USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 524 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 31 TYR OH : rot 166:sc= 0 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.074) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 170:sc= 1.06 USER MOD Single : A 30 GLN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.438 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.985 27.768 -10.467 1.00 0.00 N ATOM 2 CA MET A 1 -7.555 26.496 -10.976 1.00 0.00 C ATOM 3 C MET A 1 -7.970 25.594 -9.812 1.00 0.00 C ATOM 4 O MET A 1 -7.130 24.981 -9.151 1.00 0.00 O ATOM 5 CB MET A 1 -6.591 25.787 -11.952 1.00 0.00 C ATOM 6 CG MET A 1 -7.260 24.608 -12.680 1.00 0.00 C ATOM 7 SD MET A 1 -7.120 24.674 -14.490 1.00 0.00 S ATOM 8 CE MET A 1 -8.725 23.970 -14.960 1.00 0.00 C ATOM 0 H1 MET A 1 -6.708 28.370 -11.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.697 28.262 -9.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.150 27.565 -9.882 1.00 0.00 H new ATOM 0 HA MET A 1 -8.452 26.729 -11.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.228 26.506 -12.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.722 25.426 -11.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.816 23.678 -12.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.315 24.580 -12.409 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.804 23.938 -16.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.810 22.960 -14.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.526 24.589 -14.556 1.00 0.00 H new ATOM 16 N CYS A 2 -9.279 25.519 -9.560 1.00 0.00 N ATOM 17 CA CYS A 2 -9.899 24.731 -8.485 1.00 0.00 C ATOM 18 C CYS A 2 -11.207 24.061 -8.960 1.00 0.00 C ATOM 19 O CYS A 2 -12.217 24.043 -8.247 1.00 0.00 O ATOM 20 CB CYS A 2 -10.062 25.605 -7.226 1.00 0.00 C ATOM 21 SG CYS A 2 -11.054 27.098 -7.558 1.00 0.00 S ATOM 0 H CYS A 2 -9.966 26.025 -10.120 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.243 23.904 -8.211 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.538 25.021 -6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.079 25.897 -6.857 1.00 0.00 H new ATOM 0 HG CYS A 2 -11.164 27.798 -6.468 1.00 0.00 H new ATOM 26 N ARG A 3 -11.192 23.525 -10.195 1.00 0.00 N ATOM 27 CA ARG A 3 -12.282 22.714 -10.778 1.00 0.00 C ATOM 28 C ARG A 3 -12.751 21.606 -9.827 1.00 0.00 C ATOM 29 O ARG A 3 -11.977 21.169 -8.969 1.00 0.00 O ATOM 30 CB ARG A 3 -11.867 22.130 -12.147 1.00 0.00 C ATOM 31 CG ARG A 3 -10.701 21.121 -12.096 1.00 0.00 C ATOM 32 CD ARG A 3 -10.470 20.436 -13.456 1.00 0.00 C ATOM 33 NE ARG A 3 -10.936 19.031 -13.460 1.00 0.00 N ATOM 34 CZ ARG A 3 -11.076 18.241 -14.512 1.00 0.00 C ATOM 35 NH1 ARG A 3 -10.901 18.667 -15.731 1.00 0.00 N ATOM 36 NH2 ARG A 3 -11.393 16.986 -14.357 1.00 0.00 N ATOM 0 H ARG A 3 -10.404 23.646 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.129 23.382 -10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.732 21.641 -12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.589 22.952 -12.807 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.790 21.635 -11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.909 20.364 -11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.992 20.992 -14.235 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.408 20.466 -13.700 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.175 18.628 -12.554 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.647 19.640 -15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.018 18.027 -16.517 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.535 16.608 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.499 16.382 -15.172 1.00 0.00 H new ATOM 47 N LYS A 4 -13.988 21.118 -10.008 1.00 0.00 N ATOM 48 CA LYS A 4 -14.545 20.008 -9.213 1.00 0.00 C ATOM 49 C LYS A 4 -13.534 18.856 -9.124 1.00 0.00 C ATOM 50 O LYS A 4 -13.069 18.346 -10.148 1.00 0.00 O ATOM 51 CB LYS A 4 -15.952 19.609 -9.709 1.00 0.00 C ATOM 52 CG LYS A 4 -16.073 18.903 -11.075 1.00 0.00 C ATOM 53 CD LYS A 4 -16.000 17.364 -11.012 1.00 0.00 C ATOM 54 CE LYS A 4 -16.543 16.752 -12.311 1.00 0.00 C ATOM 55 NZ LYS A 4 -15.876 15.465 -12.644 1.00 0.00 N ATOM 0 H LYS A 4 -14.633 21.481 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.705 20.336 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.397 18.957 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.560 20.513 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.019 19.190 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.278 19.265 -11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.968 17.048 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.577 17.000 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.616 16.589 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.401 17.456 -13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.273 15.087 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.855 15.624 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.033 14.783 -11.874 1.00 0.00 H new ATOM 65 N LYS A 5 -13.100 18.527 -7.906 1.00 0.00 N ATOM 66 CA LYS A 5 -12.062 17.513 -7.678 1.00 0.00 C ATOM 67 C LYS A 5 -12.686 16.116 -7.875 1.00 0.00 C ATOM 68 O LYS A 5 -13.840 15.929 -7.468 1.00 0.00 O ATOM 69 CB LYS A 5 -11.419 17.760 -6.295 1.00 0.00 C ATOM 70 CG LYS A 5 -10.013 17.146 -6.188 1.00 0.00 C ATOM 71 CD LYS A 5 -9.087 17.840 -5.174 1.00 0.00 C ATOM 72 CE LYS A 5 -8.252 18.929 -5.871 1.00 0.00 C ATOM 73 NZ LYS A 5 -7.163 19.444 -5.000 1.00 0.00 N ATOM 0 H LYS A 5 -13.455 18.953 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.246 17.578 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.360 18.833 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.058 17.338 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.109 16.096 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.542 17.176 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.680 18.283 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.427 17.106 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.822 18.524 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.903 19.753 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.627 20.175 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.573 19.854 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.526 18.663 -4.743 1.00 0.00 H new ATOM 83 N PRO A 6 -12.004 15.155 -8.533 1.00 0.00 N ATOM 84 CA PRO A 6 -12.558 13.819 -8.768 1.00 0.00 C ATOM 85 C PRO A 6 -12.697 13.029 -7.454 1.00 0.00 C ATOM 86 O PRO A 6 -12.399 13.543 -6.374 1.00 0.00 O ATOM 87 CB PRO A 6 -11.628 13.165 -9.799 1.00 0.00 C ATOM 88 CG PRO A 6 -10.296 13.895 -9.653 1.00 0.00 C ATOM 89 CD PRO A 6 -10.658 15.263 -9.084 1.00 0.00 C ATOM 0 HA PRO A 6 -13.576 13.850 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.516 12.098 -9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.025 13.268 -10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.621 13.356 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.789 13.988 -10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.948 15.559 -8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.620 16.026 -9.861 1.00 0.00 H new ATOM 94 N ASP A 7 -13.146 11.772 -7.521 1.00 0.00 N ATOM 95 CA ASP A 7 -13.425 10.883 -6.373 1.00 0.00 C ATOM 96 C ASP A 7 -12.167 10.429 -5.576 1.00 0.00 C ATOM 97 O ASP A 7 -12.098 9.314 -5.057 1.00 0.00 O ATOM 98 CB ASP A 7 -14.273 9.701 -6.877 1.00 0.00 C ATOM 99 CG ASP A 7 -15.609 10.167 -7.484 1.00 0.00 C ATOM 100 OD1 ASP A 7 -16.545 10.496 -6.716 1.00 0.00 O ATOM 101 OD2 ASP A 7 -15.727 10.208 -8.733 1.00 0.00 O ATOM 0 H ASP A 7 -13.336 11.319 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.983 11.456 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.710 9.144 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.469 9.017 -6.051 1.00 0.00 H new ATOM 105 N THR A 8 -11.144 11.285 -5.480 1.00 0.00 N ATOM 106 CA THR A 8 -9.824 11.022 -4.887 1.00 0.00 C ATOM 107 C THR A 8 -9.839 10.949 -3.354 1.00 0.00 C ATOM 108 O THR A 8 -9.163 10.103 -2.765 1.00 0.00 O ATOM 109 CB THR A 8 -8.818 12.075 -5.388 1.00 0.00 C ATOM 110 OG1 THR A 8 -7.508 11.704 -5.029 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.047 13.494 -4.854 1.00 0.00 C ATOM 0 H THR A 8 -11.218 12.238 -5.835 1.00 0.00 H new ATOM 0 HA THR A 8 -9.515 10.030 -5.216 1.00 0.00 H new ATOM 0 HB THR A 8 -8.967 12.100 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.876 12.379 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.290 14.163 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.036 13.840 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.978 13.489 -3.766 1.00 0.00 H new ATOM 119 N MET A 9 -10.676 11.764 -2.693 1.00 0.00 N ATOM 120 CA MET A 9 -10.888 11.727 -1.235 1.00 0.00 C ATOM 121 C MET A 9 -11.381 10.352 -0.763 1.00 0.00 C ATOM 122 O MET A 9 -11.001 9.884 0.313 1.00 0.00 O ATOM 123 CB MET A 9 -11.899 12.816 -0.836 1.00 0.00 C ATOM 124 CG MET A 9 -11.290 14.221 -0.902 1.00 0.00 C ATOM 125 SD MET A 9 -10.112 14.569 0.435 1.00 0.00 S ATOM 126 CE MET A 9 -9.365 16.091 -0.203 1.00 0.00 C ATOM 0 H MET A 9 -11.233 12.478 -3.162 1.00 0.00 H new ATOM 0 HA MET A 9 -9.930 11.914 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.765 12.765 -1.496 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.258 12.624 0.175 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.785 