USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 709 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 74 LYS NZ :NH3+ -129:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -2.24! C(o=-1.9!,f=-12!) USER MOD Set 1.3: A 83 SER OG : rot -170:sc= -0.782 USER MOD Set 2.1: A 33 MET CE :methyl -158:sc= -5.58! (180deg=-0.0326) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -5.24! C(o=-11!,f=-10!) USER MOD Set 3.1: A 39 SER OG : rot 130:sc= 1.33 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.445 USER MOD Set 4.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 36 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.026) 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 11 SER OG : rot 43:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -128:sc= 0.266 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -129:sc= -0.365 (180deg=-1.41!) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0155) USER MOD Single : A 55 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.57) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 21:sc= -0.321 USER MOD Single : A 64 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.31) USER MOD Single : A 66 MET CE :methyl -109:sc= -0.969 (180deg=-3.55!) USER MOD Single : A 69 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-6.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc=-0.00111 K(o=-0.0011,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -57:sc= 0.0224 USER MOD Single : A 100 SER OG : rot 7:sc= 0.965 USER MOD Single : A 101 SER OG : rot 77:sc= 0.745 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.939 7.364 16.784 1.00 0.00 N ATOM 2 CA GLY A 1 -17.325 6.162 17.499 1.00 0.00 C ATOM 3 C GLY A 1 -16.858 4.898 16.804 1.00 0.00 C ATOM 4 O GLY A 1 -15.663 4.608 16.767 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.282 8.200 17.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.903 7.405 16.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.356 7.350 15.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.910 6.193 18.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.410 6.137 17.602 1.00 0.00 H new ATOM 8 N SER A 2 -17.804 4.144 16.252 1.00 0.00 N ATOM 9 CA SER A 2 -17.483 2.902 15.559 1.00 0.00 C ATOM 10 C SER A 2 -18.132 2.867 14.179 1.00 0.00 C ATOM 11 O SER A 2 -18.985 3.695 13.861 1.00 0.00 O ATOM 12 CB SER A 2 -17.947 1.699 16.384 1.00 0.00 C ATOM 13 OG SER A 2 -19.353 1.711 16.557 1.00 0.00 O ATOM 0 H SER A 2 -18.798 4.372 16.271 1.00 0.00 H new ATOM 0 HA SER A 2 -16.401 2.853 15.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.646 0.776 15.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.458 1.711 17.358 1.00 0.00 H new ATOM 0 HG SER A 2 -19.624 0.932 17.086 1.00 0.00 H new ATOM 19 N SER A 3 -17.720 1.901 13.363 1.00 0.00 N ATOM 20 CA SER A 3 -18.258 1.759 12.015 1.00 0.00 C ATOM 21 C SER A 3 -18.478 0.289 11.670 1.00 0.00 C ATOM 22 O SER A 3 -17.911 -0.600 12.304 1.00 0.00 O ATOM 23 CB SER A 3 -17.312 2.398 10.996 1.00 0.00 C ATOM 24 OG SER A 3 -16.003 1.865 11.112 1.00 0.00 O ATOM 0 H SER A 3 -17.016 1.206 13.612 1.00 0.00 H new ATOM 0 HA SER A 3 -19.220 2.271 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.690 2.228 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.284 3.477 11.148 1.00 0.00 H new ATOM 0 HG SER A 3 -15.418 2.288 10.449 1.00 0.00 H new ATOM 30 N GLY A 4 -19.306 0.042 10.660 1.00 0.00 N ATOM 31 CA GLY A 4 -19.588 -1.320 10.247 1.00 0.00 C ATOM 32 C GLY A 4 -18.715 -1.768 9.091 1.00 0.00 C ATOM 33 O GLY A 4 -18.946 -1.383 7.945 1.00 0.00 O ATOM 0 H GLY A 4 -19.787 0.761 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.438 -1.991 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.636 -1.399 9.959 1.00 0.00 H new ATOM 37 N SER A 5 -17.709 -2.582 9.393 1.00 0.00 N ATOM 38 CA SER A 5 -16.795 -3.078 8.370 1.00 0.00 C ATOM 39 C SER A 5 -16.918 -4.592 8.219 1.00 0.00 C ATOM 40 O SER A 5 -16.527 -5.349 9.107 1.00 0.00 O ATOM 41 CB SER A 5 -15.353 -2.706 8.721 1.00 0.00 C ATOM 42 OG SER A 5 -14.434 -3.353 7.857 1.00 0.00 O ATOM 0 H SER A 5 -17.506 -2.912 10.337 1.00 0.00 H new ATOM 0 HA SER A 5 -17.063 -2.612 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.225 -1.626 8.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.144 -2.984 9.754 1.00 0.00 H new ATOM 0 HG SER A 5 -13.520 -3.098 8.101 1.00 0.00 H new ATOM 48 N SER A 6 -17.466 -5.024 7.088 1.00 0.00 N ATOM 49 CA SER A 6 -17.646 -6.446 6.821 1.00 0.00 C ATOM 50 C SER A 6 -18.073 -6.677 5.374 1.00 0.00 C ATOM 51 O SER A 6 -18.777 -5.859 4.785 1.00 0.00 O ATOM 52 CB SER A 6 -18.688 -7.038 7.772 1.00 0.00 C ATOM 53 OG SER A 6 -19.879 -6.270 7.767 1.00 0.00 O ATOM 0 H SER A 6 -17.793 -4.410 6.342 1.00 0.00 H new ATOM 0 HA SER A 6 -16.691 -6.945 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.912 -8.063 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.281 -7.078 8.783 1.00 0.00 H new ATOM 0 HG SER A 6 -20.529 -6.670 8.381 1.00 0.00 H new ATOM 59 N GLY A 7 -17.639 -7.800 4.808 1.00 0.00 N ATOM 60 CA GLY A 7 -17.985 -8.120 3.435 1.00 0.00 C ATOM 61 C GLY A 7 -16.807 -8.668 2.654 1.00 0.00 C ATOM 62 O GLY A 7 -15.653 -8.438 3.014 1.00 0.00 O ATOM 0 H GLY A 7 -17.055 -8.493 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.794 -8.851 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.361 -7.225 2.940 1.00 0.00 H new ATOM 66 N ARG A 8 -17.099 -9.397 1.581 1.00 0.00 N ATOM 67 CA ARG A 8 -16.056 -9.982 0.748 1.00 0.00 C ATOM 68 C ARG A 8 -15.662 -9.032 -0.378 1.00 0.00 C ATOM 69 O ARG A 8 -16.519 -8.493 -1.077 1.00 0.00 O ATOM 70 CB ARG A 8 -16.528 -11.315 0.164 1.00 0.00 C ATOM 71 CG ARG A 8 -16.614 -12.433 1.189 1.00 0.00 C ATOM 72 CD ARG A 8 -16.740 -13.794 0.521 1.00 0.00 C ATOM 73 NE ARG A 8 -18.034 -13.965 -0.133 1.00 0.00 N ATOM 74 CZ ARG A 8 -18.246 -14.814 -1.132 1.00 0.00 C ATOM 75 NH1 ARG A 8 -17.255 -15.565 -1.590 1.00 0.00 N ATOM 76 NH2 ARG A 8 -19.453 -14.913 -1.675 1.00 0.00 N ATOM 0 H ARG A 8 -18.049 -9.596 1.269 1.00 0.00 H new ATOM 0 HA ARG A 8 -15.181 -10.157 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.508 -11.175 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.846 -11.615 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.726 -12.418 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.472 -12.266 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.944 -13.912 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.604 -14.578 1.266 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.818 -13.402 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.326 -15.492 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.421 -16.216 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.218 -14.337 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.615 -15.565 -2.442 1.00 0.00 H new ATOM 90 N ALA A 9 -14.359 -8.830 -0.547 1.00 0.00 N ATOM 91 CA ALA A 9 -13.852 -7.946 -1.589 1.00 0.00 C ATOM 92 C ALA A 9 -12.775 -8.637 -2.419 1.00 0.00 C ATOM 93 O ALA A 9 -12.130 -9.587 -1.976 1.00 0.00 O ATOM 94 CB ALA A 9 -13.306 -6.665 -0.975 1.00 0.00 C ATOM 0 H ALA A 9 -13.636 -9.267 0.024 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.680 -7.694 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.931 -6.014 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.101 -6.155 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.495 -6.908 -0.289 1.00 0.00 H new ATOM 100 N PRO A 10 -12.576 -8.151 -3.653 1.00 0.00 N ATOM 101 CA PRO A 10 -11.578 -8.708 -4.571 1.00 0.00 C ATOM 102 C PRO A 10 -10.150 -8.419 -4.121 1.00 0.00 C ATOM 103 O PRO A 10 -9.928 -7.896 -3.029 1.00 0.00 O ATOM 104 CB PRO A 10 -11.876 -7.996 -5.893 1.00 0.00 C ATOM 105 CG PRO A 10 -12.528 -6.716 -5.496 1.00 0.00 C ATOM 106 CD PRO A 10 -13.309 -7.020 -4.247 1.00 0.00 C ATOM 0 HA PRO A 10 -11.642 -9.794 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.963 -7.816 -6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.531 -8.594 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.785 -5.940 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.183 -6.350 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.340 -6.163 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.342 -7.285 -4.473 1.00 0.00 H new ATOM 114 N SER A 11 -9.186 -8.762 -4.969 1.00 0.00 N ATOM 115 CA SER A 11 -7.779 -8.542 -4.655 1.00 0.00 C ATOM 116 C SER A 11 -7.130 -7.623 -5.686 1.00 0.00 C ATOM 117 O SER A 11 -7.161 -7.897 -6.886 1.00 0.00 O ATOM 118 CB SER A 11 -7.032 -9.876 -4.602 1.00 0.00 C ATOM 119 OG SER A 11 -7.465 -10.744 -5.635 1.00 0.00 O ATOM 0 H SER A 11 -9.353 -9.193 -5.878 1.00 0.00 H new ATOM 0 HA SER A 11 -7.721 -8.062 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.960 -9.700 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.194 -10.349 -3.633 1.00 0.00 H new ATOM 0 HG SER A 11 -7.560 -10.238 -6.469 1.00 0.00 H new ATOM 125 N VAL A 12 -6.541 -6.531 -5.209 1.00 0.00 N ATOM 126 CA VAL A 12 -5.884 -5.571 -6.088 1.00 0.00 C ATOM 127 C VAL A 12 -4.367 -5.672 -5.974 1.00 0.00 C ATOM 128 O VAL A 12 -3.639 -5.305 -6.896 1.00 0.00 O ATOM 129 CB VAL A 12 -6.317 -4.128 -5.768 1.00 0.00 C ATOM 130 CG1 VAL A 12 -7.741 -3.881 -6.241 1.00 0.00 C ATOM 131 CG2 VAL A 12 -6.186 -3.851 -4.278 1.00 0.00 C ATOM 0 H VAL A 12 -6.505 -6.289 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.187 -5.815 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.658 -3.442 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.030 -2.856 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.799 -4.037 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.417 -4.573 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.496 -2.827 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.820 -4.542 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.148 -3.985 -3.973 1.00 0.00 H new ATOM 141 N ALA A 13 -3.896 -6.171 -4.836 1.00 0.00 N ATOM 142 CA ALA A 13 -2.465 -6.323 -4.602 1.00 0.00 C ATOM 143 C ALA A 13 -2.007 -7.746 -4.904 1.00 0.00 C ATOM 144 O ALA A 13 -2.812 -8.678 -4.924 1.00 0.00 O ATOM 145 CB ALA A 13 -2.123 -5.950 -3.167 1.00 0.00 C ATOM 0 H ALA A 13 -4.485 -6.477 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.938 -5.649 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.051 -6.068 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.406 -4.913 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.667 -6.601 -2.482 1.00 0.00 H new ATOM 151 N THR A 14 -0.709 -7.907 -5.140 1.00 0.00 N ATOM 152 CA THR A 14 -0.144 -9.216 -5.443 1.00 0.00 C ATOM 153 C THR A 14 0.678 -9.744 -4.273 1.00 0.00 C ATOM 154 O THR A 14 1.259 -8.972 -3.510 1.00 0.00 O ATOM 155 CB THR A 14 0.746 -9.166 -6.700 1.00 0.00 C ATOM 156 OG1 THR A 14 0.249 -8.182 -7.613 1.00 0.00 O ATOM 157 CG2 THR A 14 0.791 -10.524 -7.385 1.00 0.00 C ATOM 0 H THR A 14 -0.029 -7.147 -5.127 1.00 0.00 H new ATOM 0 HA THR A 14 -0.983 -9.888 -5.627 1.00 0.00 H new ATOM 0 HB THR A 14 1.757 -8.898 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.821 -8.155 