USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 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 24 MET CE :methyl -112:sc= -0.689 (180deg=-1.13) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -0.817 USER MOD Set 2.2: A 31 MET CE :methyl -154:sc= -0.187 (180deg=-0.989) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.633 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.0642 (180deg=-0.262) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 139:sc= -0.248 (180deg=-1) USER MOD Single : A 18 GLN : amide:sc= 0.296 K(o=0.3,f=-7.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 61:sc= 0.505 USER MOD Single : A 45 ASN : amide:sc= -0.771 K(o=-0.77,f=-6.4!) USER MOD Single : A 52 SER OG : rot 180:sc= -1.12 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= 1.13 (180deg=-1.97!) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 1.3 (180deg=1.03) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 90:sc= 0.958 USER MOD Single : A 72 MET CE :methyl -159:sc= -0.168 (180deg=-0.791) USER MOD Single : A 75 ASN : amide:sc= -0.0893 X(o=-0.089,f=-0.1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 164:sc= -2.84 (180deg=-3.17) USER MOD Single : A 81 TYR OH : rot -141:sc= 0.0971 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0168 (180deg=-0.275) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 20.563 -6.617 -14.541 1.00 1.00 N ATOM 2 CA GLY A -5 21.545 -7.604 -14.029 1.00 1.00 C ATOM 3 C GLY A -5 21.150 -8.136 -12.669 1.00 1.00 C ATOM 4 O GLY A -5 20.241 -8.960 -12.554 1.00 1.00 O ATOM 0 H1 GLY A -5 20.868 -6.276 -15.475 1.00 1.00 H new ATOM 0 H2 GLY A -5 19.630 -7.068 -14.626 1.00 1.00 H new ATOM 0 H3 GLY A -5 20.502 -5.815 -13.882 1.00 1.00 H new ATOM 0 HA2 GLY A -5 21.629 -8.432 -14.733 1.00 1.00 H new ATOM 0 HA3 GLY A -5 22.529 -7.139 -13.966 1.00 1.00 H new ATOM 10 N ILE A -4 21.821 -7.652 -11.635 1.00 1.00 N ATOM 11 CA ILE A -4 21.517 -8.046 -10.270 1.00 1.00 C ATOM 12 C ILE A -4 20.576 -7.031 -9.636 1.00 1.00 C ATOM 13 O ILE A -4 20.912 -5.852 -9.518 1.00 1.00 O ATOM 14 CB ILE A -4 22.798 -8.164 -9.412 1.00 1.00 C ATOM 15 CG1 ILE A -4 23.737 -9.226 -9.994 1.00 1.00 C ATOM 16 CG2 ILE A -4 22.451 -8.492 -7.964 1.00 1.00 C ATOM 17 CD1 ILE A -4 23.138 -10.618 -10.026 1.00 1.00 C ATOM 0 H ILE A -4 22.585 -6.981 -11.718 1.00 1.00 H new ATOM 0 HA ILE A -4 21.040 -9.025 -10.306 1.00 1.00 H new ATOM 0 HB ILE A -4 23.311 -7.202 -9.429 1.00 1.00 H new ATOM 0 HG12 ILE A -4 24.015 -8.936 -11.007 1.00 1.00 H new ATOM 0 HG13 ILE A -4 24.655 -9.248 -9.406 1.00 1.00 H new ATOM 0 HG21 ILE A -4 23.367 -8.570 -7.379 1.00 1.00 H new ATOM 0 HG22 ILE A -4 21.824 -7.701 -7.552 1.00 1.00 H new ATOM 0 HG23 ILE A -4 21.913 -9.439 -7.924 1.00 1.00 H new ATOM 0 HD11 ILE A -4 23.860 -11.315 -10.450 1.00 1.00 H new ATOM 0 HD12 ILE A -4 22.886 -10.929 -9.012 1.00 1.00 H new ATOM 0 HD13 ILE A -4 22.236 -10.612 -10.638 1.00 1.00 H new ATOM 29 N ASP A -3 19.389 -7.482 -9.268 1.00 1.00 N ATOM 30 CA ASP A -3 18.412 -6.625 -8.610 1.00 1.00 C ATOM 31 C ASP A -3 18.559 -6.713 -7.095 1.00 1.00 C ATOM 32 O ASP A -3 18.267 -7.742 -6.488 1.00 1.00 O ATOM 33 CB ASP A -3 16.982 -6.989 -9.042 1.00 1.00 C ATOM 34 CG ASP A -3 16.698 -8.479 -8.989 1.00 1.00 C ATOM 35 OD1 ASP A -3 17.019 -9.182 -9.973 1.00 1.00 O ATOM 36 OD2 ASP A -3 16.150 -8.962 -7.978 1.00 1.00 O ATOM 0 H ASP A -3 19.075 -8.442 -9.414 1.00 1.00 H new ATOM 0 HA ASP A -3 18.602 -5.596 -8.914 1.00 1.00 H new ATOM 0 HB2 ASP A -3 16.272 -6.468 -8.399 1.00 1.00 H new ATOM 0 HB3 ASP A -3 16.815 -6.630 -10.058 1.00 1.00 H new ATOM 41 N PRO A -2 19.056 -5.639 -6.466 1.00 1.00 N ATOM 42 CA PRO A -2 19.245 -5.579 -5.025 1.00 1.00 C ATOM 43 C PRO A -2 18.018 -5.049 -4.283 1.00 1.00 C ATOM 44 O PRO A -2 17.740 -5.470 -3.158 1.00 1.00 O ATOM 45 CB PRO A -2 20.428 -4.612 -4.863 1.00 1.00 C ATOM 46 CG PRO A -2 20.647 -3.973 -6.206 1.00 1.00 C ATOM 47 CD PRO A -2 19.518 -4.408 -7.104 1.00 1.00 C ATOM 0 HA PRO A -2 19.417 -6.569 -4.602 1.00 1.00 H new ATOM 0 HB2 PRO A -2 20.212 -3.858 -4.106 1.00 1.00 H new ATOM 0 HB3 PRO A -2 21.322 -5.144 -4.537 1.00 1.00 H new ATOM 0 HG2 PRO A -2 20.668 -2.887 -6.115 1.00 1.00 H new ATOM 0 HG3 PRO A -2 21.607 -4.276 -6.623 1.00 1.00 H new ATOM 0 HD2 PRO A -2 18.729 -3.658 -7.155 1.00 1.00 H new ATOM 0 HD3 PRO A -2 19.857 -4.584 -8.125 1.00 1.00 H new ATOM 55 N PHE A -1 17.291 -4.130 -4.925 1.00 1.00 N ATOM 56 CA PHE A -1 16.133 -3.467 -4.317 1.00 1.00 C ATOM 57 C PHE A -1 16.542 -2.652 -3.088 1.00 1.00 C ATOM 58 O PHE A -1 17.727 -2.552 -2.756 1.00 1.00 O ATOM 59 CB PHE A -1 15.043 -4.483 -3.946 1.00 1.00 C ATOM 60 CG PHE A -1 14.406 -5.143 -5.137 1.00 1.00 C ATOM 61 CD1 PHE A -1 13.508 -4.446 -5.930 1.00 1.00 C ATOM 62 CD2 PHE A -1 14.698 -6.458 -5.459 1.00 1.00 C ATOM 63 CE1 PHE A -1 12.916 -5.047 -7.024 1.00 1.00 C ATOM 64 CE2 PHE A -1 14.107 -7.064 -6.552 1.00 1.00 C ATOM 65 CZ PHE A -1 13.216 -6.358 -7.335 1.00 1.00 C ATOM 0 H PHE A -1 17.488 -3.825 -5.878 1.00 1.00 H new ATOM 0 HA PHE A -1 15.724 -2.782 -5.060 1.00 1.00 H new ATOM 0 HB2 PHE A -1 15.476 -5.250 -3.304 1.00 1.00 H new ATOM 0 HB3 PHE A -1 14.271 -3.979 -3.364 1.00 1.00 H new ATOM 0 HD1 PHE A -1 13.268 -3.421 -5.690 1.00 1.00 H new ATOM 0 HD2 PHE A -1 15.394 -7.016 -4.850 1.00 1.00 H new ATOM 0 HE1 PHE A -1 12.220 -4.492 -7.635 1.00 1.00 H new ATOM 0 HE2 PHE A -1 14.342 -8.090 -6.793 1.00 1.00 H new ATOM 0 HZ PHE A -1 12.754 -6.831 -8.189 1.00 1.00 H new ATOM 75 N THR A 0 15.565 -2.054 -2.425 1.00 1.00 N ATOM 76 CA THR A 0 15.827 -1.263 -1.239 1.00 1.00 C ATOM 77 C THR A 0 15.556 -2.092 0.014 1.00 1.00 C ATOM 78 O THR A 0 14.436 -2.105 0.529 1.00 1.00 O ATOM 79 CB THR A 0 14.960 0.011 -1.223 1.00 1.00 C ATOM 80 OG1 THR A 0 15.039 0.663 -2.501 1.00 1.00 O ATOM 81 CG2 THR A 0 15.418 0.970 -0.131 1.00 1.00 C ATOM 0 H THR A 0 14.582 -2.103 -2.691 1.00 1.00 H new ATOM 0 HA THR A 0 16.875 -0.965 -1.254 1.00 1.00 H new ATOM 0 HB THR A 0 13.929 -0.277 -1.017 1.00 1.00 H new ATOM 0 HG1 THR A 0 14.486 1.472 -2.490 1.00 1.00 H new ATOM 0 HG21 THR A 0 14.790 1.860 -0.142 1.00 1.00 H new ATOM 0 HG22 THR A 0 15.338 0.481 0.840 1.00 1.00 H new ATOM 0 HG23 THR A 0 16.455 1.256 -0.309 1.00 1.00 H new ATOM 89 N MET A 1 16.589 -2.806 0.473 1.00 1.00 N ATOM 90 CA MET A 1 16.478 -3.694 1.633 1.00 1.00 C ATOM 91 C MET A 1 15.468 -4.802 1.347 1.00 1.00 C ATOM 92 O MET A 1 15.108 -5.037 0.190 1.00 1.00 O ATOM 93 CB MET A 1 16.072 -2.898 2.877 1.00 1.00 C ATOM 94 CG MET A 1 17.012 -1.744 3.176 1.00 1.00 C ATOM 95 SD MET A 1 16.408 -0.667 4.485 1.00 1.00 S ATOM 96 CE MET A 1 17.631 0.637 4.411 1.00 1.00 C ATOM 0 H MET A 1 17.519 -2.785 0.054 1.00 1.00 H new ATOM 0 HA MET A 1 17.449 -4.150 1.824 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.062 -2.511 2.740 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.043 -3.568 3.737 1.00 1.00 H new ATOM 0 HG2 MET A 1 17.987 -2.141 3.460 1.00 1.00 H new ATOM 0 HG3 MET A 1 17.159 -1.158 2.269 1.00 1.00 H new ATOM 0 HE1 MET A 1 17.403 1.393 5.163 1.00 1.00 H new ATOM 0 HE2 MET A 1 18.620 0.220 4.603 1.00 1.00 H new ATOM 0 HE3 MET A 1 17.616 1.094 3.422 1.00 1.00 H new ATOM 106 N VAL A 2 15.032 -5.512 2.376 1.00 1.00 N ATOM 107 CA VAL A 2 13.987 -6.503 2.186 1.00 1.00 C ATOM 108 C VAL A 2 12.622 -5.821 2.248 1.00 1.00 C ATOM 109 O VAL A 2 12.095 -5.517 3.320 1.00 1.00 O ATOM 110 CB VAL A 2 14.085 -7.684 3.191 1.00 1.00 C ATOM 111 CG1 VAL A 2 14.076 -7.211 4.635 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.965 -8.686 2.952 1.00 1.00 C ATOM 0 H VAL A 2 15.377 -5.424 3.332 1.00 1.00 H new ATOM 0 HA VAL A 2 14.121 -6.947 1.200 1.00 1.00 H new ATOM 0 HB VAL A 2 15.042 -8.175 3.017 1.00 1.00 H new ATOM 0 HG11 VAL A 2 14.146 -8.072 5.300 1.00 1.00 H new ATOM 0 HG12 VAL A 2 14.925 -6.549 4.806 1.00 1.00 H new ATOM 0 HG13 VAL A 2 13.150 -6.672 4.836 1.00 1.00 H new ATOM 0 HG21 VAL A 2 13.051 -9.505 3.666 1.00 1.00 H new ATOM 0 HG22 VAL A 2 12.002 -8.193 3.081 1.00 1.00 H new ATOM 0 HG23 VAL A 2 13.039 -9.079 1.938 1.00 1.00 H new ATOM 122 N ALA A 3 12.082 -5.526 1.078 1.00 1.00 N ATOM 123 CA ALA A 3 10.817 -4.825 0.979 1.00 1.00 C ATOM 124 C ALA A 3 9.918 -5.469 -0.066 1.00 1.00 C ATOM 125 O ALA A 3 10.394 -6.027 -1.056 1.00 1.00 O ATOM 126 CB ALA A 3 11.053 -3.359 0.648 1.00 1.00 C ATOM 0 H ALA A 3 12.504 -5.763 0.180 1.00 1.00 H new ATOM 0 HA ALA A 3 10.313 -4.891 1.943 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.095 -2.843 0.576 1.00 1.00 H new ATOM 0 HB2 ALA A 3 11.654 -2.901 1.434 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.579 -3.281 -0.303 1.00 1.00 H new ATOM 132 N LEU A 4 8.624 -5.384 0.167 1.00 1.00 N ATOM 133 CA LEU A 4 7.636 -5.954 -0.725 1.00 1.00 C ATOM 134 C LEU A 4 7.321 -4.972 -1.846 1.00 1.00 C ATOM 135 O LEU A 4 6.747 -3.908 -1.608 1.00 1.00 O ATOM 136 CB LEU A 4 6.363 -6.294 0.056 1.00 1.00 C ATOM 137 CG LEU A 4 6.575 -7.139 1.316 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.258 -7.357 2.041 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.221 -8.473 0.968 1.00 1.00 C ATOM 0 H LEU A 4 8.227 -4.917 0.982 1.00 1.00 H new ATOM 0 HA LEU A 4 8.035 -6.869 -1.162 1.00 1.00 H new ATOM 0 HB2 LEU A 4 5.872 -5.364 0.341 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.680 -6.825 -0.607 1.00 1.00 H new ATOM 0 HG LEU A 4 7.248 -6.597 1.981 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.429 -7.959 2.933 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.837 -6.394 2.329 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.561 -7.875 1.382 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.362 -9.057 1.877 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.576 -9.021 0.281 1.00 1.00 H new ATOM 0 HD23 LEU A 4 8.188 -8.297 0.496 1.00 1.00 H new ATOM 151 N SER A 5 7.724 -5.313 -3.060 1.00 1.00 N ATOM 152 CA SER A 5 7.466 -4.464 -4.212 1.00 1.00 C ATOM 153 C SER A 5 6.042 -4.666 -4.719 1.00 1.00 C ATOM 154 O SER A 5 5.744 -5.663 -5.374 1.00 1.00 O ATOM 155 CB SER A 5 8.460 -4.779 -5.328 1.00 1.00 C ATOM 156 OG SER A 5 9.798 -4.593 -4.892 1.00 1.00 O ATOM 0 H SER A 5 8.231 -6.172 -3.273 1.00 1.00 H new ATOM 0 HA SER A 5 7.585 -3.424 -3.907 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.323 -5.808 -5.661 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.262 -4.137 -6.187 1.00 1.00 H new ATOM 0 HG SER A 5 10.413 -4.803 -5.625 1.00 1.00 H new ATOM 162 N LEU A 6 5.166 -3.727 -4.414 1.00 1.00 N ATOM 163 CA LEU A 6 3.783 -3.824 -4.850 1.00 1.00 C ATOM 164 C LEU A 6 3.399 -2.629 -5.699 1.00 1.00 C ATOM 165 O LEU A 6 4.066 -1.591 -5.686 1.00 1.00 O ATOM 166 CB LEU A 6 2.819 -3.945 -3.665 1.00 1.00 C ATOM 167 CG LEU A 6 2.628 -5.360 -3.107 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.829 -5.791 -2.282 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.357 -5.434 -2.281 1.00 1.00 C ATOM 0 H LEU A 6 5.384 -2.893 -3.869 1.00 1.00 H new ATOM 0 HA LEU A 6 3.702 -4.731 -5.449 1.00 1.00 H new ATOM 0 HB2 LEU A 6 3.178 -3.302 -2.861 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.846 -3.560 -3.971 1.00 1.00 H new ATOM 0 HG LEU A 6 2.538 -6.047 -3.948 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.665 -6.798 -1.899 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.722 -5.781 -2.907 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.963 -5.103 -1.447 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.235 -6.445 -1.891 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.421 -4.730 -1.451 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.501 -5.180 -2.907 1.00 1.00 H new ATOM 181 N LYS A 7 2.323 -2.791 -6.442 1.00 1.00 N ATOM 182 CA LYS A 7 1.815 -1.737 -7.290 1.00 1.00 C ATOM 183 C LYS A 7 0.657 -1.037 -6.598 1.00 1.00 C ATOM 184 O LYS A 7 -0.384 -1.643 -6.339 1.00 1.00 O ATOM 185 CB LYS A 7 1.370 -2.311 -8.632 1.00 1.00 C ATOM 186 CG LYS A 7 2.491 -2.981 -9.408 1.00 1.00 C ATOM 187 CD LYS A 7 2.009 -3.510 -10.748 1.00 1.00 C ATOM 188 CE LYS A 7 0.961 -4.596 -10.576 1.00 1.00 C ATOM 189 NZ LYS A 7 0.478 -5.113 -11.882 1.00 1.00 N ATOM 0 H LYS A 7 1.780 -3.654 -6.474 1.00 1.00 H new ATOM 0 HA LYS A 7 2.606 -1.010 -7.473 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.574 -3.035 -8.462 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.948 -1.510 -9.239 1.00 1.00 H new ATOM 0 HG2 LYS A 7 3.300 -2.268 -9.568 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.901 -3.801 -8.819 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.592 -2.691 -11.335 1.00 1.00 H new ATOM 0 HD3 LYS A 7 2.855 -3.906 -11.309 1.00 1.00 H new ATOM 0 HE2 LYS A 7 1.381 -5.416 -9.994 1.00 1.00 H new ATOM 0 HE3 LYS A 7 0.119 -4.201 -10.