14.344 -1.860 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.093 14.957 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.611 16.448 0.499 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.897 15.890 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.136 16.851 -0.325 1.00 0.00 H new ATOM 134 N ILE A 10 -12.184 9.684 -1.596 1.00 0.00 N ATOM 135 CA ILE A 10 -12.649 8.316 -1.359 1.00 0.00 C ATOM 136 C ILE A 10 -11.627 7.302 -1.873 1.00 0.00 C ATOM 137 O ILE A 10 -11.344 6.368 -1.137 1.00 0.00 O ATOM 138 CB ILE A 10 -14.052 8.121 -1.965 1.00 0.00 C ATOM 139 CG1 ILE A 10 -15.080 8.983 -1.193 1.00 0.00 C ATOM 140 CG2 ILE A 10 -14.495 6.648 -1.921 1.00 0.00 C ATOM 141 CD1 ILE A 10 -16.227 9.457 -2.090 1.00 0.00 C ATOM 0 H ILE A 10 -12.534 10.085 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.740 8.142 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.005 8.431 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.485 8.405 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.576 9.848 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.489 6.554 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.791 6.039 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.519 6.306 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.923 10.058 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.826 10.058 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.750 8.593 -2.499 1.00 0.00 H new ATOM 152 N LEU A 11 -11.005 7.483 -3.048 1.00 0.00 N ATOM 153 CA LEU A 11 -9.951 6.586 -3.556 1.00 0.00 C ATOM 154 C LEU A 11 -8.830 6.354 -2.514 1.00 0.00 C ATOM 155 O LEU A 11 -8.400 5.221 -2.319 1.00 0.00 O ATOM 156 CB LEU A 11 -9.398 7.142 -4.884 1.00 0.00 C ATOM 157 CG LEU A 11 -8.590 6.130 -5.724 1.00 0.00 C ATOM 158 CD1 LEU A 11 -9.504 5.204 -6.533 1.00 0.00 C ATOM 159 CD2 LEU A 11 -7.705 6.871 -6.728 1.00 0.00 C ATOM 0 H LEU A 11 -11.218 8.258 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.391 5.606 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.232 7.507 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.763 8.000 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.997 5.543 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.897 4.507 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.150 4.647 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.117 5.799 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.139 6.149 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.330 7.469 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.015 7.524 -6.193 1.00 0.00 H new ATOM 170 N THR A 12 -8.430 7.386 -1.766 1.00 0.00 N ATOM 171 CA THR A 12 -7.506 7.271 -0.620 1.00 0.00 C ATOM 172 C THR A 12 -8.048 6.396 0.525 1.00 0.00 C ATOM 173 O THR A 12 -7.295 5.612 1.105 1.00 0.00 O ATOM 174 CB THR A 12 -7.120 8.683 -0.133 1.00 0.00 C ATOM 175 OG1 THR A 12 -5.985 9.103 -0.861 1.00 0.00 O ATOM 176 CG2 THR A 12 -6.767 8.813 1.351 1.00 0.00 C ATOM 0 H THR A 12 -8.740 8.342 -1.937 1.00 0.00 H new ATOM 0 HA THR A 12 -6.614 6.750 -0.967 1.00 0.00 H new ATOM 0 HB THR A 12 -8.012 9.289 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.723 10.001 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.513 9.849 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.621 8.510 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.915 8.173 1.580 1.00 0.00 H new ATOM 184 N GLN A 13 -9.344 6.478 0.849 1.00 0.00 N ATOM 185 CA GLN A 13 -9.981 5.583 1.829 1.00 0.00 C ATOM 186 C GLN A 13 -10.222 4.165 1.286 1.00 0.00 C ATOM 187 O GLN A 13 -10.086 3.207 2.048 1.00 0.00 O ATOM 188 CB GLN A 13 -11.304 6.165 2.355 1.00 0.00 C ATOM 189 CG GLN A 13 -11.102 7.329 3.338 1.00 0.00 C ATOM 190 CD GLN A 13 -12.381 7.665 4.113 1.00 0.00 C ATOM 191 OE1 GLN A 13 -13.504 7.524 3.637 1.00 0.00 O ATOM 192 NE2 GLN A 13 -12.271 8.105 5.349 1.00 0.00 N ATOM 0 H GLN A 13 -9.981 7.163 0.442 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.271 5.505 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.903 6.509 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.871 5.375 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.310 7.074 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.770 8.211 2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.348 8.230 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.108 8.321 5.890 1.00 0.00 H new ATOM 199 N ILE A 14 -10.529 3.975 -0.006 1.00 0.00 N ATOM 200 CA ILE A 14 -10.599 2.622 -0.577 1.00 0.00 C ATOM 201 C ILE A 14 -9.206 1.997 -0.585 1.00 0.00 C ATOM 202 O ILE A 14 -9.081 0.833 -0.256 1.00 0.00 O ATOM 203 CB ILE A 14 -11.321 2.493 -1.946 1.00 0.00 C ATOM 204 CG1 ILE A 14 -10.379 2.483 -3.176 1.00 0.00 C ATOM 205 CG2 ILE A 14 -12.470 3.500 -2.110 1.00 0.00 C ATOM 206 CD1 ILE A 14 -11.091 2.370 -4.528 1.00 0.00 C ATOM 0 H ILE A 14 -10.730 4.727 -0.665 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.255 2.055 0.083 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.763 1.497 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.785 3.397 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.683 1.650 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.937 3.363 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.210 3.338 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.078 4.514 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.352 2.371 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.662 1.442 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.766 3.216 -4.656 1.00 0.00 H new ATOM 217 N GLU A 15 -8.143 2.757 -0.843 1.00 0.00 N ATOM 218 CA GLU A 15 -6.753 2.292 -0.741 1.00 0.00 C ATOM 219 C GLU A 15 -6.362 1.791 0.668 1.00 0.00 C ATOM 220 O GLU A 15 -5.366 1.083 0.786 1.00 0.00 O ATOM 221 CB GLU A 15 -5.808 3.389 -1.259 1.00 0.00 C ATOM 222 CG GLU A 15 -5.747 3.367 -2.797 1.00 0.00 C ATOM 223 CD GLU A 15 -4.987 4.560 -3.425 1.00 0.00 C ATOM 224 OE1 GLU A 15 -4.852 5.640 -2.800 1.00 0.00 O ATOM 225 OE2 GLU A 15 -4.542 4.425 -4.593 1.00 0.00 O ATOM 0 H GLU A 15 -8.221 3.731 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.655 1.409 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.152 4.365 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.810 3.241 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.270 2.440 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.764 3.354 -3.188 1.00 0.00 H new ATOM 230 N ALA A 16 -7.151 2.059 1.720 1.00 0.00 N ATOM 231 CA ALA A 16 -7.041 1.383 3.018 1.00 0.00 C ATOM 232 C ALA A 16 -7.737 0.003 3.047 1.00 0.00 C ATOM 233 O ALA A 16 -7.151 -0.979 3.512 1.00 0.00 O ATOM 234 CB ALA A 16 -7.640 2.302 4.091 1.00 0.00 C ATOM 0 H ALA A 16 -7.891 2.760 1.691 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.985 1.191 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.569 1.818 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.091 3.243 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.687 2.498 3.859 1.00 0.00 H new ATOM 240 N LYS A 17 -8.980 -0.101 2.545 1.00 0.00 N ATOM 241 CA LYS A 17 -9.775 -1.351 2.583 1.00 0.00 C ATOM 242 C LYS A 17 -9.451 -2.317 1.440 1.00 0.00 C ATOM 243 O LYS A 17 -9.366 -3.517 1.660 1.00 0.00 O ATOM 244 CB LYS A 17 -11.286 -1.046 2.667 1.00 0.00 C ATOM 245 CG LYS A 17 -11.986 -0.881 1.303 1.00 0.00 C ATOM 246 CD LYS A 17 -13.486 -0.604 1.426 1.00 0.00 C ATOM 247 CE LYS A 17 -13.778 0.822 1.905 1.00 0.00 C ATOM 248 NZ LYS A 17 -15.230 1.009 2.160 1.00 0.00 N ATOM 0 H LYS A 17 -9.466 0.677 2.100 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.482 -1.872 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.775 -1.850 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.427 -0.133 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.516 -0.063 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.837 -1.786 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.963 -0.765 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.929 -1.316 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.215 1.026 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.441 1.538 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.403 1.982 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.762 0.836 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.543 0.340 2.892 1.00 0.00 H new ATOM 258 N GLU A 18 -9.235 -1.803 0.232 1.00 0.00 N ATOM 259 CA GLU A 18 -8.757 -2.530 -0.946 1.00 0.00 C ATOM 260 C GLU A 18 -7.287 -2.909 -0.820 1.00 0.00 C ATOM 261 O GLU A 18 -6.841 -3.806 -1.526 1.00 0.00 O ATOM 262 CB GLU A 18 -8.887 -1.714 -2.244 1.00 0.00 C ATOM 263 CG GLU A 18 -10.315 -1.544 -2.764 1.00 0.00 C ATOM 264 CD GLU A 18 -10.322 -1.298 -4.291 1.00 0.00 C ATOM 265 OE1 GLU A 18 -9.429 -0.588 -4.812 1.00 0.00 O ATOM 266 OE2 GLU A 18 -11.212 -1.842 -4.987 1.00 0.00 O ATOM 0 H GLU A 18 -9.397 -0.815 0.