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.425 -10.464 -8.270 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.197 -11.265 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.217 -10.816 -7.680 1.00 0.00 H new ATOM 165 N VAL A 15 0.723 -11.066 -4.137 1.00 0.00 N ATOM 166 CA VAL A 15 1.476 -11.698 -3.060 1.00 0.00 C ATOM 167 C VAL A 15 2.932 -11.911 -3.459 1.00 0.00 C ATOM 168 O VAL A 15 3.223 -12.405 -4.548 1.00 0.00 O ATOM 169 CB VAL A 15 0.860 -13.053 -2.665 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.895 -14.019 -3.840 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.586 -13.638 -1.463 1.00 0.00 C ATOM 0 H VAL A 15 0.247 -11.719 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 15 1.432 -11.024 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.182 -12.891 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.456 -14.971 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.327 -13.602 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.928 -14.178 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.138 -14.595 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.637 -13.786 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.504 -12.953 -0.619 1.00 0.00 H new ATOM 181 N GLY A 16 3.845 -11.535 -2.569 1.00 0.00 N ATOM 182 CA GLY A 16 5.261 -11.692 -2.846 1.00 0.00 C ATOM 183 C GLY A 16 5.821 -10.550 -3.669 1.00 0.00 C ATOM 184 O GLY A 16 6.959 -10.126 -3.463 1.00 0.00 O ATOM 0 H GLY A 16 3.629 -11.124 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.807 -11.759 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.422 -12.631 -3.376 1.00 0.00 H new ATOM 188 N SER A 17 5.022 -10.050 -4.606 1.00 0.00 N ATOM 189 CA SER A 17 5.447 -8.953 -5.468 1.00 0.00 C ATOM 190 C SER A 17 5.378 -7.622 -4.726 1.00 0.00 C ATOM 191 O SER A 17 4.581 -7.454 -3.803 1.00 0.00 O ATOM 192 CB SER A 17 4.576 -8.896 -6.724 1.00 0.00 C ATOM 193 OG SER A 17 5.295 -8.356 -7.819 1.00 0.00 O ATOM 0 H SER A 17 4.077 -10.387 -4.788 1.00 0.00 H new ATOM 0 HA SER A 17 6.481 -9.133 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.226 -9.898 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.692 -8.288 -6.530 1.00 0.00 H new ATOM 0 HG SER A 17 4.717 -8.332 -8.610 1.00 0.00 H new ATOM 199 N ILE A 18 6.219 -6.679 -5.137 1.00 0.00 N ATOM 200 CA ILE A 18 6.254 -5.362 -4.513 1.00 0.00 C ATOM 201 C ILE A 18 4.947 -4.610 -4.744 1.00 0.00 C ATOM 202 O ILE A 18 4.502 -4.454 -5.882 1.00 0.00 O ATOM 203 CB ILE A 18 7.423 -4.515 -5.049 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.749 -5.249 -4.843 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.451 -3.157 -4.364 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.165 -5.350 -3.393 1.00 0.00 C ATOM 0 H ILE A 18 6.885 -6.802 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 18 6.394 -5.523 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 18 7.278 -4.358 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.668 -6.253 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.531 -4.734 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.283 -2.570 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.515 -2.633 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.575 -3.294 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.114 -5.882 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.279 -4.349 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.403 -5.891 -2.833 1.00 0.00 H new ATOM 218 N CYS A 19 4.339 -4.144 -3.659 1.00 0.00 N ATOM 219 CA CYS A 19 3.084 -3.406 -3.744 1.00 0.00 C ATOM 220 C CYS A 19 3.333 -1.902 -3.702 1.00 0.00 C ATOM 221 O CYS A 19 3.577 -1.332 -2.638 1.00 0.00 O ATOM 222 CB CYS A 19 2.152 -3.812 -2.601 1.00 0.00 C ATOM 223 SG CYS A 19 0.516 -3.045 -2.675 1.00 0.00 S ATOM 0 H CYS A 19 4.694 -4.264 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 19 2.611 -3.651 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.034 -4.896 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.622 -3.550 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 19 0.248 -2.483 -1.534 1.00 0.00 H new ATOM 229 N ASP A 20 3.272 -1.265 -4.866 1.00 0.00 N ATOM 230 CA ASP A 20 3.492 0.173 -4.964 1.00 0.00 C ATOM 231 C ASP A 20 2.194 0.939 -4.726 1.00 0.00 C ATOM 232 O ASP A 20 1.164 0.640 -5.332 1.00 0.00 O ATOM 233 CB ASP A 20 4.065 0.532 -6.335 1.00 0.00 C ATOM 234 CG ASP A 20 5.457 -0.032 -6.546 1.00 0.00 C ATOM 235 OD1 ASP A 20 6.348 0.263 -5.723 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.654 -0.769 -7.535 1.00 0.00 O ATOM 0 H ASP A 20 3.072 -1.722 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 20 4.209 0.458 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.401 0.155 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.096 1.616 -6.440 1.00 0.00 H new ATOM 241 N LEU A 21 2.250 1.926 -3.839 1.00 0.00 N ATOM 242 CA LEU A 21 1.078 2.735 -3.519 1.00 0.00 C ATOM 243 C LEU A 21 1.125 4.074 -4.248 1.00 0.00 C ATOM 244 O LEU A 21 2.192 4.664 -4.414 1.00 0.00 O ATOM 245 CB LEU A 21 0.989 2.965 -2.010 1.00 0.00 C ATOM 246 CG LEU A 21 -0.406 3.258 -1.456 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.359 2.119 -1.782 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.345 3.493 0.046 1.00 0.00 C ATOM 0 H LEU A 21 3.094 2.186 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 21 0.192 2.193 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.381 2.082 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.643 3.797 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.782 4.165 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.347 2.345 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.426 1.999 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.988 1.196 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.347 3.700 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.051 2.604 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.304 4.343 0.255 1.00 0.00 H new ATOM 260 N ASN A 22 -0.039 4.549 -4.678 1.00 0.00 N ATOM 261 CA ASN A 22 -0.130 5.820 -5.388 1.00 0.00 C ATOM 262 C ASN A 22 -0.611 6.930 -4.456 1.00 0.00 C ATOM 263 O ASN A 22 -1.793 7.002 -4.117 1.00 0.00 O ATOM 264 CB ASN A 22 -1.079 5.695 -6.581 1.00 0.00 C ATOM 265 CG ASN A 22 -0.993 4.335 -7.247 1.00 0.00 C ATOM 266 OD1 ASN A 22 -1.758 3.425 -6.926 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.060 4.191 -8.180 1.00 0.00 N ATOM 0 H ASN A 22 -0.932 4.074 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 22 0.865 6.078 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.102 5.870 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.845 6.470 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.045 3.299 -8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.552 4.973 -8.414 1.00 0.00 H new ATOM 274 N LEU A 23 0.313 7.792 -4.047 1.00 0.00 N ATOM 275 CA LEU A 23 -0.015 8.899 -3.155 1.00 0.00 C ATOM 276 C LEU A 23 0.597 10.203 -3.657 1.00 0.00 C ATOM 277 O LEU A 23 1.672 10.206 -4.257 1.00 0.00 O ATOM 278 CB LEU A 23 0.480 8.602 -1.738 1.00 0.00 C ATOM 279 CG LEU A 23 -0.456 7.771 -0.861 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.195 7.471 0.480 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.782 8.491 -0.662 1.00 0.00 C ATOM 0 H LEU A 23 1.295 7.746 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.099 9.011 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.435 8.082 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.670 9.550 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.651 6.826 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.486 6.879 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.117 6.913 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.421 8.406 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.435 7.884 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.605 9.452 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.257 8.654 -1.630 1.00 0.00 H new ATOM 293 N LYS A 24 -0.095 11.309 -3.407 1.00 0.00 N ATOM 294 CA LYS A 24 0.381 12.621 -3.830 1.00 0.00 C ATOM 295 C LYS A 24 -0.180 13.719 -2.932 1.00 0.00 C ATOM 296 O LYS A 24 -1.371 14.026 -2.982 1.00 0.00 O ATOM 297 CB LYS A 24 -0.015 12.885 -5.284 1.00 0.00 C ATOM 298 CG LYS A 24 -1.483 12.625 -5.572 1.00 0.00 C ATOM 299 CD LYS A 24 -1.700 12.183 -7.010 1.00 0.00 C ATOM 300 CE LYS A 24 -1.388 10.706 -7.192 1.00 0.00 C ATOM 301 NZ LYS A 24 -1.107 10.370 -8.616 1.00 0.00 N ATOM 0 H LYS A 24 -0.988 11.323 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 24 1.468 12.629 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.217 13.921 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.591 12.257 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.857 11.858 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.059 13.530 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.733 12.376 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.068 12.774 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.527 10.438 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.229 10.111 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.899 9.354 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.937 10.602 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.288 10.919 -8.947 1.00 0.00 H new ATOM 315 N ILE A 25 0.686 14.307 -2.113 1.00 0.00 N ATOM 316 CA ILE A 25 0.276 15.372 -1.206 1.00 0.00 C ATOM 317 C ILE A 25 1.245 16.548 -1.266 1.00 0.00 C ATOM 318 O ILE A 25 2.261 16.583 -0.571 1.00 0.00 O ATOM 319 CB ILE A 25 0.184 14.870 0.247 1.00 0.00 C ATOM 320 CG1 ILE A 25 -0.225 13.396 0.276 1.00 0.00 C ATOM 321 CG2 ILE A 25 -0.804 15.715 1.038 1.00 0.00 C ATOM 322 CD1 ILE A 25 -0.527 12.880 1.665 1.00 0.00 C ATOM 0 H ILE A 25 1.675 14.064 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.711 15.701 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 25 1.166 14.964 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.105 13.259 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.575 12.797 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.858 15.348 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.473 16.754 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.789 15.650 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.810 11.829 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.358 12.985 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.347 13.454 2.096 1.00 0.00 H new ATOM 334 N PRO A 26 0.924 17.537 -2.113 1.00 0.00 N ATOM 335 CA PRO A 26 1.752 18.734 -2.283 1.00 0.00 C ATOM 336 C PRO A 26 1.717 19.641 -1.057 1.00 0.00 C ATOM 337 O PRO A 26 2.538 20.548 -0.922 1.00 0.00 O ATOM 338 CB PRO A 26 1.119 19.436 -3.486 1.00 0.00 C ATOM 339 CG PRO A 26 -0.296 18.971 -3.494 1.00 0.00 C ATOM 340 CD PRO A 26 -0.272 17.561 -2.972 1.00 0.00 C ATOM 0 HA PRO A 26 2.804 18.486 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.179 20.520 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.628 19.171 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.920 19.608 