USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -0.802 K(o=-5.1,f=-5.6) USER MOD Set 1.2: A 69 MET CE :methyl 139:sc= -4.29 (180deg=-7.98!) USER MOD Single : A 1 GLU N :NH3+ -162:sc=-0.00529 (180deg=-0.183) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 26:sc= 0.0487 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.179 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.155 USER MOD Single : A 32 TYR OH : rot 110:sc= -0.972 USER MOD Single : A 33 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 162:sc= 0.403 USER MOD Single : A 37 ASN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.0699 (180deg=-0.365) USER MOD Single : A 47 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.53) USER MOD Single : A 48 MET CE :methyl -162:sc= -0.0712 (180deg=-0.304) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.05) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 42:sc= 0.241 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -11.968 -11.442 -11.926 1.00 0.00 N ATOM 2 CA GLU A 1 -10.710 -12.112 -12.352 1.00 0.00 C ATOM 3 C GLU A 1 -9.988 -11.301 -13.422 1.00 0.00 C ATOM 4 O GLU A 1 -10.552 -10.997 -14.472 1.00 0.00 O ATOM 5 CB GLU A 1 -11.057 -13.502 -12.887 1.00 0.00 C ATOM 6 CG GLU A 1 -11.450 -14.492 -11.803 1.00 0.00 C ATOM 7 CD GLU A 1 -12.137 -15.723 -12.359 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.427 -16.674 -12.752 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.386 -15.739 -12.401 1.00 0.00 O ATOM 0 H1 GLU A 1 -12.277 -11.832 -11.013 1.00 0.00 H new ATOM 0 H2 GLU A 1 -11.801 -10.420 -11.828 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.707 -11.605 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 1 -10.040 -12.194 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -11.876 -13.413 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.200 -13.896 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.559 -14.795 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.113 -14.001 -11.091 1.00 0.00 H new ATOM 18 N SER A 2 -8.735 -10.952 -13.147 1.00 0.00 N ATOM 19 CA SER A 2 -7.934 -10.175 -14.086 1.00 0.00 C ATOM 20 C SER A 2 -6.748 -10.991 -14.594 1.00 0.00 C ATOM 21 O SER A 2 -6.089 -11.690 -13.827 1.00 0.00 O ATOM 22 CB SER A 2 -7.436 -8.890 -13.422 1.00 0.00 C ATOM 23 OG SER A 2 -8.369 -7.837 -13.583 1.00 0.00 O ATOM 0 H SER A 2 -8.253 -11.195 -12.282 1.00 0.00 H new ATOM 0 HA SER A 2 -8.565 -9.916 -14.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.265 -9.069 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.479 -8.601 -13.855 1.00 0.00 H new ATOM 0 HG SER A 2 -8.027 -7.028 -13.148 1.00 0.00 H new ATOM 29 N LYS A 3 -6.486 -10.894 -15.893 1.00 0.00 N ATOM 30 CA LYS A 3 -5.379 -11.623 -16.504 1.00 0.00 C ATOM 31 C LYS A 3 -4.118 -10.767 -16.540 1.00 0.00 C ATOM 32 O LYS A 3 -3.953 -9.925 -17.424 1.00 0.00 O ATOM 33 CB LYS A 3 -5.754 -12.067 -17.921 1.00 0.00 C ATOM 34 CG LYS A 3 -6.185 -13.521 -18.009 1.00 0.00 C ATOM 35 CD LYS A 3 -4.988 -14.451 -18.125 1.00 0.00 C ATOM 36 CE LYS A 3 -5.361 -15.760 -18.801 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.916 -15.799 -20.221 1.00 0.00 N ATOM 0 H LYS A 3 -7.023 -10.319 -16.542 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.177 -12.506 -15.897 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.562 -11.434 -18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.900 -11.909 -18.580 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.767 -13.783 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.837 -13.657 -18.872 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.198 -13.959 -18.693 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.587 -14.655 -17.132 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.911 -16.590 -18.257 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.441 -15.897 -18.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.190 -16.708 -20.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.365 -15.022 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.882 -15.694 -20.264 1.00 0.00 H new ATOM 51 N LYS A 4 -3.231 -10.988 -15.576 1.00 0.00 N ATOM 52 CA LYS A 4 -1.983 -10.238 -15.497 1.00 0.00 C ATOM 53 C LYS A 4 -0.991 -10.930 -14.568 1.00 0.00 C ATOM 54 O LYS A 4 -1.151 -10.911 -13.348 1.00 0.00 O ATOM 55 CB LYS A 4 -2.253 -8.811 -15.010 1.00 0.00 C ATOM 56 CG LYS A 4 -2.056 -7.754 -16.087 1.00 0.00 C ATOM 57 CD LYS A 4 -1.045 -6.701 -15.659 1.00 0.00 C ATOM 58 CE LYS A 4 -0.632 -5.821 -16.828 1.00 0.00 C ATOM 59 NZ LYS A 4 0.425 -4.845 -16.441 1.00 0.00 N ATOM 0 H LYS A 4 -3.353 -11.681 -14.838 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.547 -10.196 -16.495 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.275 -8.751 -14.636 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.593 -8.591 -14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.719 -8.230 -17.008 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.010 -7.275 -16.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.473 -6.083 -14.870 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.165 -7.189 -15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.268 -6.447 -17.643 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.503 -5.284 -17.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.679 -4.264 -17.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.069 -4.231 -15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.266 -5.358 -16.107 1.00 0.00 H new ATOM 73 N GLU A 5 0.034 -11.540 -15.154 1.00 0.00 N ATOM 74 CA GLU A 5 1.052 -12.239 -14.378 1.00 0.00 C ATOM 75 C GLU A 5 2.089 -11.260 -13.833 1.00 0.00 C ATOM 76 O GLU A 5 2.374 -10.236 -14.454 1.00 0.00 O ATOM 77 CB GLU A 5 1.738 -13.303 -15.236 1.00 0.00 C ATOM 78 CG GLU A 5 0.990 -14.625 -15.279 1.00 0.00 C ATOM 79 CD GLU A 5 0.273 -14.847 -16.597 1.00 0.00 C ATOM 80 OE1 GLU A 5 -0.384 -13.902 -17.083 1.00 0.00 O ATOM 81 OE2 GLU A 5 0.368 -15.967 -17.143 1.00 0.00 O ATOM 0 H GLU A 5 0.182 -11.564 -16.163 1.00 0.00 H new ATOM 0 HA GLU A 5 0.560 -12.725 -13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.847 -12.924 -16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.743 -13.476 -14.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.692 -15.441 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.265 -14.655 -14.466 1.00 0.00 H new ATOM 88 N PRO A 6 2.671 -11.564 -12.660 1.00 0.00 N ATOM 89 CA PRO A 6 3.678 -10.709 -12.034 1.00 0.00 C ATOM 90 C PRO A 6 5.054 -10.871 -12.671 1.00 0.00 C ATOM 91 O PRO A 6 5.484 -11.985 -12.969 1.00 0.00 O ATOM 92 CB PRO A 6 3.696 -11.202 -10.588 1.00 0.00 C ATOM 93 CG PRO A 6 3.327 -12.642 -10.680 1.00 0.00 C ATOM 94 CD PRO A 6 2.388 -12.767 -11.853 1.00 0.00 C ATOM 0 HA PRO A 6 3.443 -9.650 -12.139 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.680 -11.072 -10.137 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.987 -10.649 -9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.212 -13.261 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.848 -12.979 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.573 -13.680 -12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.347 -12.797 -11.531 1.00 0.00 H new ATOM 102 N GLU A 7 5.739 -9.752 -12.879 1.00 0.00 N ATOM 103 CA GLU A 7 7.067 -9.770 -13.481 1.00 0.00 C ATOM 104 C GLU A 7 7.956 -8.690 -12.872 1.00 0.00 C ATOM 105 O GLU A 7 7.855 -7.516 -13.227 1.00 0.00 O ATOM 106 CB GLU A 7 6.966 -9.570 -14.995 1.00 0.00 C ATOM 107 CG GLU A 7 6.348 -10.752 -15.724 1.00 0.00 C ATOM 108 CD GLU A 7 5.677 -10.349 -17.023 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.052 -9.268 -17.058 1.00 0.00 O ATOM 110 OE2 GLU A 7 5.778 -11.114 -18.005 1.00 0.00 O ATOM 0 H GLU A 7 5.397 -8.821 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 7 7.517 -10.742 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.372 -8.678 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.963 -9.387 -15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.122 -11.491 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.616 -11.232 -15.075 1.00 0.00 H new ATOM 117 N PHE A 8 8.826 -9.096 -11.954 1.00 0.00 N ATOM 118 CA PHE A 8 9.734 -8.164 -11.295 1.00 0.00 C ATOM 119 C PHE A 8 8.956 -7.071 -10.563 1.00 0.00 C ATOM 120 O PHE A 8 8.665 -6.019 -11.130 1.00 0.00 O ATOM 121 CB PHE A 8 10.681 -7.535 -12.320 1.00 0.00 C ATOM 122 CG PHE A 8 12.041 -8.172 -12.348 1.00 0.00 C ATOM 123 CD1 PHE A 8 12.727 -8.424 -11.170 1.00 0.00 C ATOM 124 CD2 PHE A 8 12.634 -8.519 -13.551 1.00 0.00 C ATOM 125 CE1 PHE A 8 13.978 -9.010 -11.192 1.00 0.00 C ATOM 126 CE2 PHE A 8 13.885 -9.105 -13.580 1.00 0.00 C ATOM 127 CZ PHE A 8 14.559 -9.351 -12.398 1.00 0.00 C ATOM 0 H PHE A 8 8.922 -10.065 -11.649 1.00 0.00 H new ATOM 0 HA PHE A 8 10.319 -8.720 -10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.233 -7.610 -13.311 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.790 -6.473 -12.099 1.00 0.00 H new ATOM 0 HD1 PHE A 8 12.278 -8.159 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.112 -8.329 -14.477 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.501 -9.201 -10.267 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.336 -9.371 -14.525 1.00 0.00 H new ATOM 0 HZ PHE A 8 15.537 -9.809 -12.418 1.00 0.00 H new ATOM 137 N PRO A 9 8.610 -7.308 -9.285 1.00 0.00 N ATOM 138 CA PRO A 9 7.863 -6.337 -8.477 1.00 0.00 C ATOM 139 C PRO A 9 8.686 -5.093 -8.161 1.00 0.00 C ATOM 140 O PRO A 9 9.841 -4.980 -8.569 1.00 0.00 O ATOM 141 CB PRO A 9 7.545 -7.109 -7.194 1.00 0.00 C ATOM 142 CG PRO A 9 8.596 -8.160 -7.110 1.00 0.00 C ATOM 143 CD PRO A 9 8.918 -8.537 -8.530 1.00 0.00 C ATOM 0 HA PRO A 9 6.979 -5.969 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.570 -6.455 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.548 -7.549 -7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.481 -7.787 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.241 -9.024 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.963 -8.827 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.315 -9.379 -8.869 1.00 0.00 H new ATOM 151 N VAL A 10 8.081 -4.161 -7.431 1.00 0.00 N ATOM 152 CA VAL A 10 8.756 -2.924 -7.060 1.00 0.00 C ATOM 153 C VAL A 10 9.178 -2.945 -5.594 1.00 0.00 C ATOM 154 O VAL A 10 8.409 -3.355 -4.723 1.00 0.00 O ATOM 155 CB VAL A 10 7.857 -1.696 -7.312 1.00 0.00 C ATOM 156 CG1 VAL A 10 6.606 -1.757 -6.446 1.00 0.00 C ATOM 157 CG2 VAL A 10 8.627 -0.408 -7.061 1.00 0.00 C ATOM 0 H VAL A 10 7.125 -4.240 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 10 9.644 -2.847 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 10 7.546 -1.708 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.986 -0.881 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.043 -2.660 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.892 -1.774 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.976 0.447 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.973 -0.386 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.485 -0.361 -7.731 1.00 0.00 H new ATOM 167 N GLU A 11 10.403 -2.504 -5.328 1.00 0.00 N ATOM 168 CA GLU A 11 10.926 -2.472 -3.968 1.00 0.00 C ATOM 169 C GLU A 11 10.741 -1.088 -3.345 1.00 0.00 C ATOM 170 O GLU A 11 11.437 -0.140 -3.711 1.00 0.00 O ATOM 171 CB GLU A 11 12.409 -2.851 -3.962 1.00 0.00 C ATOM 172 CG GLU A 11 13.229 -2.107 -5.003 1.00 0.00 C ATOM 173 CD GLU A 11 13.519 -2.951 -6.229 1.00 0.00 C ATOM 174 OE1 GLU A 11 12.553 -3.398 -6.883 1.00 0.00 O ATOM 175 OE2 GLU A 11 14.711 -3.163 -6.536 1.00 0.00 O ATOM 0 H GLU A 11 11.052 -2.164 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 11 10.369 -3.196 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.823 -2.651 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.503 -3.923 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.695 -1.206 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.170 -1.785 -4.557 1.00 0.00 H new ATOM 182 N PRO A 12 9.800 -0.950 -2.393 1.00 0.00 N ATOM 183 CA PRO A 12 9.538 0.331 -1.727 1.00 0.00 C ATOM 184 C PRO A 12 10.702 0.777 -0.851 1.00 0.00 C ATOM 185 O PRO A 12 11.727 0.100 -0.770 1.00 0.00 O ATOM 186 CB PRO A 12 8.303 0.046 -0.869 1.00 0.00 C ATOM 187 CG PRO A 12 8.322 -1.426 -0.648 1.00 0.00 C ATOM 188 CD PRO A 12 8.922 -2.022 -1.891 1.00 0.00 C ATOM 0 HA PRO A 12 9.395 1.138 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.345 0.588 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.390 0.358 -1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.913 -1.681 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.316 -1.808 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.482 -2.931 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.156 -2.288 -2.619 1.00 0.00 H new ATOM 196 N VAL A 13 10.536 1.920 -0.194 1.00 0.00 N ATOM 197 CA VAL A 13 11.573 2.458 0.679 1.00 0.00 C ATOM 198 C VAL A 13 11.624 1.703 2.003 1.00 0.00 C ATOM 199 O VAL A 13 10.617 1.584 2.701 1.00 0.00 O ATOM 200 CB VAL A 13 11.352 3.956 0.965 1.00 0.00 C ATOM 201 CG1 VAL A 13 11.723 4.792 -0.249 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.912 4.218 1.381 1.00 0.00 C ATOM 0 H VAL A 13 9.693 2.492 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 13 12.520 2.333 0.154 1.00 0.00 H new ATOM 0 HB VAL A 13 12.001 4.246 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.560 5.847 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.773 4.631 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.103 4.499 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.778 5.282 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.240 3.910 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.685 3.650 2.283 1.00 0.00 H new ATOM 212 N GLY A 14 12.803 1.193 2.342 1.00 0.00 N ATOM 213 CA GLY A 14 12.964 0.457 3.582 1.00 0.00 C ATOM 214 C GLY A 14 13.047 -1.041 3.362 1.00 0.00 C ATOM 215 O GLY A 14 12.147 -1.639 2.773 1.00 0.00 O ATOM 0 H GLY A 14 13.650 1.276 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.868 0.797 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.126 0.678 4.243 1.00 0.00 H new ATOM 219 N GLU A 15 14.129 -1.647 3.837 1.00 0.00 N ATOM 220 CA GLU A 15 14.328 -3.085 3.691 1.00 0.00 C ATOM 221 C GLU A 15 13.332 -3.861 4.546 1.00 0.00 C ATOM 222 O GLU A 15 12.639 -4.753 4.056 1.00 0.00 O ATOM 223 CB GLU A 15 15.757 -3.466 4.078 1.00 0.00 C ATOM 224 CG GLU A 15 16.816 -2.860 3.171 1.00 0.00 C ATOM 225 CD GLU A 15 17.189 -3.773 2.021 1.00 0.00 C ATOM 226 OE1 GLU A 15 18.068 -4.640 2.212 1.00 0.00 O ATOM 227 OE2 GLU A 15 16.604 -3.622 0.928 1.00 0.00 O ATOM 0 H GLU A 15 14.883 -1.165 4.327 1.00 0.00 H new ATOM 0 HA GLU A 15 14.162 -3.345 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.944 -3.148 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.852 -4.552 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.451 -1.913 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.707 -2.637 3.757 1.00 0.00 H new ATOM 234 N LYS A 16 13.264 -3.515 5.828 1.00 0.00 N ATOM 235 CA LYS A 16 12.353 -4.179 6.753 1.00 0.00 C ATOM 236 C LYS A 16 11.177 -3.273 7.102 1.00 0.00 C ATOM 237 O LYS A 16 11.248 -2.483 8.044 1.00 0.00 O ATOM 238 CB LYS A 16 13.096 -4.590 8.026 1.00 0.00 C ATOM 239 CG LYS A 16 12.719 -5.974 8.530 1.00 0.00 C ATOM 240 CD LYS A 16 13.388 -6.284 9.859 1.00 0.00 C ATOM 241 CE LYS A 16 13.829 -7.737 9.935 1.00 0.00 C ATOM 242 NZ LYS A 16 12.847 -8.579 10.672 1.00 0.00 N ATOM 0 H LYS A 16 13.829 -2.778 6.250 1.00 0.00 H new ATOM 0 HA LYS A 16 11.965 -5.073 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.169 -4.561 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.891 -3.859 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.637 -6.039 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.009 -6.722 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.252 -5.633 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.697 -6.069 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.959 -8.130 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.799 -7.796 10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.185 -9.562 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.742 -8.220 11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.927 -8.544 10.188 1.00 0.00 H new ATOM 256 N SER A 17 10.097 -3.390 6.336 1.00 0.00 N ATOM 257 CA SER A 17 8.907 -2.579 6.565 1.00 0.00 C ATOM 258 C SER A 17 7.846 -3.366 7.326 1.00 0.00 C ATOM 259 O SER A 17 7.576 -4.527 7.015 1.00 0.00 O ATOM 260 CB SER A 17 8.336 -2.089 5.233 1.00 0.00 C ATOM 261 OG SER A 17 9.370 -1.690 4.351 1.00 0.00 O ATOM 0 H SER A 17 10.022 -4.038 5.552 1.00 0.00 H new ATOM 0 HA SER A 17 9.196 -1.719 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.747 -2.882 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.661 -1.252 5.409 1.00 0.00 H new ATOM 0 HG SER A 17 8.979 -1.383 3.506 1.00 0.00 H new ATOM 267 N ASN A 18 7.245 -2.725 8.323 1.00 0.00 N ATOM 268 CA ASN A 18 6.210 -3.361 9.130 1.00 0.00 C ATOM 269 C ASN A 18 5.039 -3.801 8.260 1.00 0.00 C ATOM 270 O ASN A 18 5.006 -3.524 7.062 1.00 0.00 O ATOM 271 CB ASN A 18 5.726 -2.402 10.222 1.00 0.00 C ATOM 272 CG ASN A 18 6.150 -2.843 11.609 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.630 -2.038 12.409 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.977 -4.126 11.902 1.00 0.00 N ATOM 0 H ASN A 18 7.457 -1.764 8.592 1.00 0.00 H new ATOM 0 HA ASN A 18 6.639 -4.246 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.118 -1.404 10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.639 -2.330 10.183 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.245 -4.480 12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.576 -4.758 11.209 1.00 0.00 H new ATOM 281 N TYR A 19 4.080 -4.493 8.867 1.00 0.00 N ATOM 282 CA TYR A 19 2.910 -4.972 8.137 1.00 0.00 C ATOM 283 C TYR A 19 1.636 -4.775 8.952 1.00 0.00 C ATOM 284 O TYR A 19 1.485 -5.338 10.036 1.00 0.00 O ATOM 285 CB TYR A 19 3.066 -6.452 7.767 1.00 0.00 C ATOM 286 CG TYR A 19 4.487 -6.967 7.861 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.093 -7.163 9.094 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.219 -7.255 6.715 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.390 -7.633 9.185 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.516 -7.725 6.798 1.00 0.00 C ATOM 291 CZ TYR A 19 7.097 -7.912 8.035 1.00 0.00 C ATOM 292 OH TYR A 19 8.388 -8.380 8.122 1.00 0.00 O ATOM 0 H TYR A 19 4.089 -4.734 9.858 1.00 0.00 H new ATOM 0 HA TYR A 19 2.832 -4.386 7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.431 -7.048 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.704 -6.601 6.750 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.542 -6.945 9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.767 -7.109 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.847 -7.781 10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.072 -7.945 5.899 1.00 0.00 H new ATOM 0 HH TYR A 19 8.744 -8.528 7.221 1.00 0.00 H new ATOM 302 N ILE A 20 0.721 -3.976 8.416 1.00 0.00 N ATOM 303 CA ILE A 20 -0.546 -3.704 9.081 1.00 0.00 C ATOM 304 C ILE A 20 -1.489 -4.897 8.948 1.00 0.00 C ATOM 305 O ILE A 20 -1.992 -5.187 7.862 1.00 0.00 O ATOM 306 CB ILE A 20 -1.221 -2.445 8.492 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.406 -1.197 8.837 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.650 -2.303 9.000 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.765 -0.964 7.908 1.00 0.00 C ATOM 0 H ILE A 20 0.834 -3.504 7.519 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.335 -3.529 10.136 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.257 -2.554 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.061 -0.326 8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.037 -1.285 9.859 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.102 -1.409 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.229 -3.179 8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.643 -2.219 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.297 -0.063 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.441 -1.818 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.401 -0.844 6.887 1.00 0.00 H new ATOM 321 N CYS A 21 -1.723 -5.584 10.062 1.00 0.00 N ATOM 322 CA CYS A 21 -2.603 -6.746 10.074 1.00 0.00 C ATOM 323 C CYS A 21 -4.067 -6.321 10.068 1.00 0.00 C ATOM 324 O CYS A 21 -4.447 -5.353 10.726 1.00 0.00 O ATOM 325 CB CYS A 21 -2.318 -7.614 11.300 1.00 0.00 C ATOM 326 SG CYS A 21 -2.538 -6.759 12.878 1.00 0.00 S ATOM 0 H CYS A 21 -1.315 -5.355 10.968 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.409 -7.326 9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.974 -8.484 11.276 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.295 -7.985 11.239 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.389 -5.787 12.730 1.00 0.00 H new ATOM 332 N HIS A 22 -4.885 -7.052 9.319 1.00 0.00 N ATOM 333 CA HIS A 22 -6.308 -6.754 9.225 1.00 0.00 C ATOM 334 C HIS A 22 -7.086 -7.977 8.747 1.00 0.00 C ATOM 335 O HIS A 22 -6.526 -9.063 8.609 1.00 0.00 O ATOM 336 CB HIS A 22 -6.541 -5.576 8.274 1.00 0.00 C ATOM 337 CG HIS A 22 -7.662 -4.678 8.695 1.00 0.00 C ATOM 338 ND1 HIS A 22 -7.953 -4.403 10.015 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.567 -3.987 7.962 1.00 0.00 C ATOM 340 CE1 HIS A 22 -8.988 -3.584 10.075 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.379 -3.316 8.843 1.00 0.00 N ATOM 0 H HIS A 22 -4.586 -7.856 8.768 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.668 -6.484 10.218 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.624 -4.990 8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.751 -5.961 7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.637 -3.967 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.438 -3.199 10.978 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.158 -2.709 8.587 1.00 0.00 H new ATOM 350 N LYS A 23 -8.379 -7.792 8.499 1.00 0.00 N ATOM 351 CA LYS A 23 -9.239 -8.880 8.036 1.00 0.00 C ATOM 352 C LYS A 23 -8.645 -9.569 6.813 1.00 0.00 C ATOM 353 O LYS A 23 -8.901 -9.169 5.680 1.00 0.00 O ATOM 354 CB LYS A 23 -10.631 -8.346 7.696 1.00 0.00 C ATOM 355 CG LYS A 23 -10.605 -7.015 6.963 1.00 0.00 C ATOM 356 CD LYS A 23 -11.798 -6.862 6.031 1.00 0.00 C ATOM 357 CE LYS A 23 -13.116 -6.953 6.785 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.850 -5.657 6.778 1.00 0.00 N ATOM 0 H LYS A 23 -8.857 -6.898 8.611 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.316 -9.610 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.154 -9.080 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.204 -8.234 8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.603 -6.201 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.682 -6.934 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.738 -5.902 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.763 -7.636 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.739 -7.726 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.925 -7.257 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.874 -5.838 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.591 -5.107 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.598 -5.120 5.924 1.00 0.00 H new ATOM 372 N GLY A 24 -7.849 -10.606 7.048 1.00 0.00 N ATOM 373 CA GLY A 24 -7.235 -11.329 5.947 1.00 0.00 C ATOM 374 C GLY A 24 -6.338 -10.452 5.099 1.00 0.00 C ATOM 375 O GLY A 24 -5.962 -10.836 3.994 1.00 0.00 O ATOM 0 H GLY A 24 -7.618 -10.959 7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.653 -12.161 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.016 -11.758 5.319 1.00 0.00 H new ATOM 379 N HIS A 25 -5.995 -9.270 5.606 1.00 0.00 N ATOM 380 CA HIS A 25 -5.143 -8.352 4.864 1.00 0.00 C ATOM 381 C HIS A 25 -3.915 -7.929 5.664 1.00 0.00 C ATOM 382 O HIS A 25 -3.999 -7.647 6.859 1.00 0.00 O ATOM 383 CB HIS A 25 -5.940 -7.116 4.428 1.00 0.00 C ATOM 384 CG HIS A 25 -5.992 -6.968 2.943 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.872 -6.155 2.258 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.250 -7.589 2.005 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.634 -6.318 0.944 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.656 -7.183 0.753 1.00 0.00 N ATOM 0 H HIS A 25 -6.293 -8.930 6.520 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.790 -8.885 3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.955 -7.185 4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.490 -6.224 4.864 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.575 -5.542 2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.459 -8.296 2.204 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.169 -5.811 0.155 1.00 0.00 H new ATOM 396 N GLU A 26 -2.776 -7.876 4.977 1.00 0.00 N ATOM 397 CA GLU A 26 -1.515 -7.476 5.591 1.00 0.00 C ATOM 398 C GLU A 26 -0.888 -6.339 4.793 1.00 0.00 C ATOM 399 O GLU A 26 0.021 -6.555 3.991 1.00 0.00 O ATOM 400 CB GLU A 26 -0.554 -8.664 5.665 1.00 0.00 C ATOM 401 CG GLU A 26 -0.501 -9.321 7.034 1.00 0.00 C ATOM 402 CD GLU A 26 -1.582 -10.366 7.222 1.00 0.00 C ATOM 403 OE1 GLU A 26 -2.762 -10.054 6.956 1.00 0.00 O ATOM 404 OE2 GLU A 26 -1.249 -11.498 7.634 1.00 0.00 O ATOM 0 H GLU A 26 -2.702 -8.108 3.986 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.713 -7.131 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.852 -9.408 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.447 -8.328 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.476 -9.785 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.603 -8.556 7.804 1.00 0.00 H new ATOM 411 N PHE A 27 -1.392 -5.130 5.010 1.00 0.00 N ATOM 412 CA PHE A 27 -0.899 -3.951 4.305 1.00 0.00 C ATOM 413 C PHE A 27 0.500 -3.572 4.768 1.00 0.00 C ATOM 414 O PHE A 27 0.946 -3.982 5.838 1.00 0.00 O ATOM 415 CB PHE A 27 -1.852 -2.769 4.495 1.00 0.00 C ATOM 416 CG PHE A 27 -3.305 -3.151 4.465 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.976 -3.275 3.259 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.000 -3.385 5.641 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.312 -3.623 3.226 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.336 -3.734 5.614 1.00 0.00 C ATOM 421 CZ PHE A 27 -5.994 -3.853 4.406 1.00 0.00 C ATOM 0 H PHE A 27 -2.145 -4.939 5.671 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.851 -4.200 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.632 -2.287 5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.663 -2.033 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.448 -3.097 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.491 -3.293 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.823 -3.715 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.866 -3.914 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.039 -4.125 4.383 1.00 0.00 H new ATOM 431 N ILE A 28 1.192 -2.800 3.941 1.00 0.00 N ATOM 432 CA ILE A 28 2.549 -2.370 4.248 1.00 0.00 C ATOM 433 C ILE A 28 2.692 -0.860 4.099 1.00 0.00 C ATOM 434 O ILE A 28 2.253 -0.282 3.106 1.00 0.00 O ATOM 435 CB ILE A 28 3.571 -3.063 3.330 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.210 -4.545 3.151 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.979 -2.904 3.884 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.615 -5.420 4.319 1.00 0.00 C ATOM 0 H ILE A 28 0.834 -2.458 3.049 1.00 0.00 H new ATOM 0 HA ILE A 28 2.748 -2.650 5.282 1.00 0.00 H new ATOM 0 HB ILE A 28 3.541 -2.587 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.134 -4.631 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.689 -4.919 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.689 -3.400 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.226 -1.844 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.033 -3.353 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.327 -6.452 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.695 -5.365 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.115 -5.073 5.224 1.00 0.00 H new ATOM 450 N PRO A 29 3.311 -0.199 5.090 1.00 0.00 N ATOM 451 CA PRO A 29 3.507 1.251 5.067 1.00 0.00 C ATOM 452 C PRO A 29 4.492 1.691 3.996 1.00 0.00 C ATOM 453 O PRO A 29 5.682 1.386 4.066 1.00 0.00 O ATOM 454 CB PRO A 29 4.063 1.559 6.456 1.00 0.00 C ATOM 455 CG PRO A 29 4.690 0.287 6.911 1.00 0.00 C ATOM 456 CD PRO A 29 3.867 -0.815 6.309 1.00 0.00 C ATOM 0 HA PRO A 29 2.582 1.778 4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.793 2.368 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.272 1.875 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.728 0.224 6.583 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.695 0.221 7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.475 -1.689 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.080 -1.145 6.987 1.00 0.00 H new ATOM 464 N THR A 30 3.988 2.417 3.006 1.00 0.00 N ATOM 465 CA THR A 30 4.826 2.906 1.923 1.00 0.00 C ATOM 466 C THR A 30 4.240 4.175 1.309 1.00 0.00 C ATOM 467 O THR A 30 3.079 4.510 1.545 1.00 0.00 O ATOM 468 CB THR A 30 4.984 1.832 0.846 1.00 0.00 C ATOM 469 OG1 THR A 30 5.861 2.271 -0.176 1.00 0.00 O ATOM 470 CG2 THR A 30 3.676 1.444 0.193 1.00 0.00 C ATOM 0 H THR A 30 3.005 2.679 2.932 1.00 0.00 H new ATOM 0 HA THR A 30 5.806 3.143 2.337 1.00 0.00 H new ATOM 0 HB THR A 30 5.386 0.961 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.712 1.739 -0.986 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.859 0.678 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.994 1.054 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.231 2.320 -0.279 1.00 0.00 H new ATOM 478 N LEU A 31 5.048 4.875 0.519 1.00 0.00 N ATOM 479 CA LEU A 31 4.610 6.104 -0.131 1.00 0.00 C ATOM 480 C LEU A 31 4.498 5.906 -1.640 1.00 0.00 C ATOM 481 O LEU A 31 5.128 5.013 -2.205 1.00 0.00 O ATOM 482 CB LEU A 31 5.587 7.241 0.177 1.00 0.00 C ATOM 483 CG LEU A 31 5.745 7.574 1.661 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.720 8.726 1.848 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.395 7.909 2.277 1.00 0.00 C ATOM 0 H LEU A 31 6.012 4.611 0.314 1.00 0.00 H new ATOM 0 HA LEU A 31 3.626 6.365 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.565 6.979 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.255 8.137 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 31 6.148 6.699 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.820 8.949 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.693 8.449 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.347 9.607 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.525 8.144 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.965 8.769 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.726 7.054 2.175 1.00 0.00 H new ATOM 497 N TYR A 32 3.693 6.743 -2.287 1.00 0.00 N ATOM 498 CA TYR A 32 3.502 6.653 -3.730 1.00 0.00 C ATOM 499 C TYR A 32 3.519 8.036 -4.374 1.00 0.00 C ATOM 500 O TYR A 32 2.674 8.881 -4.076 1.00 0.00 O ATOM 501 CB TYR A 32 2.185 5.943 -4.046 1.00 0.00 C ATOM 502 CG TYR A 32 2.250 4.445 -3.863 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.806 3.629 -4.840 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.756 3.845 -2.711 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.869 2.258 -4.674 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.816 2.475 -2.537 1.00 0.00 C ATOM 507 CZ TYR A 32 2.373 1.687 -3.521 1.00 0.00 C ATOM 508 OH TYR A 32 2.435 0.323 -3.353 1.00 0.00 O ATOM 0 H TYR A 32 3.164 7.489 -1.836 1.00 0.00 H new ATOM 0 HA TYR A 32 4.328 6.074 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.401 6.346 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.900 6.164 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.195 4.073 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.318 4.460 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.304 1.637 -5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.429 2.025 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 32 3.090 0.109 -2.656 1.00 0.00 H new ATOM 518 N HIS A 33 4.485 8.257 -5.259 1.00 