG A 82 15.102 7.217 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.418 9.907 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.864 10.921 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.939 8.514 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.853 10.133 -7.927 1.00 0.00 H new ATOM 1109 N TRP A 83 11.756 8.651 -3.117 1.00 0.00 N ATOM 1110 CA TRP A 83 12.727 8.727 -2.039 1.00 0.00 C ATOM 1111 C TRP A 83 13.968 7.918 -2.398 1.00 0.00 C ATOM 1112 O TRP A 83 15.098 8.345 -2.156 1.00 0.00 O ATOM 1113 CB TRP A 83 12.120 8.228 -0.725 1.00 0.00 C ATOM 1114 CG TRP A 83 12.919 8.629 0.478 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.014 7.991 0.986 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.691 9.764 1.321 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.486 8.663 2.085 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.688 9.751 2.318 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.745 10.788 1.335 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.762 10.721 3.312 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.819 11.751 2.322 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.820 11.712 3.300 1.00 0.00 C ATOM 0 H TRP A 83 11.066 7.906 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 83 13.014 9.769 -1.902 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.107 8.618 -0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.042 7.141 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.446 7.088 0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.300 8.395 2.639 1.00 0.00 H new ATOM 0 HE3 TRP A 83 10.967 10.827 0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.535 10.693 4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.091 12.549 2.340 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.849 12.479 4.059 1.00 0.00 H new ATOM 1133 N GLY A 84 13.749 6.758 -2.996 1.00 0.00 N ATOM 1134 CA GLY A 84 14.848 5.904 -3.390 1.00 0.00 C ATOM 1135 C GLY A 84 14.361 4.547 -3.830 1.00 0.00 C ATOM 1136 O GLY A 84 13.159 4.285 -3.811 1.00 0.00 O ATOM 0 H GLY A 84 12.823 6.391 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.403 6.374 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.540 5.791 -2.555 1.00 0.00 H new ATOM 1140 N THR A 85 15.284 3.691 -4.230 1.00 0.00 N ATOM 1141 CA THR A 85 14.940 2.352 -4.669 1.00 0.00 C ATOM 1142 C THR A 85 14.804 1.416 -3.474 1.00 0.00 C ATOM 1143 O THR A 85 15.679 1.369 -2.615 1.00 0.00 O ATOM 1144 CB THR A 85 16.010 1.800 -5.623 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.597 2.883 -6.357 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.408 0.794 -6.597 1.00 0.00 C ATOM 0 H THR A 85 16.282 3.901 -4.260 1.00 0.00 H new ATOM 0 HA THR A 85 13.987 2.409 -5.195 1.00 0.00 H new ATOM 0 HB THR A 85 16.772 1.292 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.281 2.533 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.187 0.419 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.975 -0.037 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.631 1.279 -7.188 1.00 0.00 H new ATOM 1154 N VAL A 86 13.705 0.680 -3.417 1.00 0.00 N ATOM 1155 CA VAL A 86 13.471 -0.251 -2.325 1.00 0.00 C ATOM 1156 C VAL A 86 13.569 -1.680 -2.836 1.00 0.00 C ATOM 1157 O VAL A 86 13.013 -2.020 -3.883 1.00 0.00 O ATOM 1158 CB VAL A 86 12.094 -0.047 -1.663 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.153 -0.439 -0.199 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.616 1.387 -1.812 1.00 0.00 C ATOM 0 H VAL A 86 12.961 0.710 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 86 14.236 -0.060 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 86 11.376 -0.690 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.174 -0.290 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.437 -1.488 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.890 0.179 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.642 1.497 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.331 2.060 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.531 1.634 -2.870 1.00 0.00 H new ATOM 1170 N ASP A 87 14.277 -2.519 -2.100 1.00 0.00 N