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -0.236 -5.852 -11.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 0.054 -4.336 -12.428 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 1.277 -5.514 -12.414 1.00 1.00 H new ATOM 203 N ILE A 8 0.848 0.231 -6.287 1.00 1.00 N ATOM 204 CA ILE A 8 -0.148 0.999 -5.569 1.00 1.00 C ATOM 205 C ILE A 8 -0.911 1.906 -6.521 1.00 1.00 C ATOM 206 O ILE A 8 -0.357 2.861 -7.063 1.00 1.00 O ATOM 207 CB ILE A 8 0.489 1.853 -4.458 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.365 0.985 -3.553 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.590 2.551 -3.647 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.617 -0.145 -2.877 1.00 1.00 C ATOM 0 H ILE A 8 1.692 0.753 -6.523 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.835 0.288 -5.111 1.00 1.00 H new ATOM 0 HB ILE A 8 1.120 2.612 -4.920 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.179 0.566 -4.145 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.818 1.616 -2.789 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.126 3.152 -2.865 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.176 3.197 -4.301 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.243 1.806 -3.193 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.305 -0.715 -2.253 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.180 0.266 -2.257 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.186 -0.800 -3.634 1.00 1.00 H new ATOM 222 N SER A 9 -2.177 1.601 -6.726 1.00 1.00 N ATOM 223 CA SER A 9 -2.997 2.359 -7.649 1.00 1.00 C ATOM 224 C SER A 9 -3.801 3.422 -6.909 1.00 1.00 C ATOM 225 O SER A 9 -4.738 3.110 -6.173 1.00 1.00 O ATOM 226 CB SER A 9 -3.928 1.419 -8.416 1.00 1.00 C ATOM 227 OG SER A 9 -4.608 2.100 -9.456 1.00 1.00 O ATOM 0 H SER A 9 -2.661 0.831 -6.264 1.00 1.00 H new ATOM 0 HA SER A 9 -2.344 2.864 -8.361 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.351 0.595 -8.835 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.654 0.983 -7.729 1.00 1.00 H new ATOM 0 HG SER A 9 -5.194 1.473 -9.929 1.00 1.00 H new ATOM 233 N ILE A 10 -3.408 4.674 -7.089 1.00 1.00 N ATOM 234 CA ILE A 10 -4.147 5.796 -6.537 1.00 1.00 C ATOM 235 C ILE A 10 -5.385 6.042 -7.390 1.00 1.00 C ATOM 236 O ILE A 10 -5.314 6.683 -8.442 1.00 1.00 O ATOM 237 CB ILE A 10 -3.283 7.076 -6.481 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.033 6.838 -5.631 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.090 8.242 -5.920 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.957 7.883 -5.835 1.00 1.00 C ATOM 0 H ILE A 10 -2.576 4.938 -7.617 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.436 5.550 -5.515 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.973 7.327 -7.495 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.317 6.820 -4.579 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.624 5.856 -5.867 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.465 9.135 -5.888 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.954 8.427 -6.558 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.428 7.999 -4.913 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.101 7.652 -5.202 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.646 7.886 -6.880 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.349 8.865 -5.571 1.00 1.00 H new ATOM 252 N GLY A 11 -6.505 5.482 -6.957 1.00 1.00 N ATOM 253 CA GLY A 11 -7.721 5.542 -7.744 1.00 1.00 C ATOM 254 C GLY A 11 -7.654 4.607 -8.935 1.00 1.00 C ATOM 255 O GLY A 11 -8.251 3.530 -8.928 1.00 1.00 O ATOM 0 H GLY A 11 -6.594 4.985 -6.071 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.574 5.278 -7.119 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.883 6.563 -8.089 1.00 1.00 H new ATOM 259 N ASN A 12 -6.915 5.019 -9.955 1.00 1.00 N ATOM 260 CA ASN A 12 -6.693 4.193 -11.137 1.00 1.00 C ATOM 261 C ASN A 12 -5.297 4.436 -11.705 1.00 1.00 C ATOM 262 O ASN A 12 -4.945 3.915 -12.763 1.00 1.00 O ATOM 263 CB ASN A 12 -7.755 4.468 -12.210 1.00 1.00 C ATOM 264 CG ASN A 12 -7.766 5.911 -12.681 1.00 1.00 C ATOM 265 OD1 ASN A 12 -7.058 6.279 -13.618 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.584 6.732 -12.043 1.00 1.00 N ATOM 0 H ASN A 12 -6.454 5.929 -9.989 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.774 3.149 -10.835 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.577 3.815 -13.064 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -8.738 4.214 -11.813 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -8.645 7.711 -12.323 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -9.154 6.386 -11.271 1.00 1.00 H new ATOM 273 N VAL A 13 -4.503 5.224 -10.985 1.00 1.00 N ATOM 274 CA VAL A 13 -3.148 5.550 -11.412 1.00 1.00 C ATOM 275 C VAL A 13 -2.142 4.850 -10.501 1.00 1.00 C ATOM 276 O VAL A 13 -2.003 5.201 -9.330 1.00 1.00 O ATOM 277 CB VAL A 13 -2.905 7.076 -11.384 1.00 1.00 C ATOM 278 CG1 VAL A 13 -1.621 7.429 -12.113 1.00 1.00 C ATOM 279 CG2 VAL A 13 -4.085 7.826 -11.987 1.00 1.00 C ATOM 0 H VAL A 13 -4.777 5.650 -10.100 1.00 1.00 H new ATOM 0 HA VAL A 13 -3.020 5.205 -12.438 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.804 7.381 -10.343 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -1.469 8.508 -12.081 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.780 6.930 -11.631 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -1.690 7.103 -13.151 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.889 8.898 -11.955 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -4.225 7.513 -13.022 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.987 7.605 -11.416 1.00 1.00 H new ATOM 289 N VAL A 14 -1.440 3.865 -11.040 1.00 1.00 N ATOM 290 CA VAL A 14 -0.654 2.954 -10.216 1.00 1.00 C ATOM 291 C VAL A 14 0.846 3.272 -10.235 1.00 1.00 C ATOM 292 O VAL A 14 1.437 3.534 -11.284 1.00 1.00 O ATOM 293 CB VAL A 14 -0.895 1.483 -10.641 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.562 1.264 -12.108 1.00 1.00 C ATOM 295 CG2 VAL A 14 -0.106 0.525 -9.768 1.00 1.00 C ATOM 0 H VAL A 14 -1.397 3.675 -12.041 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.996 3.095 -9.191 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.957 1.277 -10.504 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.743 0.222 -12.370 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.190 1.908 -12.724 1.00 1.00 H new ATOM 0 HG13 VAL A 14 0.486 1.506 -12.283 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -0.295 -0.499 -10.089 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.958 0.743 -9.858 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.414 0.642 -8.729 1.00 1.00 H new ATOM 305 N LYS A 15 1.443 3.258 -9.048 1.00 1.00 N ATOM 306 CA LYS A 15 2.883 3.443 -8.875 1.00 1.00 C ATOM 307 C LYS A 15 3.487 2.204 -8.221 1.00 1.00 C ATOM 308 O LYS A 15 2.862 1.587 -7.362 1.00 1.00 O ATOM 309 CB LYS A 15 3.181 4.668 -8.000 1.00 1.00 C ATOM 310 CG LYS A 15 3.396 5.965 -8.768 1.00 1.00 C ATOM 311 CD LYS A 15 2.126 6.468 -9.431 1.00 1.00 C ATOM 312 CE LYS A 15 2.374 7.778 -10.159 1.00 1.00 C ATOM 313 NZ LYS A 15 1.171 8.248 -10.891 1.00 1.00 N ATOM 0 H LYS A 15 0.940 3.117 -8.172 1.00 1.00 H new ATOM 0 HA LYS A 15 3.324 3.600 -9.859 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.355 4.808 -7.302 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.070 4.463 -7.404 1.00 1.00 H new ATOM 0 HG2 LYS A 15 3.773 6.728 -8.087 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.162 5.810 -9.528 1.00 1.00 H new ATOM 0 HD2 LYS A 15 1.758 5.721 -10.134 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.349 6.607 -8.679 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.681 8.539 -9.441 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.198 7.651 -10.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.353 9.192 -11.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 0.952 7.585 -11.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.364 8.297 -10.237 1.00 1.00 H new ATOM 327 N THR A 16 4.695 1.837 -8.621 1.00 1.00 N ATOM 328 CA THR A 16 5.357 0.673 -8.049 1.00 1.00 C ATOM 329 C THR A 16 6.316 1.098 -6.937 1.00 1.00 C ATOM 330 O THR A 16 7.309 1.781 -7.191 1.00 1.00 O ATOM 331 CB THR A 16 6.130 -0.113 -9.125 1.00 1.00 C ATOM 332 OG1 THR A 16 5.267 -0.408 -10.234 1.00 1.00 O ATOM 333 CG2 THR A 16 6.686 -1.413 -8.557 1.00 1.00 C ATOM 0 H THR A 16 5.235 2.325 -9.336 1.00 1.00 H new ATOM 0 HA THR A 16 4.586 0.025 -7.633 1.00 1.00 H new ATOM 0 HB THR A 16 6.962 0.505 -9.462 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.767 -0.906 -10.914 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.227 -1.949 -9.337 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.364 -1.190 -7.733 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.865 -2.032 -8.194 1.00 1.00 H new ATOM 341 N MET A 17 6.016 0.703 -5.704 1.00 1.00 N ATOM 342 CA MET A 17 6.852 1.070 -4.566 1.00 1.00 C ATOM 343 C MET A 17 7.181 -0.148 -3.714 1.00 1.00 C ATOM 344 O MET A 17 6.522 -1.185 -3.808 1.00 1.00 O ATOM 345 CB MET A 17 6.176 2.145 -3.710 1.00 1.00 C ATOM 346 CG MET A 17 6.128 3.515 -4.372 1.00 1.00 C ATOM 347 SD MET A 17 5.473 4.797 -3.285 1.00 1.00 S ATOM 348 CE MET A 17 6.652 4.736 -1.937 1.00 1.00 C ATOM 0 H MET A 17 5.205 0.132 -5.468 1.00 1.00 H new ATOM 0 HA MET A 17 7.783 1.478 -4.961 1.00 1.00 H new ATOM 0 HB2 MET A 17 5.159 1.827 -3.480 1.00 1.00 H new ATOM 0 HB3 MET A 17 6.707 2.228 -2.761 1.00 1.00 H new ATOM 0 HG2 MET A 17 7.132 3.794 -4.691 1.00 1.00 H new ATOM 0 HG3 MET A 17 5.513 3.458 -5.270 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.887 5.750 -1.613 1.00 1.00 H new ATOM 0 HE2 MET A 17 6.224 4.179 -1.104 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.564 4.242 -2.273 1.00 1.00 H new ATOM 358 N GLN A 18 8.210 -0.014 -2.889 1.00 1.00 N ATOM 359 CA GLN A 18 8.666 -1.106 -2.044 1.00 1.00 C ATOM 360 C GLN A 18 8.314 -0.841 -0.586 1.00 1.00 C ATOM 361 O GLN A 18 8.828 0.092 0.028 1.00 1.00 O ATOM 362 CB GLN A 18 10.177 -1.291 -2.185 1.00 1.00 C ATOM 363 CG GLN A 18 10.625 -1.598 -3.602 1.00 1.00 C ATOM 