USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 112:sc= 1.74 USER MOD Set 1.2: A 67 THR OG1 : rot -87:sc= 0.59 USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 1.32 (180deg=0.453) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.496) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00842 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0.722 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0174 X(o=0.017,f=-0.23) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0037 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -0.617 (180deg=-1.75) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0112 USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.18) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 1.92 (180deg=1.79) USER MOD Single : A 85 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.252 9.195 -4.017 1.00 0.00 N ATOM 34 CA VAL A 3 -3.559 7.926 -4.027 1.00 0.00 C ATOM 35 C VAL A 3 -2.438 8.039 -5.069 1.00 0.00 C ATOM 36 O VAL A 3 -2.728 8.097 -6.269 1.00 0.00 O ATOM 37 CB VAL A 3 -4.632 6.851 -4.363 1.00 0.00 C ATOM 38 CG1 VAL A 3 -4.117 5.433 -4.619 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.685 6.773 -3.240 1.00 0.00 C ATOM 0 HA VAL A 3 -3.092 7.649 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.049 7.199 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.957 4.776 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.429 5.443 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.597 5.069 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.429 6.016 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.198 6.507 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.174 7.741 -3.132 1.00 0.00 H new ATOM 49 N LYS A 4 -1.173 8.143 -4.644 1.00 0.00 N ATOM 50 CA LYS A 4 -0.037 8.015 -5.562 1.00 0.00 C ATOM 51 C LYS A 4 0.215 6.521 -5.746 1.00 0.00 C ATOM 52 O LYS A 4 0.239 5.807 -4.744 1.00 0.00 O ATOM 53 CB LYS A 4 1.228 8.696 -4.995 1.00 0.00 C ATOM 54 CG LYS A 4 2.102 9.352 -6.084 1.00 0.00 C ATOM 55 CD LYS A 4 1.534 10.705 -6.545 1.00 0.00 C ATOM 56 CE LYS A 4 2.530 11.535 -7.370 1.00 0.00 C ATOM 57 NZ LYS A 4 2.809 10.963 -8.704 1.00 0.00 N ATOM 0 H LYS A 4 -0.912 8.315 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.264 8.504 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.931 9.454 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.822 7.956 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.112 9.495 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.179 8.681 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.637 10.531 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.230 11.280 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.137 12.545 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.465 11.621 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.148 11.713 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.537 10.225 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.938 10.547 -9.093 1.00 0.00 H new ATOM 71 N ILE A 5 0.425 6.072 -6.985 1.00 0.00 N ATOM 72 CA ILE A 5 0.915 4.735 -7.300 1.00 0.00 C ATOM 73 C ILE A 5 1.883 4.921 -8.465 1.00 0.00 C ATOM 74 O ILE A 5 1.452 5.412 -9.516 1.00 0.00 O ATOM 75 CB ILE A 5 -0.216 3.739 -7.677 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.396 3.734 -6.685 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.365 2.321 -7.819 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.616 2.937 -7.163 1.00 0.00 C ATOM 0 H ILE A 5 0.254 6.643 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 5 1.391 4.294 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.624 4.079 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.056 3.321 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.700 4.763 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.432 1.626 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.125 2.316 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.814 2.015 -6.874 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.400 2.984 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.985 3.362 -8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.331 1.898 -7.325 1.00 0.00 H new ATOM 90 N GLU A 6 3.149 4.542 -8.298 1.00 0.00 N ATOM 91 CA GLU A 6 4.164 4.501 -9.348 1.00 0.00 C ATOM 92 C GLU A 6 5.010 3.229 -9.210 1.00 0.00 C ATOM 93 O GLU A 6 4.894 2.495 -8.228 1.00 0.00 O ATOM 94 CB GLU A 6 5.080 5.740 -9.288 1.00 0.00 C ATOM 95 CG GLU A 6 4.326 7.077 -9.299 1.00 0.00 C ATOM 96 CD GLU A 6 5.224 8.277 -9.624 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.171 8.163 -10.443 1.00 0.00 O ATOM 98 OE2 GLU A 6 4.985 9.372 -9.064 1.00 0.00 O ATOM 0 H GLU A 6 3.509 4.243 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 6 3.652 4.498 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.688 5.686 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.765 5.714 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.520 7.026 