ATOM 1171 CA ASP A 87 14.456 -3.904 -2.503 1.00 0.00 C ATOM 1172 C ASP A 87 13.889 -4.873 -1.473 1.00 0.00 C ATOM 1173 O ASP A 87 14.244 -4.826 -0.292 1.00 0.00 O ATOM 1174 CB ASP A 87 15.938 -4.201 -2.721 1.00 0.00 C ATOM 1175 CG ASP A 87 16.182 -5.652 -3.069 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.120 -5.997 -4.268 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.421 -6.457 -2.144 1.00 0.00 O ATOM 0 H ASP A 87 14.736 -2.268 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 87 13.909 -4.045 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.320 -3.567 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.495 -3.946 -1.819 1.00 0.00 H new ATOM 1182 N CYS A 88 13.014 -5.753 -1.933 1.00 0.00 N ATOM 1183 CA CYS A 88 12.410 -6.754 -1.070 1.00 0.00 C ATOM 1184 C CYS A 88 12.979 -8.134 -1.390 1.00 0.00 C ATOM 1185 O CYS A 88 12.316 -9.154 -1.212 1.00 0.00 O ATOM 1186 CB CYS A 88 10.886 -6.755 -1.224 1.00 0.00 C ATOM 1187 SG CYS A 88 10.035 -5.455 -0.269 1.00 0.00 S ATOM 0 H CYS A 88 12.705 -5.794 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 88 12.646 -6.507 -0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.639 -6.635 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.502 -7.727 -0.915 1.00 0.00 H new ATOM 1192 N THR A 89 14.214 -8.157 -1.880 1.00 0.00 N ATOM 1193 CA THR A 89 14.879 -9.407 -2.199 1.00 0.00 C ATOM 1194 C THR A 89 15.491 -9.988 -0.936 1.00 0.00 C ATOM 1195 O THR A 89 15.437 -11.192 -0.693 1.00 0.00 O ATOM 1196 CB THR A 89 15.966 -9.208 -3.276 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.413 -8.517 -4.403 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.547 -10.536 -3.732 1.00 0.00 C ATOM 0 H THR A 89 14.771 -7.323 -2.063 1.00 0.00 H new ATOM 0 HA THR A 89 14.140 -10.099 -2.601 1.00 0.00 H new ATOM 0 HB THR A 89 16.769 -8.617 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.818 -7.627 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.309 -10.358 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.995 -11.049 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.754 -11.155 -4.152 1.00 0.00 H new ATOM 1206 N THR A 90 16.047 -9.112 -0.116 1.00 0.00 N ATOM 1207 CA THR A 90 16.648 -9.519 1.138 1.00 0.00 C ATOM 1208 C THR A 90 15.870 -8.906 2.304 1.00 0.00 C ATOM 1209 O THR A 90 16.298 -8.957 3.457 1.00 0.00 O ATOM 1210 CB THR A 90 18.140 -9.112 1.200 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.812 -9.843 2.235 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.296 -7.613 1.437 1.00 0.00 C ATOM 0 H THR A 90 16.093 -8.110 -0.300 1.00 0.00 H new ATOM 0 HA THR A 90 16.601 -10.606 1.211 1.00 0.00 H new ATOM 0 HB THR A 90 18.592 -9.353 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.261 -9.844 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.355 -7.359 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.821 -7.065 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.824 -7.343 2.381 1.00 0.00 H new ATOM 1220 N ALA A 91 14.716 -8.330 1.984 1.00 0.00 N ATOM 1221 CA ALA A 91 13.856 -7.708 2.980 1.00 0.00 C ATOM 1222 C ALA A 91 12.402 -8.063 2.700 1.00 0.00 C ATOM 1223 O ALA A 91 12.094 -8.645 1.660 1.00 0.00 O ATOM 1224 CB ALA A 91 14.046 -6.199 2.975 1.00 0.00 C ATOM 0 H ALA A 91 14.353 -8.282 1.032 1.00 0.00 H new ATOM 0 HA ALA A 91 14.127 -8.084 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.396 -5.748 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.085 -5.962 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.793 -5.804 1.991 1.00 0.00 H new ATOM 1230 N ALA A 92 11.512 -7.724 3.620 1.00 0.00 N ATOM 1231 CA ALA A 92 10.099 -8.023 3.449 1.00 0.00 C ATOM 1232 C ALA A 92 9.312 -6.776 3.057 1.00 0.00 C ATOM 1233 O ALA A 92 9.547 -5.689 3.585 1.00 0.00 O ATOM 1234 CB ALA A 92 9.530 -8.632 4.722 1.00 0.00 C ATOM 0 H ALA A 92 11.742 -7.243 4.490 1.00 0.00 H new ATOM 0 HA ALA A 92 10.004 -8.746 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.472 -8.851 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.063 -9.554 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.647 -7.928 5.546 1.00 0.00 H new ATOM 1240 N CYS A 93 8.388 -6.944 2.124 1.00 0.00 N ATOM 1241 CA CYS A 93 7.550 -5.848 1.664 1.00 0.00 C ATOM 1242 C CYS A 93 6.345 -5.697 2.587 1.00 0.00 C ATOM 1243 O CYS A 93 6.036 -6.601 3.367 1.00 0.00 O ATOM 1244 CB CYS A 93 7.082 -6.105 0.227 1.00 0.00 C ATOM 1245 SG CYS A 93 8.168 -5.416 -1.069 1.00 0.00 S ATOM 0 H CYS A 93 8.199 -7.836 1.667 1.00 0.00 H new ATOM 0 HA CYS A 93 8.132 -4.926 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.997 -7.181 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.083 -5.685 0.105 1.00 0.00 H new ATOM 1250 N GLN A 94 5.678 -4.558 2.509 1.00 0.00 N ATOM 1251 CA GLN A 94 4.512 -4.305 3.336 1.00 0.00 C ATOM 1252 C GLN A 94 3.422 -3.594 2.542 1.00 0.00 C ATOM 1253 O GLN A 94 3.678 -3.014 1.483 1.00 0.00 O ATOM 1254 CB GLN A 94 4.910 -3.481 4.564 1.00 0.00 C ATOM 1255 CG GLN A 94 5.389 -2.076 4.236 1.00 0.00 C ATOM 1256 CD GLN A 94 6.258 -1.481 5.327 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.484 -1.569 5.276 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.630 -0.887 6.328 1.00 0.00 N ATOM 0 H GLN A 94 5.925 -3.793 1.881 1.00 0.00 H new ATOM 0 HA GLN A 94 4.111 -5.262 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.055 -3.415 5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.699 -4.007 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.950 -2.097 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.525 -1.431 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.611 -0.835 6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.164 -0.480 7.096 1.00 0.00 H new ATOM 1267 N VAL A 95 2.202 -3.668 3.047 1.00 0.00 N ATOM 1268 CA VAL A 95 1.063 -3.029 2.407 1.00 0.00 C ATOM 1269 C VAL A 95 0.833 -1.655 3.014 1.00 0.00 C ATOM 1270 O VAL A 95 0.605 -1.533 4.219 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.224 -3.872 2.553 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.343 -3.303 1.692 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.043 -5.326 2.193 1.00 0.00 C ATOM 0 H VAL A 95 1.973 -4.169 3.906 1.00 0.00 H new ATOM 0 HA VAL A 95 1.292 -2.937 1.345 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.541 -3.830 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.239 -3.912 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.556 -2.280 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.036 -3.309 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.876 -5.902 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.390 -5.388 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.807 -5.731 2.857 1.00 0.00 H new ATOM 1283 N GLY A 96 0.899 -0.627 2.186 1.00 0.00 N ATOM 1284 CA GLY A 96 0.703 0.722 2.669 1.00 0.00 C ATOM 1285 C GLY A 96 -0.626 1.298 2.243 1.00 0.00 C ATOM 1286 O GLY A 96 -0.962 1.289 1.058 1.00 0.00 O ATOM 0 H GLY A 96 1.085 -0.702 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.767 0.728 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.507 1.358 2.299 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.379 1.797 3.212 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.685 2.380 2.949 1.00 0.00 C ATOM 1292 C LEU A 97 -2.722 3.824 3.433 1.00 0.00 C ATOM 1293 O LEU A 97 -2.722 4.084 4.637 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.786 1.562 3.642 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.694 0.043 3.450 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.987 -0.613 4.629 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.078 -0.556 3.253 1.00 0.00 C ATOM 0 H LEU A 97 -1.105 1.809 4.194 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.863 2.363 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.759 1.779 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.754 1.900 3.272 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.105 -0.150 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.935 -1.690 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.978 -0.210 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.542 -0.409 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.992 -1.634 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.693 -0.347 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.543 -0.116 2.370 1.00 0.00 H new ATOM 1309 N SER A 98 -2.722 4.763 2.498 1.00 0.00 N ATOM 1310 CA SER A 98 -2.761 6.177 2.842 1.00 0.00 C ATOM 1311 C SER A 98 -3.889 6.885 2.098 1.00 0.00 C ATOM 1312 O SER A 98 -4.038 6.732 0.889 1.00 0.00 O ATOM 1313 CB SER A 98 -1.419 6.835 2.522 1.00 0.00 C ATOM 1314 OG SER A 98 -0.355 6.128 3.132 1.00 0.00 O ATOM 0 H SER A 98 -2.695 4.572 1.496 1.00 0.00 H new ATOM 0 HA SER A 98 -2.951 6.265 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.271 6.864 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.423 7.868 2.871 1.00 0.00 H new ATOM 0 HG SER A 98 0.495 6.564 2.914 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.700 7.629 2.830 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.810 8.369 2.240 1.00 0.00 C ATOM 1322 C ASP A 99 -5.351 9.758 1.803 1.00 0.00 C ATOM 1323 O ASP A 99 -4.156 10.052 1.810 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.963 8.484 3.242 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.742 9.574 4.271 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.637 9.655 4.840 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.675 10.365 4.510 1.00 0.00 O ATOM 0 H ASP A 99 -4.612 7.739 3.840 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.161 7.826 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.889 8.683 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.091 7.530 3.753 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.309 10.610 1.445 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.016 11.970 1.000 1.00 0.00 C ATOM 1334 C ALA A 100 -5.283 12.772 2.074 1.00 0.00 C ATOM 1335 O ALA A 100 -4.542 13.706 1.768 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.301 12.678 0.594 1.00 0.00 C ATOM 0 H ALA A 100 -7.303 10.380 1.455 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.356 11.901 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.070 13.691 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.776 12.131 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.978 12.720 1.447 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.493 12.408 3.334 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.847 13.098 4.443 1.00 0.00 C ATOM 1344 C ALA A 101 -3.475 12.499 4.729 1.00 0.00 C ATOM 1345 O ALA A 101 -2.544 13.206 5.123 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.720 13.044 5.687 1.00 0.00 C ATOM 0 H ALA A 101 -6.104 11.640 3.612 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.711 14.142 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.221 13.564 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.677 13.524 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.889 12.005 5.968 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.357 11.195 4.528 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.103 10.512 4.763 1.00 0.00 C ATOM 1354 C GLY A 102 -2.200 9.496 5.884 1.00 0.00 C ATOM 1355 O GLY A 102 -1.190 9.128 6.491 1.00 0.00 O ATOM 0 H GLY A 102 -4.115 10.594 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.788 10.010 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.333 11.245 5.006 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.417 9.047 6.167 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.657 8.060 7.215 1.00 0.00 C ATOM 1361 C ASN A 103 -4.521 6.934 6.660 1.00 0.00 C ATOM 1362 O ASN A 103 -4.545 6.706 5.451 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.356 8.694 8.428 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.764 10.029 8.827 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.715 10.094 9.469 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.438 11.109 8.466 1.00 0.00 N ATOM 0 H ASN A 103 -4.260 9.353 5.681 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.695 7.667 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.414 8.826 8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.294 8.009 9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.092 12.034 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.304 11.016 7.934 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.227 6.237 7.537 