364 CD GLN A 18 12.129 -1.713 -3.723 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.812 -2.120 -2.786 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.656 -1.358 -4.880 1.00 1.00 N ATOM 0 H GLN A 18 8.747 0.847 -2.788 1.00 1.00 H new ATOM 0 HA GLN A 18 8.163 -2.018 -2.366 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.678 -0.386 -1.843 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.498 -2.100 -1.529 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.165 -2.530 -3.931 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.269 -0.814 -4.270 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.055 -1.025 -5.634 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.665 -1.417 -5.020 1.00 1.00 H new ATOM 375 N PHE A 19 7.436 -1.662 -0.040 1.00 1.00 N ATOM 376 CA PHE A 19 7.025 -1.528 1.348 1.00 1.00 C ATOM 377 C PHE A 19 7.614 -2.656 2.181 1.00 1.00 C ATOM 378 O PHE A 19 7.433 -3.823 1.854 1.00 1.00 O ATOM 379 CB PHE A 19 5.509 -1.585 1.468 1.00 1.00 C ATOM 380 CG PHE A 19 4.758 -0.530 0.711 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.409 -0.730 -0.611 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.370 0.641 1.338 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.690 0.224 -1.300 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.644 1.597 0.656 1.00 1.00 C ATOM 385 CZ PHE A 19 3.304 1.389 -0.665 1.00 1.00 C ATOM 0 H PHE A 19 6.991 -2.433 -0.538 1.00 1.00 H new ATOM 0 HA PHE A 19 7.385 -0.565 1.711 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.172 -2.563 1.124 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.243 -1.509 2.522 1.00 1.00 H new ATOM 0 HD1 PHE A 19 4.702 -1.642 -1.109 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.638 0.809 2.371 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.429 0.061 -2.335 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.343 2.506 1.156 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.737 2.135 -1.202 1.00 1.00 H new ATOM 395 N GLU A 20 8.300 -2.319 3.259 1.00 1.00 N ATOM 396 CA GLU A 20 8.880 -3.332 4.131 1.00 1.00 C ATOM 397 C GLU A 20 7.779 -4.170 4.780 1.00 1.00 C ATOM 398 O GLU A 20 6.731 -3.650 5.147 1.00 1.00 O ATOM 399 CB GLU A 20 9.757 -2.677 5.197 1.00 1.00 C ATOM 400 CG GLU A 20 10.968 -1.966 4.620 1.00 1.00 C ATOM 401 CD GLU A 20 11.818 -1.307 5.683 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.510 -2.029 6.425 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.800 -0.063 5.777 1.00 1.00 O ATOM 0 H GLU A 20 8.470 -1.357 3.553 1.00 1.00 H new ATOM 0 HA GLU A 20 9.505 -3.993 3.530 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.159 -1.962 5.762 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.092 -3.439 5.901 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.576 -2.682 4.067 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.636 -1.212 3.907 1.00 1.00 H new ATOM 410 N PRO A 21 7.997 -5.486 4.914 1.00 1.00 N ATOM 411 CA PRO A 21 6.999 -6.399 5.487 1.00 1.00 C ATOM 412 C PRO A 21 6.596 -6.011 6.909 1.00 1.00 C ATOM 413 O PRO A 21 5.462 -6.243 7.329 1.00 1.00 O ATOM 414 CB PRO A 21 7.708 -7.758 5.480 1.00 1.00 C ATOM 415 CG PRO A 21 8.780 -7.628 4.455 1.00 1.00 C ATOM 416 CD PRO A 21 9.221 -6.194 4.506 1.00 1.00 C ATOM 0 HA PRO A 21 6.069 -6.387 4.919 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.125 -7.991 6.460 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.017 -8.562 5.228 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.610 -8.301 4.670 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.408 -7.888 3.464 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.030 -6.046 5.221 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.584 -5.848 3.538 1.00 1.00 H new ATOM 424 N SER A 22 7.522 -5.401 7.639 1.00 1.00 N ATOM 425 CA SER A 22 7.263 -4.996 9.014 1.00 1.00 C ATOM 426 C SER A 22 6.534 -3.654 9.070 1.00 1.00 C ATOM 427 O SER A 22 6.155 -3.186 10.144 1.00 1.00 O ATOM 428 CB SER A 22 8.573 -4.911 9.786 1.00 1.00 C ATOM 429 OG SER A 22 9.329 -6.103 9.637 1.00 1.00 O ATOM 0 H SER A 22 8.458 -5.176 7.302 1.00 1.00 H new ATOM 0 HA SER A 22 6.620 -5.747 9.473 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.154 -4.060 9.430 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.366 -4.737 10.842 1.00 1.00 H new ATOM 0 HG SER A 22 10.166 -6.024 10.140 1.00 1.00 H new ATOM 435 N THR A 23 6.340 -3.041 7.911 1.00 1.00 N ATOM 436 CA THR A 23 5.639 -1.772 7.824 1.00 1.00 C ATOM 437 C THR A 23 4.152 -1.953 8.117 1.00 1.00 C ATOM 438 O THR A 23 3.505 -2.858 7.582 1.00 1.00 O ATOM 439 CB THR A 23 5.823 -1.137 6.429 1.00 1.00 C ATOM 440 OG1 THR A 23 7.214 -0.883 6.194 1.00 1.00 O ATOM 441 CG2 THR A 23 5.040 0.162 6.295 1.00 1.00 C ATOM 0 H THR A 23 6.661 -3.406 7.014 1.00 1.00 H new ATOM 0 HA THR A 23 6.067 -1.105 8.572 1.00 1.00 H new ATOM 0 HB THR A 23 5.440 -1.840 5.689 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.328 -0.482 5.307 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.195 0.579 5.300 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.979 -0.036 6.445 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.386 0.874 7.044 1.00 1.00 H new ATOM 449 N MET A 24 3.625 -1.114 8.995 1.00 1.00 N ATOM 450 CA MET A 24 2.201 -1.109 9.280 1.00 1.00 C ATOM 451 C MET A 24 1.462 -0.276 8.242 1.00 1.00 C ATOM 452 O MET A 24 2.053 0.585 7.593 1.00 1.00 O ATOM 453 CB MET A 24 1.940 -0.585 10.692 1.00 1.00 C ATOM 454 CG MET A 24 2.211 -1.620 11.771 1.00 1.00 C ATOM 455 SD MET A 24 2.154 -0.940 13.438 1.00 1.00 S ATOM 456 CE MET A 24 3.661 0.031 13.455 1.00 1.00 C ATOM 0 H MET A 24 4.164 -0.427 9.523 1.00 1.00 H new ATOM 0 HA MET A 24 1.827 -2.131 9.227 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.566 0.289 10.870 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.904 -0.255 10.765 1.00 1.00 H new ATOM 0 HG2 MET A 24 1.478 -2.422 11.688 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.191 -2.065 11.600 1.00 1.00 H new ATOM 0 HE1 MET A 24 4.376 -0.418 14.145 1.00 1.00 H new ATOM 0 HE2 MET A 24 4.090 0.055 12.453 1.00 1.00 H new ATOM 0 HE3 MET A 24 3.435 1.047 13.778 1.00 1.00 H new ATOM 466 N VAL A 25 0.175 -0.532 8.092 1.00 1.00 N ATOM 467 CA VAL A 25 -0.607 0.079 7.028 1.00 1.00 C ATOM 468 C VAL A 25 -0.685 1.600 7.165 1.00 1.00 C ATOM 469 O VAL A 25 -0.598 2.310 6.166 1.00 1.00 O ATOM 470 CB VAL A 25 -2.021 -0.522 6.963 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.851 0.148 5.878 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.937 -2.022 6.724 1.00 1.00 C ATOM 0 H VAL A 25 -0.354 -1.161 8.695 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.088 -0.141 6.095 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.516 -0.343 7.918 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.846 -0.297 5.854 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -2.935 1.214 6.090 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.368 0.007 4.911 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.943 -2.440 6.679 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.423 -2.212 5.782 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.385 -2.490 7.539 1.00 1.00 H new ATOM 482 N TYR A 26 -0.826 2.106 8.389 1.00 1.00 N ATOM 483 CA TYR A 26 -0.883 3.557 8.598 1.00 1.00 C ATOM 484 C TYR A 26 0.440 4.198 8.186 1.00 1.00 C ATOM 485 O TYR A 26 0.488 5.356 7.775 1.00 1.00 O ATOM 486 CB TYR A 26 -1.211 3.899 10.062 1.00 1.00 C ATOM 487 CG TYR A 26 -0.038 3.829 11.019 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.451 2.612 11.469 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.574 4.991 11.477 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.517 2.551 12.345 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.639 4.939 12.353 1.00 1.00 C ATOM 492 CZ TYR A 26 2.107 3.718 12.785 1.00 1.00 C ATOM 493 OH TYR A 26 3.174 3.662 13.657 1.00 1.00 O ATOM 0 H TYR A 26 -0.902 1.547 9.239 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.683 3.958 7.975 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.630 4.905 10.098 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -1.987 3.218 10.413 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.010 1.696 11.129 1.00 1.00 H new ATOM 0 HD2 TYR A 26 0.209 5.951 11.141 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.887 1.595 12.684 1.00 1.00 H new ATOM 0 HE2 TYR A 26 2.103 5.851 12.698 1.00 1.00 H new ATOM 0 HH TYR A 26 3.473 4.571 13.867 1.00 1.00 H new ATOM 503 N ASP A 27 1.501 3.412 8.274 1.00 1.00 N ATOM 504 CA ASP A 27 2.838 3.872 7.915 1.00 1.00 C ATOM 505 C ASP A 27 2.985 3.870 6.399 1.00 1.00 C ATOM 506 O ASP A 27 3.529 4.803 5.807 1.00 1.00 O ATOM 507 CB ASP A 27 3.890 2.961 8.557 1.00 1.00 C ATOM 508 CG ASP A 27 5.303 3.497 8.433 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.742 4.235 9.339 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.989 3.167 7.449 1.00 1.00 O ATOM 0 H ASP A 27 1.464 2.444 8.593 1.00 1.00 H new ATOM 0 HA ASP A 27 2.987 4.887 8.283 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.650 2.828 9.612 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.840 1.976 8.092 1.00 1.00 H new ATOM 515 N ALA A 28 2.456 2.822 5.776 1.00 1.00 N ATOM 516 CA ALA A 28 2.472 2.688 4.325 1.00 1.00 C ATOM 517 C ALA A 28 1.599 3.755 3.664 1.00 1.00 C ATOM 518 O ALA A 28 1.942 4.280 2.604 1.00 1.00 O ATOM 519 CB ALA A 28 2.008 1.295 3.925 1.00 1.00 C ATOM 0 H ALA A 28 2.006 2.045 6.261 1.00 1.00 H new ATOM 0 HA ALA A 28 3.495 2.833 3.978 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.023 1.204 2.839 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.674 0.550 4.361 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.994 1.131 4.289 1.00 1.00 H new ATOM 525 N CYS A 29 0.475 4.076 4.298 1.00 1.00 N ATOM 526 CA CYS A 29 -0.411 5.124 3.803 1.00 1.00 C ATOM 527 C CYS A 29 0.304 6.471 3.808 1.00 1.00 C ATOM 528 O CYS A 29 0.067 7.322 2.945 1.00 1.00 O ATOM 529 CB CYS A 29 -1.685 5.202 4.647 1.00 1.00 C ATOM 530 SG CYS A 29 -2.680 3.694 4.621 1.00 1.00 S ATOM 0 H CYS A 29 0.156 3.625 5.156 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.690 4.877 2.779 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.412 5.427 5.678 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.294 6.033 4.290 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.986 2.708 5.105 1.00 1.00 H new ATOM 536 N ARG A 30 1.188 6.655 4.781 1.00 1.00 N ATOM 537 CA ARG A 30 1.995 7.860 4.855 1.00 1.00 C ATOM 538 C ARG A 30 2.994 7.884 3.706 1.00 1.00 C ATOM 539 O ARG A 30 3.196 8.917 3.072 1.00 1.00 O ATOM 540 CB ARG A 30 2.745 7.929 6.185 1.00 1.00 C ATOM 541 CG ARG A 30 3.489 9.240 6.392 1.00 1.00 C ATOM 542 CD ARG A 30 4.604 9.095 7.412 1.00 1.00 C ATOM 543 NE ARG A 30 4.128 8.552 8.679 1.00 1.00 N ATOM 544 CZ ARG A 30 4.598 7.433 9.226 1.00 1.00 C ATOM 545 NH1 ARG A 30 5.555 6.743 8.615 1.00 1.00 N ATOM 546 NH2 ARG A 30 4.109 7.004 10.380 1.00 1.00 N ATOM 0 H ARG A 30 1.362 5.983 5.529 1.00 1.00 H new ATOM 0 HA ARG A 30 1.332 8.722 4.782 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.036 7.789 7.001 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.456 7.104 6.236 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.905 9.577 5.443 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.790 10.008 6.723 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.380 