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.389 -3.417 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.457 -0.726 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.290 -2.195 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.899 -2.435 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.794 -0.708 -2.255 1.00 0.00 H new ATOM 271 N ALA A 19 -6.516 -2.259 0.053 1.00 0.00 N ATOM 272 CA ALA A 19 -5.273 -2.845 0.524 1.00 0.00 C ATOM 273 C ALA A 19 -5.556 -4.109 1.337 1.00 0.00 C ATOM 274 O ALA A 19 -5.017 -5.151 0.993 1.00 0.00 O ATOM 275 CB ALA A 19 -4.496 -1.826 1.329 1.00 0.00 C ATOM 0 H ALA A 19 -6.731 -1.340 0.440 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.663 -3.135 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.565 -2.272 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.272 -0.962 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.091 -1.509 2.185 1.00 0.00 H new ATOM 281 N CYS A 20 -6.425 -4.070 2.352 1.00 0.00 N ATOM 282 CA CYS A 20 -6.759 -5.281 3.106 1.00 0.00 C ATOM 283 C CYS A 20 -7.298 -6.401 2.204 1.00 0.00 C ATOM 284 O CYS A 20 -6.787 -7.519 2.244 1.00 0.00 O ATOM 285 CB CYS A 20 -7.684 -4.943 4.282 1.00 0.00 C ATOM 286 SG CYS A 20 -7.830 -6.390 5.376 1.00 0.00 S ATOM 0 H CYS A 20 -6.903 -3.226 2.667 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.839 -5.683 3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.288 -4.093 4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.668 -4.652 3.913 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.612 -6.103 6.374 1.00 0.00 H new ATOM 291 N ASP A 21 -8.241 -6.083 1.316 1.00 0.00 N ATOM 292 CA ASP A 21 -8.791 -7.023 0.342 1.00 0.00 C ATOM 293 C ASP A 21 -7.708 -7.580 -0.605 1.00 0.00 C ATOM 294 O ASP A 21 -7.615 -8.795 -0.766 1.00 0.00 O ATOM 295 CB ASP A 21 -9.929 -6.352 -0.440 1.00 0.00 C ATOM 296 CG ASP A 21 -10.882 -7.394 -1.045 1.00 0.00 C ATOM 297 OD1 ASP A 21 -10.636 -7.861 -2.181 1.00 0.00 O ATOM 298 OD2 ASP A 21 -11.891 -7.741 -0.385 1.00 0.00 O ATOM 0 H ASP A 21 -8.649 -5.150 1.253 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.192 -7.879 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.485 -5.688 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.512 -5.733 -1.235 1.00 0.00 H new ATOM 302 N TRP A 22 -6.848 -6.722 -1.175 1.00 0.00 N ATOM 303 CA TRP A 22 -5.771 -7.139 -2.078 1.00 0.00 C ATOM 304 C TRP A 22 -4.677 -7.930 -1.361 1.00 0.00 C ATOM 305 O TRP A 22 -4.379 -9.038 -1.782 1.00 0.00 O ATOM 306 CB TRP A 22 -5.182 -5.920 -2.787 1.00 0.00 C ATOM 307 CG TRP A 22 -4.214 -6.174 -3.905 1.00 0.00 C ATOM 308 CD1 TRP A 22 -4.514 -6.081 -5.220 1.00 0.00 C ATOM 309 CD2 TRP A 22 -2.801 -6.557 -3.849 1.00 0.00 C ATOM 310 NE1 TRP A 22 -3.403 -6.385 -5.979 1.00 0.00 N ATOM 311 CE2 TRP A 22 -2.339 -6.734 -5.185 1.00 0.00 C ATOM 312 CE3 TRP A 22 -1.864 -6.788 -2.820 1.00 0.00 C ATOM 313 CZ2 TRP A 22 -1.049 -7.190 -5.483 1.00 0.00 C ATOM 314 CZ3 TRP A 22 -0.560 -7.243 -3.106 1.00 0.00 C ATOM 315 CH2 TRP A 22 -0.161 -7.466 -4.434 1.00 0.00 C ATOM 0 H TRP A 22 -6.883 -5.714 -1.020 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.207 -7.811 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.008 -5.329 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.680 -5.305 -2.040 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.481 -5.809 -5.617 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.376 -6.354 -6.998 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.151 -6.613 -1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.742 -7.327 -6.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.136 -7.421 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.826 -7.849 -4.646 1.00 0.00 H new ATOM 325 N LEU A 23 -4.109 -7.423 -0.261 1.00 0.00 N ATOM 326 CA LEU A 23 -3.078 -8.115 0.514 1.00 0.00 C ATOM 327 C LEU A 23 -3.579 -9.500 0.963 1.00 0.00 C ATOM 328 O LEU A 23 -2.865 -10.490 0.791 1.00 0.00 O ATOM 329 CB LEU A 23 -2.633 -7.269 1.729 1.00 0.00 C ATOM 330 CG LEU A 23 -1.539 -6.191 1.563 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.320 -6.665 0.775 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.988 -4.874 0.950 1.00 0.00 C ATOM 0 H LEU A 23 -4.357 -6.509 0.119 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.209 -8.256 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.521 -6.772 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.291 -7.962 2.498 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.276 -6.009 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.403 -5.853 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.137 -7.512 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.629 -6.968 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.138 -4.195 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.388 -5.055 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.761 -4.426 1.575 1.00 0.00 H new ATOM 343 N ARG A 24 -4.822 -9.598 1.457 1.00 0.00 N ATOM 344 CA ARG A 24 -5.470 -10.867 1.831 1.00 0.00 C ATOM 345 C ARG A 24 -5.663 -11.808 0.634 1.00 0.00 C ATOM 346 O ARG A 24 -5.295 -12.980 0.722 1.00 0.00 O ATOM 347 CB ARG A 24 -6.808 -10.549 2.525 1.00 0.00 C ATOM 348 CG ARG A 24 -7.488 -11.768 3.162 1.00 0.00 C ATOM 349 CD ARG A 24 -8.846 -11.396 3.778 1.00 0.00 C ATOM 350 NE ARG A 24 -9.903 -11.256 2.752 1.00 0.00 N ATOM 351 CZ ARG A 24 -11.204 -11.164 2.971 1.00 0.00 C ATOM 352 NH1 ARG A 24 -11.701 -11.097 4.174 1.00 0.00 N ATOM 353 NH2 ARG A 24 -12.043 -11.143 1.975 1.00 0.00 N ATOM 0 H ARG A 24 -5.417 -8.784 1.611 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.816 -11.403 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.636 -9.798 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.487 -10.107 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.629 -12.543 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.840 -12.187 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.139 -12.161 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.750 -10.460 4.329 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.598 -11.228 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.081 -11.115 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.710 -11.027 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.698 -11.198 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.045 -11.072 2.153 1.00 0.00 H new ATOM 364 N ALA A 25 -6.205 -11.313 -0.481 1.00 0.00 N ATOM 365 CA ALA A 25 -6.427 -12.095 -1.701 1.00 0.00 C ATOM 366 C ALA A 25 -5.117 -12.527 -2.402 1.00 0.00 C ATOM 367 O ALA A 25 -5.068 -13.591 -3.026 1.00 0.00 O ATOM 368 CB ALA A 25 -7.321 -11.282 -2.647 1.00 0.00 C ATOM 0 H ALA A 25 -6.507 -10.342 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.920 -13.025 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.496 -11.850 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.274 -11.076 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.829 -10.341 -2.894 1.00 0.00 H new ATOM 374 N THR A 26 -4.052 -11.730 -2.281 1.00 0.00 N ATOM 375 CA THR A 26 -2.706 -12.006 -2.801 1.00 0.00 C ATOM 376 C THR A 26 -1.992 -13.081 -1.979 1.00 0.00 C ATOM 377 O THR A 26 -1.529 -14.070 -2.553 1.00 0.00 O ATOM 378 CB THR A 26 -1.879 -10.706 -2.832 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.376 -9.894 -3.870 1.00 0.00 O ATOM 380 CG2 THR A 26 -0.391 -10.890 -3.134 1.00 0.00 C ATOM 0 H THR A 26 -4.105 -10.834 -1.796 1.00 0.00 H new ATOM 0 HA THR A 26 -2.808 -12.389 -3.816 1.00 0.00 H new ATOM 0 HB THR A 26 -1.970 -10.282 -1.832 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.974 -9.002 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.103 -9.918 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.059 -11.526 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.273 -11.357 -4.112 1.00 0.00 H new ATOM 388 N GLY A 27 -1.903 -12.916 -0.650 1.00 0.00 N ATOM 389 CA GLY A 27 -1.260 -13.902 0.237 1.00 0.00 C ATOM 390 C GLY A 27 -0.619 -13.378 1.530 1.00 0.00 C ATOM 391 O GLY A 27 0.234 -14.067 2.094 1.00 0.00 O ATOM 0 H GLY A 27 -2.272 -12.101 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.007 -14.647 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.489 -14.418 -0.336 1.00 0.00 H new ATOM 395 N PHE A 28 -0.978 -12.178 2.001 1.00 0.00 N ATOM 396 CA PHE A 28 -0.277 -11.458 3.074 1.00 0.00 C ATOM 397 C PHE A 28 -1.228 -10.698 4.028 1.00 0.00 C ATOM 398 O PHE A 28 -1.191 -9.464 4.086 1.00 0.00 O ATOM 399 CB PHE A 28 0.727 -10.482 2.452 1.00 0.00 C ATOM 400 CG PHE A 28 1.753 -11.066 1.509 1.00 0.00 C ATOM 401 CD1 PHE A 28 2.876 -11.733 2.027 1.00 0.00 C ATOM 402 CD2 PHE A 28 1.592 -10.924 0.119 1.00 0.00 C ATOM 403 CE1 PHE A 28 3.830 -12.281 1.152 1.00 0.00 C ATOM 404 CE2 PHE A 28 2.548 -11.470 -0.756 1.00 0.00 C ATOM 405 CZ PHE A 28 3.659 -12.158 -0.238 1.00 0.00 C ATOM 0 H PHE A 28 -1.783 -11.667 1.639 1.00 0.00 H new ATOM 0 HA PHE A 28 0.234 -12.205 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.168 -9.717 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.257 -9.979 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.006 -11.824 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.736 -10.397 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.693 -12.796 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.429 -11.361 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.384 -12.594 -0.910 1.00 0.00 H new ATOM 414 N PRO A 29 -2.079 -11.387 4.812 1.00 0.00 N ATOM 415 CA PRO A 29 -3.021 -10.729 5.725 1.00 0.00 C ATOM 416 C PRO A 29 -2.331 -9.887 6.826 1.00 0.00 C ATOM 417 O PRO A 29 -2.960 -9.022 7.439 1.00 0.00 O ATOM 418 CB PRO A 29 -3.916 -11.855 6.260 1.00 0.00 C ATOM 419 CG PRO A 29 -3.086 -13.130 6.099 1.00 0.00 C ATOM 420 CD PRO A 29 -2.137 -12.837 4.940 1.00 0.00 C ATOM 0 HA PRO A 29 -3.616 -9.976 5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.182 -11.686 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.849 -11.918 