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.086 5.155 7.104 1.00 0.00 C ATOM 1375 C GLY A 104 -5.814 3.879 7.866 1.00 0.00 C ATOM 1376 O GLY A 104 -5.356 3.930 9.010 1.00 0.00 O ATOM 0 H GLY A 104 -5.220 6.402 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.129 5.443 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.939 4.980 6.038 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.093 2.716 7.263 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.858 1.415 7.897 1.00 0.00 C ATOM 1382 C PRO A 105 -4.378 1.190 8.195 1.00 0.00 C ATOM 1383 O PRO A 105 -3.507 1.761 7.534 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.363 0.402 6.862 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.250 1.186 5.955 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.678 2.573 5.920 1.00 0.00 C ATOM 0 HA PRO A 105 -6.364 1.331 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.535 -0.047 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.908 -0.412 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.274 0.748 4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.276 1.195 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.927 2.682 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.446 3.323 5.731 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.099 0.366 9.194 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.729 0.077 9.588 1.00 0.00 C ATOM 1396 C GLU A 106 -2.027 -0.780 8.538 1.00 0.00 C ATOM 1397 O GLU A 106 -2.655 -1.607 7.875 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.710 -0.629 10.944 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.375 -0.543 11.659 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.424 -1.170 13.033 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.335 -2.411 13.123 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.570 -0.428 14.028 1.00 0.00 O ATOM 0 H GLU A 106 -4.807 -0.116 9.748 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.191 1.021 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.481 -0.195 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.968 -1.678 10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.611 -1.041 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.079 0.502 11.748 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.727 -0.565 8.385 1.00 0.00 N ATOM 1410 CA GLY A 107 0.041 -1.313 7.413 1.00 0.00 C ATOM 1411 C GLY A 107 0.333 -2.728 7.869 1.00 0.00 C ATOM 1412 O GLY A 107 0.518 -2.981 9.063 1.00 0.00 O ATOM 0 H GLY A 107 -0.190 0.118 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.504 -1.344 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.981 -0.795 7.221 1.00 0.00 H new ATOM 1416 N VAL A 108 0.370 -3.650 6.921 1.00 0.00 N ATOM 1417 CA VAL A 108 0.642 -5.049 7.221 1.00 0.00 C ATOM 1418 C VAL A 108 1.829 -5.534 6.398 1.00 0.00 C ATOM 1419 O VAL A 108 1.880 -5.317 5.186 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.583 -5.950 6.925 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.407 -7.320 7.562 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.872 -5.294 7.403 1.00 0.00 C ATOM 0 H VAL A 108 0.214 -3.455 5.932 1.00 0.00 H new ATOM 0 HA VAL A 108 0.867 -5.118 8.285 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.653 -6.080 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.278 -7.938 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.487 -7.796 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.304 -7.209 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.716 -5.948 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.816 -5.123 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.007 -4.342 6.891 1.00 0.00 H new ATOM 1432 N ALA A 109 2.783 -6.180 7.051 1.00 0.00 N ATOM 1433 CA ALA A 109 3.963 -6.684 6.366 1.00 0.00 C ATOM 1434 C ALA A 109 3.727 -8.092 5.836 1.00 0.00 C ATOM 1435 O ALA A 109 3.062 -8.907 6.476 1.00 0.00 O ATOM 1436 CB ALA A 109 5.165 -6.665 7.297 1.00 0.00 C ATOM 0 H ALA A 109 2.763 -6.367 8.053 1.00 0.00 H new ATOM 0 HA ALA A 109 4.166 -6.031 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.040 -7.045 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.355 -5.643 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.963 -7.293 8.165 1.00 0.00 H new ATOM 1442 N ILE A 110 4.271 -8.372 4.662 1.00 0.00 N ATOM 1443 CA ILE A 110 4.129 -9.683 4.053 1.00 0.00 C ATOM 1444 C ILE A 110 5.439 -10.448 4.179 1.00 0.00 C ATOM 1445 O ILE A 110 6.413 -9.928 4.725 1.00 0.00 O ATOM 1446 CB ILE A 110 3.717 -9.593 2.565 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.865 -9.046 1.711 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.475 -8.725 2.409 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.682 -9.294 0.229 1.00 0.00 C ATOM 0 H ILE A 110 4.815 -7.707 4.112 1.00 0.00 H new ATOM 0 HA ILE A 110 3.334 -10.209 4.581 1.00 0.00 H new ATOM 0 HB ILE A 110 3.485 -10.599 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.958 -7.974 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.800 -9.503 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.198 -8.672 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.654 -9.159 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.683 -7.722 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.531 -8.881 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.619 -10.366 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.764 -8.813 -0.110 1.00 0.00 H new ATOM 1461 N SER A 111 5.467 -11.676 3.691 1.00 0.00 N ATOM 1462 CA SER A 111 6.669 -12.489 3.766 1.00 0.00 C ATOM 1463 C SER A 111 6.749 -13.437 2.578 1.00 0.00 C ATOM 1464 O SER A 111 5.738 -13.983 2.142 1.00 0.00 O ATOM 1465 CB SER A 111 6.697 -13.278 5.081 1.00 0.00 C ATOM 1466 OG SER A 111 6.657 -12.400 6.194 1.00 0.00 O ATOM 0 H SER A 111 4.674 -12.131 3.240 1.00 0.00 H new ATOM 0 HA SER A 111 7.535 -11.828 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.848 -13.961 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.599 -13.888 5.125 1.00 0.00 H new ATOM 0 HG SER A 111 6.674 -12.922 7.023 1.00 0.00 H new ATOM 1472 N PHE A 112 7.948 -13.612 2.048 1.00 0.00 N ATOM 1473 CA PHE A 112 8.161 -14.494 0.915 1.00 0.00 C ATOM 1474 C PHE A 112 8.711 -15.829 1.393 1.00 0.00 C ATOM 1475 O PHE A 112 9.388 -15.896 2.424 1.00 0.00 O ATOM 1476 CB PHE A 112 9.134 -13.862 -0.085 1.00 0.00 C ATOM 1477 CG PHE A 112 8.810 -12.438 -0.441 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.835 -12.150 -1.382 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.485 -11.390 0.160 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.539 -10.843 -1.717 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.194 -10.081 -0.169 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.219 -9.807 -1.109 1.00 0.00 C ATOM 0 H PHE A 112 8.793 -13.152 2.387 1.00 0.00 H new ATOM 0 HA PHE A 112 7.204 -14.654 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.141 -13.901 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.141 -14.460 -0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.300 -12.957 -1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.248 -11.598 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.777 -10.632 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.728 -9.272 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.989 -8.784 -1.368 1.00 0.00 H new ATOM 1492 N ASN A 113 8.413 -16.886 0.659 1.00 0.00 N ATOM 1493 CA ASN A 113 8.894 -18.214 1.013 1.00 0.00 C ATOM 1494 C ASN A 113 10.295 -18.413 0.464 1.00 0.00 C ATOM 1495 O ASN A 113 11.084 -19.139 1.093 1.00 0.00 O ATOM 1496 CB ASN A 113 7.956 -19.320 0.498 1.00 0.00 C ATOM 1497 CG ASN A 113 7.796 -19.315 -1.009 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.633 -19.839 -1.743 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.698 -18.747 -1.478 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.616 -17.805 -0.580 1.00 0.00 O ATOM 0 H ASN A 113 7.841 -16.853 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 113 8.913 -18.286 2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.342 -20.290 0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.976 -19.201 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.520 -18.733 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.029 -18.323 -0.835 1.00 0.00 H new