8.444 7.009 1.00 1.00 H new ATOM 0 HD3 ARG A 30 5.063 10.068 7.586 1.00 1.00 H new ATOM 0 HE ARG A 30 3.394 9.058 9.174 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.931 7.070 7.725 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.914 5.886 9.036 1.00 1.00 H new ATOM 0 HH21 ARG A 30 3.372 7.531 10.849 1.00 1.00 H new ATOM 0 HH22 ARG A 30 4.469 6.147 10.799 1.00 1.00 H new ATOM 560 N MET A 31 3.593 6.725 3.429 1.00 1.00 N ATOM 561 CA MET A 31 4.614 6.606 2.391 1.00 1.00 C ATOM 562 C MET A 31 4.117 7.149 1.063 1.00 1.00 C ATOM 563 O MET A 31 4.817 7.916 0.399 1.00 1.00 O ATOM 564 CB MET A 31 5.055 5.152 2.209 1.00 1.00 C ATOM 565 CG MET A 31 5.856 4.598 3.373 1.00 1.00 C ATOM 566 SD MET A 31 6.487 2.941 3.039 1.00 1.00 S ATOM 567 CE MET A 31 7.402 2.620 4.543 1.00 1.00 C ATOM 0 H MET A 31 3.386 5.851 3.913 1.00 1.00 H new ATOM 0 HA MET A 31 5.469 7.198 2.719 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.171 4.531 2.062 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.653 5.076 1.301 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.690 5.266 3.588 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.229 4.573 4.264 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.196 1.901 4.340 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.839 3.549 4.908 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.729 2.214 5.298 1.00 1.00 H new ATOM 577 N ILE A 32 2.908 6.761 0.683 1.00 1.00 N ATOM 578 CA ILE A 32 2.336 7.206 -0.577 1.00 1.00 C ATOM 579 C ILE A 32 2.157 8.722 -0.596 1.00 1.00 C ATOM 580 O ILE A 32 2.530 9.374 -1.563 1.00 1.00 O ATOM 581 CB ILE A 32 0.985 6.509 -0.885 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.207 5.015 -1.135 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.305 7.156 -2.083 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.081 4.730 -2.336 1.00 1.00 C ATOM 0 H ILE A 32 2.307 6.142 1.227 1.00 1.00 H new ATOM 0 HA ILE A 32 3.043 6.924 -1.357 1.00 1.00 H new ATOM 0 HB ILE A 32 0.331 6.626 -0.021 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.662 4.570 -0.250 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.241 4.530 -1.275 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.641 6.651 -2.281 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.117 8.208 -1.870 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.951 7.072 -2.957 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.197 3.653 -2.454 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.617 5.146 -3.230 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.060 5.186 -2.190 1.00 1.00 H new ATOM 596 N ARG A 33 1.623 9.283 0.482 1.00 1.00 N ATOM 597 CA ARG A 33 1.318 10.707 0.512 1.00 1.00 C ATOM 598 C ARG A 33 2.591 11.559 0.618 1.00 1.00 C ATOM 599 O ARG A 33 2.623 12.694 0.146 1.00 1.00 O ATOM 600 CB ARG A 33 0.347 11.033 1.655 1.00 1.00 C ATOM 601 CG ARG A 33 1.003 11.292 3.003 1.00 1.00 C ATOM 602 CD ARG A 33 -0.018 11.770 4.020 1.00 1.00 C ATOM 603 NE ARG A 33 0.599 12.219 5.266 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.049 12.905 6.209 1.00 1.00 C ATOM 605 NH1 ARG A 33 -1.317 13.256 6.031 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.581 13.258 7.321 1.00 1.00 N ATOM 0 H ARG A 33 1.394 8.779 1.339 1.00 1.00 H new ATOM 0 HA ARG A 33 0.835 10.957 -0.432 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -0.236 11.911 1.377 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.355 10.206 1.762 1.00 1.00 H new ATOM 0 HG2 ARG A 33 1.479 10.379 3.361 1.00 1.00 H new ATOM 0 HG3 ARG A 33 1.789 12.039 2.892 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.598 12.587 3.591 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.717 10.962 4.235 1.00 1.00 H new ATOM 0 HE ARG A 33 1.582 11.995 5.424 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -1.801 13.001 5.170 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -1.808 13.780 6.755 1.00 1.00 H new ATOM 0 HH21 ARG A 33 1.560 13.005 7.455 1.00 1.00 H new ATOM 0 HH22 ARG A 33 0.087 13.783 8.043 1.00 1.00 H new ATOM 620 N GLU A 34 3.630 11.016 1.245 1.00 1.00 N ATOM 621 CA GLU A 34 4.887 11.745 1.412 1.00 1.00 C ATOM 622 C GLU A 34 5.724 11.692 0.138 1.00 1.00 C ATOM 623 O GLU A 34 6.405 12.657 -0.214 1.00 1.00 O ATOM 624 CB GLU A 34 5.696 11.165 2.574 1.00 1.00 C ATOM 625 CG GLU A 34 5.018 11.287 3.929 1.00 1.00 C ATOM 626 CD GLU A 34 4.903 12.717 4.408 1.00 1.00 C ATOM 627 OE1 GLU A 34 5.882 13.234 4.985 1.00 1.00 O ATOM 628 OE2 GLU A 34 3.825 13.319 4.241 1.00 1.00 O ATOM 0 H GLU A 34 3.629 10.078 1.645 1.00 1.00 H new ATOM 0 HA GLU A 34 4.639 12.784 1.628 1.00 1.00 H new ATOM 0 HB2 GLU A 34 5.895 10.112 2.373 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.661 11.669 2.617 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.022 10.848 3.871 1.00 1.00 H new ATOM 0 HG3 GLU A 34 5.579 10.708 4.663 1.00 1.00 H new ATOM 635 N ARG A 35 5.675 10.558 -0.546 1.00 1.00 N ATOM 636 CA ARG A 35 6.471 10.357 -1.747 1.00 1.00 C ATOM 637 C ARG A 35 5.738 10.869 -2.980 1.00 1.00 C ATOM 638 O ARG A 35 6.335 11.498 -3.855 1.00 1.00 O ATOM 639 CB ARG A 35 6.813 8.869 -1.906 1.00 1.00 C ATOM 640 CG ARG A 35 7.582 8.532 -3.178 1.00 1.00 C ATOM 641 CD ARG A 35 8.826 9.392 -3.329 1.00 1.00 C ATOM 642 NE ARG A 35 9.704 9.308 -2.166 1.00 1.00 N ATOM 643 CZ ARG A 35 10.345 10.349 -1.642 1.00 1.00 C ATOM 644 NH1 ARG A 35 10.215 11.555 -2.183 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.117 10.178 -0.578 1.00 1.00 N ATOM 0 H ARG A 35 5.091 9.762 -0.289 1.00 1.00 H new ATOM 0 HA ARG A 35 7.396 10.925 -1.646 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.401 8.550 -1.045 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.888 8.293 -1.892 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.867 7.480 -3.163 1.00 1.00 H new ATOM 0 HG3 ARG A 35 6.934 8.674 -4.043 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.374 9.081 -4.218 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.531 10.430 -3.484 1.00 1.00 H new ATOM 0 HE ARG A 35 9.834 8.396 -1.729 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.622 11.685 -3.003 1.00 1.00 H new ATOM 0 HH12 ARG A 35 10.708 12.351 -1.779 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.218 9.251 -0.165 1.00 1.00 H new ATOM 0 HH22 ARG A 35 11.610 10.973 -0.173 1.00 1.00 H new ATOM 659 N ILE A 36 4.446 10.607 -3.039 1.00 1.00 N ATOM 660 CA ILE A 36 3.645 10.980 -4.188 1.00 1.00 C ATOM 661 C ILE A 36 2.607 12.024 -3.792 1.00 1.00 C ATOM 662 O ILE A 36 1.702 11.744 -3.006 1.00 1.00 O ATOM 663 CB ILE A 36 2.925 9.751 -4.785 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.907 8.590 -4.961 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.288 10.109 -6.120 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.244 7.293 -5.371 1.00 1.00 C ATOM 0 H ILE A 36 3.927 10.134 -2.299 1.00 1.00 H new ATOM 0 HA ILE A 36 4.316 11.396 -4.940 1.00 1.00 H new ATOM 0 HB ILE A 36 2.140 9.441 -4.095 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.648 8.863 -5.712 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.444 8.434 -4.025 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.784 9.233 -6.529 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.563 10.910 -5.974 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.060 10.441 -6.814 1.00 1.00 H new ATOM 0 HD11 ILE A 36 4.000 6.515 -5.477 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.523 6.996 -4.609 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.731 7.432 -6.322 1.00 1.00 H new ATOM 678 N PRO A 37 2.706 13.240 -4.350 1.00 1.00 N ATOM 679 CA PRO A 37 1.783 14.335 -4.031 1.00 1.00 C ATOM 680 C PRO A 37 0.431 14.100 -4.680 1.00 1.00 C ATOM 681 O PRO A 37 -0.576 14.713 -4.322 1.00 1.00 O ATOM 682 CB PRO A 37 2.467 15.539 -4.670 1.00 1.00 C ATOM 683 CG PRO A 37 3.108 14.944 -5.868 1.00 1.00 C ATOM 684 CD PRO A 37 3.694 13.652 -5.368 1.00 1.00 C ATOM 0 HA PRO A 37 1.595 14.447 -2.963 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.752 16.318 -4.936 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.198 15.993 -4.001 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.383 14.771 -6.663 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.878 15.600 -6.275 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.792 12.914 -6.164 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.686 13.793 -4.940 1.00 1.00 H new ATOM 692 N GLU A 38 0.433 13.185 -5.638 1.00 1.00 N ATOM 693 CA GLU A 38 -0.739 12.880 -6.421 1.00 1.00 C ATOM 694 C GLU A 38 -1.848 12.320 -5.530 1.00 1.00 C ATOM 695 O GLU A 38 -3.030 12.576 -5.751 1.00 1.00 O ATOM 696 CB GLU A 38 -0.369 11.889 -7.532 1.00 1.00 C ATOM 697 CG GLU A 38 -1.525 11.494 -8.435 1.00 1.00 C ATOM 698 CD GLU A 38 -1.069 10.687 -9.635 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.675 9.516 -9.458 1.00 1.00 O ATOM 700 OE2 GLU A 38 -1.102 11.227 -10.764 1.00 1.00 O ATOM 0 H GLU A 38 1.254 12.635 -5.889 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.114 13.795 -6.880 1.00 1.00 H new ATOM 0 HB2 GLU A 38 0.420 12.326 -8.144 1.00 1.00 H new ATOM 0 HB3 GLU A 38 0.043 10.989 -7.076 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -2.248 10.913 -7.863 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -2.038 12.392 -8.778 1.00 1.00 H new ATOM 707 N ALA A 39 -1.452 11.578 -4.499 1.00 1.00 N ATOM 708 CA ALA A 39 -2.405 10.971 -3.580 1.00 1.00 C ATOM 709 C ALA A 39 -2.915 11.971 -2.545 1.00 1.00 C ATOM 710 O ALA A 39 -3.857 11.684 -1.806 1.00 1.00 O ATOM 711 CB ALA A 39 -1.765 9.787 -2.884 1.00 1.00 C ATOM 0 H ALA A 39 -0.475 11.384 -4.281 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.262 10.636 -4.164 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.482 9.337 -2.198 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.461 9.049 -3.627 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.890 10.122 -2.326 1.00 1.00 H new ATOM 717 N LEU A 40 -2.295 13.141 -2.493 1.00 1.00 N ATOM 718 CA LEU A 40 -2.668 14.156 -1.519 1.00 1.00 C ATOM 719 C LEU A 40 -3.967 14.847 -1.915 1.00 1.00 C ATOM 720 O LEU A 40 -3.963 15.843 -2.640 1.00 1.00 O ATOM 721 CB LEU A 40 -1.543 15.179 -1.351 1.00 1.00 C ATOM 722 CG LEU A 40 -0.314 14.656 -0.605 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.834 15.647 -0.687 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.667 14.379 0.845 1.00 1.00 C ATOM 0 H LEU A 40 -1.532 13.411 -3.114 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.831 13.660 -0.562 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.233 15.525 -2.337 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.934 16.046 -0.818 1.00 1.00 H new ATOM 0 HG LEU A 40 0.006 13.728 -1.078 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.695 15.251 -0.149 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.101 15.808 -1.731 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.530 16.593 -0.240 1.00 1.00 H new ATOM 0 HD21 LEU A 40 0.213 14.007 1.369 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -1.009 15.299 1.318 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -1.459 13.632 0.890 1.00 1.00 H new ATOM 736 N ALA A 41 -5.075 14.288 -1.455 1.00 1.00 N ATOM 737 CA ALA A 41 -6.391 14.853 -1.708 1.00 1.00 C ATOM 738 C ALA A 41 -7.276 14.696 -0.478 1.00 1.00 C ATOM 739 O ALA A 41 -8.501 14.805 -0.557 1.00 1.00 O