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.536 -13.361 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.720 -13.990 5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.147 -13.250 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.497 -13.294 4.018 1.00 0.00 H new ATOM 425 N GLN A 30 -1.021 -10.076 7.040 1.00 0.00 N ATOM 426 CA GLN A 30 -0.182 -9.275 7.941 1.00 0.00 C ATOM 427 C GLN A 30 0.103 -7.844 7.448 1.00 0.00 C ATOM 428 O GLN A 30 0.084 -6.914 8.253 1.00 0.00 O ATOM 429 CB GLN A 30 1.135 -10.039 8.166 1.00 0.00 C ATOM 430 CG GLN A 30 2.190 -9.315 9.023 1.00 0.00 C ATOM 431 CD GLN A 30 1.723 -8.974 10.440 1.00 0.00 C ATOM 432 OE1 GLN A 30 1.815 -9.771 11.364 1.00 0.00 O ATOM 433 NE2 GLN A 30 1.222 -7.780 10.670 1.00 0.00 N ATOM 0 H GLN A 30 -0.499 -10.817 6.573 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.736 -9.142 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.903 -10.994 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.575 -10.262 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.081 -9.940 9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.482 -8.394 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.140 -7.106 9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.916 -7.528 11.610 1.00 0.00 H new ATOM 440 N TYR A 31 0.382 -7.624 6.161 1.00 0.00 N ATOM 441 CA TYR A 31 0.715 -6.280 5.658 1.00 0.00 C ATOM 442 C TYR A 31 -0.461 -5.304 5.786 1.00 0.00 C ATOM 443 O TYR A 31 -0.277 -4.137 6.136 1.00 0.00 O ATOM 444 CB TYR A 31 1.127 -6.364 4.192 1.00 0.00 C ATOM 445 CG TYR A 31 2.509 -6.914 3.898 1.00 0.00 C ATOM 446 CD1 TYR A 31 3.642 -6.524 4.643 1.00 0.00 C ATOM 447 CD2 TYR A 31 2.663 -7.807 2.825 1.00 0.00 C ATOM 448 CE1 TYR A 31 4.909 -7.055 4.329 1.00 0.00 C ATOM 449 CE2 TYR A 31 3.914 -8.377 2.540 1.00 0.00 C ATOM 450 CZ TYR A 31 5.047 -7.990 3.281 1.00 0.00 C ATOM 451 OH TYR A 31 6.265 -8.508 2.979 1.00 0.00 O ATOM 0 H TYR A 31 0.385 -8.353 5.447 1.00 0.00 H new ATOM 0 HA TYR A 31 1.537 -5.904 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.397 -6.983 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.062 -5.364 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.538 -5.818 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.810 -8.058 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.777 -6.745 4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.007 -9.111 1.754 1.00 0.00 H new ATOM 0 HH TYR A 31 6.153 -9.293 2.403 1.00 0.00 H new ATOM 460 N ALA A 32 -1.678 -5.802 5.560 1.00 0.00 N ATOM 461 CA ALA A 32 -2.899 -5.068 5.847 1.00 0.00 C ATOM 462 C ALA A 32 -3.010 -4.721 7.337 1.00 0.00 C ATOM 463 O ALA A 32 -3.278 -3.572 7.675 1.00 0.00 O ATOM 464 CB ALA A 32 -4.078 -5.921 5.394 1.00 0.00 C ATOM 0 H ALA A 32 -1.839 -6.731 5.171 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.892 -4.120 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.009 -5.393 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.998 -6.114 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.072 -6.867 5.935 1.00 0.00 H new ATOM 470 N GLN A 33 -2.742 -5.681 8.227 1.00 0.00 N ATOM 471 CA GLN A 33 -2.785 -5.469 9.676 1.00 0.00 C ATOM 472 C GLN A 33 -1.735 -4.456 10.168 1.00 0.00 C ATOM 473 O GLN A 33 -2.032 -3.662 11.054 1.00 0.00 O ATOM 474 CB GLN A 33 -2.657 -6.825 10.384 1.00 0.00 C ATOM 475 CG GLN A 33 -2.900 -6.723 11.896 1.00 0.00 C ATOM 476 CD GLN A 33 -3.144 -8.098 12.516 1.00 0.00 C ATOM 477 OE1 GLN A 33 -2.244 -8.916 12.668 1.00 0.00 O ATOM 478 NE2 GLN A 33 -4.368 -8.411 12.889 1.00 0.00 N ATOM 0 H GLN A 33 -2.488 -6.632 7.961 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.746 -5.021 9.928 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.370 -7.526 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.662 -7.232 10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.039 -6.255 12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.759 -6.079 12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.126 -7.739 12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.558 -9.325 13.299 1.00 0.00 H new ATOM 485 N LEU A 34 -0.541 -4.427 9.565 1.00 0.00 N ATOM 486 CA LEU A 34 0.503 -3.430 9.839 1.00 0.00 C ATOM 487 C LEU A 34 0.059 -1.993 9.514 1.00 0.00 C ATOM 488 O LEU A 34 0.384 -1.062 10.252 1.00 0.00 O ATOM 489 CB LEU A 34 1.762 -3.804 9.041 1.00 0.00 C ATOM 490 CG LEU A 34 2.750 -4.705 9.804 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.514 -5.609 8.833 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.776 -3.894 10.601 1.00 0.00 C ATOM 0 H LEU A 34 -0.267 -5.109 8.858 1.00 0.00 H new ATOM 0 HA LEU A 34 0.713 -3.444 10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.460 -4.310 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.276 -2.889 8.746 1.00 0.00 H new ATOM 0 HG LEU A 34 2.152 -5.299 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.207 -6.238 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.809 -6.239 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.071 -4.995 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.451 -4.573 11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.349 -3.264 9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.259 -3.267 11.328 1.00 0.00 H new ATOM 503 N TYR A 35 -0.713 -1.792 8.443 1.00 0.00 N ATOM 504 CA TYR A 35 -1.310 -0.490 8.138 1.00 0.00 C ATOM 505 C TYR A 35 -2.571 -0.213 8.965 1.00 0.00 C ATOM 506 O TYR A 35 -2.678 0.848 9.569 1.00 0.00 O ATOM 507 CB TYR A 35 -1.608 -0.407 6.646 1.00 0.00 C ATOM 508 CG TYR A 35 -2.294 0.870 6.201 1.00 0.00 C ATOM 509 CD1 TYR A 35 -1.541 2.022 5.900 1.00 0.00 C ATOM 510 CD2 TYR A 35 -3.694 0.892 6.064 1.00 0.00 C ATOM 511 CE1 TYR A 35 -2.182 3.185 5.430 1.00 0.00 C ATOM 512 CE2 TYR A 35 -4.337 2.059 5.614 1.00 0.00 C ATOM 513 CZ TYR A 35 -3.584 3.205 5.279 1.00 0.00 C ATOM 514 OH TYR A 35 -4.208 4.330 4.841 1.00 0.00 O ATOM 0 H TYR A 35 -0.940 -2.522 7.767 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.590 0.281 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.672 -0.509 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.235 -1.254 6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.469 2.013 6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.274 0.013 6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.600 4.061 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.413 2.078 5.524 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.174 4.171 4.793 1.00 0.00 H new ATOM 523 N GLU A 36 -3.505 -1.158 9.071 1.00 0.00 N ATOM 524 CA GLU A 36 -4.707 -1.000 9.899 1.00 0.00 C ATOM 525 C GLU A 36 -4.398 -0.845 11.406 1.00 0.00 C ATOM 526 O GLU A 36 -5.243 -0.344 12.150 1.00 0.00 O ATOM 527 CB GLU A 36 -5.703 -2.142 9.642 1.00 0.00 C ATOM 528 CG GLU A 36 -6.334 -2.068 8.239 1.00 0.00 C ATOM 529 CD GLU A 36 -7.723 -2.738 8.219 1.00 0.00 C ATOM 530 OE1 GLU A 36 -7.812 -3.962 7.959 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.738 -2.040 8.467 1.00 0.00 O ATOM 0 H GLU A 36 -3.453 -2.054 8.587 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.170 -0.062 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.193 -3.098 9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.491 -2.109 10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.425 -1.026 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.680 -2.557 7.517 1.00 0.00 H new ATOM 536 N ASP A 37 -3.191 -1.205 11.865 1.00 0.00 N ATOM 537 CA ASP A 37 -2.676 -0.883 13.202 1.00 0.00 C ATOM 538 C ASP A 37 -2.542 0.635 13.430 1.00 0.00 C ATOM 539 O ASP A 37 -3.144 1.158 14.372 1.00 0.00 O ATOM 540 CB ASP A 37 -1.306 -1.558 13.435 1.00 0.00 C ATOM 541 CG ASP A 37 -1.352 -2.952 14.092 1.00 0.00 C ATOM 542 OD1 ASP A 37 -2.314 -3.270 14.835 1.00 0.00 O ATOM 543 OD2 ASP A 37 -0.362 -3.711 13.946 1.00 0.00 O ATOM 0 H ASP A 37 -2.530 -1.741 11.303 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.404 -1.267 13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.796 -1.645 12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.700 -0.902 14.059 1.00 0.00 H new ATOM 547 N PHE A 38 -1.757 1.346 12.605 1.00 0.00 N ATOM 548 CA PHE A 38 -1.482 2.784 12.794 1.00 0.00 C ATOM 549 C PHE A 38 -0.859 3.486 11.570 1.00 0.00 C ATOM 550 O PHE A 38 -0.138 4.474 11.712 1.00 0.00 O ATOM 551 CB PHE A 38 -0.625 3.002 14.064 1.00 0.00 C ATOM 552 CG PHE A 38 -1.231 4.046 14.988 1.00 0.00 C ATOM 553 CD1 PHE A 38 -1.320 5.397 14.590 1.00 0.00 C ATOM 554 CD2 PHE A 38 -1.797 3.649 16.214 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.985 6.334 15.400 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.453 4.589 17.029 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.550 5.931 16.620 1.00 0.00 C ATOM 0 H PHE A 38 -1.295 0.944 11.789 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.454 3.260 12.921 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.525 2.058 14.600 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.379 3.313 13.775 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.875 5.713 13.658 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.727 2.619 16.530 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.061 7.364 15.084 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.883 4.280 17.970 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.059 6.651 17.244 1.00 0.00 H new ATOM 566 N LEU A 39 -1.116 2.980 10.365 1.00 0.00 N ATOM 567 CA LEU A 39 -0.522 3.407 9.097 1.00 0.00 C ATOM 568 C LEU A 39 1.022 3.433 9.171 1.00 0.00 C ATOM 569 O LEU A 39 1.634 4.457 9.469 1.00 0.00 O ATOM 570 CB LEU A 39 -1.147 4.722 8.561 1.00 0.00 C ATOM 571 CG LEU A 39 -2.667 5.007 8.676 1.00 0.00 C ATOM 572 CD1 LEU A 39 -3.599 3.794 8.658 1.00 0.00 C ATOM 573 CD2 LEU A 39 -3.011 5.817 9.930 1.00 0.00 C ATOM 0 H LEU A 39 -1.782 2.218 10.239 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.772 2.654 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.633 5.543 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.893 4.784 7.