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.713 19.007 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.176 17.325 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.201 16.834 -3.781 1.00 0.00 H new ATOM 348 N GLU A 27 0.761 19.390 -0.168 1.00 0.00 N ATOM 349 CA GLU A 27 0.620 20.185 1.046 1.00 0.00 C ATOM 350 C GLU A 27 1.460 19.603 2.179 1.00 0.00 C ATOM 351 O GLU A 27 1.750 20.283 3.164 1.00 0.00 O ATOM 352 CB GLU A 27 -0.849 20.255 1.469 1.00 0.00 C ATOM 353 CG GLU A 27 -1.623 21.377 0.799 1.00 0.00 C ATOM 354 CD GLU A 27 -2.754 21.902 1.662 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.589 21.087 2.107 1.00 0.00 O ATOM 356 OE2 GLU A 27 -2.804 23.128 1.892 1.00 0.00 O ATOM 0 H GLU A 27 0.073 18.643 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 27 0.978 21.192 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.330 19.305 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.901 20.384 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.941 22.194 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.029 21.019 -0.147 1.00 0.00 H new ATOM 363 N ILE A 28 1.847 18.340 2.032 1.00 0.00 N ATOM 364 CA ILE A 28 2.654 17.667 3.041 1.00 0.00 C ATOM 365 C ILE A 28 3.950 17.131 2.442 1.00 0.00 C ATOM 366 O ILE A 28 4.038 16.896 1.238 1.00 0.00 O ATOM 367 CB ILE A 28 1.884 16.503 3.693 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.555 16.999 4.265 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.726 15.853 4.781 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.462 15.898 4.474 1.00 0.00 C ATOM 0 H ILE A 28 1.614 17.763 1.224 1.00 0.00 H new ATOM 0 HA ILE A 28 2.889 18.410 3.803 1.00 0.00 H new ATOM 0 HB ILE A 28 1.673 15.754 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.741 17.496 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.136 17.747 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.168 15.033 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.649 15.468 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.966 16.592 5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.379 16.323 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.678 15.416 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.062 15.161 5.171 1.00 0.00 H new ATOM 382 N ASN A 29 4.954 16.940 3.292 1.00 0.00 N ATOM 383 CA ASN A 29 6.246 16.431 2.847 1.00 0.00 C ATOM 384 C ASN A 29 6.299 14.910 2.957 1.00 0.00 C ATOM 385 O ASN A 29 5.340 14.276 3.397 1.00 0.00 O ATOM 386 CB ASN A 29 7.374 17.053 3.672 1.00 0.00 C ATOM 387 CG ASN A 29 7.431 18.562 3.530 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.421 19.208 3.251 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.616 19.130 3.722 1.00 0.00 N ATOM 0 H ASN A 29 4.898 17.130 4.293 1.00 0.00 H new ATOM 0 HA ASN A 29 6.376 16.706 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.237 16.795 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.327 16.625 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.716 20.142 3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.426 18.554 3.952 1.00 0.00 H new ATOM 396 N SER A 30 7.426 14.332 2.555 1.00 0.00 N ATOM 397 CA SER A 30 7.604 12.886 2.606 1.00 0.00 C ATOM 398 C SER A 30 8.095 12.446 3.982 1.00 0.00 C ATOM 399 O SER A 30 7.705 11.392 4.485 1.00 0.00 O ATOM 400 CB SER A 30 8.594 12.434 1.530 1.00 0.00 C ATOM 401 OG SER A 30 8.845 11.042 1.620 1.00 0.00 O ATOM 0 H SER A 30 8.230 14.843 2.190 1.00 0.00 H new ATOM 0 HA SER A 30 6.637 12.420 2.419 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.197 12.672 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.529 12.983 1.638 1.00 0.00 H new ATOM 0 HG SER A 30 9.479 10.778 0.921 1.00 0.00 H new ATOM 407 N SER A 31 8.954 13.262 4.585 1.00 0.00 N ATOM 408 CA SER A 31 9.502 12.957 5.901 1.00 0.00 C ATOM 409 C SER A 31 8.423 13.054 6.975 1.00 0.00 C ATOM 410 O SER A 31 8.485 12.370 7.997 1.00 0.00 O ATOM 411 CB SER A 31 10.653 13.909 6.231 1.00 0.00 C ATOM 412 OG SER A 31 11.023 13.810 7.595 1.00 0.00 O ATOM 0 H SER A 31 9.285 14.139 4.183 1.00 0.00 H new ATOM 0 HA SER A 31 9.880 11.935 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.512 13.678 5.601 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.358 14.934 6.005 1.00 0.00 H new ATOM 0 HG SER A 31 11.761 14.427 7.779 1.00 0.00 H new ATOM 418 N ASP A 32 7.435 13.909 6.736 1.00 0.00 N ATOM 419 CA ASP A 32 6.340 14.097 7.682 1.00 0.00 C ATOM 420 C ASP A 32 5.270 13.027 7.492 1.00 0.00 C ATOM 421 O ASP A 32 4.246 13.032 8.176 1.00 0.00 O ATOM 422 CB ASP A 32 5.726 15.487 7.514 1.00 0.00 C ATOM 423 CG ASP A 32 5.131 16.017 8.804 1.00 0.00 C ATOM 424 OD1 ASP A 32 5.017 15.234 9.770 1.00 0.00 O ATOM 425 OD2 ASP A 32 4.781 17.214 8.847 1.00 0.00 O ATOM 0 H ASP A 32 7.369 14.483 5.896 1.00 0.00 H new ATOM 0 HA ASP A 32 6.743 14.007 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.490 16.178 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.951 15.449 6.749 1.00 0.00 H new ATOM 430 N MET A 33 5.512 12.112 6.559 1.00 0.00 N ATOM 431 CA MET A 33 4.568 11.036 6.280 1.00 0.00 C ATOM 432 C MET A 33 5.094 9.703 6.803 1.00 0.00 C ATOM 433 O MET A 33 6.300 9.523 6.969 1.00 0.00 O ATOM 434 CB MET A 33 4.303 10.939 4.777 1.00 0.00 C ATOM 435 CG MET A 33 3.226 11.894 4.287 1.00 0.00 C ATOM 436 SD MET A 33 2.438 11.331 2.766 1.00 0.00 S ATOM 437 CE MET A 33 3.073 12.526 1.593 1.00 0.00 C ATOM 0 H MET A 33 6.354 12.094 5.983 1.00 0.00 H new ATOM 0 HA MET A 33 3.633 11.264 6.792 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.229 11.142 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.010 9.918 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.469 12.010 5.062 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.666 12.877 4.121 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.412 12.573 0.727 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.123 13.507 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.071 12.226 1.272 1.00 0.00 H new ATOM 447 N SER A 34 4.181 8.772 7.060 1.00 0.00 N ATOM 448 CA SER A 34 4.553 7.456 7.568 1.00 0.00 C ATOM 449 C SER A 34 3.479 6.423 7.238 1.00 0.00 C ATOM 450 O SER A 34 2.285 6.688 7.373 1.00 0.00 O ATOM 451 CB SER A 34 4.773 7.514 9.081 1.00 0.00 C ATOM 452 OG SER A 34 5.707 6.532 9.497 1.00 0.00 O ATOM 0 H SER A 34 3.179 8.904 6.925 1.00 0.00 H new ATOM 0 HA SER A 34 5.482 7.156 7.084 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.132 8.504 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.825 7.360 9.596 1.00 0.00 H new ATOM 0 HG SER A 34 5.832 6.590 10.467 1.00 0.00 H new ATOM 458 N ALA A 35 3.915 5.245 6.804 1.00 0.00 N ATOM 459 CA ALA A 35 2.993 4.171 6.456 1.00 0.00 C ATOM 460 C ALA A 35 3.382 2.868 7.147 1.00 0.00 C ATOM 461 O ALA A 35 4.564 2.539 7.253 1.00 0.00 O ATOM 462 CB ALA A 35 2.951 3.979 4.948 1.00 0.00 C ATOM 0 H ALA A 35 4.900 5.010 6.685 1.00 0.00 H new ATOM 0 HA ALA A 35 1.999 4.453 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.258 3.174 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.618 4.902 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.947 3.724 4.586 1.00 0.00 H new ATOM 468 N HIS A 36 2.380 2.130 7.616 1.00 0.00 N ATOM 469 CA HIS A 36 2.619 0.863 8.297 1.00 0.00 C ATOM 470 C HIS A 36 1.680 -0.220 7.774 1.00 0.00 C ATOM 471 O HIS A 36 0.458 -0.088 7.852 1.00 0.00 O ATOM 472 CB HIS A 36 2.435 1.028 9.806 1.00 0.00 C ATOM 473 CG HIS A 36 3.256 2.135 10.392 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.733 3.367 10.720 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.571 2.188 10.710 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.691 4.132 11.213 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.816 3.440 11.218 1.00 0.00 N ATOM 0 H HIS A 36 1.396 2.388 7.537 1.00 0.00 H new ATOM 0 HA HIS A 36 3.646 0.558 8.095 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.382 1.217 10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.696 0.092 10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.293 1.394 10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.574 5.150 11.554 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.720 3.780 11.546 1.00 0.00 H new ATOM 486 N VAL A 37 2.258 -1.291 7.240 1.00 0.00 N ATOM 487 CA VAL A 37 1.474 -2.397 6.704 1.00 0.00 C ATOM 488 C VAL A 37 1.127 -3.404 7.794 1.00 0.00 C ATOM 489 O VAL A 37 1.981 -4.169 8.243 1.00 0.00 O ATOM 490 CB VAL A 37 2.225 -3.121 5.571 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.437 -4.332 5.096 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.499 -2.167 4.418 1.00 0.00 C ATOM 0 H VAL A 37 3.268 -1.416 7.167 1.00 0.00 H new ATOM 0 HA VAL A 37 0.555 -1.968 6.304 1.00 0.00 H new ATOM 0 HB VAL A 37 3.182 -3.470 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.983 -4.831 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.298 -5.024 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.464 -4.010 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.030 -2.696 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.555 -1.786 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.108 -1.335 4.771 1.00 0.00 H new ATOM 502 N THR A 38 -0.133 -3.400 8.217 1.00 0.00 N ATOM 503 CA THR A 38 -0.594 -4.312 9.256 1.00 0.00 C ATOM 504 C THR A 38 -1.076 -5.629 8.657 1.00 0.00 C ATOM 505 O THR A 38 -1.642 -5.654 7.565 1.00 0.00 O ATOM 506 CB THR A 38 -1.734 -3.691 10.085 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.249 -2.557 10.813 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.318 -4.710 11.052 1.00 0.00 C ATOM 0 H THR A 38 -0.853 -2.775 7.855 1.00 0.00 H new ATOM 0 HA THR A 38 0.258 -4.502 9.909 1.00 0.00 H new ATOM 0 HB THR A 38 -2.520 -3.373 9.400 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.980 -2.167 11.336 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.121 -4.248 11.626 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.713 -5.558 10.492 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.539 -5.055 11.731 1.00 0.00 H new ATOM 516 N SER A 39 -0.848 -6.721 9.380 1.00 0.00 N ATOM 517 CA SER A 39 -1.256 -8.042 8.918 1.00 0.00 C ATOM 518 C SER A 39 -2.463 -8.544 9.705 1.00 0.00 C ATOM 519 O SER A 39 -2.709 -8.137 10.841 1.00 0.00 O ATOM 520 CB SER A 39 -0.098 -9.033 9.052 1.00 0.00 C ATOM 521 OG SER A 39 -0.116 -9.670 10.318 1.00 0.00 O ATOM 0 H SER A 39 -0.383 -6.717 10.288 1.00 0.00 H new ATOM 0 HA SER A 39 -1.536 -7.962 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.163 -9.782 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.849 -8.511 8.918 1.00 0.00 H new ATOM 0 HG SER A 39 -0.046 -10.640 10.197 1.00 0.00 H new ATOM 527 N PRO A 40 -3.237 -9.449 9.087 1.00 0.00 N ATOM 528 CA PRO A 40 -4.431 -10.027 9.710 1.00 0.00 C ATOM 529 C PRO A 40 -4.088 -10.962 10.864 1.00 0.00 C ATOM 530 O PRO A 40 -4.975 -11.467 11.552 1.00 0.00 O ATOM 531 CB PRO A 40 -5.086 -10.806 8.567 1.00 0.00 C ATOM 532 CG PRO A 40 -3.966 -11.131 7.640 1.00 0.00 C ATOM 533 CD PRO A 40 -3.004 -9.979 7.733 1.00 0.00 C ATOM 0 