ATOM 740 CB ALA A 41 -7.030 14.177 -2.912 1.00 1.00 C ATOM 0 H ALA A 41 -5.088 13.434 -0.898 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.282 15.916 -1.924 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -8.015 14.608 -3.091 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.402 14.328 -3.790 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -7.132 13.109 -2.718 1.00 1.00 H new ATOM 746 N GLY A 42 -6.642 14.457 0.661 1.00 1.00 N ATOM 747 CA GLY A 42 -7.370 14.228 1.887 1.00 1.00 C ATOM 748 C GLY A 42 -6.523 13.509 2.918 1.00 1.00 C ATOM 749 O GLY A 42 -5.366 13.184 2.647 1.00 1.00 O ATOM 0 H GLY A 42 -5.627 14.418 0.755 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.706 15.182 2.294 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.263 13.639 1.675 1.00 1.00 H new ATOM 753 N PRO A 43 -7.073 13.247 4.111 1.00 1.00 N ATOM 754 CA PRO A 43 -6.344 12.584 5.190 1.00 1.00 C ATOM 755 C PRO A 43 -6.292 11.081 5.028 1.00 1.00 C ATOM 756 O PRO A 43 -7.215 10.459 4.493 1.00 1.00 O ATOM 757 CB PRO A 43 -7.134 12.982 6.433 1.00 1.00 C ATOM 758 CG PRO A 43 -8.538 13.150 5.953 1.00 1.00 C ATOM 759 CD PRO A 43 -8.455 13.581 4.508 1.00 1.00 C ATOM 0 HA PRO A 43 -5.296 12.882 5.223 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.069 12.216 7.206 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -6.751 13.906 6.867 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.093 12.217 6.047 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -9.064 13.895 6.549 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.185 13.055 3.893 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -8.655 14.647 4.398 1.00 1.00 H new ATOM 767 N PRO A 44 -5.204 10.475 5.519 1.00 1.00 N ATOM 768 CA PRO A 44 -4.901 9.081 5.257 1.00 1.00 C ATOM 769 C PRO A 44 -5.865 8.121 5.952 1.00 1.00 C ATOM 770 O PRO A 44 -5.907 6.935 5.638 1.00 1.00 O ATOM 771 CB PRO A 44 -3.474 8.891 5.796 1.00 1.00 C ATOM 772 CG PRO A 44 -2.969 10.264 6.089 1.00 1.00 C ATOM 773 CD PRO A 44 -4.180 11.104 6.363 1.00 1.00 C ATOM 0 HA PRO A 44 -4.996 8.856 4.195 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.473 8.273 6.694 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.842 8.389 5.063 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.297 10.257 6.948 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.404 10.659 5.245 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.456 11.085 7.417 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.018 12.148 6.094 1.00 1.00 H new ATOM 781 N ASN A 45 -6.639 8.641 6.897 1.00 1.00 N ATOM 782 CA ASN A 45 -7.604 7.826 7.625 1.00 1.00 C ATOM 783 C ASN A 45 -8.947 7.811 6.903 1.00 1.00 C ATOM 784 O ASN A 45 -9.809 6.974 7.185 1.00 1.00 O ATOM 785 CB ASN A 45 -7.784 8.330 9.061 1.00 1.00 C ATOM 786 CG ASN A 45 -8.378 9.726 9.137 1.00 1.00 C ATOM 787 OD1 ASN A 45 -8.133 10.569 8.274 1.00 1.00 O ATOM 788 ND2 ASN A 45 -9.170 9.973 10.166 1.00 1.00 N ATOM 0 H ASN A 45 -6.617 9.622 7.177 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.214 6.809 7.666 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -8.428 7.638 9.604 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -6.817 8.326 9.564 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -9.604 10.890 10.267 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -9.347 9.246 10.859 1.00 1.00 H new ATOM 795 N ASP A 46 -9.131 8.747 5.980 1.00 1.00 N ATOM 796 CA ASP A 46 -10.333 8.768 5.160 1.00 1.00 C ATOM 797 C ASP A 46 -10.039 8.091 3.832 1.00 1.00 C ATOM 798 O ASP A 46 -10.941 7.651 3.116 1.00 1.00 O ATOM 799 CB ASP A 46 -10.832 10.195 4.945 1.00 1.00 C ATOM 800 CG ASP A 46 -12.265 10.220 4.461 1.00 1.00 C ATOM 801 OD1 ASP A 46 -13.112 9.543 5.083 1.00 1.00 O ATOM 802 OD2 ASP A 46 -12.553 10.907 3.464 1.00 1.00 O ATOM 0 H ASP A 46 -8.468 9.496 5.782 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.125 8.225 5.676 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.753 10.752 5.878 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.194 10.698 4.219 1.00 1.00 H new ATOM 807 N PHE A 47 -8.757 8.028 3.513 1.00 1.00 N ATOM 808 CA PHE A 47 -8.267 7.189 2.434 1.00 1.00 C ATOM 809 C PHE A 47 -7.870 5.839 3.018 1.00 1.00 C ATOM 810 O PHE A 47 -8.121 5.578 4.193 1.00 1.00 O ATOM 811 CB PHE A 47 -7.067 7.845 1.740 1.00 1.00 C ATOM 812 CG PHE A 47 -7.433 8.982 0.824 1.00 1.00 C ATOM 813 CD1 PHE A 47 -8.027 10.134 1.316 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.185 8.891 -0.537 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.365 11.173 0.469 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.521 9.927 -1.388 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.111 11.070 -0.885 1.00 1.00 C ATOM 0 H PHE A 47 -8.029 8.556 3.994 1.00 1.00 H new ATOM 0 HA PHE A 47 -9.049 7.057 1.687 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.378 8.212 2.500 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.534 7.087 1.166 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.228 10.221 2.374 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.724 8.000 -0.937 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.827 12.065 0.866 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.322 9.843 -2.446 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.373 11.881 -1.548 1.00 1.00 H new ATOM 827 N GLY A 48 -7.277 4.981 2.215 1.00 1.00 N ATOM 828 CA GLY A 48 -6.830 3.708 2.729 1.00 1.00 C ATOM 829 C GLY A 48 -6.181 2.849 1.671 1.00 1.00 C ATOM 830 O GLY A 48 -6.188 3.192 0.486 1.00 1.00 O ATOM 0 H GLY A 48 -7.097 5.138 1.223 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.121 3.877 3.540 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.680 3.174 3.154 1.00 1.00 H new ATOM 834 N LEU A 49 -5.617 1.734 2.104 1.00 1.00 N ATOM 835 CA LEU A 49 -5.013 0.775 1.199 1.00 1.00 C ATOM 836 C LEU A 49 -5.968 -0.384 0.955 1.00 1.00 C ATOM 837 O LEU A 49 -6.333 -1.108 1.880 1.00 1.00 O ATOM 838 CB LEU A 49 -3.691 0.259 1.774 1.00 1.00 C ATOM 839 CG LEU A 49 -2.558 1.287 1.812 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.378 0.752 2.605 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.122 1.644 0.400 1.00 1.00 C ATOM 0 H LEU A 49 -5.566 1.470 3.088 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.809 1.270 0.250 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.869 -0.101 2.787 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.365 -0.597 1.184 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.927 2.187 2.304 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.582 1.497 2.621 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.693 0.536 3.626 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.010 -0.162 2.138 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.316 2.376 0.442 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.771 0.747 -0.110 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.966 2.065 -0.146 1.00 1.00 H new ATOM 853 N PHE A 50 -6.379 -0.542 -0.287 1.00 1.00 N ATOM 854 CA PHE A 50 -7.306 -1.597 -0.655 1.00 1.00 C ATOM 855 C PHE A 50 -6.566 -2.726 -1.366 1.00 1.00 C ATOM 856 O PHE A 50 -5.958 -2.516 -2.415 1.00 1.00 O ATOM 857 CB PHE A 50 -8.412 -1.033 -1.553 1.00 1.00 C ATOM 858 CG PHE A 50 -9.401 -2.061 -2.020 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.422 -2.491 -1.189 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.308 -2.598 -3.293 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.330 -3.439 -1.620 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.212 -3.545 -3.729 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.224 -3.966 -2.893 1.00 1.00 C ATOM 0 H PHE A 50 -6.084 0.050 -1.064 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.761 -1.999 0.250 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.944 -0.252 -1.010 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.955 -0.562 -2.423 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.509 -2.081 -0.194 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.518 -2.271 -3.953 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.122 -3.768 -0.963 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.127 -3.956 -4.724 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.933 -4.707 -3.232 1.00 1.00 H new ATOM 873 N LEU A 51 -6.612 -3.912 -0.784 1.00 1.00 N ATOM 874 CA LEU A 51 -5.984 -5.081 -1.380 1.00 1.00 C ATOM 875 C LEU A 51 -6.819 -5.545 -2.565 1.00 1.00 C ATOM 876 O LEU A 51 -7.986 -5.904 -2.404 1.00 1.00 O ATOM 877 CB LEU A 51 -5.842 -6.194 -0.328 1.00 1.00 C ATOM 878 CG LEU A 51 -5.023 -7.422 -0.746 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.397 -8.076 0.475 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.892 -8.432 -1.481 1.00 1.00 C ATOM 0 H LEU A 51 -7.080 -4.092 0.104 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.985 -4.828 -1.735 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.386 -5.766 0.564 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.840 -6.528 -0.046 1.00 1.00 H new ATOM 0 HG LEU A 51 -4.234 -7.088 -1.420 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.818 -8.946 0.165 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.741 -7.363 0.974 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.182 -8.389 1.163 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.287 -9.293 -1.766 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.702 -8.758 -0.829 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.310 -7.970 -2.375 1.00 1.00 H new ATOM 892 N SER A 52 -6.230 -5.514 -3.750 1.00 1.00 N ATOM 893 CA SER A 52 -6.960 -5.846 -4.963 1.00 1.00 C ATOM 894 C SER A 52 -6.996 -7.351 -5.186 1.00 1.00 C ATOM 895 O SER A 52 -6.003 -8.049 -4.974 1.00 1.00 O ATOM 896 CB SER A 52 -6.325 -5.144 -6.162 1.00 1.00 C ATOM 897 OG SER A 52 -6.299 -3.741 -5.960 1.00 1.00 O ATOM 0 H SER A 52 -5.252 -5.263 -3.898 1.00 1.00 H new ATOM 0 HA SER A 52 -7.988 -5.500 -4.851 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.311 -5.514 -6.313 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.887 -5.377 -7.067 1.00 1.00 H new ATOM 0 HG SER A 52 -5.888 -3.306 -6.736 1.00 1.00 H new ATOM 903 N ASP A 53 -8.152 -7.837 -5.604 1.00 1.00 N ATOM 904 CA ASP A 53 -8.352 -9.251 -5.868 1.00 1.00 C ATOM 905 C ASP A 53 -9.230 -9.417 -7.108 1.00 1.00 C ATOM 906 O ASP A 53 -9.785 -8.437 -7.614 1.00 1.00 O ATOM 907 CB ASP A 53 -8.998 -9.920 -4.644 1.00 1.00 C ATOM 908 CG ASP A 53 -9.226 -11.407 -4.825 1.00 1.00 C ATOM 909 OD1 ASP A 53 -8.263 -12.187 -4.675 1.00 1.00 O ATOM 910 OD2 ASP A 53 -10.365 -11.803 -5.135 1.00 1.00 O ATOM 0 H ASP A 53 -8.978 -7.262 -5.770 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.392 -9.732 -6.055 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.362 -9.760 -3.773 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.952 -9.436 -4.435 1.00 1.00 H new ATOM 915 N ASP A 54 -9.339 -10.640 -7.607 1.00 1.00 N ATOM 916 CA ASP A 54 -10.192 -10.932 -8.755 1.00 1.00 C ATOM 917 C ASP A 54 -11.655 -10.722 -8.388 1.00 1.00 C ATOM 918 O ASP A 54 -12.496 -10.461 -9.249 1.00 1.00 O ATOM 919 CB ASP A 54 -9.993 -12.376 -9.225 1.00 1.00 C ATOM 920 CG ASP A 54 -8.557 -12.687 -9.582 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.163 -12.451 -10.742 1.00 1.00 O ATOM 922 OD2 ASP A 54 -7.817 -13.182 -8.704 1.00 1.00 O ATOM 0 H ASP A 54 -8.846 -11.451 -7.234 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.916 -10.254 -9.563 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.322 -13.057 -8.440 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.626 -12.561 -10.093 1.00 1.00 H new ATOM 927 N ASP A 55 -11.948 -10.850 -7.104 1.00 1.00 N ATOM 928 CA ASP A 55 -13.302 -10.694 -6.600 1.00 1.00 C ATOM 929 C ASP A 55 -13.365 -9.550 -5.588 1.00 1.00 C ATOM 930 O ASP A 55 -12.579 -9.506 -4.640 1.00 1.00 O ATOM 931 CB ASP A 55 -13.767 -12.001 -5.958 1.00 1.00 C ATOM 932 CG ASP A 55 -15.149 -11.894 -5.360 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.139 -12.102 -6.090 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.253 -11.605 -4.156 1.00 1.00 O ATOM 0 H ASP A 55 -11.257 -11.064 -6.385 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.965 -10.452 -7.431 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.760 -12.792 -6.707 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -13.060 -12.291 -5.181 1.00 1.00 H new ATOM 939 N PRO A 56 -14.309 -8.612 -5.776 1.00 1.00 N ATOM 940 CA PRO A 56 -14.424 -7.406 -4.939 1.00 1.00 C ATOM 941 C PRO A 56 -14.838 -7.700 -3.496 1.00 1.00 C ATOM 942 O PRO A 56 -14.717 -6.838 -2.622 1.00 1.00 O ATOM 943 CB PRO A 56 -15.506 -6.584 -5.643 1.00 1.00 C ATOM 944 CG PRO A 56 -16.307 -7.580 -6.405 1.00 1.00 C ATOM 945 CD PRO A 56 -15.340 -8.647 -6.830 1.00 1.00 C ATOM 0 HA PRO A 56 -13.463 -6.900 -4.848 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.124 -6.046 -4.924 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -15.067 -5.839 -6.306 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -17.102 -7.997 -5.787 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.784 -7.118 -7.269 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.820 -9.624 -6.890 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.917 -8.438 -7.813 1.00 1.00 H new ATOM 953 N LYS A 57 -15.322 -8.910 -3.245 1.00 1.00 N ATOM 954 CA LYS A 57 -15.729 -9.294 -1.902 1.00 1.00 C ATOM 955 C LYS A 57 -14.537 -9.859 -1.137 1.00 1.00 C ATOM 956 O LYS A 57 -14.505 -9.838 0.095 1.00 1.00 O ATOM 957 CB LYS A 57 -16.866 -10.321 -1.958 1.00 1.00 C ATOM 958 CG LYS A 57 -17.516 -10.603 -0.612 1.00 1.00 C ATOM 959 CD LYS A 57 -18.134 -9.346 -0.023 1.00 1.00 C ATOM 960 CE LYS A 57 -18.841 -9.628 1.290 1.00 1.00 C ATOM 961 NZ LYS A 57 -19.370 -8.382 1.903 1.00 1.00 N ATOM 0 H LYS A 57 -15.441 -9.637 -3.950 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.093 -8.409 -1.380 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.629 -9.965 -2.650 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.478 -11.255 -2.365 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.284 -11.368 -0.730 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.772 -11.002 0.077 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.357 -8.599 0.136 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.843 -8.922 -0.734 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.660 -10.327 1.121 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.149 -10.109 1.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -19.847 -8.611 2.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.585 -7.725 2.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -20.049 -7.937 1.253 1.00 1.00 H new ATOM 975 N LYS A 58 -13.553 -10.366 -1.875 1.00 1.00 N ATOM 976 CA LYS A 58 -12.329 -10.861 -1.263 1.00 1.00 C ATOM 977 C LYS A 58 -11.325 -9.726 -1.120 1.00 1.00 C ATOM 978 O LYS A 58 -10.407 -9.796 -0.301 1.00 1.00 O ATOM 979 CB LYS A 58 -11.719 -12.009 -2.075 1.00 1.00 C ATOM 980 CG LYS A 58 -12.691 -13.143 -2.358 1.00 1.00 C ATOM 981 CD LYS A 58 -11.993 -14.497 -2.404 1.00 1.00 C ATOM 982 CE LYS A 58 -10.848 -14.534 -3.406 1.00 1.00 C ATOM 983 NZ LYS A 58 -11.297 -14.249 -4.795 1.00 1.00 N ATOM 0 H LYS A 58 -13.581 -10.444 -2.892 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.579 -11.249 -0.276 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.348 -11.616 -3.022 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.859 -12.406 -1.536 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -13.463 -13.159 -1.588 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -13.193 -12.961 -3.309 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -11.610 -14.738 -1.412 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.720 -15.267 -2.661 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -10.092 -13.805 -3.115 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -10.374 -15.515 -3.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -10.749 -14.829 -5.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -12.308 -14.477 -4.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -11.148 -13.242 -5.008 1.00 1.00 H new ATOM 997 N GLY A 59 -11.495 -8.690 -1.934 1.00 1.00 N ATOM 998 CA GLY A 59 -10.692 -7.492 -1.790 1.00 1.00 C ATOM 999 C GLY A 59 -11.003 -6.786 -0.487 1.00 1.00 C ATOM 1000 O GLY A 59 -12.165 -6.498 -0.198 1.00 1.00 O ATOM 0 H GLY A 59 -12.176 -8.660 -2.692 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.634 -7.752 -1.824 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.882 -6.820 -2.627 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.978 -6.511 0.303 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.181 -5.983 1.647 1.00 1.00 C ATOM 1006 C ILE A 60 -9.379 -4.711 1.886 1.00 1.00 C ATOM 1007 O ILE A 60 -8.350 -4.477 1.249 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.793 -7.024 2.719 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.342 -7.481 2.519 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.744 -8.212 2.683 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.886 -8.521 3.520 1.00 1.00 C ATOM 0 H ILE A 60 -9.001 -6.643 0.041 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.243 -5.750 1.728 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.874 -6.557 3.700 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.234 -7.886 1.513 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.685 -6.614 2.585 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.453 -8.934 3.446 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.761 -7.870 2.876 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.700 -8.684 1.701 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.851 -8.794 3.315 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.961 -8.113 4.528 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.518 -9.406 3.439 1.00 1.00 H new ATOM 1023 N TRP A 61 -9.864 -3.894 2.809 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.162 -2.688 3.221 1.00 1.00 C ATOM 1025 C TRP A 61 -8.173 -3.012 4.331 1.00 1.00 C ATOM 1026 O TRP A 61 -8.556 -3.537 5.380 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.156 -1.636 3.710 1.00 1.00 C ATOM 1028 CG TRP A 61 -10.982 -1.038 2.624 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.214 -1.446 2.227 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.642 0.080 1.803 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.672 -0.649 1.208 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.722 0.299 0.928 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.530 0.918 1.725 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.721 1.328 -0.009 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.531 1.936 0.792 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.616 2.133 -0.060 1.00 1.00 C ATOM 0 H TRP A 61 -10.750 -4.047 3.291 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.620 -2.292 2.362 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -10.817 -2.090 4.448 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.609 -0.841 4.217 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.756 -2.278 2.652 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.571 -0.746 0.737 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.685 0.774 2.381 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.560 1.485 -0.670 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.675 2.591 0.721 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.584 2.940 -0.777 1.00 1.00 H new ATOM 1047 N LEU A 62 -6.906 -2.713 4.094 1.00 1.00 N ATOM 1048 CA LEU A 62 -5.868 -2.947 5.085 1.00 1.00 C ATOM 1049 C LEU A 62 -5.996 -1.942 6.222 1.00 1.00 C ATOM 1050 O LEU A 62 -5.922 -0.732 6.000 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.473 -2.851 4.454 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.083 -3.993 3.506 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.806 -3.879 2.174 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.576 -4.013 3.292 1.00 1.00 C ATOM 0 H LEU A 62 -6.571 -2.306 3.221 1.00 1.00 H new ATOM 0 HA LEU A 62 -5.995 -3.955 5.480 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.408 -1.912 3.905 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.736 -2.803 5.256 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.386 -4.931 3.971 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.507 -4.703 1.526 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.883 -3.920 2.340 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.547 -2.932 1.700 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.315 -4.828 2.617 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.258 -3.066 2.856 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.075 -4.159 4.249 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.202 -2.444 7.432 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.379 -1.588 8.598 1.00 1.00 C ATOM 1068 C GLU A 63 -5.073 -0.900 8.972 1.00 1.00 C ATOM 1069 O GLU A 63 -4.016 -1.525 8.972 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.891 -2.396 9.787 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.254 -3.020 9.565 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.759 -3.733 10.799 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.447 -4.928 10.972 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -9.464 -3.098 11.612 1.00 1.00 O ATOM 0 H GLU A 63 -6.251 -3.443 7.632 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.116 -0.827 8.341 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -6.174 -3.185 10.013 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.938 -1.747 10.662 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.965 -2.245 9.278 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.199 -3.725 8.736 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.168 0.379 9.314 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.003 1.207 9.620 1.00 1.00 C ATOM 1083 C ALA A 64 -3.134 0.596 10.719 1.00 1.00 C ATOM 1084 O ALA A 64 -1.905 0.659 10.650 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.463 2.599 10.023 1.00 1.00 C ATOM 0 H ALA A 64 -6.056 0.875 9.388 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.388 1.266 8.722 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.595 3.217 10.251 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.023 3.049 9.203 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.101 2.530 10.904 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.771 -0.006 11.715 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.039 -0.574 12.832 1.00 1.00 C ATOM 1093 C GLY A 65 -2.512 -1.970 12.552 1.00 1.00 C ATOM 1094 O GLY A 65 -1.905 -2.596 13.423 1.00 1.00 O ATOM 0 H GLY A 65 -4.784 -0.112 11.770 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.203 0.080 13.081 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.690 -0.606 13.706 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.751 -2.463 11.346 1.00 1.00 N ATOM 1099 CA LYS A 66 -2.274 -3.780 10.946 1.00 1.00 C ATOM 1100 C LYS A 66 -0.967 -3.653 10.175 1.00 1.00 C ATOM 1101 O LYS A 66 -0.617 -2.568 9.711 1.00 1.00 O ATOM 1102 CB LYS A 66 -3.327 -4.488 10.086 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.580 -4.889 10.850 1.00 1.00 C ATOM 1104 CD LYS A 66 -4.321 -6.080 11.755 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.515 -6.390 12.645 1.00 1.00 C ATOM 1106 NZ LYS A 66 -6.737 -6.740 11.870 1.00 1.00 N ATOM 0 H LYS A 66 -3.275 -1.969 10.624 1.00 1.00 H new ATOM 0 HA LYS A 66 -2.097 -4.374 11.842 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.610 -3.832 9.263 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.882 -5.380 9.645 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.929 -4.046 11.447 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -5.375 -5.132 10.145 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -4.086 -6.953 11.147 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.448 -5.880 12.376 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.262 -7.217 13.309 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.726 -5.527 13.276 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -7.355 -7.344 12.