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.850 5.568 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.633 4.128 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.471 3.251 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.358 3.138 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.086 5.992 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.703 5.263 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.489 6.773 9.900 1.00 0.00 H new ATOM 584 N PHE A 40 1.657 2.277 8.957 1.00 0.00 N ATOM 585 CA PHE A 40 3.114 2.081 9.037 1.00 0.00 C ATOM 586 C PHE A 40 3.899 2.581 7.786 1.00 0.00 C ATOM 587 O PHE A 40 3.660 2.094 6.678 1.00 0.00 O ATOM 588 CB PHE A 40 3.400 0.594 9.329 1.00 0.00 C ATOM 589 CG PHE A 40 3.289 -0.429 8.199 1.00 0.00 C ATOM 590 CD1 PHE A 40 2.248 -0.414 7.242 1.00 0.00 C ATOM 591 CD2 PHE A 40 4.244 -1.460 8.138 1.00 0.00 C ATOM 592 CE1 PHE A 40 2.202 -1.378 6.218 1.00 0.00 C ATOM 593 CE2 PHE A 40 4.208 -2.415 7.104 1.00 0.00 C ATOM 594 CZ PHE A 40 3.183 -2.377 6.145 1.00 0.00 C ATOM 0 H PHE A 40 1.158 1.421 8.715 1.00 0.00 H new ATOM 0 HA PHE A 40 3.481 2.705 9.852 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.411 0.529 9.731 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.721 0.280 10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.481 0.344 7.298 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.014 -1.520 8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.409 -1.348 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.970 -3.178 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.150 -3.113 5.356 1.00 0.00 H new ATOM 603 N PRO A 41 4.832 3.551 7.899 1.00 0.00 N ATOM 604 CA PRO A 41 5.592 4.069 6.757 1.00 0.00 C ATOM 605 C PRO A 41 6.915 3.317 6.537 1.00 0.00 C ATOM 606 O PRO A 41 7.994 3.814 6.875 1.00 0.00 O ATOM 607 CB PRO A 41 5.782 5.547 7.069 1.00 0.00 C ATOM 608 CG PRO A 41 5.871 5.605 8.589 1.00 0.00 C ATOM 609 CD PRO A 41 5.057 4.398 9.064 1.00 0.00 C ATOM 0 HA PRO A 41 5.067 3.925 5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.686 5.938 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.948 6.142 6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.905 5.546 8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.461 6.538 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.594 3.852 9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.109 4.718 9.497 1.00 0.00 H new ATOM 614 N ILE A 42 6.852 2.096 5.995 1.00 0.00 N ATOM 615 CA ILE A 42 8.061 1.307 5.683 1.00 0.00 C ATOM 616 C ILE A 42 8.670 1.739 4.343 1.00 0.00 C ATOM 617 O ILE A 42 8.031 2.409 3.527 1.00 0.00 O ATOM 618 CB ILE A 42 7.827 -0.227 5.753 1.00 0.00 C ATOM 619 CG1 ILE A 42 7.421 -0.882 4.408 1.00 0.00 C ATOM 620 CG2 ILE A 42 6.879 -0.540 6.906 1.00 0.00 C ATOM 621 CD1 ILE A 42 6.506 -2.110 4.454 1.00 0.00 C ATOM 0 H ILE A 42 5.977 1.627 5.761 1.00 0.00 H new ATOM 0 HA ILE A 42 8.787 1.525 6.466 1.00 0.00 H new ATOM 0 HB ILE A 42 8.788 -0.699 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.929 -0.122 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.335 -1.165 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.712 -1.616 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.318 -0.195 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.928 -0.033 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.310 -2.456 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.992 -2.905 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.565 -1.845 4.935 1.00 0.00 H new ATOM 632 N ASP A 43 9.899 1.303 4.092 1.00 0.00 N ATOM 633 CA ASP A 43 10.560 1.451 2.798 1.00 0.00 C ATOM 634 C ASP A 43 10.364 0.169 1.970 1.00 0.00 C ATOM 635 O ASP A 43 10.645 -0.932 2.454 1.00 0.00 O ATOM 636 CB ASP A 43 12.045 1.741 3.061 1.00 0.00 C ATOM 637 CG ASP A 43 12.842 2.137 1.809 1.00 0.00 C ATOM 638 OD1 ASP A 43 12.290 2.113 0.684 1.00 0.00 O ATOM 639 OD2 ASP A 43 14.043 2.468 1.958 1.00 0.00 O ATOM 0 H ASP A 43 10.473 0.830 4.790 1.00 0.00 H new ATOM 0 HA ASP A 43 10.133 2.274 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.122 2.543 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.503 0.857 3.505 1.00 0.00 H new ATOM 643 N ILE A 44 9.914 0.285 0.715 1.00 0.00 N ATOM 644 CA ILE A 44 9.859 -0.859 -0.208 1.00 0.00 C ATOM 645 C ILE A 44 11.234 -1.513 -0.347 1.00 0.00 C ATOM 646 O ILE A 44 11.312 -2.736 -0.352 1.00 0.00 O ATOM 647 CB ILE A 44 9.289 -0.460 -1.582 1.00 0.00 C ATOM 648 CG1 ILE A 44 7.838 0.044 -1.455 1.00 0.00 C ATOM 649 CG2 ILE A 44 9.383 -1.622 -2.593 1.00 0.00 C ATOM 650 CD1 ILE A 44 6.820 -1.001 -0.988 1.00 0.00 C ATOM 0 H ILE A 44 9.581 1.161 0.313 1.00 0.00 H new ATOM 0 HA ILE A 44 9.176 -1.593 0.220 1.00 0.00 H new ATOM 0 HB ILE A 44 9.899 0.359 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.821 0.881 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.519 0.430 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.972 -1.305 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.427 -1.908 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.817 -2.476 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.831 -0.546 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.798 -1.830 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.105 -1.372 -0.004 1.00 0.00 H new ATOM 661 N SER A 45 12.323 -0.737 -0.374 1.00 0.00 N ATOM 662 CA SER A 45 13.684 -1.289 -0.386 1.00 0.00 C ATOM 663 C SER A 45 13.987 -2.189 0.821 1.00 0.00 C ATOM 664 O SER A 45 14.761 -3.131 0.669 1.00 0.00 O ATOM 665 CB SER A 45 14.728 -0.174 -0.515 1.00 0.00 C ATOM 666 OG SER A 45 14.878 0.177 -1.883 1.00 0.00 O ATOM 0 H SER A 45 12.288 0.282 -0.388 1.00 0.00 H new ATOM 0 HA SER A 45 13.744 -1.930 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.419 0.697 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.683 -0.506 -0.107 1.00 0.00 H new ATOM 0 HG SER A 45 15.544 0.891 -1.966 1.00 0.00 H new ATOM 671 N LEU A 46 13.356 -1.977 1.984 1.00 0.00 N ATOM 672 CA LEU A 46 13.494 -2.858 3.151 1.00 0.00 C ATOM 673 C LEU A 46 12.785 -4.198 2.905 1.00 0.00 C ATOM 674 O LEU A 46 13.436 -5.242 2.888 1.00 0.00 O ATOM 675 CB LEU A 46 12.979 -2.115 4.407 1.00 0.00 C ATOM 676 CG LEU A 46 13.340 -2.726 5.776 1.00 0.00 C ATOM 677 CD1 LEU A 46 12.935 -1.747 6.881 1.00 0.00 C ATOM 678 CD2 LEU A 46 12.629 -4.048 6.074 1.00 0.00 C ATOM 0 H LEU A 46 12.732 -1.185 2.142 1.00 0.00 H new ATOM 0 HA LEU A 46 14.543 -3.103 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.363 -1.095 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.893 -2.049 4.341 1.00 0.00 H new ATOM 0 HG LEU A 46 14.413 -2.917 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.187 -2.171 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.468 -0.806 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.861 -1.566 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.936 -4.413 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.550 -3.891 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.894 -4.783 5.314 1.00 0.00 H new ATOM 689 N VAL A 47 11.470 -4.188 2.662 1.00 0.00 N ATOM 690 CA VAL A 47 10.706 -5.429 2.428 1.00 0.00 C ATOM 691 C VAL A 47 11.150 -6.181 1.170 1.00 0.00 C ATOM 692 O VAL A 47 11.147 -7.408 1.174 1.00 0.00 O ATOM 693 CB VAL A 47 9.189 -5.197 2.380 1.00 0.00 C ATOM 694 CG1 VAL A 47 8.623 -4.893 3.772 1.00 0.00 C ATOM 695 CG2 VAL A 47 8.791 -4.078 1.419 1.00 0.00 C ATOM 0 H VAL A 47 10.908 -3.338 2.621 1.00 0.00 H new ATOM 0 HA VAL A 47 10.931 -6.053 3.293 1.00 0.00 H new ATOM 0 HB VAL A 47 8.761 -6.128 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.547 -4.734 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.822 -5.733 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.097 -3.995 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.707 -3.960 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.260 -3.145 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.121 -4.330 0.411 1.00 0.00 H new ATOM 705 N LYS A 48 11.594 -5.479 0.121 1.00 0.00 N ATOM 706 CA LYS A 48 12.189 -6.061 -1.091 1.00 0.00 C ATOM 707 C LYS A 48 13.471 -6.831 -0.770 1.00 0.00 C ATOM 708 O LYS A 48 13.596 -7.981 -1.190 1.00 0.00 O ATOM 709 CB LYS A 48 12.440 -4.936 -2.111 1.00 0.00 C ATOM 710 CG LYS A 48 13.060 -5.411 -3.438 1.00 0.00 C ATOM 711 CD LYS A 48 14.255 -4.556 -3.883 1.00 0.00 C ATOM 712 CE LYS A 48 13.822 -3.172 -4.385 1.00 0.00 C ATOM 713 NZ LYS A 48 14.957 -2.448 -5.018 1.00 0.00 N ATOM 0 H LYS A 48 11.549 -4.460 0.090 1.00 0.00 H new ATOM 0 HA LYS A 48 11.497 -6.784 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.495 -4.436 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.099 -4.194 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.381 -6.447 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.297 -5.392 