HA PRO A 40 -5.074 -9.262 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.573 -11.710 8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.852 -10.210 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.483 -12.066 7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.328 -11.256 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.972 -10.305 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.201 -9.228 6.968 1.00 0.00 H new ATOM 541 N SER A 41 -2.794 -11.190 11.071 1.00 0.00 N ATOM 542 CA SER A 41 -2.334 -12.068 12.141 1.00 0.00 C ATOM 543 C SER A 41 -1.923 -11.260 13.368 1.00 0.00 C ATOM 544 O SER A 41 -1.901 -11.775 14.485 1.00 0.00 O ATOM 545 CB SER A 41 -1.158 -12.920 11.659 1.00 0.00 C ATOM 546 OG SER A 41 0.021 -12.143 11.545 1.00 0.00 O ATOM 0 H SER A 41 -2.046 -10.779 10.512 1.00 0.00 H new ATOM 0 HA SER A 41 -3.159 -12.724 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.990 -13.741 12.356 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.399 -13.365 10.694 1.00 0.00 H new ATOM 0 HG SER A 41 0.758 -12.710 11.237 1.00 0.00 H new ATOM 552 N GLY A 42 -1.598 -9.989 13.150 1.00 0.00 N ATOM 553 CA GLY A 42 -1.191 -9.130 14.247 1.00 0.00 C ATOM 554 C GLY A 42 0.231 -8.628 14.093 1.00 0.00 C ATOM 555 O GLY A 42 0.842 -8.168 15.058 1.00 0.00 O ATOM 0 H GLY A 42 -1.609 -9.539 12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.869 -8.279 14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.280 -9.677 15.185 1.00 0.00 H new ATOM 559 N ARG A 43 0.760 -8.716 12.877 1.00 0.00 N ATOM 560 CA ARG A 43 2.120 -8.270 12.602 1.00 0.00 C ATOM 561 C ARG A 43 2.119 -7.077 11.650 1.00 0.00 C ATOM 562 O ARG A 43 1.649 -7.175 10.516 1.00 0.00 O ATOM 563 CB ARG A 43 2.944 -9.412 12.004 1.00 0.00 C ATOM 564 CG ARG A 43 4.435 -9.125 11.950 1.00 0.00 C ATOM 565 CD ARG A 43 5.168 -10.142 11.089 1.00 0.00 C ATOM 566 NE ARG A 43 5.355 -11.414 11.784 1.00 0.00 N ATOM 567 CZ ARG A 43 6.073 -12.419 11.295 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.668 -12.301 10.117 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.197 -13.545 11.987 1.00 0.00 N ATOM 0 H ARG A 43 0.267 -9.092 12.067 1.00 0.00 H new ATOM 0 HA ARG A 43 2.571 -7.961 13.545 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.778 -10.315 12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.586 -9.618 10.995 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.600 -8.124 11.552 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.846 -9.138 12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.607 -10.310 10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.139 -9.740 10.801 1.00 0.00 H new ATOM 0 HE ARG A 43 4.910 -11.537 12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.575 -11.437 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.219 -13.074 9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.741 -13.639 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.748 -14.316 11.611 1.00 0.00 H new ATOM 583 N VAL A 44 2.647 -5.952 12.119 1.00 0.00 N ATOM 584 CA VAL A 44 2.708 -4.740 11.309 1.00 0.00 C ATOM 585 C VAL A 44 4.151 -4.320 11.056 1.00 0.00 C ATOM 586 O VAL A 44 5.027 -4.525 11.897 1.00 0.00 O ATOM 587 CB VAL A 44 1.956 -3.577 11.984 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.330 -3.481 13.455 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.247 -2.268 11.265 1.00 0.00 C ATOM 0 H VAL A 44 3.039 -5.854 13.056 1.00 0.00 H new ATOM 0 HA VAL A 44 2.228 -4.970 10.357 1.00 0.00 H new ATOM 0 HB VAL A 44 0.886 -3.772 11.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.789 -2.654 13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.067 -4.411 13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.402 -3.309 13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.708 -1.457 11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.317 -2.065 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.924 -2.344 10.227 1.00 0.00 H new ATOM 599 N THR A 45 4.394 -3.729 9.890 1.00 0.00 N ATOM 600 CA THR A 45 5.731 -3.279 9.525 1.00 0.00 C ATOM 601 C THR A 45 5.699 -1.867 8.951 1.00 0.00 C ATOM 602 O THR A 45 4.632 -1.336 8.648 1.00 0.00 O ATOM 603 CB THR A 45 6.380 -4.225 8.496 1.00 0.00 C ATOM 604 OG1 THR A 45 5.403 -4.655 7.542 1.00 0.00 O ATOM 605 CG2 THR A 45 6.991 -5.436 9.184 1.00 0.00 C ATOM 0 H THR A 45 3.681 -3.551 9.182 1.00 0.00 H new ATOM 0 HA THR A 45 6.326 -3.283 10.438 1.00 0.00 H new ATOM 0 HB THR A 45 7.173 -3.680 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.824 -5.254 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.443 -6.089 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.755 -5.107 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.214 -5.981 9.720 1.00 0.00 H new ATOM 613 N GLU A 46 6.876 -1.266 8.805 1.00 0.00 N ATOM 614 CA GLU A 46 6.981 0.085 8.267 1.00 0.00 C ATOM 615 C GLU A 46 7.285 0.054 6.772 1.00 0.00 C ATOM 616 O GLU A 46 8.190 -0.651 6.327 1.00 0.00 O ATOM 617 CB GLU A 46 8.069 0.868 9.004 1.00 0.00 C ATOM 618 CG GLU A 46 8.369 2.223 8.386 1.00 0.00 C ATOM 619 CD GLU A 46 9.664 2.824 8.896 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.761 3.077 10.115 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.581 3.041 8.077 1.00 0.00 O ATOM 0 H GLU A 46 7.769 -1.693 9.052 1.00 0.00 H new ATOM 0 HA GLU A 46 6.022 0.582 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.763 1.011 10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.984 0.275 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.423 2.120 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.547 2.906 8.601 1.00 0.00 H new ATOM 628 N ALA A 47 6.521 0.822 6.003 1.00 0.00 N ATOM 629 CA ALA A 47 6.709 0.884 4.559 1.00 0.00 C ATOM 630 C ALA A 47 7.649 2.022 4.176 1.00 0.00 C ATOM 631 O ALA A 47 7.838 2.967 4.941 1.00 0.00 O ATOM 632 CB ALA A 47 5.368 1.046 3.858 1.00 0.00 C ATOM 0 H ALA A 47 5.766 1.410 6.356 1.00 0.00 H new ATOM 0 HA ALA A 47 7.164 -0.052 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.524 1.091 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.728 0.197 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.891 1.966 4.194 1.00 0.00 H new ATOM 638 N GLU A 48 8.237 1.923 2.987 1.00 0.00 N ATOM 639 CA GLU A 48 9.159 2.945 2.505 1.00 0.00 C ATOM 640 C GLU A 48 8.481 3.850 1.480 1.00 0.00 C ATOM 641 O GLU A 48 7.821 3.373 0.556 1.00 0.00 O ATOM 642 CB GLU A 48 10.398 2.294 1.885 1.00 0.00 C ATOM 643 CG GLU A 48 11.237 3.250 1.055 1.00 0.00 C ATOM 644 CD GLU A 48 12.520 2.616 0.555 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.143 1.852 1.321 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.902 2.885 -0.603 1.00 0.00 O ATOM 0 H GLU A 48 8.091 1.147 2.341 1.00 0.00 H new ATOM 0 HA GLU A 48 9.464 3.553 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.016 1.878 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.084 1.460 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.651 3.596 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.479 4.128 1.653 1.00 0.00 H new ATOM 653 N ILE A 49 8.647 5.157 1.652 1.00 0.00 N ATOM 654 CA ILE A 49 8.052 6.128 0.743 1.00 0.00 C ATOM 655 C ILE A 49 9.065 6.606 -0.291 1.00 0.00 C ATOM 656 O ILE A 49 9.806 7.561 -0.056 1.00 0.00 O ATOM 657 CB ILE A 49 7.500 7.348 1.505 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.258 6.955 2.308 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.176 8.475 0.537 1.00 0.00 C ATOM 660 CD1 ILE A 49 5.806 8.020 3.282 1.00 0.00 C ATOM 0 H ILE A 49 9.189 5.568 2.413 1.00 0.00 H new ATOM 0 HA ILE A 49 7.230 5.623 0.236 1.00 0.00 H new ATOM 0 HB ILE A 49 8.263 7.700 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.443 6.736 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.466 6.037 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.787 9.330 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.081 8.769 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.428 8.136 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.921 7.673 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.604 8.223 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.566 8.933 2.737 1.00 0.00 H new ATOM 672 N VAL A 50 9.092 5.936 -1.439 1.00 0.00 N ATOM 673 CA VAL A 50 10.013 6.293 -2.512 1.00 0.00 C ATOM 674 C VAL A 50 9.609 7.609 -3.166 1.00 0.00 C ATOM 675 O VAL A 50 8.460 7.808 -3.561 1.00 0.00 O ATOM 676 CB VAL A 50 10.073 5.194 -3.589 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.037 5.585 -4.698 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.471 3.863 -2.970 1.00 0.00 C ATOM 0 H VAL A 50 8.486 5.143 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 50 10.999 6.402 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 50 9.081 5.083 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.066 4.796 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.703 6.514 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.034 5.725 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.508 3.098 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.452 3.957 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.738 3.579 -2.215 1.00 0.00 H new ATOM 688 N PRO A 51 10.576 8.532 -3.285 1.00 0.00 N ATOM 689 CA PRO A 51 10.346 9.846 -3.893 1.00 0.00 C ATOM 690 C PRO A 51 10.111 9.756 -5.397 1.00 0.00 C ATOM 691 O PRO A 51 11.049 9.851 -6.187 1.00 0.00 O ATOM 692 CB PRO A 51 11.642 10.605 -3.598 1.00 0.00 C ATOM 693 CG PRO A 51 12.676 9.543 -3.442 1.00 0.00 C ATOM 694 CD PRO A 51 11.968 8.362 -2.836 1.00 0.00 C ATOM 0 HA PRO A 51 9.453 10.329 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.895 11.287 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.552 11.206 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.116 9.282 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.490 9.882 -2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.390 7.419 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.043 8.363 -1.749 1.00 0.00 H new ATOM 702 N MET A 52 8.853 9.573 -5.785 1.00 0.00 N ATOM 703 CA MET A 52 8.496 9.472 -7.195 1.00 0.00 C ATOM 704 C MET A 52 8.661 10.817 -7.895 1.00 0.00 C ATOM 705 O MET A 52 9.222 10.895 -8.987 1.00 0.00 O ATOM 706 CB MET A 52 7.055 8.979 -7.344 1.00 0.00 C ATOM 707 CG MET A 52 6.935 7.466 -7.419 1.00 0.00 C ATOM 708 SD MET A 52 7.561 6.796 -8.972 1.00 0.00 S ATOM 709 CE MET A 52 9.149 6.153 -8.447 1.00 0.00 C ATOM 0 H MET A 52 8.064 9.492 -5.143 1.00 0.00 H new ATOM 0 HA MET A 52 9.168 8.754 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.467 9.340 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.622 9.415 -8.244 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.483 7.020 -6.589 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.889 7.182 -7.300 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.930 6.526 -9.110 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.354 6.478 -7.427 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.131 5.064 -8.484 1.00 0.00 H new ATOM 719 N GLY A 53 8.167 