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -7.246 -5.870 11.613 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.466 -7.251 11.006 1.00 1.00 H new ATOM 1120 N ALA A 67 -0.242 -4.753 10.052 1.00 1.00 N ATOM 1121 CA ALA A 67 1.009 -4.758 9.310 1.00 1.00 C ATOM 1122 C ALA A 67 0.821 -5.384 7.934 1.00 1.00 C ATOM 1123 O ALA A 67 -0.089 -6.188 7.728 1.00 1.00 O ATOM 1124 CB ALA A 67 2.088 -5.498 10.086 1.00 1.00 C ATOM 0 H ALA A 67 -0.498 -5.654 10.456 1.00 1.00 H new ATOM 0 HA ALA A 67 1.326 -3.724 9.175 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.016 -5.491 9.515 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.248 -5.006 11.045 1.00 1.00 H new ATOM 0 HB3 ALA A 67 1.773 -6.528 10.255 1.00 1.00 H new ATOM 1130 N LEU A 68 1.686 -5.011 7.000 1.00 1.00 N ATOM 1131 CA LEU A 68 1.646 -5.550 5.645 1.00 1.00 C ATOM 1132 C LEU A 68 1.857 -7.060 5.652 1.00 1.00 C ATOM 1133 O LEU A 68 1.148 -7.798 4.968 1.00 1.00 O ATOM 1134 CB LEU A 68 2.722 -4.892 4.791 1.00 1.00 C ATOM 1135 CG LEU A 68 2.594 -3.381 4.635 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.733 -2.854 3.793 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.252 -3.011 4.018 1.00 1.00 C ATOM 0 H LEU A 68 2.430 -4.331 7.157 1.00 1.00 H new ATOM 0 HA LEU A 68 0.663 -5.337 5.225 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.696 -5.115 5.227 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.705 -5.346 3.800 1.00 1.00 H new ATOM 0 HG LEU A 68 2.644 -2.922 5.622 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.636 -1.774 3.685 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.681 -3.087 4.277 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.704 -3.321 2.809 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.184 -1.928 3.917 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.164 -3.474 3.035 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.446 -3.366 4.660 1.00 1.00 H new ATOM 1149 N ASP A 69 2.836 -7.502 6.439 1.00 1.00 N ATOM 1150 CA ASP A 69 3.151 -8.925 6.578 1.00 1.00 C ATOM 1151 C ASP A 69 1.910 -9.730 6.936 1.00 1.00 C ATOM 1152 O ASP A 69 1.690 -10.821 6.410 1.00 1.00 O ATOM 1153 CB ASP A 69 4.219 -9.114 7.660 1.00 1.00 C ATOM 1154 CG ASP A 69 4.491 -10.571 7.978 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.367 -11.174 7.323 1.00 1.00 O ATOM 1156 OD2 ASP A 69 3.847 -11.113 8.900 1.00 1.00 O ATOM 0 H ASP A 69 3.431 -6.889 6.996 1.00 1.00 H new ATOM 0 HA ASP A 69 3.528 -9.286 5.621 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.145 -8.640 7.335 1.00 1.00 H new ATOM 0 HB3 ASP A 69 3.901 -8.603 8.569 1.00 1.00 H new ATOM 1161 N TYR A 70 1.096 -9.165 7.817 1.00 1.00 N ATOM 1162 CA TYR A 70 -0.124 -9.807 8.289 1.00 1.00 C ATOM 1163 C TYR A 70 -1.062 -10.137 7.133 1.00 1.00 C ATOM 1164 O TYR A 70 -1.731 -11.170 7.130 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.832 -8.874 9.266 1.00 1.00 C ATOM 1166 CG TYR A 70 -2.091 -9.447 9.872 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.044 -10.537 10.733 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.327 -8.894 9.581 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.199 -11.058 11.286 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.483 -9.408 10.129 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.415 -10.488 10.980 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.570 -11.001 11.524 1.00 1.00 O ATOM 0 H TYR A 70 1.263 -8.246 8.226 1.00 1.00 H new ATOM 0 HA TYR A 70 0.146 -10.741 8.782 1.00 1.00 H new ATOM 0 HB2 TYR A 70 -0.141 -8.616 10.069 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.081 -7.947 8.749 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -1.091 -10.984 10.974 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.386 -8.047 8.914 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -3.148 -11.906 11.953 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.439 -8.965 9.891 1.00 1.00 H new ATOM 0 HH TYR A 70 -6.339 -10.483 11.207 1.00 1.00 H new ATOM 1182 N TYR A 71 -1.093 -9.256 6.148 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.999 -9.398 5.021 1.00 1.00 C ATOM 1184 C TYR A 71 -1.394 -10.269 3.926 1.00 1.00 C ATOM 1185 O TYR A 71 -2.075 -10.625 2.962 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.361 -8.020 4.475 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.388 -7.287 5.308 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.747 -7.474 5.094 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.998 -6.405 6.305 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.689 -6.803 5.851 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.932 -5.729 7.063 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.276 -5.932 6.834 1.00 1.00 C ATOM 1193 OH TYR A 71 -6.207 -5.252 7.587 1.00 1.00 O ATOM 0 H TYR A 71 -0.497 -8.429 6.106 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.905 -9.895 5.369 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.457 -7.414 4.413 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.741 -8.130 3.459 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.074 -8.156 4.323 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.946 -6.245 6.491 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.742 -6.961 5.672 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.611 -5.043 7.833 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.436 -5.781 8.380 1.00 1.00 H new ATOM 1203 N MET A 72 -0.119 -10.622 4.100 1.00 1.00 N ATOM 1204 CA MET A 72 0.605 -11.481 3.160 1.00 1.00 C ATOM 1205 C MET A 72 0.673 -10.851 1.771 1.00 1.00 C ATOM 1206 O MET A 72 -0.197 -11.078 0.927 1.00 1.00 O ATOM 1207 CB MET A 72 -0.037 -12.872 3.073 1.00 1.00 C ATOM 1208 CG MET A 72 -0.044 -13.638 4.387 1.00 1.00 C ATOM 1209 SD MET A 72 -0.804 -15.268 4.232 1.00 1.00 S ATOM 1210 CE MET A 72 -2.452 -14.824 3.689 1.00 1.00 C ATOM 0 H MET A 72 0.441 -10.320 4.897 1.00 1.00 H new ATOM 0 HA MET A 72 1.621 -11.589 3.540 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.063 -12.765 2.722 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.496 -13.460 2.325 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.980 -13.750 4.744 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.582 -13.060 5.138 1.00 1.00 H new ATOM 0 HE1 MET A 72 -3.138 -15.644 3.902 1.00 1.00 H new ATOM 0 HE2 MET A 72 -2.780 -13.929 4.218 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.441 -14.629 2.617 1.00 1.00 H new ATOM 1220 N LEU A 73 1.708 -10.061 1.538 1.00 1.00 N ATOM 1221 CA LEU A 73 1.868 -9.380 0.264 1.00 1.00 C ATOM 1222 C LEU A 73 3.030 -9.980 -0.513 1.00 1.00 C ATOM 1223 O LEU A 73 3.947 -10.563 0.072 1.00 1.00 O ATOM 1224 CB LEU A 73 2.100 -7.885 0.482 1.00 1.00 C ATOM 1225 CG LEU A 73 1.024 -7.166 1.299 1.00 1.00 C ATOM 1226 CD1 LEU A 73 1.365 -5.693 1.433 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.346 -7.339 0.660 1.00 1.00 C ATOM 0 H LEU A 73 2.449 -9.876 2.214 1.00 1.00 H new ATOM 0 HA LEU A 73 0.953 -9.511 -0.314 1.00 1.00 H new ATOM 0 HB2 LEU A 73 3.060 -7.753 0.981 1.00 1.00 H new ATOM 0 HB3 LEU A 73 2.177 -7.401 -0.491 1.00 1.00 H new ATOM 0 HG LEU A 73 0.993 -7.611 2.294 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.592 -5.192 2.016 1.00 1.00 H new ATOM 0 HD12 LEU A 73 2.326 -5.586 1.936 1.00 1.00 H new ATOM 0 HD13 LEU A 73 1.422 -5.241 0.443 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.095 -6.820 1.258 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.333 -6.922 -0.347 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.593 -8.399 0.611 1.00 1.00 H new ATOM 1239 N ARG A 74 2.988 -9.844 -1.831 1.00 1.00 N ATOM 1240 CA ARG A 74 4.022 -10.401 -2.693 1.00 1.00 C ATOM 1241 C ARG A 74 4.421 -9.388 -3.751 1.00 1.00 C ATOM 1242 O ARG A 74 3.624 -8.527 -4.121 1.00 1.00 O ATOM 1243 CB ARG A 74 3.524 -11.678 -3.370 1.00 1.00 C ATOM 1244 CG ARG A 74 3.096 -12.753 -2.390 1.00 1.00 C ATOM 1245 CD ARG A 74 2.510 -13.959 -3.095 1.00 1.00 C ATOM 1246 NE ARG A 74 1.972 -14.924 -2.142 1.00 1.00 N ATOM 1247 CZ ARG A 74 1.419 -16.083 -2.480 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.319 -16.426 -3.758 1.00 1.00 N ATOM 1249 NH2 ARG A 74 0.959 -16.897 -1.540 1.00 1.00 N ATOM 0 H ARG A 74 2.246 -9.351 -2.328 1.00 1.00 H new ATOM 0 HA ARG A 74 4.889 -10.641 -2.078 1.00 1.00 H new ATOM 0 HB2 ARG A 74 2.683 -11.432 -4.018 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.314 -12.073 -4.009 1.00 1.00 H new ATOM 0 HG2 ARG A 74 3.954 -13.063 -1.793 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.359 -12.342 -1.700 1.00 1.00 H new ATOM 0 HD2 ARG A 74 1.720 -13.637 -3.774 1.00 1.00 H new ATOM 0 HD3 ARG A 74 3.279 -14.436 -3.703 1.00 1.00 H new ATOM 0 HE ARG A 74 2.024 -14.693 -1.150 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.667 -15.799 -4.483 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.894 -17.317 -4.015 1.00 1.00 H new ATOM 0 HH21 ARG A 74 1.030 -16.633 -0.557 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.534 -17.787 -1.800 1.00 1.00 H new ATOM 1263 N ASN A 75 5.650 -9.489 -4.237 1.00 1.00 N ATOM 1264 CA ASN A 75 6.127 -8.580 -5.270 1.00 1.00 C ATOM 1265 C ASN A 75 5.287 -8.744 -6.535 1.00 1.00 C ATOM 1266 O ASN A 75 5.109 -9.852 -7.042 1.00 1.00 O ATOM 1267 CB ASN A 75 7.622 -8.800 -5.565 1.00 1.00 C ATOM 1268 CG ASN A 75 7.927 -10.104 -6.282 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.961 -10.156 -7.513 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.160 -11.161 -5.522 1.00 1.00 N ATOM 0 H ASN A 75 6.331 -10.186 -3.935 1.00 1.00 H new ATOM 0 HA ASN A 75 6.018 -7.558 -4.907 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.988 -7.971 -6.170 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.174 -8.777 -4.625 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.377 -12.060 -5.952 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.122 -11.077 -4.506 1.00 1.00 H new ATOM 