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.946 -4.438 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.796 -5.075 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.011 -3.281 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.433 -2.586 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.634 -1.516 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.721 -2.324 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.311 -2.997 -5.827 1.00 0.00 H new ATOM 723 N ARG A 49 14.392 -6.233 -0.001 1.00 0.00 N ATOM 724 CA ARG A 49 15.629 -6.889 0.474 1.00 0.00 C ATOM 725 C ARG A 49 15.337 -8.088 1.381 1.00 0.00 C ATOM 726 O ARG A 49 16.002 -9.115 1.261 1.00 0.00 O ATOM 727 CB ARG A 49 16.535 -5.863 1.186 1.00 0.00 C ATOM 728 CG ARG A 49 17.309 -4.998 0.173 1.00 0.00 C ATOM 729 CD ARG A 49 17.801 -3.659 0.747 1.00 0.00 C ATOM 730 NE ARG A 49 19.170 -3.705 1.305 1.00 0.00 N ATOM 731 CZ ARG A 49 19.898 -2.647 1.635 1.00 0.00 C ATOM 732 NH1 ARG A 49 19.432 -1.433 1.536 1.00 0.00 N ATOM 733 NH2 ARG A 49 21.117 -2.781 2.074 1.00 0.00 N ATOM 0 H ARG A 49 14.302 -5.267 0.315 1.00 0.00 H new ATOM 0 HA ARG A 49 16.154 -7.277 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.928 -5.222 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.239 -6.385 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.167 -5.563 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.668 -4.801 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.766 -2.905 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.113 -3.337 1.528 1.00 0.00 H new ATOM 0 HE ARG A 49 19.588 -4.625 1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.483 -1.277 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.017 -0.639 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.526 -3.711 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.663 -1.956 2.323 1.00 0.00 H new ATOM 744 N GLU A 50 14.332 -7.984 2.252 1.00 0.00 N ATOM 745 CA GLU A 50 13.903 -9.085 3.129 1.00 0.00 C ATOM 746 C GLU A 50 13.212 -10.232 2.372 1.00 0.00 C ATOM 747 O GLU A 50 13.423 -11.395 2.726 1.00 0.00 O ATOM 748 CB GLU A 50 12.966 -8.561 4.230 1.00 0.00 C ATOM 749 CG GLU A 50 13.650 -7.664 5.272 1.00 0.00 C ATOM 750 CD GLU A 50 14.452 -8.461 6.323 1.00 0.00 C ATOM 751 OE1 GLU A 50 15.467 -9.109 5.970 1.00 0.00 O ATOM 752 OE2 GLU A 50 14.083 -8.432 7.522 1.00 0.00 O ATOM 0 H GLU A 50 13.787 -7.130 2.373 1.00 0.00 H new ATOM 0 HA GLU A 50 14.813 -9.492 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.155 -8.002 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.515 -9.411 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.319 -6.970 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.894 -7.064 5.779 1.00 0.00 H new ATOM 757 N HIS A 51 12.421 -9.942 1.330 1.00 0.00 N ATOM 758 CA HIS A 51 11.872 -10.968 0.441 1.00 0.00 C ATOM 759 C HIS A 51 12.969 -11.552 -0.466 1.00 0.00 C ATOM 760 O HIS A 51 13.425 -12.667 -0.219 1.00 0.00 O ATOM 761 CB HIS A 51 10.665 -10.436 -0.370 1.00 0.00 C ATOM 762 CG HIS A 51 9.334 -10.974 0.099 1.00 0.00 C ATOM 763 ND1 HIS A 51 8.202 -10.246 0.393 1.00 0.00 N ATOM 764 CD2 HIS A 51 9.011 -12.296 0.260 1.00 0.00 C ATOM 765 CE1 HIS A 51 7.227 -11.109 0.730 1.00 0.00 C ATOM 766 NE2 HIS A 51 7.678 -12.376 0.675 1.00 0.00 N ATOM 0 H HIS A 51 12.146 -8.992 1.082 1.00 0.00 H new ATOM 0 HA HIS A 51 11.495 -11.781 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.649 -9.348 -0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.802 -10.694 -1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.673 -13.133 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.222 -10.825 1.006 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.153 -13.223 0.892 1.00 0.00 H new ATOM 774 N ASP A 52 13.395 -10.812 -1.499 1.00 0.00 N ATOM 775 CA ASP A 52 14.337 -11.239 -2.554 1.00 0.00 C ATOM 776 C ASP A 52 14.125 -12.702 -3.030 1.00 0.00 C ATOM 777 O ASP A 52 15.071 -13.446 -3.302 1.00 0.00 O ATOM 778 CB ASP A 52 15.764 -10.907 -2.081 1.00 0.00 C ATOM 779 CG ASP A 52 16.834 -11.093 -3.172 1.00 0.00 C ATOM 780 OD1 ASP A 52 16.642 -10.590 -4.307 1.00 0.00 O ATOM 781 OD2 ASP A 52 17.899 -11.692 -2.886 1.00 0.00 O ATOM 0 H ASP A 52 13.079 -9.851 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 52 14.142 -10.679 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.791 -9.875 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.012 -11.540 -1.229 1.00 0.00 H new ATOM 785 N PHE A 53 12.856 -13.128 -3.083 1.00 0.00 N ATOM 786 CA PHE A 53 12.428 -14.530 -3.214 1.00 0.00 C ATOM 787 C PHE A 53 11.326 -14.695 -4.270 1.00 0.00 C ATOM 788 O PHE A 53 11.412 -15.564 -5.141 1.00 0.00 O ATOM 789 CB PHE A 53 11.910 -15.016 -1.847 1.00 0.00 C ATOM 790 CG PHE A 53 11.272 -16.393 -1.883 1.00 0.00 C ATOM 791 CD1 PHE A 53 12.089 -17.537 -1.916 1.00 0.00 C ATOM 792 CD2 PHE A 53 9.870 -16.533 -1.932 1.00 0.00 C ATOM 793 CE1 PHE A 53 11.512 -18.815 -2.014 1.00 0.00 C ATOM 794 CE2 PHE A 53 9.292 -17.812 -2.036 1.00 0.00 C ATOM 795 CZ PHE A 53 10.113 -18.954 -2.080 1.00 0.00 C ATOM 0 H PHE A 53 12.068 -12.482 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 53 13.283 -15.123 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 53 12.739 -15.029 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.181 -14.299 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 53 13.163 -17.433 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.239 -15.658 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.143 -19.691 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.218 -17.917 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.670 -19.935 -2.164 1.00 0.00 H new ATOM 804 N LEU A 54 10.305 -13.835 -4.200 1.00 0.00 N ATOM 805 CA LEU A 54 9.261 -13.697 -5.214 1.00 0.00 C ATOM 806 C LEU A 54 9.835 -13.072 -6.506 1.00 0.00 C ATOM 807 O LEU A 54 10.963 -12.568 -6.527 1.00 0.00 O ATOM 808 CB LEU A 54 8.127 -12.816 -4.658 1.00 0.00 C ATOM 809 CG LEU A 54 7.591 -13.129 -3.251 1.00 0.00 C ATOM 810 CD1 LEU A 54 6.749 -11.947 -2.773 1.00 0.00 C ATOM 811 CD2 LEU A 54 6.725 -14.390 -3.230 1.00 0.00 C ATOM 0 H LEU A 54 10.181 -13.199 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 54 8.870 -14.685 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.475 -11.783 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.290 -12.871 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 54 8.446 -13.299 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.362 -12.156 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.366 -11.049 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.917 -11.792 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.369 -14.570 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.872 -14.257 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.316 -15.243 -3.564 1.00 0.00 H new ATOM 822 N ASP A 55 9.051 -13.055 -7.584 1.00 0.00 N ATOM 823 CA ASP A 55 9.406 -12.345 -8.821 1.00 0.00 C ATOM 824 C ASP A 55 9.522 -10.817 -8.622 1.00 0.00 C ATOM 825 O ASP A 55 8.880 -10.235 -7.742 1.00 0.00 O ATOM 826 CB ASP A 55 8.352 -12.647 -9.897 1.00 0.00 C ATOM 827 CG ASP A 55 8.318 -14.136 -10.282 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.150 -14.564 -11.118 1.00 0.00 O ATOM 829 OD2 ASP A 55 7.454 -14.880 -9.757 1.00 0.00 O ATOM 0 H ASP A 55 8.151 -13.532 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 55 10.388 -12.701 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.369 -12.346 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.561 -12.050 -10.784 1.00 0.00 H new ATOM 833 N ARG A 56 10.261 -10.136 -9.511 1.00 0.00 N ATOM 834 CA ARG A 56 10.240 -8.661 -9.613 1.00 0.00 C ATOM 835 C ARG A 56 8.823 -8.100 -9.784 1.00 0.00 C ATOM 836 O ARG A 56 8.487 -7.078 -9.195 1.00 0.00 O ATOM 837 CB ARG A 56 11.174 -8.180 -10.742 1.00 0.00 C ATOM 838 CG ARG A 56 10.825 -8.749 -12.137 1.00 0.00 C ATOM 839 CD ARG A 56 11.940 -9.622 -12.723 1.00 0.00 C ATOM 840 NE ARG A 56 11.391 -10.619 -13.666 1.00 0.00 N ATOM 841 CZ ARG A 56 12.055 -11.603 -14.246 1.00 0.00 C ATOM 842 NH1 ARG A 56 13.346 -11.727 -14.130 1.00 0.00 N ATOM 843 NH2 ARG A 56 11.421 -12.495 -14.955 1.00 0.00 N ATOM 0 H ARG A 56 10.888 -10.585 -10.178 1.00 0.00 H new ATOM 0 HA ARG A 56 10.612 -8.270 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.141 -7.091 -10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.198 -8.458 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.910 -9.337 -12.065 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.620 -7.924 -12.819 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.668 -8.993 -13.236 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.470 -10.131 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 56 10.399 -10.539 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.876 -11.052 -13.578 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.828 -12.499 -14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.409 -12.435 -15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.937 -13.253 -15.401 1.00 0.00 H new ATOM 854 N ASP A 57 7.971 -8.804 -10.534 1.00 0.00 N ATOM 855 CA ASP A 57 6.563 -8.457 -10.733 1.00 0.00 C ATOM 856 C ASP A 57 5.739 -8.637 -9.456 1.00 0.00 C ATOM 857 O ASP A 57 4.838 -7.845 -9.199 1.00 0.00 O ATOM 858 CB ASP A 57 5.960 -9.318 -11.857 1.00 0.00 C ATOM 859 CG ASP A 57 5.553 -8.471 -13.073 1.00 0.00 C ATOM 860 