11.875 -7.259 1.00 0.00 N ATOM 720 CA GLY A 53 8.269 13.203 -7.836 1.00 0.00 C ATOM 721 C GLY A 53 8.141 14.299 -6.797 1.00 0.00 C ATOM 722 O GLY A 53 8.054 14.023 -5.600 1.00 0.00 O ATOM 0 H GLY A 53 7.698 11.836 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.227 13.301 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.492 13.329 -8.590 1.00 0.00 H new ATOM 726 N LYS A 54 8.130 15.546 -7.253 1.00 0.00 N ATOM 727 CA LYS A 54 8.012 16.689 -6.355 1.00 0.00 C ATOM 728 C LYS A 54 6.988 16.416 -5.258 1.00 0.00 C ATOM 729 O LYS A 54 7.343 16.245 -4.093 1.00 0.00 O ATOM 730 CB LYS A 54 7.614 17.941 -7.139 1.00 0.00 C ATOM 731 CG LYS A 54 8.750 18.537 -7.952 1.00 0.00 C ATOM 732 CD LYS A 54 8.586 20.038 -8.124 1.00 0.00 C ATOM 733 CE LYS A 54 7.711 20.369 -9.324 1.00 0.00 C ATOM 734 NZ LYS A 54 8.448 20.209 -10.608 1.00 0.00 N ATOM 0 H LYS A 54 8.201 15.792 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 54 8.983 16.854 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.790 17.693 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.244 18.693 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.700 18.328 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.787 18.060 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.145 20.463 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.565 20.500 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.835 19.720 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.349 21.394 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.873 20.587 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.348 20.728 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.639 19.200 -10.776 1.00 0.00 H new ATOM 748 N ASN A 55 5.716 16.374 -5.640 1.00 0.00 N ATOM 749 CA ASN A 55 4.640 16.121 -4.689 1.00 0.00 C ATOM 750 C ASN A 55 4.055 14.726 -4.888 1.00 0.00 C ATOM 751 O ASN A 55 2.862 14.506 -4.682 1.00 0.00 O ATOM 752 CB ASN A 55 3.539 17.173 -4.839 1.00 0.00 C ATOM 753 CG ASN A 55 3.287 17.543 -6.288 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.946 16.690 -7.107 1.00 0.00 O ATOM 755 ND2 ASN A 55 3.453 18.820 -6.610 1.00 0.00 N ATOM 0 H ASN A 55 5.405 16.512 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 55 5.057 16.182 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.617 16.795 -4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.816 18.067 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.297 19.128 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.737 19.493 -5.898 1.00 0.00 H new ATOM 762 N SER A 56 4.905 13.786 -5.289 1.00 0.00 N ATOM 763 CA SER A 56 4.473 12.412 -5.519 1.00 0.00 C ATOM 764 C SER A 56 5.222 11.447 -4.606 1.00 0.00 C ATOM 765 O SER A 56 6.441 11.537 -4.454 1.00 0.00 O ATOM 766 CB SER A 56 4.694 12.024 -6.982 1.00 0.00 C ATOM 767 OG SER A 56 4.197 13.023 -7.856 1.00 0.00 O ATOM 0 H SER A 56 5.897 13.951 -5.461 1.00 0.00 H new ATOM 0 HA SER A 56 3.409 12.349 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.758 11.873 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.198 11.076 -7.189 1.00 0.00 H new ATOM 0 HG SER A 56 4.352 12.752 -8.785 1.00 0.00 H new ATOM 773 N HIS A 57 4.484 10.522 -3.999 1.00 0.00 N ATOM 774 CA HIS A 57 5.078 9.538 -3.101 1.00 0.00 C ATOM 775 C HIS A 57 4.575 8.135 -3.424 1.00 0.00 C ATOM 776 O HIS A 57 3.396 7.941 -3.722 1.00 0.00 O ATOM 777 CB HIS A 57 4.757 9.886 -1.647 1.00 0.00 C ATOM 778 CG HIS A 57 4.729 11.358 -1.375 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.869 12.122 -1.246 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.688 12.208 -1.209 1.00 0.00 C ATOM 781 CE1 HIS A 57 5.532 13.377 -1.011 1.00 0.00 C ATOM 782 NE2 HIS A 57 4.214 13.456 -0.984 1.00 0.00 N ATOM 0 H HIS A 57 3.474 10.434 -4.113 1.00 0.00 H new ATOM 0 HA HIS A 57 6.159 9.558 -3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.789 9.458 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.498 9.419 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.639 11.952 -1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.217 14.199 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.674 14.306 -0.822 1.00 0.00 H new ATOM 791 N CYS A 58 5.476 7.160 -3.363 1.00 0.00 N ATOM 792 CA CYS A 58 5.124 5.774 -3.651 1.00 0.00 C ATOM 793 C CYS A 58 5.535 4.859 -2.502 1.00 0.00 C ATOM 794 O CYS A 58 6.720 4.720 -2.198 1.00 0.00 O ATOM 795 CB CYS A 58 5.791 5.316 -4.948 1.00 0.00 C ATOM 796 SG CYS A 58 4.871 4.040 -5.840 1.00 0.00 S ATOM 0 H CYS A 58 6.455 7.304 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 58 4.042 5.716 -3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.921 6.179 -5.601 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.787 4.937 -4.718 1.00 0.00 H new ATOM 0 HG CYS A 58 3.628 4.055 -5.459 1.00 0.00 H new ATOM 802 N VAL A 59 4.547 4.238 -1.864 1.00 0.00 N ATOM 803 CA VAL A 59 4.806 3.337 -0.748 1.00 0.00 C ATOM 804 C VAL A 59 5.109 1.926 -1.239 1.00 0.00 C ATOM 805 O VAL A 59 4.251 1.265 -1.825 1.00 0.00 O ATOM 806 CB VAL A 59 3.609 3.286 0.221 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.869 2.286 1.337 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.324 4.668 0.788 1.00 0.00 C ATOM 0 H VAL A 59 3.561 4.343 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 59 5.675 3.729 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 59 2.729 2.957 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.013 2.263 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.020 1.295 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.760 2.582 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.476 4.614 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.200 5.028 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.091 5.354 -0.026 1.00 0.00 H new ATOM 818 N ARG A 60 6.333 1.471 -0.997 1.00 0.00 N ATOM 819 CA ARG A 60 6.750 0.138 -1.416 1.00 0.00 C ATOM 820 C ARG A 60 6.762 -0.825 -0.232 1.00 0.00 C ATOM 821 O ARG A 60 7.452 -0.596 0.761 1.00 0.00 O ATOM 822 CB ARG A 60 8.138 0.192 -2.057 1.00 0.00 C ATOM 823 CG ARG A 60 8.858 -1.147 -2.064 1.00 0.00 C ATOM 824 CD ARG A 60 9.972 -1.174 -3.099 1.00 0.00 C ATOM 825 NE ARG A 60 11.153 -0.441 -2.651 1.00 0.00 N ATOM 826 CZ ARG A 60 12.281 -0.367 -3.349 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.380 -0.978 -4.521 1.00 0.00 N ATOM 828 NH2 ARG A 60 13.313 0.320 -2.874 1.00 0.00 N ATOM 0 H ARG A 60 7.054 2.006 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 60 6.032 -0.225 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.042 0.549 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.748 0.920 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.273 -1.343 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.145 -1.944 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.246 -2.208 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.610 -0.743 -4.032 1.00 0.00 H new ATOM 0 HE ARG A 60 11.109 0.041 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.589 -1.507 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.247 -0.920 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.240 0.792 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.179 0.376 -3.411 1.00 0.00 H new ATOM 842 N PHE A 61 5.993 -1.903 -0.345 1.00 0.00 N ATOM 843 CA PHE A 61 5.913 -2.900 0.716 1.00 0.00 C ATOM 844 C PHE A 61 5.528 -4.265 0.152 1.00 0.00 C ATOM 845 O PHE A 61 4.872 -4.357 -0.885 1.00 0.00 O ATOM 846 CB PHE A 61 4.897 -2.468 1.776 1.00 0.00 C ATOM 847 CG PHE A 61 3.474 -2.517 1.297 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.841 -3.731 1.089 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.771 -1.348 1.055 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.531 -3.779 0.649 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.461 -1.390 0.615 1.00 0.00 C ATOM 852 CZ PHE A 61 0.841 -2.607 0.411 1.00 0.00 C ATOM 0 H PHE A 61 5.416 -2.108 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 61 6.897 -2.982 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.000 -3.111 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.129 -1.453 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.377 -4.651 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.251 -0.394 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.048 -4.732 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.923 -0.472 0.431 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.182 -2.642 0.066 1.00 0.00 H new ATOM 862 N VAL A 62 5.941 -5.322 0.844 1.00 0.00 N ATOM 863 CA VAL A 62 5.640 -6.682 0.414 1.00 0.00 C ATOM 864 C VAL A 62 4.545 -7.301 1.275 1.00 0.00 C ATOM 865 O VAL A 62 4.742 -7.599 2.453 1.00 0.00 O ATOM 866 CB VAL A 62 6.891 -7.579 0.470 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.594 -8.948 -0.123 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.053 -6.916 -0.254 1.00 0.00 C ATOM 0 H VAL A 62 6.485 -5.262 1.705 1.00 0.00 H new ATOM 0 HA VAL A 62 5.294 -6.618 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 62 7.173 -7.716 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.490 -9.568 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.793 -9.424 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.287 -8.835 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.929 -7.563 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.784 -6.748 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.280 -5.961 0.220 1.00 0.00 H new ATOM 878 N PRO A 63 3.362 -7.500 0.676 1.00 0.00 N ATOM 879 CA PRO A 63 2.212 -8.087 1.370 1.00 0.00 C ATOM 880 C PRO A 63 2.414 -9.566 1.680 1.00 0.00 C ATOM 881 O PRO A 63 3.508 -10.102 1.504 1.00 0.00 O ATOM 882 CB PRO A 63 1.064 -7.902 0.374 1.00 0.00 C ATOM 883 CG PRO A 63 1.726 -7.832 -0.958 1.00 0.00 C ATOM 884 CD PRO A 63 3.056 -7.169 -0.726 1.00 0.00 C ATOM 0 HA PRO A 63 2.036 -7.616 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.360 -8.733 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.500 -6.993 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.855 -8.828 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.123 -7.261 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.819 -7.550 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.001 -6.092 -0.882 1.00 0.00 H new ATOM 892 N GLN A 64 1.353 -10.220 2.141 1.00 0.00 N ATOM 893 CA GLN A 64 1.416 -11.638 2.476 1.00 0.00 C ATOM 894 C GLN A 64 0.444 -12.443 1.620 1.00 0.00 C ATOM 895 O GLN A 64 -0.397 -11.878 0.921 1.00 0.00 O ATOM 896 CB GLN A 64 1.105 -11.849 3.958 1.00 0.00 C ATOM 897 CG GLN A 64 2.201 -11.352 4.887 1.00 0.00 C ATOM 898 CD GLN A 64 3.489 -12.137 4.741 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.752 -13.069 5.502 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.302 -11.763 3.759 1.00 0.00 N ATOM 0 H GLN A 64 0.440 -9.791 2.291 1.00 0.00 H new ATOM 0 HA GLN A 64 2.428 -11.989 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.174 -11.337 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.941 -12.911 4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.396 -10.299 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.855 -11.417 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.044 -10.985 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.184 -12.254 3.612 1.00 0.00 H new ATOM 909 N GLU A 65 0.565 -13.766 1.680 1.00 0.00 N ATOM 910 CA GLU A 65 -0.303 -14.647 0.908 1.00 0.00 C ATOM 911 C GLU A 65 -1.641 -14.848 1.616 1.00 0.00 C ATOM 912 O GLU A 65 -1.686 -15.119 2.815 1.00 0.00 O ATOM 913 CB GLU A 65 0.376 -16.000 0.684 1.00 0.00 C ATOM 914 CG GLU A 65 0.472 -16.849 1.941 1.00 0.00 C ATOM 915 CD GLU A 65 1.145 -18.184 1.692 1.00 0.00 C ATOM 916 OE1 GLU A 65 0.492 -19.082 1.121 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.326 -18.332 2.070 1.00 0.00 O ATOM 0 H GLU A 65 1.255 -14.250 2.255 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.489 -14.178 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.176 -16.553 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.379 -15.833 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.028 -16.302 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.529 -17.019 2.338 1.00 0.00 H new ATOM 924 N MET A 66 -2.728 -14.713 0.863 1.00 0.00 N ATOM 925 CA MET A 66 -4.066 -14.880 1.417 1.00 0.00 C ATOM 926 C MET A 66 -4.210 -14.116 2.729 1.00 0.00 C ATOM 927 O MET A 66 -4.630 -14.676 3.741 1.00 0.00 O ATOM 928 CB MET A 66 -4.367 -16.363 1.641 1.00 0.00 C ATOM 929 CG MET A 66 -3.706 -17.278 0.622 1.00 0.00 C ATOM 930 SD MET A 66 -4.361 -17.051 -1.043 1.00 0.00 S ATOM 931 CE MET A 66 -2.975 -16.249 -1.845 1.00 0.00 C ATOM 0 H MET A 66 -2.708 -14.489 -0.132 1.00 0.00 H new ATOM 0 HA MET A 66 -4.782 -14.476 0.701 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.035 -16.646 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.446 -16.515 1.608 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.632 -17.091 0.614 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.847 -18.315 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.220 -15.204 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.099 -16.304 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.761 -16.750 -2.789 1.00 0.00 H new ATOM 941 N GLY A 67 -3.860 -12.834 2.705 1.00 0.00 N ATOM 942 CA GLY A 67 -3.957 -12.015 3.899 1.00 0.00 C ATOM 943 C GLY A 67 -4.311 -10.575 3.587 1.00 0.00 C ATOM 944 O GLY A 67 -3.753 -9.976 2.667 1.00 0.00 O ATOM 0 H GLY A 67 -3.511 -12.348 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.711 -12.435 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.008 -12.045 4.434 1.00 0.00 H new ATOM 948 N VAL A 68 -5.243 -10.017 4.353 1.00 0.00 N ATOM 949 CA VAL A 68 -5.672 -8.637 4.153 1.00 0.00 C ATOM 950 C VAL A 68 -4.913 -7.688 5.073 1.00 0.00 C ATOM 951 O VAL A 68 -5.007 -7.784 6.297 1.00 0.00 O ATOM 952 CB VAL A 68 -7.184 -8.478 4.403 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.609 -7.032 4.198 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.974 -9.408 3.495 1.00 0.00 C ATOM 0 H VAL A 68 -5.716 -10.499 5.118 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.454 -8.384 3.115 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.395 -8.751 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.680 -6.938 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.066 -6.391 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.386 -6.729 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.040 -9.283 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.760 -9.168 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.689 -10.441 3.695 1.00 0.00 H new ATOM 964 N HIS A 69 -4.161 -6.769 4.475 1.00 0.00 N ATOM 965 CA HIS A 69 -3.386 -5.799 5.241 1.00 0.00 C ATOM 966 C HIS A 69 -4.029 -4.417 5.177 1.00 0.00 C ATOM 967 O HIS A 69 -4.937 -4.179 4.379 1.00 0.00 O ATOM 968 CB HIS A 69 -1.952 -5.732 4.716 1.00 0.00 C ATOM 969 CG HIS A 69 -1.326 -7.077 4.509 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.881 -8.050 3.706 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.184 -7.607 5.006 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.109 -9.122 3.719 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.072 -8.879 4.500 1.00 0.00 N ATOM 0 H HIS A 69 -4.072 -6.676 3.463 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.369 -6.124 6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.945 -5.188 3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.343 -5.161 5.417 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.752 -7.957 3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.510 -7.120 5.676 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.294 -10.041 3.182 1.00 0.00 H new ATOM 982 N THR A 70 -3.554 -3.508 6.023 1.00 0.00 N ATOM 983 CA THR A 70 -4.084 -2.151 6.064 1.00 0.00 C ATOM 984 C THR A 70 -2.960 -1.125 6.154 1.00 0.00 C ATOM 985 O THR A 70 -2.073 -1.234 7.000 1.00 0.00 O ATOM 986 CB THR A 70 -5.038 -1.957 7.258 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.851 -3.123 7.431 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.927 -0.740 7.047 1.00 0.00 C ATOM 0 H THR A 70 -2.803 -3.687 6.689 1.00 0.00 H new ATOM 0 HA THR A 70 -4.638 -1.999 5.138 1.00 0.00 H new ATOM 0 HB THR A 70 -4.437 -1.798 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.453 -2.992 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.592 -0.623 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.307 0.150 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.520 -0.875 6.142 1.00 0.00 H new ATOM 996 N VAL A 71 -3.004 -0.127 5.277 1.00 0.00 N ATOM 997 CA VAL A 71 -1.991 0.920 5.259 1.00 0.00 C ATOM 998 C VAL A 71 -2.438 2.132 6.069 1.00 0.00 C ATOM 999 O VAL A 71 -3.395 2.815 5.707 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.672 1.368 3.820 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.533 2.377 3.815 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.334 0.166 2.951 1.00 0.00 C ATOM 0 H VAL A 71 -3.731 -0.022 4.569 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.092 0.498 5.708 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.556 1.852 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.322 2.682 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.818 3.250 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.358 1.923 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.111 0.501 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.465 -0.348 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.183 -0.517 2.929 1.00 0.00 H new ATOM 1012 N SER A 72 -1.737 2.393 7.169 1.00 0.00 N ATOM 1013 CA SER A 72 -2.064 3.521 8.033 1.00 0.00 C ATOM 1014 C SER A 72 -1.156 4.711 7.739 1.00 0.00 C ATOM 1015 O SER A 72 -0.051 4.811 8.272 1.00 0.00 O ATOM 1016 CB SER A 72 -1.935 3.118 9.503 1.00 0.00 C ATOM 1017 OG SER A 72 -2.800 2.039 9.814 1.00 0.00 O ATOM 0 H SER A 72 -0.940 1.839 7.482 1.00 0.00 H new ATOM 0 HA SER A 72 -3.095 3.814 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.904 2.835 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.170 3.971 10.139 1.00 0.00 H new ATOM 0 HG SER A 72 -2.697 1.799 10.759 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.631 5.613 6.885 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.865 6.798 6.519 1.00 0.00 C ATOM 1025 C VAL A 73 -1.280 8.001 7.358 1.00 0.00 C ATOM 1026 O VAL A 73 -2.331 8.601 7.127 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.039 7.141 5.028 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.119 8.286 4.632 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.777 5.914 4.166 1.00 0.00 C ATOM 0 H VAL A 73 -2.543 5.545 6.434 1.00 0.00 H new ATOM 0 HA VAL A 73 0.183 6.569 6.711 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.068 7.460 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.256 8.514 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.358 9.167 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.917 7.998 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.904 6.174 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.242 5.563 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.480 5.125 4.432 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.449 8.352 8.333 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.727 9.485 9.207 1.00 0.00 C ATOM 1041 C LYS A 74 0.228 10.640 8.921 1.00 0.00 C ATOM 1042 O LYS A 74 1.369 10.427 8.511 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.613 9.065 10.674 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.877 8.430 11.225 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.025 8.685 12.716 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.435 8.379 13.197 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.595 6.946 13.569 1.00 0.00 N ATOM 0 H LYS A 74 0.424 7.867 8.538 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.745 9.822 9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.212 8.361 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.364 9.939 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.745 8.828 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.857 7.356 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.311 8.070 13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.783 9.725 12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.669 9.006 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.149 8.633 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.430 6.554 13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.749 6.416 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.718 6.866 14.599 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.245 11.861 9.141 1.00 0.00 N ATOM 1062 CA TYR A 75 0.567 13.049 8.907 1.00 0.00 C ATOM 1063 C TYR A 75 0.554 13.968 10.125 1.00 0.00 C ATOM 1064 O TYR A 75 -0.445 14.630 10.406 1.00 0.00 O ATOM 1065 CB TYR A 75 0.059 13.806 7.678 1.00 0.00 C ATOM 1066 CG TYR A 75 0.350 15.289 7.717 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.648 15.766 7.582 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.673 16.214 7.890 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.919 17.120 7.618 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.411 17.569 7.925 1.00 0.00 C ATOM 1071 CZ TYR A 75 0.886 18.018 7.789 1.00 0.00 C ATOM 1072 OH TYR A 75 1.151 19.368 7.825 1.00 0.00 O ATOM 0 H TYR A 75 -1.187 12.054 9.481 1.00 0.00 H new ATOM 0 HA TYR A 75 1.593 12.727 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.514 13.378 6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.017 13.658 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.459 15.066 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.690 15.867 7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.934 17.474 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.218 18.274 8.058 1.00 0.00 H new ATOM 0 HH TYR A 75 0.314 19.862 7.951 1.00 0.00 H new ATOM 1082 N ARG A 76 1.671 14.002 10.844 1.00 0.00 N ATOM 1083 CA ARG A 76 1.789 14.838 12.033 1.00 0.00 C ATOM 1084 C ARG A 76 0.752 14.443 13.080 1.00 