0.00 N ATOM 519 CA HIS A 33 4.614 9.536 -5.950 1.00 0.00 C ATOM 520 C HIS A 33 3.778 9.559 -7.227 1.00 0.00 C ATOM 521 O HIS A 33 3.462 10.627 -7.752 1.00 0.00 O ATOM 522 CB HIS A 33 6.081 9.809 -6.289 1.00 0.00 C ATOM 523 CG HIS A 33 6.926 10.122 -5.093 1.00 0.00 C ATOM 524 ND1 HIS A 33 8.077 10.879 -5.163 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.785 9.776 -3.792 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.607 10.984 -3.957 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.842 10.325 -3.109 1.00 0.00 N ATOM 0 H HIS A 33 5.191 7.567 -5.515 1.00 0.00 H new ATOM 0 HA HIS A 33 4.246 10.315 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.495 8.939 -6.798 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.134 10.643 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.990 9.180 -3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.512 11.518 -3.708 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.009 10.237 -2.107 1.00 0.00 H new ATOM 536 N PHE A 34 3.422 8.378 -7.723 1.00 0.00 N ATOM 537 CA PHE A 34 2.624 8.271 -8.940 1.00 0.00 C ATOM 538 C PHE A 34 1.152 8.054 -8.609 1.00 0.00 C ATOM 539 O PHE A 34 0.795 7.798 -7.459 1.00 0.00 O ATOM 540 CB PHE A 34 3.131 7.123 -9.819 1.00 0.00 C ATOM 541 CG PHE A 34 4.625 6.960 -9.804 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.432 7.782 -10.573 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.220 5.984 -9.020 1.00 0.00 C ATOM 544 CE1 PHE A 34 6.806 7.634 -10.560 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.592 5.831 -9.003 1.00 0.00 C ATOM 546 CZ PHE A 34 7.387 6.657 -9.774 1.00 0.00 C ATOM 0 H PHE A 34 3.673 7.483 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 34 2.725 9.208 -9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.670 6.193 -9.487 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.804 7.292 -10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.983 8.547 -11.189 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.603 5.336 -8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.425 8.281 -11.164 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.043 5.067 -8.388 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.461 6.539 -9.762 1.00 0.00 H new ATOM 556 N PRO A 35 0.273 8.155 -9.620 1.00 0.00 N ATOM 557 CA PRO A 35 -1.171 7.972 -9.437 1.00 0.00 C ATOM 558 C PRO A 35 -1.526 6.547 -9.025 1.00 0.00 C ATOM 559 O PRO A 35 -1.544 5.637 -9.853 1.00 0.00 O ATOM 560 CB PRO A 35 -1.760 8.289 -10.820 1.00 0.00 C ATOM 561 CG PRO A 35 -0.678 9.002 -11.558 1.00 0.00 C ATOM 562 CD PRO A 35 0.612 8.462 -11.017 1.00 0.00 C ATOM 0 HA PRO A 35 -1.559 8.608 -8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.055 7.377 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.652 8.910 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.756 8.826 -12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.745 10.079 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.938 7.574 -11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.418 9.193 -11.087 1.00 0.00 H new ATOM 570 N THR A 36 -1.815 6.362 -7.740 1.00 0.00 N ATOM 571 CA THR A 36 -2.178 5.052 -7.219 1.00 0.00 C ATOM 572 C THR A 36 -3.643 5.045 -6.788 1.00 0.00 C ATOM 573 O THR A 36 -4.062 5.860 -5.967 1.00 0.00 O ATOM 574 CB THR A 36 -1.258 4.676 -6.049 1.00 0.00 C ATOM 575 OG1 THR A 36 -0.066 4.080 -6.526 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.881 3.713 -5.057 1.00 0.00 C ATOM 0 H THR A 36 -1.804 7.105 -7.041 1.00 0.00 H new ATOM 0 HA THR A 36 -2.051 4.307 -8.005 1.00 0.00 H new ATOM 0 HB THR A 36 -1.063 5.616 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.619 4.114 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.167 3.498 -4.262 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.778 4.161 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.146 2.787 -5.567 1.00 0.00 H new ATOM 584 N ASN A 37 -4.416 4.127 -7.356 1.00 0.00 N ATOM 585 CA ASN A 37 -5.835 4.022 -7.037 1.00 0.00 C ATOM 586 C ASN A 37 -6.059 3.165 -5.796 1.00 0.00 C ATOM 587 O ASN A 37 -5.785 1.964 -5.801 1.00 0.00 O ATOM 588 CB ASN A 37 -6.602 3.431 -8.222 1.00 0.00 C ATOM 589 CG ASN A 37 -6.360 4.198 -9.507 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.984 3.622 -10.527 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.579 5.507 -9.463 1.00 0.00 N ATOM 0 H ASN A 37 -4.085 3.445 -8.039 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.207 5.026 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.305 2.391 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.669 3.431 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.436 6.076 -10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.890 5.943 -8.595 1.00 0.00 H new ATOM 598 N CYS A 38 -6.566 3.787 -4.737 1.00 0.00 N ATOM 599 CA CYS A 38 -6.835 3.078 -3.492 1.00 0.00 C ATOM 600 C CYS A 38 -7.970 2.073 -3.690 1.00 0.00 C ATOM 601 O CYS A 38 -8.847 2.271 -4.532 1.00 0.00 O ATOM 602 CB CYS A 38 -7.165 4.082 -2.373 1.00 0.00 C ATOM 603 SG CYS A 38 -8.811 3.878 -1.603 1.00 0.00 S ATOM 0 H CYS A 38 -6.799 4.780 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.945 2.523 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.405 3.998 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.095 5.091 -2.780 1.00 0.00 H new ATOM 608 N GLU A 39 -7.944 0.995 -2.915 1.00 0.00 N ATOM 609 CA GLU A 39 -8.968 -0.041 -3.011 1.00 0.00 C ATOM 610 C GLU A 39 -10.201 0.321 -2.186 1.00 0.00 C ATOM 611 O GLU A 39 -11.320 -0.066 -2.525 1.00 0.00 O ATOM 612 CB GLU A 39 -8.403 -1.386 -2.544 1.00 0.00 C ATOM 613 CG GLU A 39 -8.228 -2.393 -3.668 1.00 0.00 C ATOM 614 CD GLU A 39 -9.526 -3.087 -4.036 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.530 -2.382 -4.265 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.536 -4.335 -4.095 1.00 0.00 O ATOM 0 H GLU A 39 -7.226 0.815 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.269 -0.120 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.439 -1.219 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.067 -1.808 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.830 -1.886 -4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.492 -3.140 -3.370 1.00 0.00 H new ATOM 623 N ALA A 40 -9.991 1.056 -1.099 1.00 0.00 N ATOM 624 CA ALA A 40 -11.088 1.458 -0.224 1.00 0.00 C ATOM 625 C ALA A 40 -12.044 2.425 -0.928 1.00 0.00 C ATOM 626 O ALA A 40 -12.979 1.996 -1.605 1.00 0.00 O ATOM 627 CB ALA A 40 -10.540 2.066 1.060 1.00 0.00 C ATOM 0 H ALA A 40 -9.072 1.386 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.662 0.567 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.368 2.362 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.923 1.331 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.937 2.941 0.819 1.00 0.00 H new ATOM 633 N CYS A 41 -11.815 3.729 -0.766 1.00 0.00 N ATOM 634 CA CYS A 41 -12.669 4.736 -1.388 1.00 0.00 C ATOM 635 C CYS A 41 -12.342 4.894 -2.871 1.00 0.00 C ATOM 636 O CYS A 41 -11.469 4.209 -3.402 1.00 0.00 O ATOM 637 CB CYS A 41 -12.528 6.081 -0.666 1.00 0.00 C ATOM 638 SG CYS A 41 -10.968 6.967 -1.004 1.00 0.00 S ATOM 0 H CYS A 41 -11.048 4.109 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.702 4.399 -1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.363 6.721 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.609 5.912 0.408 1.00 0.00 H new ATOM 643 N MET A 42 -13.053 5.803 -3.533 1.00 0.00 N ATOM 644 CA MET A 42 -12.842 6.052 -4.955 1.00 0.00 C ATOM 645 C MET A 42 -11.777 7.123 -5.174 1.00 0.00 C ATOM 646 O MET A 42 -11.120 7.153 -6.215 1.00 0.00 O ATOM 647 CB MET A 42 -14.153 6.480 -5.617 1.00 0.00 C ATOM 648 CG MET A 42 -15.200 5.378 -5.662 1.00 0.00 C ATOM 649 SD MET A 42 -16.134 5.245 -4.126 1.00 0.00 S ATOM 650 CE MET A 42 -16.255 3.467 -3.956 1.00 0.00 C ATOM 0 H MET A 42 -13.780 6.379 -3.107 1.00 0.00 H new ATOM 0 HA MET A 42 -12.495 5.125 -5.411 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.560 7.335 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.945 6.814 -6.634 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.888 5.569 -6.486 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.711 4.426 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.808 3.225 -3.049 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.776 3.054 -4.820 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.255 3.038 -3.896 1.00 0.00 H new ATOM 660 N LYS A 43 -11.609 8.003 -4.190 1.00 0.00 N ATOM 661 CA LYS A 43 -10.622 9.074 -4.281 1.00 0.00 C ATOM 662 C LYS A 43 -9.242 8.518 -4.634 1.00 0.00 C ATOM 663 O LYS A 43 -8.886 7.413 -4.224 1.00 0.00 O ATOM 664 CB LYS A 43 -10.556 9.849 -2.961 1.00 0.00 C ATOM 665 CG LYS A 43 -11.078 11.274 -3.065 1.00 0.00 C ATOM 666 CD LYS A 43 -12.580 11.301 -3.292 1.00 0.00 C ATOM 667 CE LYS A 43 -13.334 11.543 -1.994 1.00 0.00 C ATOM 668 NZ LYS A 43 -13.081 12.905 -1.450 1.00 0.00 N ATOM 0 H LYS A 43 -12.143 7.995 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.931 9.753 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.132 9.314 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.523 9.874 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.837 11.819 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.576 11.788 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.827 12.084 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.900 10.355 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.403 11.413 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.037 10.797 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.888 13.201 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.218 12.892 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.959 13.576 -2.236 1.00 0.00 H new ATOM 682 N PRO A 44 -8.446 9.278 -5.407 1.00 0.00 N ATOM 683 CA PRO A 44 -7.104 8.852 -5.818 1.00 0.00 C ATOM 684 C PRO A 44 -6.115 8.841 -4.658 1.00 0.00 C ATOM 685 O PRO A 44 -6.218 9.645 -3.730 1.00 0.00 O ATOM 686 CB PRO A 44 -6.699 9.901 -6.855 1.00 0.00 C ATOM 687 CG PRO A 44 -7.488 11.112 -6.496 1.00 0.00 C ATOM 688 CD PRO A 44 -8.792 10.607 -5.944 1.00 0.00 C ATOM 0 HA PRO A 44 -7.103 7.831 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.628 10.101 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.926 9.566 -7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.960 11.717 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.652 11.744 -7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.181 11.265 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.557 10.541 -6.718 1.00 0.00 H new ATOM 696 N LEU A 45 -5.154 7.925 -4.719 1.00 0.00 N ATOM 697 CA LEU A 45 -4.140 7.806 -3.678 1.00 0.00 C ATOM 698 C LEU A 45 -2.753 8.120 -4.236 1.00 0.00 C ATOM 699 O LEU A 45 -2.161 7.302 -4.940 1.00 0.00 O ATOM 700 CB LEU A 45 -4.156 6.394 -3.082 1.00 0.00 C ATOM 701 CG LEU A 45 -3.398 6.237 -1.762 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.714 4.895 -1.121 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.902 6.376 -1.988 1.00 0.00 C ATOM 0 H LEU A 45 -5.056 7.253 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.370 8.527 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.192 6.094 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.731 5.704 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.721 7.028 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.166 4.802 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.784 4.829 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.419 4.091 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.378 6.262 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.566 5.606 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.687 7.360 -2.405 1.00 0.00 H new ATOM 715 N TRP A 46 -2.243 9.309 -3.919 1.00 0.00 N ATOM 716 CA TRP A 46 -0.923 9.733 -4.387 1.00 0.00 C ATOM 717 C TRP A 46 -0.640 11.179 -3.992 1.00 0.00 C ATOM 718 O TRP A 46 -1.476 11.842 -3.376 1.00 0.00 O ATOM 719 CB TRP A 46 -0.808 9.587 -5.908 1.00 0.00 C ATOM 720 CG TRP A 46 -1.792 10.424 -6.668 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.114 10.609 -6.378 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.530 11.188 -7.852 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.689 11.442 -7.307 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.738 11.810 -8.222 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.393 11.407 -8.634 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.839 12.636 -9.338 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.494 12.226 -9.742 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.709 12.832 -10.086 1.00 0.00 C ATOM 0 H TRP A 46 -2.724 9.997 -3.339 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.186 9.086 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.202 9.860 -6.215 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.951 8.540 -6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.632 10.165 -5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.665 11.738 -7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.548 10.944 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.775 13.105 -9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.379 12.402 -10.353 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.755 13.467 -10.959 1.00 0.00 H new ATOM 739 N HIS A 47 0.545 11.661 -4.356 1.00 0.00 N ATOM 740 CA HIS A 47 0.950 13.029 -4.047 1.00 0.00 C ATOM 741 C HIS A 47 2.369 13.294 -4.539 1.00 0.00 C ATOM 742 O HIS A 47 3.296 12.546 -4.223 1.00 0.00 O ATOM 743 CB HIS A 47 0.856 13.289 -2.542 1.00 0.00 C ATOM 744 CG HIS A 47 -0.028 14.444 -2.188 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.399 15.517 -1.434 1.00 0.00 N ATOM 746 CD2 HIS A 47 -1.324 14.692 -2.492 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.596 16.374 -1.288 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.652 15.897 -1.920 1.00 0.00 N ATOM 0 H HIS A 47 1.244 11.122 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 47 0.272 13.709 -4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.482 12.392 -2.049 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.856 13.474 -2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.978 14.060 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.553 17.306 -0.744 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.564 16.350 -1.975 1.00 0.00 H new ATOM 757 N MET A 48 2.533 14.360 -5.316 1.00 0.00 N ATOM 758 CA MET A 48 3.840 14.719 -5.856 1.00 0.00 C ATOM 759 C MET A 48 4.678 15.458 -4.817 1.00 0.00 C ATOM 760 O MET A 48 5.863 15.176 -4.648 1.00 0.00 O ATOM 761 CB MET A 48 3.676 15.588 -7.105 1.00 0.00 C ATOM 762 CG MET A 48 2.684 15.027 -8.110 1.00 0.00 C ATOM 763 SD MET A 48 1.636 16.300 -8.839 1.00 0.00 S ATOM 764 CE MET A 48 0.639 16.768 -7.426 1.00 0.00 C ATOM 0 H MET A 48 1.778 14.990 -5.586 1.00 0.00 H new ATOM 0 HA MET A 48 4.358 13.798 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.352 16.584 -6.804 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.646 15.701 -7.589 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.228 14.512 -8.902 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.057 14.283 -7.619 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.252 17.295 -7.768 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.343 15.874 -6.877 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.218 17.420 -6.772 1.00 0.00 H new ATOM 774 N PHE A 49 4.055 16.409 -4.128 1.00 0.00 N ATOM 775 CA PHE A 49 4.746 17.192 -3.110 1.00 0.00 C ATOM 776 C PHE A 49 5.052 16.344 -1.880 1.00 0.00 C ATOM 777 O PHE A 49 6.202 15.974 -1.640 1.00 0.00 O ATOM 778 CB PHE A 49 3.903 18.404 -2.710 1.00 0.00 C ATOM 779 CG PHE A 49 3.768 19.426 -3.802 1.00 0.00 C ATOM 780 CD1 PHE A 49 4.885 19.888 -4.479 1.00 0.00 C ATOM 781 CD2 PHE A 49 2.523 19.926 -4.150 1.00 0.00 C ATOM 782 CE1 PHE A 49 4.764 20.829 -5.483 1.00 0.00 C ATOM 783 CE2 PHE A 49 2.396 20.868 -5.154 1.00 0.00 C ATOM 784 CZ PHE A 49 3.518 21.320 -5.822 1.00 0.00 C ATOM 0 H PHE A 49 3.074 16.656 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 49 5.690 17.536 -3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.910 18.065 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.351 18.875 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.862 19.508 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.643 19.576 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.643 21.181 -6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.421 21.250 -5.416 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.421 22.055 -6.607 1.00 0.00 H new ATOM 794 N LYS A 50 4.019 16.041 -1.102 1.00 0.00 N ATOM 795 CA LYS A 50 4.182 15.241 0.106 1.00 0.00 C ATOM 796 C LYS A 50 3.307 13.989 0.058 1.00 0.00 C ATOM 797 O LYS A 50 2.133 14.031 0.425 1.00 0.00 O ATOM 798 CB LYS A 50 3.829 16.069 1.342 1.00 0.00 C ATOM 799 CG LYS A 50 4.769 17.239 1.580 1.00 0.00 C ATOM 800 CD LYS A 50 5.983 16.818 2.394 1.00 0.00 C ATOM 801 CE LYS A 50 6.453 17.934 3.313 1.00 0.00 C ATOM 802 NZ LYS A 50 6.808 17.426 4.667 1.00 0.00 N ATOM 0 H LYS A 50 3.060 16.337 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 50 5.226 14.932 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.812 16.447 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.840 15.421 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.094 17.647 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.237 18.035 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.737 15.937 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.792 16.534 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.319 18.427 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.669 18.686 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.123 18.218 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.975 16.978 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.574 16.727 4.586 1.00 0.00 H new ATOM 816 N PRO A 51 3.867 12.851 -0.391 1.00 0.00 N ATOM 817 CA PRO A 51 3.125 11.590 -0.475 1.00 0.00 C ATOM 818 C PRO A 51 2.671 11.098 0.897 1.00 0.00 C ATOM 819 O PRO A 51 3.495 10.826 1.770 1.00 0.00 O ATOM 820 CB PRO A 51 4.133 10.610 -1.088 1.00 0.00 C ATOM 821 CG PRO A 51 5.469 11.215 -0.825 1.00 0.00 C ATOM 822 CD PRO A 51 5.260 12.702 -0.846 1.00 0.00 C ATOM 0 HA PRO A 51 2.212 11.696 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.050 9.623 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.961 10.484 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.862 10.890 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.191 10.911 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.957 13.216 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.404 13.115 -1.844 1.00 0.00 H new ATOM 830 N PRO A 52 1.349 10.976 1.108 1.00 0.00 N ATOM 831 CA PRO A 52 0.793 10.513 2.383 1.00 0.00 C ATOM 832 C PRO A 52 1.137 9.054 2.664 1.00 0.00 C ATOM 833 O PRO A 52 1.366 8.273 1.741 1.00 0.00 O ATOM 834 CB PRO A 52 -0.718 10.683 2.200 1.00 0.00 C ATOM 835 CG PRO A 52 -0.929 10.653 0.727 1.00 0.00 C ATOM 836 CD PRO A 52 0.295 11.275 0.122 1.00 0.00 C ATOM 0 HA PRO A 52 1.194 11.070 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.269 9.883 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.065 11.622 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.063 9.631 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.826 11.207 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.524 10.847 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.172 12.348 -0.022 1.00 0.00 H new ATOM 844 N PRO A 53 1.178 8.665 3.949 1.00 0.00 N ATOM 845 CA PRO A 53 1.495 7.290 4.346 1.00 0.00 C ATOM 846 C PRO A 53 0.467 6.292 3.825 1.00 0.00 C ATOM 847 O PRO A 53 -0.566 6.068 4.452 1.00 0.00 O ATOM 848 CB PRO A 53 1.468 7.335 5.878 1.00 0.00 C ATOM 849 CG PRO A 53 0.663 8.542 6.217 1.00 0.00 C ATOM 850 CD PRO A 53 0.916 9.528 5.113 1.00 0.00 C ATOM 0 HA PRO A 53 2.451 6.961 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.018 6.432 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.475 7.405 6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.397 8.298 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.960 8.952 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.057 10.178 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.766 10.174 5.336 1.00 0.00 H new ATOM 858 N ALA A 54 0.759 5.695 2.674 1.00 0.00 N ATOM 859 CA ALA A 54 -0.140 4.721 2.070 1.00 0.00 C ATOM 860 C ALA A 54 0.189 3.311 2.541 1.00 0.00 C ATOM 861 O ALA A 54 1.263 3.064 3.090 1.00 0.00 O ATOM 862 CB ALA A 54 -0.068 4.807 0.553 1.00 0.00 C ATOM 0 H ALA A 54 1.611 5.869 2.142 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.157 4.953 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.745 4.074 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.359 5.807 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.951 4.602 0.225 1.00 0.00 H new ATOM 868 N LEU A 55 -0.742 2.389 2.328 1.00 0.00 N ATOM 869 CA LEU A 55 -0.548 1.004 2.737 1.00 0.00 C ATOM 870 C LEU A 55 -0.725 0.052 1.557 1.00 0.00 C ATOM 871 O LEU A 55 -1.818 -0.068 1.002 1.00 0.00 O ATOM 872 CB LEU A 55 -1.525 0.642 3.857 1.00 0.00 C ATOM 873 CG LEU A 55 -1.571 1.636 5.017 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.557 1.173 6.077 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.184 1.814 5.617 1.00 0.00 C ATOM 0 