OD1 ASP A 57 4.615 -7.646 -12.956 1.00 0.00 O ATOM 861 OD2 ASP A 57 6.163 -8.638 -14.155 1.00 0.00 O ATOM 0 H ASP A 57 8.248 -9.651 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 57 6.526 -7.403 -11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.685 -10.071 -12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.088 -9.851 -11.478 1.00 0.00 H new ATOM 865 N ALA A 58 6.058 -9.640 -8.632 1.00 0.00 N ATOM 866 CA ALA A 58 5.433 -9.804 -7.327 1.00 0.00 C ATOM 867 C ALA A 58 5.830 -8.664 -6.382 1.00 0.00 C ATOM 868 O ALA A 58 4.952 -8.115 -5.722 1.00 0.00 O ATOM 869 CB ALA A 58 5.807 -11.162 -6.744 1.00 0.00 C ATOM 0 H ALA A 58 6.752 -10.354 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 58 4.350 -9.764 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.337 -11.281 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.462 -11.952 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.890 -11.226 -6.636 1.00 0.00 H new ATOM 875 N ILE A 59 7.107 -8.248 -6.352 1.00 0.00 N ATOM 876 CA ILE A 59 7.493 -7.055 -5.592 1.00 0.00 C ATOM 877 C ILE A 59 6.833 -5.794 -6.147 1.00 0.00 C ATOM 878 O ILE A 59 6.366 -5.010 -5.344 1.00 0.00 O ATOM 879 CB ILE A 59 9.026 -6.908 -5.393 1.00 0.00 C ATOM 880 CG1 ILE A 59 9.390 -7.064 -3.895 1.00 0.00 C ATOM 881 CG2 ILE A 59 9.630 -5.599 -5.945 1.00 0.00 C ATOM 882 CD1 ILE A 59 8.829 -6.004 -2.926 1.00 0.00 C ATOM 0 H ILE A 59 7.875 -8.713 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 59 7.103 -7.197 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 59 9.469 -7.710 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.046 -8.043 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.477 -7.062 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.704 -5.587 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.446 -5.537 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.167 -4.747 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.157 -6.229 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.193 -5.018 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.740 -6.015 -2.966 1.00 0.00 H new ATOM 893 N GLU A 60 6.723 -5.590 -7.465 1.00 0.00 N ATOM 894 CA GLU A 60 6.032 -4.418 -8.033 1.00 0.00 C ATOM 895 C GLU A 60 4.519 -4.423 -7.751 1.00 0.00 C ATOM 896 O GLU A 60 3.950 -3.381 -7.420 1.00 0.00 O ATOM 897 CB GLU A 60 6.300 -4.298 -9.543 1.00 0.00 C ATOM 898 CG GLU A 60 7.697 -3.719 -9.842 1.00 0.00 C ATOM 899 CD GLU A 60 7.646 -2.547 -10.845 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.011 -1.506 -10.542 1.00 0.00 O ATOM 901 OE2 GLU A 60 8.264 -2.642 -11.933 1.00 0.00 O ATOM 0 H GLU A 60 7.106 -6.225 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 60 6.445 -3.543 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.209 -5.281 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.540 -3.661 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.153 -3.378 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.336 -4.507 -10.240 1.00 0.00 H new ATOM 906 N ALA A 61 3.865 -5.585 -7.817 1.00 0.00 N ATOM 907 CA ALA A 61 2.452 -5.755 -7.490 1.00 0.00 C ATOM 908 C ALA A 61 2.177 -5.546 -5.991 1.00 0.00 C ATOM 909 O ALA A 61 1.248 -4.829 -5.625 1.00 0.00 O ATOM 910 CB ALA A 61 2.033 -7.157 -7.942 1.00 0.00 C ATOM 0 H ALA A 61 4.316 -6.453 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 61 1.864 -4.998 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.980 -7.314 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.187 -7.254 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.634 -7.902 -7.421 1.00 0.00 H new ATOM 916 N LEU A 62 3.009 -6.126 -5.119 1.00 0.00 N ATOM 917 CA LEU A 62 2.928 -5.937 -3.673 1.00 0.00 C ATOM 918 C LEU A 62 3.258 -4.482 -3.319 1.00 0.00 C ATOM 919 O LEU A 62 2.467 -3.826 -2.646 1.00 0.00 O ATOM 920 CB LEU A 62 3.867 -6.954 -2.996 1.00 0.00 C ATOM 921 CG LEU A 62 3.622 -7.303 -1.517 1.00 0.00 C ATOM 922 CD1 LEU A 62 4.963 -7.696 -0.893 1.00 0.00 C ATOM 923 CD2 LEU A 62 3.009 -6.195 -0.679 1.00 0.00 C ATOM 0 H LEU A 62 3.766 -6.747 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 62 1.918 -6.120 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.821 -7.881 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.885 -6.576 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 62 2.892 -8.112 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.816 -7.948 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.370 -8.559 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.659 -6.861 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.878 -6.544 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.668 -5.327 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.040 -5.918 -1.095 1.00 0.00 H new ATOM 934 N CYS A 63 4.357 -3.939 -3.850 1.00 0.00 N ATOM 935 CA CYS A 63 4.732 -2.530 -3.772 1.00 0.00 C ATOM 936 C CYS A 63 3.592 -1.611 -4.198 1.00 0.00 C ATOM 937 O CYS A 63 3.403 -0.604 -3.542 1.00 0.00 O ATOM 938 CB CYS A 63 5.994 -2.267 -4.608 1.00 0.00 C ATOM 939 SG CYS A 63 6.376 -0.495 -4.760 1.00 0.00 S ATOM 0 H CYS A 63 5.037 -4.496 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 63 4.950 -2.302 -2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.841 -2.780 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.862 -2.693 -5.603 1.00 0.00 H new ATOM 0 HG CYS A 63 7.451 -0.343 -5.474 1.00 0.00 H new ATOM 944 N ARG A 64 2.771 -1.941 -5.202 1.00 0.00 N ATOM 945 CA ARG A 64 1.612 -1.109 -5.564 1.00 0.00 C ATOM 946 C ARG A 64 0.713 -0.806 -4.361 1.00 0.00 C ATOM 947 O ARG A 64 0.426 0.363 -4.093 1.00 0.00 O ATOM 948 CB ARG A 64 0.820 -1.747 -6.712 1.00 0.00 C ATOM 949 CG ARG A 64 -0.297 -0.802 -7.176 1.00 0.00 C ATOM 950 CD ARG A 64 -0.336 -0.660 -8.697 1.00 0.00 C ATOM 951 NE ARG A 64 -1.262 0.420 -9.081 1.00 0.00 N ATOM 952 CZ ARG A 64 -2.582 0.384 -9.048 1.00 0.00 C ATOM 953 NH1 ARG A 64 -3.246 -0.710 -8.804 1.00 0.00 N ATOM 954 NH2 ARG A 64 -3.266 1.472 -9.253 1.00 0.00 N ATOM 0 H ARG A 64 2.885 -2.775 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 64 1.998 -0.150 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.488 -1.969 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.392 -2.695 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.258 -1.176 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.152 0.179 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.663 -0.445 -9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.653 -1.600 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.838 1.289 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.746 -1.582 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.266 -0.695 -8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.783 2.351 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.285 1.446 -9.228 1.00 0.00 H new ATOM 965 N ARG A 65 0.320 -1.837 -3.606 1.00 0.00 N ATOM 966 CA ARG A 65 -0.439 -1.659 -2.362 1.00 0.00 C ATOM 967 C ARG A 65 0.438 -1.173 -1.220 1.00 0.00 C ATOM 968 O ARG A 65 0.097 -0.169 -0.611 1.00 0.00 O ATOM 969 CB ARG A 65 -1.167 -2.942 -1.951 1.00 0.00 C ATOM 970 CG ARG A 65 -2.357 -3.296 -2.846 1.00 0.00 C ATOM 971 CD ARG A 65 -3.376 -2.151 -2.966 1.00 0.00 C ATOM 972 NE ARG A 65 -4.713 -2.638 -3.351 1.00 0.00 N ATOM 973 CZ ARG A 65 -5.188 -2.817 -4.568 1.00 0.00 C ATOM 974 NH1 ARG A 65 -4.466 -2.658 -5.641 1.00 0.00 N ATOM 975 NH2 ARG A 65 -6.427 -3.178 -4.722 1.00 0.00 N ATOM 0 H ARG A 65 0.517 -2.811 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.183 -0.890 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.458 -3.770 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.517 -2.836 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.993 -3.557 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.856 -4.179 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.443 -1.624 -2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.026 -1.431 -3.705 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.347 -2.864 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.487 -2.383 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.880 -2.809 -6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.022 -3.320 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.804 -3.319 -5.659 1.00 0.00 H new ATOM 986 N LEU A 66 1.567 -1.814 -0.933 1.00 0.00 N ATOM 987 CA LEU A 66 2.431 -1.410 0.175 1.00 0.00 C ATOM 988 C LEU A 66 2.872 0.050 0.061 1.00 0.00 C ATOM 989 O LEU A 66 2.743 0.763 1.036 1.00 0.00 O ATOM 990 CB LEU A 66 3.611 -2.376 0.329 1.00 0.00 C ATOM 991 CG LEU A 66 3.773 -2.963 1.739 1.00 0.00 C ATOM 992 CD1 LEU A 66 2.572 -3.759 2.226 1.00 0.00 C ATOM 993 CD2 LEU A 66 4.965 -3.911 1.720 1.00 0.00 C ATOM 0 H LEU A 66 1.908 -2.621 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 66 1.845 -1.470 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.489 -3.195 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.529 -1.854 0.059 1.00 0.00 H new ATOM 0 HG LEU A 66 3.898 -2.117 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.769 -4.138 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.693 -3.115 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.392 -4.596 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.102 -4.343 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.784 -4.708 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.862 -3.361 1.436 1.00 0.00 H new ATOM 1004 N