0.00 C ATOM 1085 O ARG A 76 0.304 15.275 13.869 1.00 0.00 O ATOM 1086 CB ARG A 76 1.621 16.313 11.663 1.00 0.00 C ATOM 1087 CG ARG A 76 2.926 17.002 11.298 1.00 0.00 C ATOM 1088 CD ARG A 76 2.872 18.492 11.596 1.00 0.00 C ATOM 1089 NE ARG A 76 2.697 18.758 13.021 1.00 0.00 N ATOM 1090 CZ ARG A 76 3.009 19.914 13.596 1.00 0.00 C ATOM 1091 NH1 ARG A 76 3.509 20.906 12.872 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.820 20.081 14.899 1.00 0.00 N ATOM 0 H ARG A 76 2.507 13.461 10.624 1.00 0.00 H new ATOM 0 HA ARG A 76 2.782 14.688 12.456 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.931 16.392 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.164 16.839 12.501 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.746 16.548 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.136 16.849 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.791 18.965 11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.051 18.944 11.039 1.00 0.00 H new ATOM 0 HE ARG A 76 2.314 18.016 13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.655 20.783 11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.747 21.792 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.435 19.321 15.460 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.060 20.969 15.339 1.00 0.00 H new ATOM 1106 N GLY A 77 0.374 13.168 13.081 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.608 12.686 14.035 1.00 0.00 C ATOM 1108 C GLY A 77 -2.031 12.967 13.594 1.00 0.00 C ATOM 1109 O GLY A 77 -2.890 13.284 14.416 1.00 0.00 O ATOM 0 H GLY A 77 0.730 12.461 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.479 11.613 14.174 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.431 13.156 15.003 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.279 12.852 12.293 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.608 13.099 11.746 1.00 0.00 C ATOM 1115 C GLN A 78 -3.821 12.308 10.459 1.00 0.00 C ATOM 1116 O GLN A 78 -3.197 12.588 9.435 1.00 0.00 O ATOM 1117 CB GLN A 78 -3.804 14.592 11.479 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.815 15.439 12.741 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.199 16.881 12.473 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.722 17.208 11.407 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -3.940 17.753 13.441 1.00 0.00 N ATOM 0 H GLN A 78 -1.579 12.590 11.599 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.343 12.770 12.480 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.008 14.943 10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.744 14.737 10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.514 15.008 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.828 15.410 13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.505 17.438 14.308 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.176 18.738 13.317 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.707 11.319 10.518 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.004 10.487 9.357 1.00 0.00 C ATOM 1132 C HIS A 79 -5.356 11.348 8.148 1.00 0.00 C ATOM 1133 O HIS A 79 -6.060 12.351 8.271 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.154 9.530 9.669 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.714 8.261 10.332 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.739 7.438 9.810 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -6.122 7.676 11.482 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.567 6.401 10.609 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.394 6.521 11.632 1.00 0.00 N ATOM 0 H HIS A 79 -5.232 11.074 11.357 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.113 9.906 9.120 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.873 10.037 10.313 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.674 9.285 8.743 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.230 7.604 8.942 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.879 8.048 12.156 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.869 5.592 10.453 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.862 10.950 6.980 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.125 11.685 5.748 1.00 0.00 C ATOM 1150 C VAL A 80 -6.485 11.316 5.168 1.00 0.00 C ATOM 1151 O VAL A 80 -7.220 10.511 5.741 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.038 11.416 4.691 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.656 11.693 5.263 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.135 9.987 4.179 1.00 0.00 C ATOM 0 H VAL A 80 -4.277 10.123 6.861 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.118 12.745 6.004 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.199 12.091 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.901 11.497 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.594 12.735 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.481 11.045 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.359 9.814 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.001 9.293 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.114 9.828 3.728 1.00 0.00 H new ATOM 1164 N THR A 81 -6.816 11.909 4.025 1.00 0.00 N ATOM 1165 CA THR A 81 -8.089 11.644 3.366 1.00 0.00 C ATOM 1166 C THR A 81 -8.148 10.214 2.841 1.00 0.00 C ATOM 1167 O THR A 81 -7.426 9.853 1.913 1.00 0.00 O ATOM 1168 CB THR A 81 -8.331 12.619 2.198 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.324 13.968 2.677 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.658 12.325 1.515 1.00 0.00 C ATOM 0 H THR A 81 -6.219 12.577 3.536 1.00 0.00 H new ATOM 0 HA THR A 81 -8.869 11.786 4.114 1.00 0.00 H new ATOM 0 HB THR A 81 -7.529 12.488 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.477 14.582 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.808 13.026 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.649 11.307 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.469 12.432 2.235 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.015 9.404 3.440 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.153 8.022 3.018 1.00 0.00 C ATOM 1180 C GLY A 82 -8.507 7.052 3.987 1.00 0.00 C ATOM 1181 O GLY A 82 -9.114 6.054 4.374 1.00 0.00 O ATOM 0 H GLY A 82 -9.624 9.680 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.211 7.780 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.703 7.900 2.033 1.00 0.00 H new ATOM 1185 N SER A 83 -7.272 7.345 4.380 1.00 0.00 N ATOM 1186 CA SER A 83 -6.541 6.488 5.307 1.00 0.00 C ATOM 1187 C SER A 83 -7.350 6.246 6.577 1.00 0.00 C ATOM 1188 O SER A 83 -8.096 7.109 7.042 1.00 0.00 O ATOM 1189 CB SER A 83 -5.192 7.118 5.660 1.00 0.00 C ATOM 1190 OG SER A 83 -4.612 6.482 6.787 1.00 0.00 O ATOM 0 H SER A 83 -6.756 8.169 4.071 1.00 0.00 H new ATOM 0 HA SER A 83 -6.370 5.529 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.517 7.041 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.326 8.180 5.866 1.00 0.00 H new ATOM 0 HG SER A 83 -3.833 6.995 7.087 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.201 5.044 7.152 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.317 4.009 6.607 1.00 0.00 C ATOM 1198 C PRO A 84 -6.843 3.428 5.299 1.00 0.00 C ATOM 1199 O PRO A 84 -7.996 3.650 4.928 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.306 2.940 7.702 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.593 3.127 8.428 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.885 4.601 8.379 1.00 0.00 C ATOM 0 HA PRO A 84 -5.329 4.401 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.233 1.939 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.453 3.066 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.393 2.555 7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.514 2.779 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.956 4.797 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.503 5.116 9.260 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.992 2.681 4.604 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.371 2.067 3.337 1.00 0.00 C ATOM 1212 C PHE A 85 -6.266 0.547 3.416 1.00 0.00 C ATOM 1213 O PHE A 85 -5.173 -0.003 3.546 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.485 2.593 2.206 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.445 4.093 2.123 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.469 4.794 1.508 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.383 4.801 2.662 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.434 6.173 1.430 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.342 6.180 2.588 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.370 6.867 1.972 1.00 0.00 C ATOM 0 H PHE A 85 -5.035 2.486 4.897 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.408 2.331 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.471 2.218 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.845 2.194 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.305 4.256 1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.578 4.269 3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.238 6.708 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.508 6.720 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.342 7.945 1.914 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.410 -0.124 3.336 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.447 -1.580 3.399 1.00 0.00 C ATOM 1232 C GLN A 86 -7.396 -2.188 2.001 1.00 0.00 C ATOM 1233 O GLN A 86 -8.065 -1.714 1.083 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.709 -2.049 4.126 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.543 -3.383 4.835 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.868 -4.066 5.111 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.336 -4.881 4.316 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.479 -3.737 6.243 1.00 0.00 N ATOM 0 H GLN A 86 -8.323 0.317 3.227 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.571 -1.916 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.000 -1.293 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.524 -2.128 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.920 -4.039 4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.016 -3.227 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.054 -3.056 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.373 -4.165 6.483 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.598 -3.239 1.847 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.458 -3.911 0.560 1.00 0.00 C ATOM 1249 C PHE A 87 -6.254 -5.411 0.749 1.00 0.00 C ATOM 1250 O PHE A 87 -5.485 -5.842 1.609 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.285 -3.320 -0.223 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.944 -3.637 0.375 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.371 -4.886 0.199 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.257 -2.686 1.112 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.138 -5.181 0.749 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.023 -2.976 1.664 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.462 -4.224 1.481 1.00 0.00 C ATOM 0 H PHE A 87 -6.038 -3.644 2.597 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.377 -3.756 -0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.316 -3.695 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.403 -2.238 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.894 -5.637 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.690 -1.707 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.703 -6.159 0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.498 -2.227 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.497 -4.452 1.909 1.00 0.00 H new ATOM 1267 N THR A 88 -6.949 -6.204 -0.061 1.00 0.00 N ATOM 1268 CA THR A 88 -6.846 -7.656 0.017 1.00 0.00 C ATOM 1269 C THR A 88 -5.826 -8.189 -0.982 1.00 0.00 C ATOM 1270 O THR A 88 -5.797 -7.769 -2.139 1.00 0.00 O ATOM 1271 CB THR A 88 -8.206 -8.330 -0.246 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.237 -7.654 0.483 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.170 -9.796 0.159 1.00 0.00 C ATOM 0 H THR A 88 -7.589 -5.865 -0.779 1.00 0.00 H new ATOM 0 HA THR A 88 -6.519 -7.896 1.029 1.00 0.00 H new ATOM 0 HB THR A 88 -8.417 -8.269 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.099 -8.087 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.141 -10.251 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.404 -10.314 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.939 -9.874 1.221 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.990 -9.117 -0.528 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.968 -9.710 -1.383 1.00 0.00 C ATOM 1283 C VAL A 89 -4.471 -10.996 -2.030 1.00 0.00 C ATOM 1284 O VAL A 89 -5.179 -11.783 -1.403 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.682 -10.015 -0.592 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.527 -10.300 -1.540 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.345 -8.862 0.342 1.00 0.00 C ATOM 0 H VAL A 89 -5.000 -9.475 0.427 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.743 -8.980 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.851 -10.905 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.627 -10.513 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.771 -11.161 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.354 -9.431 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.434 -9.094 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.195 -7.953 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.165 -8.711 1.044 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.100 -11.202 -3.290 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.522 -12.395 -4.001 1.00 0.00 C ATOM 1299 C GLY A 90 -3.352 -13.249 -4.446 1.00 0.00 C ATOM 1300 O GLY A 90 -2.259 -13.185 -3.882 1.00 0.00 O ATOM 0 H GLY A 90 -3.515 -10.565 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.175 -12.985 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.109 -12.106 -4.873 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.575 -14.074 -5.480 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.543 -14.962 -6.021 1.00 0.00 C ATOM 1306 C PRO A 91 -1.440 -14.196 -6.745 1.00 0.00 C ATOM 1307 O PRO A 91 -1.708 -13.225 -7.454 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.315 -15.845 -7.005 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.493 -15.026 -7.405 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.854 -14.203 -6.199 1.00 0.00 C ATOM 0 HA PRO A 91 -2.033 -15.520 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.702 -16.105 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.623 -16.781 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.254 -14.388 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.325 -15.661 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.256 -13.230 -6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.611 -14.695 -5.588 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.201 -14.638 -6.562 1.00 0.00 N ATOM 1319 CA LEU A 92 0.943 -13.994 -7.198 1.00 0.00 C ATOM 1320 C LEU A 92 0.647 -13.681 -8.661 1.00 0.00 C ATOM 1321 O LEU A 92 0.681 -12.524 -9.078 1.00 0.00 O ATOM 1322 CB LEU A 92 2.179 -14.889 -7.095 1.00 0.00 C ATOM 1323 CG LEU A 92 3.282 -14.630 -8.122 1.00 0.00 C ATOM 1324 CD1 LEU A 92 4.083 -13.393 -7.745 1.00 0.00 C ATOM 1325 CD2 LEU A 92 4.194 -15.842 -8.243 1.00 0.00 C ATOM 0 H LEU A 92 0.037 -15.440 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 92 1.137 -13.056 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.604 -14.774 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.860 -15.927 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 92 2.815 -14.454 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.863 -13.225 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.421 -12.527 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.539 -13.539 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.973 -15.639 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.653 -16.050 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.611 -16.706 -8.561 1.00 0.00 H new ATOM 1337 N GLY A 93 0.355 -14.721 -9.436 1.00 0.00 N ATOM 1338 CA GLY A 93 0.056 -14.535 -10.844 1.00 0.00 C ATOM 1339 C GLY A 93 0.885 -15.437 -11.737 1.00 0.00 C ATOM 1340 O GLY A 93 0.796 -16.661 -11.647 1.00 0.00 O ATOM 0 H GLY A 93 0.320 -15.688 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.002 -14.731 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.236 -13.495 -11.116 1.00 0.00 H new ATOM 1344 N GLU A 94 1.692 -14.830 -12.602 1.00 0.00 N ATOM 1345 CA GLU A 94 2.538 -15.588 -13.516 1.00 0.00 C ATOM 1346 C GLU A 94 3.229 -16.739 -12.791 1.00 0.00 C ATOM 1347 O GLU A 94 4.228 -16.541 -12.100 1.00 0.00 O ATOM 1348 CB GLU A 94 3.584 -14.672 -14.155 1.00 0.00 C ATOM 1349 CG GLU A 94 3.011 -13.730 -15.201 1.00 0.00 C ATOM 1350 CD GLU A 94 4.081 -13.120 -16.085 1.00 0.00 C ATOM 1351 OE1 GLU A 94 5.188 -12.847 -15.576 1.00 0.00 O ATOM 1352 OE2 GLU A 94 3.810 -12.916 -17.287 1.00 0.00 O ATOM 0 H GLU A 94 1.777 -13.817 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 94 1.903 -16.004 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.066 -14.084 -13.374 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.359 -15.285 -14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.298 -14.273 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.458 -12.933 -14.703 1.00 0.00 H new ATOM 1359 N GLY A 95 2.689 -17.943 -12.953 1.00 0.00 N ATOM 1360 CA GLY A 95 3.265 -19.108 -12.308 1.00 0.00 C ATOM 1361 C GLY A 95 4.220 -19.860 -13.214 1.00 0.00 C ATOM 1362 O GLY A 95 5.321 -19.388 -13.496 1.00 0.00 O ATOM 0 H GLY A 95 1.862 -18.132 -13.520 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.793 -18.796 -11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.465 -19.778 -11.993 1.00 0.00 H new ATOM 1366 N GLY A 96 3.799 -21.035 -13.671 1.00 0.00 N ATOM 1367 CA GLY A 96 4.637 -21.836 -14.544 1.00 0.00 C ATOM 1368 C GLY A 96 4.024 -23.186 -14.858 1.00 0.00 C ATOM 1369 O GLY A 96 2.997 -23.268 -15.531 1.00 0.00 O ATOM 0 H GLY A 96 2.892 -21.447 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.810 -21.294 -15.474 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.610 -21.983 -14.075 1.00 0.00 H new ATOM 1373 N SER A 97 4.657 -24.249 -14.371 1.00 0.00 N ATOM 1374 CA SER A 97 4.170 -25.603 -14.608 1.00 0.00 C ATOM 1375 C SER A 97 4.181 -25.931 -16.098 1.00 0.00 C ATOM 1376 O SER A 97 3.259 -26.562 -16.613 1.00 0.00 O ATOM 1377 CB SER A 97 2.755 -25.765 -14.049 1.00 0.00 C ATOM 1378 OG SER A 97 2.444 -27.131 -13.838 1.00 0.00 O ATOM 0 H SER A 97 5.508 -24.199 -13.810 1.00 0.00 H new ATOM 0 HA SER A 97 4.836 -26.297 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.667 -25.219 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.035 -25.327 -14.740 1.00 0.00 H new ATOM 0 HG SER A 97 2.547 -27.624 -14.679 1.00 0.00 H new ATOM 1384 N GLY A 98 5.233 -25.496 -16.786 1.00 0.00 N ATOM 1385 CA GLY A 98 5.345 -25.751 -18.210 1.00 0.00 C ATOM 1386 C GLY A 98 5.261 -27.228 -18.543 1.00 0.00 C ATOM 1387 O GLY A 98 4.834 -28.046 -17.728 1.00 0.00 O ATOM 0 H GLY A 98 6.009 -24.972 -16.382 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.552 -25.218 -18.735 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.292 -25.353 -18.574 1.00 0.00 H new ATOM 1391 N PRO A 99 5.674 -27.587 -19.767 1.00 0.00 N ATOM 1392 CA PRO A 99 5.652 -28.977 -20.234 1.00 0.00 C ATOM 1393 C PRO A 99 6.687 -29.843 -19.524 1.00 0.00 C ATOM 1394 O PRO A 99 7.629 -29.332 -18.920 1.00 0.00 O ATOM 1395 CB PRO A 99 5.987 -28.856 -21.723 1.00 0.00 C ATOM 1396 CG PRO A 99 6.758 -27.587 -21.836 1.00 0.00 C ATOM 1397 CD PRO A 99 6.195 -26.665 -20.790 1.00 0.00 C ATOM 0 HA PRO A 99 4.694 -29.459 -20.036 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.574 -29.708 -22.067 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.083 -28.825 -22.331 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.821 -27.761 -21.671 1.00 0.00 H new ATOM 0 HG3 PRO A 99 6.656 -27.156 -22.832 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.960 -26.004 -20.383 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.408 -26.029 -21.196 1.00 0.00 H new ATOM 1405 N SER A 100 6.505 -31.157 -19.601 1.00 0.00 N ATOM 1406 CA SER A 100 7.421 -32.095 -18.963 1.00 0.00 C ATOM 1407 C SER A 100 8.869 -31.648 -19.143 1.00 0.00 C ATOM 1408 O SER A 100 9.373 -31.577 -20.263 1.00 0.00 O ATOM 1409 CB SER A 100 7.233 -33.499 -19.541 1.00 0.00 C ATOM 1410 OG SER A 100 7.812 -33.601 -20.831 1.00 0.00 O ATOM 0 H SER A 100 5.731 -31.597 -20.099 1.00 0.00 H new ATOM 0 HA SER A 100 7.195 -32.116 -17.897 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.687 -34.233 -18.876 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.170 -33.734 -19.596 1.00 0.00 H new ATOM 0 HG SER A 100 8.302 -32.777 -21.036 1.00 0.00 H new ATOM 1416 N SER A 101 9.531 -31.348 -18.031 1.00 0.00 N ATOM 1417 CA SER A 101 10.920 -30.903 -18.064 1.00 0.00 C ATOM 1418 C SER A 101 11.645 -31.289 -16.779 1.00 0.00 C ATOM 1419 O SER A 101 11.359 -30.756 -15.708 1.00 0.00 O ATOM 1420 CB SER A 101 10.988 -29.389 -18.267 1.00 0.00 C ATOM 1421 OG SER A 101 10.432 -29.016 -19.516 1.00 0.00 O ATOM 0 H SER A 101 9.129 -31.405 -17.095 1.00 0.00 H new ATOM 0 HA SER A 101 11.414 -31.397 -18.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.451 -28.887 -17.462 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.025 -29.058 -18.214 1.00 0.00 H new ATOM 0 HG SER A 101 9.454 -29.045 -19.461 1.00 0.00 H new ATOM 1427 N GLY A 102 12.587 -32.220 -16.894 1.00 0.00 N ATOM 1428 CA GLY A 102 13.340 -32.662 -15.735 1.00 0.00 C ATOM 1429 C GLY A 102 14.837 -32.517 -15.925 1.00 0.00 C ATOM 1430 O GLY A 102 15.570 -33.506 -15.907 1.00 0.00 O ATOM 0 H GLY A 102 12.842 -32.676 -17.770 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.030 -32.086 -14.863 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.103 -33.706 -15.528 1.00 0.00 H new TER 1434 GLY A 102