1277 N GLY A 76 4.732 -7.641 -7.011 1.00 1.00 N ATOM 1278 CA GLY A 76 3.889 -7.688 -8.187 1.00 1.00 C ATOM 1279 C GLY A 76 2.420 -7.536 -7.855 1.00 1.00 C ATOM 1280 O GLY A 76 1.596 -7.305 -8.740 1.00 1.00 O ATOM 0 H GLY A 76 4.850 -6.713 -6.604 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.186 -6.896 -8.875 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.045 -8.635 -8.704 1.00 1.00 H new ATOM 1284 N ASP A 77 2.092 -7.664 -6.577 1.00 1.00 N ATOM 1285 CA ASP A 77 0.707 -7.581 -6.131 1.00 1.00 C ATOM 1286 C ASP A 77 0.221 -6.141 -6.170 1.00 1.00 C ATOM 1287 O ASP A 77 1.016 -5.204 -6.254 1.00 1.00 O ATOM 1288 CB ASP A 77 0.559 -8.179 -4.734 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.867 -8.185 -4.212 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.804 -8.312 -5.033 1.00 1.00 O ATOM 1291 OD2 ASP A 77 -1.055 -8.082 -2.986 1.00 1.00 O ATOM 0 H ASP A 77 2.767 -7.826 -5.829 1.00 1.00 H new ATOM 0 HA ASP A 77 0.085 -8.162 -6.811 1.00 1.00 H new ATOM 0 HB2 ASP A 77 0.935 -9.202 -4.746 1.00 1.00 H new ATOM 0 HB3 ASP A 77 1.186 -7.618 -4.041 1.00 1.00 H new ATOM 1296 N THR A 78 -1.081 -5.977 -6.128 1.00 1.00 N ATOM 1297 CA THR A 78 -1.694 -4.678 -6.347 1.00 1.00 C ATOM 1298 C THR A 78 -2.519 -4.217 -5.148 1.00 1.00 C ATOM 1299 O THR A 78 -3.448 -4.897 -4.708 1.00 1.00 O ATOM 1300 CB THR A 78 -2.587 -4.702 -7.603 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.850 -5.255 -8.700 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.063 -3.300 -7.965 1.00 1.00 C ATOM 0 H THR A 78 -1.744 -6.730 -5.943 1.00 1.00 H new ATOM 0 HA THR A 78 -0.879 -3.968 -6.489 1.00 1.00 H new ATOM 0 HB THR A 78 -3.462 -5.317 -7.392 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.417 -5.273 -9.499 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.691 -3.347 -8.855 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.638 -2.886 -7.137 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.201 -2.663 -8.163 1.00 1.00 H new ATOM 1310 N MET A 79 -2.159 -3.057 -4.622 1.00 1.00 N ATOM 1311 CA MET A 79 -2.927 -2.404 -3.579 1.00 1.00 C ATOM 1312 C MET A 79 -3.366 -1.031 -4.055 1.00 1.00 C ATOM 1313 O MET A 79 -2.565 -0.267 -4.583 1.00 1.00 O ATOM 1314 CB MET A 79 -2.090 -2.273 -2.310 1.00 1.00 C ATOM 1315 CG MET A 79 -2.051 -3.532 -1.462 1.00 1.00 C ATOM 1316 SD MET A 79 -0.700 -3.523 -0.269 1.00 1.00 S ATOM 1317 CE MET A 79 -0.730 -1.823 0.285 1.00 1.00 C ATOM 0 H MET A 79 -1.325 -2.543 -4.908 1.00 1.00 H new ATOM 0 HA MET A 79 -3.807 -3.007 -3.355 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.071 -2.002 -2.586 1.00 1.00 H new ATOM 0 HB3 MET A 79 -2.486 -1.455 -1.709 1.00 1.00 H new ATOM 0 HG2 MET A 79 -2.998 -3.638 -0.932 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.950 -4.401 -2.113 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.159 -1.731 1.209 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.289 -1.183 -0.479 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.761 -1.517 0.464 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.633 -0.719 -3.883 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.152 0.564 -4.317 1.00 1.00 C ATOM 1329 C GLU A 80 -5.137 1.560 -3.172 1.00 1.00 C ATOM 1330 O GLU A 80 -5.885 1.410 -2.205 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.581 0.427 -4.848 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.726 -0.552 -5.998 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.112 -0.526 -6.613 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.096 -0.830 -5.906 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.224 -0.213 -7.815 1.00 1.00 O ATOM 0 H GLU A 80 -5.322 -1.332 -3.448 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.509 0.925 -5.120 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.231 0.111 -4.032 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -6.931 1.407 -5.173 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -5.988 -0.318 -6.765 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.509 -1.559 -5.643 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.271 2.555 -3.261 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.328 3.669 -2.331 1.00 1.00 C ATOM 1344 C TYR A 81 -5.413 4.614 -2.817 1.00 1.00 C ATOM 1345 O TYR A 81 -5.227 5.356 -3.781 1.00 1.00 O ATOM 1346 CB TYR A 81 -2.973 4.383 -2.232 1.00 1.00 C ATOM 1347 CG TYR A 81 -2.905 5.453 -1.168 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.268 6.764 -1.448 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.457 5.157 0.111 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.187 7.747 -0.483 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.377 6.133 1.082 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.741 7.427 0.782 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.652 8.403 1.749 1.00 1.00 O ATOM 0 H TYR A 81 -3.529 2.615 -3.958 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.560 3.310 -1.328 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.199 3.641 -2.033 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.742 4.833 -3.197 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.619 7.018 -2.437 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.166 4.145 0.350 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.472 8.762 -0.717 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.030 5.884 2.074 1.00 1.00 H new ATOM 0 HH TYR A 81 -1.847 8.256 2.289 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.550 4.562 -2.160 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.734 5.259 -2.627 1.00 1.00 C ATOM 1365 C ARG A 82 -8.556 5.732 -1.447 1.00 1.00 C ATOM 1366 O ARG A 82 -8.328 5.307 -0.316 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.567 4.327 -3.518 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.840 2.969 -2.883 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.567 2.021 -3.828 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.956 2.415 -4.057 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.870 1.627 -4.626 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.531 0.436 -5.107 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.123 2.042 -4.735 1.00 1.00 N ATOM 0 H ARG A 82 -6.683 4.041 -1.293 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.432 6.128 -3.211 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.517 4.810 -3.749 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.046 4.180 -4.464 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -7.896 2.518 -2.576 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.436 3.106 -1.981 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.040 1.989 -4.782 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.542 1.012 -3.416 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.244 3.349 -3.764 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.564 0.116 -5.043 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.237 -0.159 -5.540 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.388 2.963 -4.384 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.823 1.441 -5.170 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.505 6.610 -1.708 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.381 7.100 -0.666 1.00 1.00 C ATOM 1389 C LYS A 83 -11.367 6.001 -0.292 1.00 1.00 C ATOM 1390 O LYS A 83 -11.842 5.272 -1.164 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.107 8.358 -1.142 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.823 9.117 -0.040 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.397 10.421 -0.564 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.149 11.182 0.513 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.667 12.479 0.009 1.00 1.00 N ATOM 0 H LYS A 83 -9.688 6.998 -2.634 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.800 7.366 0.217 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.385 9.023 -1.616 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.833 8.078 -1.906 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.624 8.501 0.370 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.129 9.322 0.775 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -11.590 11.043 -0.952 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.068 10.213 -1.397 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -13.979 10.575 0.876 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.489 11.359 1.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.175 12.970 0.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -12.873 13.068 -0.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.317 12.308 -0.785 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.639 5.860 0.998 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.507 4.795 1.488 1.00 1.00 C ATOM 1411 C LYS A 84 -13.910 4.900 0.907 1.00 1.00 C ATOM 1412 O LYS A 84 -14.668 5.803 1.257 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.565 4.818 3.016 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.284 4.343 3.674 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.328 4.524 5.182 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.144 3.849 5.851 1.00 1.00 C ATOM 1417 NZ LYS A 84 -10.227 2.369 5.746 1.00 1.00 N ATOM 0 H LYS A 84 -11.271 6.471 1.727 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.082 3.846 1.160 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.781 5.833 3.349 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.391 4.190 3.350 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -11.122 3.291 3.438 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.438 4.896 3.265 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.328 5.587 5.423 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.256 4.108 5.574 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.219 4.196 5.390 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.105 4.138 6.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -9.584 1.935 6.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.202 2.061 5.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -9.953 2.073 4.787 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.219 3.974 -0.001 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.538 3.867 -0.619 1.00 1.00 C ATOM 1433 C GLN A 85 -15.936 5.166 -1.310 1.00 1.00 C ATOM 1434 O GLN A 85 -15.332 5.490 -2.352 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.589 3.474 0.421 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.281 2.165 1.126 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.389 1.735 2.063 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.404 2.101 3.238 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.323 0.952 1.551 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.858 5.853 -0.823 1.00 1.00 O ATOM 0 H GLN A 85 -13.555 3.273 -0.330 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.485 3.086 -1.378 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.669 4.268 1.164 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.560 3.395 -0.067 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.116 1.386 0.382 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -15.354 2.269 1.689 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -18.273 0.672 0.572 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -19.094 0.628 2.135 1.00 1.00 H new TER 1449 GLN A 85