ASN A 67 3.261 0.551 -1.114 1.00 0.00 N ATOM 1005 CA ASN A 67 3.447 1.979 -1.382 1.00 0.00 C ATOM 1006 C ASN A 67 2.202 2.786 -1.027 1.00 0.00 C ATOM 1007 O ASN A 67 2.333 3.784 -0.340 1.00 0.00 O ATOM 1008 CB ASN A 67 3.831 2.221 -2.850 1.00 0.00 C ATOM 1009 CG ASN A 67 3.884 3.697 -3.202 1.00 0.00 C ATOM 1010 OD1 ASN A 67 4.836 4.405 -2.907 1.00 0.00 O ATOM 1011 ND2 ASN A 67 2.847 4.202 -3.835 1.00 0.00 N ATOM 0 H ASN A 67 3.460 -0.038 -1.923 1.00 0.00 H new ATOM 0 HA ASN A 67 4.264 2.319 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.803 1.769 -3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.110 1.722 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.833 5.191 -4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.057 3.604 -4.077 1.00 0.00 H new ATOM 1017 N THR A 68 1.006 2.369 -1.449 1.00 0.00 N ATOM 1018 CA THR A 68 -0.253 3.024 -1.063 1.00 0.00 C ATOM 1019 C THR A 68 -0.414 3.130 0.460 1.00 0.00 C ATOM 1020 O THR A 68 -0.748 4.203 0.966 1.00 0.00 O ATOM 1021 CB THR A 68 -1.453 2.357 -1.773 1.00 0.00 C ATOM 1022 OG1 THR A 68 -2.116 3.343 -2.522 1.00 0.00 O ATOM 1023 CG2 THR A 68 -2.516 1.682 -0.907 1.00 0.00 C ATOM 0 H THR A 68 0.880 1.568 -2.068 1.00 0.00 H new ATOM 0 HA THR A 68 -0.221 4.057 -1.409 1.00 0.00 H new ATOM 0 HB THR A 68 -0.997 1.551 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.779 2.919 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.292 1.261 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.056 0.886 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.959 2.417 -0.235 1.00 0.00 H new ATOM 1031 N LEU A 69 -0.082 2.072 1.207 1.00 0.00 N ATOM 1032 CA LEU A 69 -0.083 2.086 2.668 1.00 0.00 C ATOM 1033 C LEU A 69 1.039 2.958 3.252 1.00 0.00 C ATOM 1034 O LEU A 69 0.766 3.852 4.042 1.00 0.00 O ATOM 1035 CB LEU A 69 0.017 0.642 3.204 1.00 0.00 C ATOM 1036 CG LEU A 69 -1.223 -0.278 3.106 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -2.549 0.432 2.838 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -1.060 -1.419 2.113 1.00 0.00 C ATOM 0 H LEU A 69 0.197 1.176 0.808 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.024 2.532 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.835 0.150 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.303 0.699 4.254 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.277 -0.686 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.352 -0.303 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.753 1.138 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.489 0.969 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.968 -2.021 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.878 -1.012 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.216 -2.042 2.410 1.00 0.00 H new ATOM 1049 N ASN A 70 2.287 2.749 2.832 1.00 0.00 N ATOM 1050 CA ASN A 70 3.486 3.475 3.265 1.00 0.00 C ATOM 1051 C ASN A 70 3.394 4.983 2.962 1.00 0.00 C ATOM 1052 O ASN A 70 3.901 5.811 3.719 1.00 0.00 O ATOM 1053 CB ASN A 70 4.731 2.884 2.571 1.00 0.00 C ATOM 1054 CG ASN A 70 4.942 1.392 2.778 1.00 0.00 C ATOM 1055 OD1 ASN A 70 4.523 0.794 3.757 1.00 0.00 O ATOM 1056 ND2 ASN A 70 5.596 0.739 1.838 1.00 0.00 N ATOM 0 H ASN A 70 2.503 2.029 2.142 1.00 0.00 H new ATOM 0 HA ASN A 70 3.567 3.359 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.658 3.079 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.613 3.413 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.752 -0.265 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.946 1.238 1.020 1.00 0.00 H new ATOM 1062 N LYS A 71 2.711 5.341 1.870 1.00 0.00 N ATOM 1063 CA LYS A 71 2.393 6.706 1.452 1.00 0.00 C ATOM 1064 C LYS A 71 1.282 7.285 2.316 1.00 0.00 C ATOM 1065 O LYS A 71 1.532 8.282 2.976 1.00 0.00 O ATOM 1066 CB LYS A 71 2.063 6.717 -0.045 1.00 0.00 C ATOM 1067 CG LYS A 71 1.744 8.115 -0.590 1.00 0.00 C ATOM 1068 CD LYS A 71 2.039 8.216 -2.095 1.00 0.00 C ATOM 1069 CE LYS A 71 3.539 8.469 -2.316 1.00 0.00 C ATOM 1070 NZ LYS A 71 3.897 8.498 -3.758 1.00 0.00 N ATOM 0 H LYS A 71 2.346 4.646 1.219 1.00 0.00 H new ATOM 0 HA LYS A 71 3.257 7.354 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.906 6.304 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.211 6.062 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.695 8.346 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.332 8.859 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.738 7.296 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.456 9.024 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.818 9.417 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.115 7.690 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.917 8.671 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.656 7.585 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.368 9.258 -4.232 1.00 0.00 H new ATOM 1080 N CYS A 72 0.130 6.630 2.453 1.00 0.00 N ATOM 1081 CA CYS A 72 -0.902 7.032 3.420 1.00 0.00 C ATOM 1082 C CYS A 72 -0.464 6.913 4.904 1.00 0.00 C ATOM 1083 O CYS A 72 -1.225 7.274 5.799 1.00 0.00 O ATOM 1084 CB CYS A 72 -2.201 6.269 3.133 1.00 0.00 C ATOM 1085 SG CYS A 72 -2.964 6.901 1.604 1.00 0.00 S ATOM 0 H CYS A 72 -0.118 5.809 1.901 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.075 8.099 3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.993 5.204 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.892 6.382 3.968 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.063 6.249 1.366 1.00 0.00 H new ATOM 1090 N ALA A 73 0.762 6.453 5.175 1.00 0.00 N ATOM 1091 CA ALA A 73 1.407 6.411 6.480 1.00 0.00 C ATOM 1092 C ALA A 73 2.380 7.579 6.738 1.00 0.00 C ATOM 1093 O ALA A 73 2.583 7.953 7.893 1.00 0.00 O ATOM 1094 CB ALA A 73 2.143 5.083 6.550 1.00 0.00 C ATOM 0 H ALA A 73 1.362 6.079 4.440 1.00 0.00 H new ATOM 0 HA ALA A 73 0.645 6.510 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.648 4.997 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.430 4.266 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.880 5.033 5.748 1.00 0.00 H new ATOM 1100 N VAL A 74 2.956 8.189 5.692 1.00 0.00 N ATOM 1101 CA VAL A 74 3.674 9.480 5.801 1.00 0.00 C ATOM 1102 C VAL A 74 2.752 10.671 5.513 1.00 0.00 C ATOM 1103 O VAL A 74 2.873 11.725 6.137 1.00 0.00 O ATOM 1104 CB VAL A 74 4.932 9.551 4.905 1.00 0.00 C ATOM 1105 CG1 VAL A 74 5.990 8.533 5.336 1.00 0.00 C ATOM 1106 CG2 VAL A 74 4.663 9.324 3.413 1.00 0.00 C ATOM 0 H VAL A 74 2.941 7.807 4.746 1.00 0.00 H new ATOM 0 HA VAL A 74 4.009 9.540 6.836 1.00 0.00 H new ATOM 0 HB VAL A 74 5.286 10.573 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.859 8.613 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.289 8.733 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.576 7.527 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.600 9.391 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.226 8.336 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.971 10.083 3.048 1.00 0.00 H new ATOM 1116 N MET A 75 1.774 10.482 4.625 1.00 0.00 N ATOM 1117 CA MET A 75 0.747 11.447 4.223 1.00 0.00 C ATOM 1118 C MET A 75 -0.488 11.361 5.143 1.00 0.00 C ATOM 1119 O MET A 75 -1.628 11.257 4.679 1.00 0.00 O ATOM 1120 CB MET A 75 0.400 11.287 2.730 1.00 0.00 C ATOM 1121 CG MET A 75 1.646 11.304 1.831 1.00 0.00 C ATOM 1122 SD MET A 75 1.417 12.064 0.202 1.00 0.00 S ATOM 1123 CE MET A 75 2.402 13.564 0.469 1.00 0.00 C ATOM 0 H MET A 75 1.671 9.593 4.135 1.00 0.00 H new ATOM 0 HA MET A 75 1.147 12.454 4.344 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.137 10.350 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.273 12.090 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.442 11.835 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.986 10.278 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.386 14.175 -0.433 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.982 14.132 1.299 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.430 13.287 0.702 1.00 0.00 H new ATOM 1131 N LYS A 76 -0.226 11.401 6.460 1.00 0.00 N ATOM 1132 CA LYS A 76 -1.187 11.517 7.575 1.00 0.00 C ATOM 1133 C LYS A 76 -2.022 10.250 7.836 1.00 0.00 C ATOM 1134 O LYS A 76 -3.231 10.203 7.500 1.00 0.00 O ATOM 1135 CB LYS A 76 -1.978 12.825 7.403 1.00 0.00 C ATOM 1136 CG LYS A 76 -2.663 13.311 8.687 1.00 0.00 C ATOM 1137 CD LYS A 76 -2.717 14.847 8.685 1.00 0.00 C ATOM 1138 CE LYS A 76 -3.629 15.432 9.772 1.00 0.00 C ATOM 1139 NZ LYS A 76 -3.178 15.086 11.146 1.00 0.00 N ATOM 1140 OXT LYS A 76 -1.451 9.323 8.447 1.00 0.00 O ATOM 0 H LYS A 76 0.734 11.349 6.801 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.640 11.586 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.302 13.603 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.734 12.682 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.671 12.901 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.117 12.956 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.708 15.238 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.063 15.189 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.663 16.516 9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.645 15.066 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.828 15.506 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.171 14.052 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.219 15.458 11.301 1.00 0.00 H new TER 1150 LYS A 76