H LEU A 55 -1.637 2.575 1.875 1.00 0.00 H new ATOM 0 HA LEU A 55 0.472 0.900 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.525 0.555 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.258 -0.339 4.249 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.908 2.600 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.576 1.893 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.552 1.095 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.251 0.199 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.233 2.525 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.179 0.855 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.497 2.190 4.854 1.00 0.00 H new ATOM 887 N GLU A 56 0.359 -0.620 1.180 1.00 0.00 N ATOM 888 CA GLU A 56 0.332 -1.560 0.065 1.00 0.00 C ATOM 889 C GLU A 56 0.228 -2.998 0.562 1.00 0.00 C ATOM 890 O GLU A 56 0.938 -3.398 1.482 1.00 0.00 O ATOM 891 CB GLU A 56 1.590 -1.400 -0.791 1.00 0.00 C ATOM 892 CG GLU A 56 1.569 -2.230 -2.065 1.00 0.00 C ATOM 893 CD GLU A 56 2.890 -2.926 -2.328 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.906 -2.224 -2.508 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.907 -4.175 -2.353 1.00 0.00 O ATOM 0 H GLU A 56 1.269 -0.530 1.632 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.548 -1.339 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.709 -0.349 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.461 -1.681 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.777 -2.976 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.327 -1.586 -2.910 1.00 0.00 H new ATOM 902 N CYS A 57 -0.653 -3.775 -0.061 1.00 0.00 N ATOM 903 CA CYS A 57 -0.836 -5.171 0.317 1.00 0.00 C ATOM 904 C CYS A 57 0.305 -6.025 -0.221 1.00 0.00 C ATOM 905 O CYS A 57 0.703 -5.889 -1.379 1.00 0.00 O ATOM 906 CB CYS A 57 -2.179 -5.695 -0.201 1.00 0.00 C ATOM 907 SG CYS A 57 -2.463 -7.468 0.118 1.00 0.00 S ATOM 0 H CYS A 57 -1.249 -3.462 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.833 -5.234 1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.983 -5.121 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.236 -5.517 -1.275 1.00 0.00 H new ATOM 912 N ARG A 58 0.829 -6.902 0.625 1.00 0.00 N ATOM 913 CA ARG A 58 1.927 -7.779 0.237 1.00 0.00 C ATOM 914 C ARG A 58 1.401 -9.141 -0.211 1.00 0.00 C ATOM 915 O ARG A 58 2.069 -10.162 -0.046 1.00 0.00 O ATOM 916 CB ARG A 58 2.903 -7.944 1.404 1.00 0.00 C ATOM 917 CG ARG A 58 2.306 -8.672 2.596 1.00 0.00 C ATOM 918 CD ARG A 58 3.347 -8.922 3.677 1.00 0.00 C ATOM 919 NE ARG A 58 3.729 -10.331 3.750 1.00 0.00 N ATOM 920 CZ ARG A 58 4.856 -10.765 4.310 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.715 -9.905 4.845 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.126 -12.063 4.333 1.00 0.00 N ATOM 0 H ARG A 58 0.511 -7.025 1.586 1.00 0.00 H new ATOM 0 HA ARG A 58 2.452 -7.324 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.781 -8.489 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.244 -6.959 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.486 -8.085 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.884 -9.622 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.231 -8.316 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.953 -8.602 4.642 1.00 0.00 H new ATOM 0 HE ARG A 58 3.095 -11.022 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.513 -8.905 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.577 -10.244 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.471 -12.728 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.989 -12.397 4.762 1.00 0.00 H new ATOM 936 N ARG A 59 0.199 -9.144 -0.779 1.00 0.00 N ATOM 937 CA ARG A 59 -0.428 -10.373 -1.255 1.00 0.00 C ATOM 938 C ARG A 59 -1.055 -10.165 -2.635 1.00 0.00 C ATOM 939 O ARG A 59 -0.494 -10.585 -3.648 1.00 0.00 O ATOM 940 CB ARG A 59 -1.488 -10.849 -0.257 1.00 0.00 C ATOM 941 CG ARG A 59 -0.958 -11.041 1.155 1.00 0.00 C ATOM 942 CD ARG A 59 -1.987 -10.633 2.198 1.00 0.00 C ATOM 943 NE ARG A 59 -2.390 -11.758 3.040 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.661 -12.225 4.051 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.493 -11.668 4.350 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.099 -13.253 4.765 1.00 0.00 N ATOM 0 H ARG A 59 -0.363 -8.305 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 59 0.343 -11.138 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.303 -10.126 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.908 -11.791 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.684 -12.085 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.051 -10.451 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.575 -9.842 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.864 -10.221 1.700 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.282 -12.211 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.150 -10.878 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.061 -12.030 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.995 -13.686 4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.540 -13.611 5.540 1.00 0.00 H new ATOM 960 N CYS A 60 -2.217 -9.515 -2.671 1.00 0.00 N ATOM 961 CA CYS A 60 -2.910 -9.252 -3.931 1.00 0.00 C ATOM 962 C CYS A 60 -2.413 -7.961 -4.582 1.00 0.00 C ATOM 963 O CYS A 60 -2.750 -7.667 -5.729 1.00 0.00 O ATOM 964 CB CYS A 60 -4.424 -9.170 -3.706 1.00 0.00 C ATOM 965 SG CYS A 60 -4.974 -7.689 -2.795 1.00 0.00 S ATOM 0 H CYS A 60 -2.698 -9.161 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.692 -10.081 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.924 -9.192 -4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.746 -10.057 -3.161 1.00 0.00 H new ATOM 970 N HIS A 61 -1.612 -7.191 -3.845 1.00 0.00 N ATOM 971 CA HIS A 61 -1.072 -5.932 -4.350 1.00 0.00 C ATOM 972 C HIS A 61 -2.161 -4.867 -4.454 1.00 0.00 C ATOM 973 O HIS A 61 -2.843 -4.757 -5.474 1.00 0.00 O ATOM 974 CB HIS A 61 -0.408 -6.134 -5.715 1.00 0.00 C ATOM 975 CG HIS A 61 0.575 -7.264 -5.741 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.446 -7.529 -4.705 1.00 0.00 N ATOM 977 CD2 HIS A 61 0.825 -8.201 -6.687 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.189 -8.577 -5.012 1.00 0.00 C ATOM 979 NE2 HIS A 61 1.831 -9.004 -6.210 1.00 0.00 N ATOM 0 H HIS A 61 -1.323 -7.420 -2.894 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.320 -5.589 -3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.180 -6.318 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.101 -5.214 -6.002 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.326 -8.298 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.958 -9.011 -4.390 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.236 -9.801 -6.701 1.00 0.00 H new ATOM 988 N ILE A 62 -2.310 -4.081 -3.392 1.00 0.00 N ATOM 989 CA ILE A 62 -3.306 -3.016 -3.353 1.00 0.00 C ATOM 990 C ILE A 62 -2.882 -1.924 -2.383 1.00 0.00 C ATOM 991 O ILE A 62 -2.411 -2.209 -1.283 1.00 0.00 O ATOM 992 CB ILE A 62 -4.692 -3.542 -2.940 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.631 -4.206 -1.563 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.214 -4.515 -3.980 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.767 -3.800 -0.648 1.00 0.00 C ATOM 0 H ILE A 62 -1.750 -4.163 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.376 -2.610 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.378 -2.698 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.645 -5.289 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.683 -3.953 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.195 -4.880 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.297 -4.009 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.526 -5.356 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.661 -4.308 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.741 -2.722 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.718 -4.078 -1.103 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.037 -0.674 -2.793 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.647 0.442 -1.945 1.00 0.00 C ATOM 1009 C LYS A 63 -3.854 1.085 -1.272 1.00 0.00 C ATOM 1010 O LYS A 63 -4.950 1.117 -1.829 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.886 1.490 -2.756 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.924 0.893 -3.772 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.589 0.703 -5.128 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.600 -0.757 -5.547 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.414 -1.107 -6.376 1.00 0.00 N ATOM 0 H LYS A 63 -3.426 -0.409 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.995 0.047 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.603 2.125 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.328 2.131 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.057 1.544 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.558 -0.067 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.612 1.078 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.062 1.293 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.621 -1.389 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.510 -0.966 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.460 -2.112 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.407 -0.522 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.454 -0.932 -5.831 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.633 1.600 -0.065 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.688 2.251 0.700 1.00 0.00 C ATOM 1031 C CYS A 64 -4.089 3.189 1.745 1.00 0.00 C ATOM 1032 O CYS A 64 -3.292 2.768 2.583 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.570 1.208 1.385 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.829 0.480 0.313 1.00 0.00 S ATOM 0 H CYS A 64 -2.728 1.578 0.404 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.299 2.835 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.936 0.411 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.061 1.670 2.241 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.315 0.234 -0.855 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.471 4.463 1.689 1.00 0.00 N ATOM 1041 CA HIS A 65 -3.960 5.462 2.636 1.00 0.00 C ATOM 1042 C HIS A 65 -4.008 4.937 4.059 1.00 0.00 C ATOM 1043 O HIS A 65 -5.006 4.358 4.487 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.749 6.784 2.583 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.728 6.881 1.458 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.593 7.682 0.343 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.886 6.226 1.307 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.673 7.477 -0.435 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.487 6.594 0.116 1.00 0.00 N ATOM 0 H HIS A 65 -5.130 4.831 1.002 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.930 5.656 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.284 6.910 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.043 7.610 2.504 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.817 8.314 0.144 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.292 5.515 2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.850 7.968 -1.381 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.939 5.182 4.801 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.877 4.771 6.191 1.00 0.00 C ATOM 1059 C LYS A 66 -4.122 5.275 6.915 1.00 0.00 C ATOM 1060 O LYS A 66 -4.606 4.653 7.860 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.612 5.320 6.856 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.534 5.040 8.348 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.283 4.251 8.702 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.495 3.391 9.937 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.012 4.054 11.171 1.00 0.00 N ATOM 0 H LYS A 66 -2.105 5.663 4.463 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.841 3.683 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.739 4.887 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.566 6.397 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.539 5.982 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.417 4.484 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.001 3.618 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.545 4.939 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.557 3.176 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.011 2.435 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.152 3.435 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.031 4.237 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.489 4.954 11.312 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.632 6.415 6.446 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.822 7.028 7.022 1.00 0.00 C ATOM 1081 C ASP A 67 -6.968 6.026 7.146 1.00 0.00 C ATOM 1082 O ASP A 67 -7.620 5.951 8.187 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.265 8.220 6.172 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.240 9.337 6.164 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.225 9.207 5.448 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.453 10.343 6.873 1.00 0.00 O ATOM 0 H ASP A 67 -4.233 6.933 5.663 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.565 7.371 8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.444 7.887 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.212 8.602 6.553 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.222 5.257 6.084 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.314 4.274 6.123 1.00 0.00 C ATOM 1093 C HIS A 68 -8.144 3.320 7.301 1.00 0.00 C ATOM 1094 O HIS A 68 -9.108 2.999 7.997 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.403 3.472 4.819 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.015 4.238 3.688 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.046 5.142 3.837 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.665 4.283 2.382 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.279 5.701 2.640 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.464 5.215 1.724 1.00 0.00 N ATOM 0 H HIS A 68 -6.703 5.291 5.207 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.242 4.833 6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.402 3.151 4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.989 2.570 4.996 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.543 5.349 4.703 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.888 3.690 1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.034 6.450 2.451 1.00 0.00 H new ATOM 1108 N MET A 69 -6.912 2.870 7.521 1.00 0.00 N ATOM 1109 CA MET A 69 -6.618 1.953 8.616 1.00 0.00 C ATOM 1110 C MET A 69 -6.725 2.662 9.964 1.00 0.00 C ATOM 1111 O MET A 69 -7.441 2.212 10.858 1.00 0.00 O ATOM 1112 CB MET A 69 -5.218 1.358 8.448 1.00 0.00 C ATOM 1113 CG MET A 69 -4.783 0.478 9.609 1.00 0.00 C ATOM 1114 SD MET A 69 -5.730 -1.052 9.717 1.00 0.00 S ATOM 1115 CE MET A 69 -5.593 -1.656 8.036 1.00 0.00 C ATOM 0 H MET A 69 -6.102 3.126 6.956 1.00 0.00 H new ATOM 0 HA MET A 69 -7.353 1.148 8.591 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.190 0.772 7.529 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.500 2.170 8.330 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.725 0.239 9.501 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.891 1.033 10.541 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.431 -2.734 8.049 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.512 -1.434 7.493 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.753 -1.169 7.542 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.007 3.772 10.102 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.017 4.543 11.341 1.00 0.00 C ATOM 1127 C ASP A 70 -7.438 4.950 11.723 1.00 0.00 C ATOM 1128 O ASP A 70 -7.757 5.087 12.904 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.138 5.787 11.197 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.290 6.042 12.428 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.857 6.449 13.464 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.061 5.836 12.357 1.00 0.00 O ATOM 0 H ASP A 70 -5.410 4.158 9.371 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.617 3.912 12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.488 5.671 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.770 6.655 11.008 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.283 5.143 10.717 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.669 5.534 10.947 1.00 0.00 C ATOM 1139 C LYS A 71 -10.576 4.313 11.066 1.00 0.00 C ATOM 1140 O LYS A 71 -11.676 4.397 11.613 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.159 6.439 9.816 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.297 7.675 9.610 1.00 0.00 C ATOM 1143 CD LYS A 71 -9.918 8.902 10.257 1.00 0.00 C ATOM 1144 CE LYS A 71 -8.874 9.968 10.545 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.487 11.312 10.725 1.00 0.00 N ATOM 0 H LYS A 71 -8.033 5.035 9.734 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.710 6.082 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.186 5.866 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.182 6.751 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.306 7.503 10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.164 7.853 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.686 9.311 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.412 8.615 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.319 9.699 11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.156 10.003 9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.741 12.010 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.995 11.581 9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.153 11.286 11.523 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.113 3.178 10.548 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.889 1.944 10.597 1.00 0.00 C ATOM 1161 C LYS A 72 -12.191 2.096 9.815 1.00 0.00 C ATOM 1162 O LYS A 72 -13.273 2.179 10.397 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.182 1.556 12.050 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.453 0.301 12.502 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.157 -0.955 12.016 1.00 0.00 C ATOM 1166 CE LYS A 72 -10.828 -2.153 12.891 1.00 0.00 C ATOM 1167 NZ LYS A 72 -11.639 -3.349 12.529 1.00 0.00 N ATOM 0 H LYS A 72 -9.206 3.088 10.090 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.302 1.150 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.902 2.384 12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.255 1.406 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.431 0.316 12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.390 0.287 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.235 -0.791 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.863 -1.163 10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.769 -2.391 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.005 -1.898 13.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.383 -4.143 13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.649 -3.131 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.452 -3.609 11.540 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.075 2.134 8.492 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.240 2.278 7.627 1.00 0.00 C ATOM 1183 C GLU A 73 -13.690 0.926 7.086 1.00 0.00 C ATOM 1184 O GLU A 73 -12.901 0.188 6.494 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.924 3.225 6.468 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.491 4.612 6.914 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.872 5.690 5.919 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.001 5.635 5.388 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.042 6.591 5.674 1.00 0.00 O ATOM 0 H GLU A 73 -11.186 2.067 7.996 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.052 2.697 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.135 2.787 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.806 3.316 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.944 4.837 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.411 4.622 7.059 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.965 0.608 7.290 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.525 -0.654 6.820 1.00 0.00 C ATOM 1198 C GLU A 74 -15.328 -0.813 5.314 1.00 0.00 C ATOM 1199 O GLU A 74 -15.338 -1.928 4.790 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.015 -0.731 7.162 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.867 0.277 6.407 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.347 0.116 6.691 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.763 0.368 7.842 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.092 -0.261 5.762 1.00 0.00 O ATOM 0 H GLU A 74 -15.630 1.208 7.778 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.999 -1.466 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.378 -1.736 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.142 -0.571 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.556 1.286 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.692 0.166 5.337 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.150 0.310 4.624 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.953 0.306 3.180 1.00 0.00 C ATOM 1213 C ILE A 75 -13.870 -0.690 2.764 1.00 0.00 C ATOM 1214 O ILE A 75 -13.887 -1.209 1.649 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.580 1.712 2.670 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.234 2.153 3.254 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.676 2.704 3.035 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.900 3.606 2.987 1.00 0.00 C ATOM 0 H ILE A 75 -15.138 1.239 5.046 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.898 0.001 2.730 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.485 1.681 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.242 1.983 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.445 1.526 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.405 3.695 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.615 2.393 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.793 2.734 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.933 3.845 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.858 3.778 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.668 4.243 3.427 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.934 -0.956 3.671 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.852 -1.894 3.397 1.00 0.00 C ATOM 1232 C ILE A 76 -12.351 -3.334 3.457 1.00 0.00 C ATOM 1233 O ILE A 76 -13.056 -3.716 4.392 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.691 -1.729 4.398 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.235 -0.270 4.452 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.529 -2.638 4.021 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.089 -0.034 5.413 1.00 0.00 C ATOM 0 H ILE A 76 -12.904 -0.536 4.600 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.490 -1.672 2.393 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.045 -2.016 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.933 0.046 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.078 0.356 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.718 -2.509 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.861 -3.676 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.175 -2.381 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.816 1.021 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.394 -0.319 6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.231 -0.634 5.110 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.980 -4.130 2.460 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.391 -5.528 2.411 1.00 0.00 C ATOM 1251 C ALA A 77 -11.201 -6.458 2.602 1.00 0.00 C ATOM 1252 O ALA A 77 -10.047 -6.045 2.478 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.086 -5.840 1.096 1.00 0.00 C ATOM 0 H ALA A 77 -11.397 -3.832 1.677 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.093 -5.693 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.384 -6.888 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.970 -5.210 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.404 -5.645 0.269 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.473 -7.735 2.904 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.425 -8.737 3.109 1.00 0.00 C ATOM 1261 C PRO A 78 -9.651 -9.037 1.831 1.00 0.00 C ATOM 1262 O PRO A 78 -10.155 -8.832 0.727 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.197 -9.978 3.562 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.585 -9.781 3.060 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.824 -8.301 3.068 1.00 0.00 C ATOM 0 HA PRO A 78 -9.677 -8.397 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.756 -10.887 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.181 -10.077 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.698 -10.188 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.306 -10.296 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.488 -7.997 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.286 -7.974 3.999 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.424 -9.529 1.985 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.590 -9.863 0.833 1.00 0.00 C ATOM 1275 C CYS A 79 -8.290 -10.885 -0.059 1.00 0.00 C ATOM 1276 O CYS A 79 -9.031 -11.741 0.425 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.232 -10.397 1.291 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.939 -10.329 0.004 1.00 0.00 S ATOM 0 H CYS A 79 -7.987 -9.704 2.890 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.427 -8.954 0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.900 -9.824 2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.350 -11.430 1.619 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.065 -10.783 -1.368 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.692 -11.692 -2.323 1.00 0.00 C ATOM 1285 C LYS A 80 -7.837 -12.933 -2.573 1.00 0.00 C ATOM 1286 O LYS A 80 -8.357 -14.045 -2.650 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.959 -10.969 -3.646 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.728 -10.300 -4.238 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.974 -9.848 -5.669 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.546 -10.909 -6.669 1.00 0.00 C ATOM 1291 NZ LYS A 80 -7.324 -10.339 -8.026 1.00 0.00 N ATOM 0 H LYS A 80 -7.455 -10.082 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.637 -12.020 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.355 -11.684 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.731 -10.215 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.450 -9.441 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.888 -10.994 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.032 -9.625 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.426 -8.925 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.629 -11.386 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.309 -11.686 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.033 -11.096 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.205 -9.906 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.578 -9.616 -7.981 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.529 -12.740 -2.710 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.621 -13.854 -2.960 1.00 0.00 C ATOM 1307 C VAL A 81 -5.533 -14.793 -1.759 1.00 0.00 C ATOM 1308 O VAL A 81 -5.049 -15.918 -1.876 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.206 -13.364 -3.321 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.229 -12.558 -4.611 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.616 -12.547 -2.183 1.00 0.00 C ATOM 0 H VAL A 81 -6.076 -11.828 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.035 -14.401 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.571 -14.236 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.220 -12.221 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.603 -13.181 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.880 -11.693 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.616 -12.210 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.250 -11.682 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.558 -13.162 -1.285 1.00 0.00 H new ATOM 1321 N TYR A 82 -6.005 -14.329 -0.604 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.976 -15.136 0.610 1.00 0.00 C ATOM 1323 C TYR A 82 -6.758 -16.432 0.419 1.00 0.00 C ATOM 1324 O TYR A 82 -6.435 -17.459 1.018 1.00 0.00 O ATOM 1325 CB TYR A 82 -6.551 -14.348 1.788 1.00 0.00 C ATOM 1326 CG TYR A 82 -6.317 -15.004 3.130 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -5.031 -15.248 3.590 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -7.385 -15.376 3.938 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -4.813 -15.847 4.816 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -7.176 -15.975 5.166 1.00 0.00 C ATOM 1331 CZ TYR A 82 -5.888 -16.209 5.600 1.00 0.00 C ATOM 1332 OH TYR A 82 -5.675 -16.804 6.822 1.00 0.00 O ATOM 0 H TYR A 82 -6.411 -13.401 -0.485 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.937 -15.387 0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.108 -13.352 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.623 -14.219 1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.186 -14.965 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.395 -15.194 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.805 -16.031 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.017 -16.258 5.782 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.537 -16.995 7.248 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.788 -16.377 -0.419 1.00 0.00 N ATOM 1343 CA TYR A 83 -8.618 -17.547 -0.690 1.00 0.00 C ATOM 1344 C TYR A 83 -8.320 -18.114 -2.075 1.00 0.00 C ATOM 1345 O TYR A 83 -8.163 -19.324 -2.241 1.00 0.00 O ATOM 1346 CB TYR A 83 -10.099 -17.183 -0.584 1.00 0.00 C ATOM 1347 CG TYR A 83 -10.640 -17.251 0.827 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -10.365 -18.339 1.645 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -11.425 -16.226 1.339 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -10.858 -18.404 2.935 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -11.922 -16.283 2.627 1.00 0.00 C ATOM 1352 CZ TYR A 83 -11.636 -17.374 3.421 1.00 0.00 C ATOM 1353 OH TYR A 83 -12.129 -17.434 4.705 1.00 0.00 O ATOM 0 H TYR A 83 -8.068 -15.535 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.384 -18.309 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.245 -16.175 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.676 -17.856 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.756 -19.147 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.651 -15.370 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.635 -19.257 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.531 -15.478 3.010 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.656 -16.629 4.891 1.00 0.00 H new ATOM 1363 N ASP A 84 -8.245 -17.231 -3.066 1.00 0.00 N ATOM 1364 CA ASP A 84 -7.967 -17.644 -4.438 1.00 0.00 C ATOM 1365 C ASP A 84 -6.616 -18.344 -4.532 1.00 0.00 C ATOM 1366 O ASP A 84 -6.029 -18.438 -5.609 1.00 0.00 O ATOM 1367 CB ASP A 84 -7.994 -16.433 -5.371 1.00 0.00 C ATOM 1368 CG ASP A 84 -8.440 -16.795 -6.775 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -9.449 -17.519 -6.909 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -7.781 -16.354 -7.739 1.00 0.00 O ATOM 0 H ASP A 84 -8.373 -16.226 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.741 -18.347 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.666 -15.678 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.000 -15.987 -5.412 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.555 -8.118 -0.583 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.244 5.666 -0.231 1.00 1.00 ZN