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.862 7.233 -8.325 1.00 0.00 H new ATOM 105 N LYS A 7 5.921 2.998 -10.162 1.00 0.00 N ATOM 106 CA LYS A 7 6.949 1.960 -10.098 1.00 0.00 C ATOM 107 C LYS A 7 8.293 2.691 -9.960 1.00 0.00 C ATOM 108 O LYS A 7 8.872 3.040 -10.990 1.00 0.00 O ATOM 109 CB LYS A 7 6.928 1.023 -11.328 1.00 0.00 C ATOM 110 CG LYS A 7 5.602 0.325 -11.666 1.00 0.00 C ATOM 111 CD LYS A 7 4.567 1.273 -12.301 1.00 0.00 C ATOM 112 CE LYS A 7 3.961 0.738 -13.603 1.00 0.00 C ATOM 113 NZ LYS A 7 4.843 0.949 -14.773 1.00 0.00 N ATOM 0 H LYS A 7 5.962 3.545 -11.022 1.00 0.00 H new ATOM 0 HA LYS A 7 6.769 1.302 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.234 1.604 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.684 0.253 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.797 -0.501 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.182 -0.105 -10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.766 1.454 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.041 2.234 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.758 -0.327 -13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.004 1.228 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.385 0.569 -15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.017 1.967 -14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.748 0.460 -14.619 1.00 0.00 H new ATOM 127 N PRO A 8 8.733 3.061 -8.742 1.00 0.00 N ATOM 128 CA PRO A 8 10.022 3.724 -8.543 1.00 0.00 C ATOM 129 C PRO A 8 11.203 2.809 -8.896 1.00 0.00 C ATOM 130 O PRO A 8 11.035 1.595 -9.018 1.00 0.00 O ATOM 131 CB PRO A 8 10.045 4.151 -7.075 1.00 0.00 C ATOM 132 CG PRO A 8 8.969 3.323 -6.378 1.00 0.00 C ATOM 133 CD PRO A 8 8.030 2.861 -7.484 1.00 0.00 C ATOM 0 HA PRO A 8 10.130 4.583 -9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.024 3.970 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.842 5.217 -6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.406 2.473 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.437 3.917 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.764 1.812 -7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.101 3.431 -7.465 1.00 0.00 H new ATOM 141 N THR A 9 12.404 3.377 -9.048 1.00 0.00 N ATOM 142 CA THR A 9 13.624 2.599 -9.275 1.00 0.00 C ATOM 143 C THR A 9 14.025 1.904 -7.962 1.00 0.00 C ATOM 144 O THR A 9 13.895 2.500 -6.883 1.00 0.00 O ATOM 145 CB THR A 9 14.762 3.460 -9.879 1.00 0.00 C ATOM 146 OG1 THR A 9 16.039 2.876 -9.684 1.00 0.00 O ATOM 147 CG2 THR A 9 14.822 4.864 -9.290 1.00 0.00 C ATOM 0 H THR A 9 12.556 4.385 -9.017 1.00 0.00 H new ATOM 0 HA THR A 9 13.428 1.831 -10.023 1.00 0.00 H new ATOM 0 HB THR A 9 14.523 3.514 -10.941 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.726 3.451 -10.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.639 5.418 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.880 5.379 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.990 4.801 -8.215 1.00 0.00 H new ATOM 155 N PRO A 10 14.578 0.679 -8.032 1.00 0.00 N ATOM 156 CA PRO A 10 14.987 -0.071 -6.854 1.00 0.00 C ATOM 157 C PRO A 10 16.181 0.567 -6.145 1.00 0.00 C ATOM 158 O PRO A 10 16.267 0.483 -4.923 1.00 0.00 O ATOM 159 CB PRO A 10 15.326 -1.472 -7.365 1.00 0.00 C ATOM 160 CG PRO A 10 15.736 -1.244 -8.815 1.00 0.00 C ATOM 161 CD PRO A 10 14.826 -0.097 -9.241 1.00 0.00 C ATOM 0 HA PRO A 10 14.194 -0.089 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.133 -1.923 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.469 -2.142 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.790 -0.979 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.580 -2.134 -9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.300 0.515 -10.009 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.894 -0.473 -9.663 1.00 0.00 H new ATOM 169 N GLU A 11 17.078 1.246 -6.870 1.00 0.00 N ATOM 170 CA GLU A 11 18.246 1.900 -6.283 1.00 0.00 C ATOM 171 C GLU A 11 17.822 2.897 -5.207 1.00 0.00 C ATOM 172 O GLU A 11 18.432 2.978 -4.137 1.00 0.00 O ATOM 173 CB GLU A 11 18.986 2.711 -7.341 1.00 0.00 C ATOM 174 CG GLU A 11 19.866 1.962 -8.336 1.00 0.00 C ATOM 175 CD GLU A 11 20.795 2.994 -8.986 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.292 4.046 -9.459 1.00 0.00 O ATOM 177 OE2 GLU A 11 22.030 2.838 -8.885 1.00 0.00 O ATOM 0 H GLU A 11 17.011 1.356 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 11 18.876 1.114 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.245 3.273 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.612 3.439 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.444 1.188 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.256 1.464 -9.090 1.00 0.00 H new ATOM 184 N LYS A 12 16.785 3.681 -5.511 1.00 0.00 N ATOM 185 CA LYS A 12 16.262 4.692 -4.610 1.00 0.00 C ATOM 186 C LYS A 12 15.693 4.019 -3.365 1.00 0.00 C ATOM 187 O LYS A 12 15.847 4.530 -2.261 1.00 0.00 O ATOM 188 CB LYS A 12 15.201 5.507 -5.365 1.00 0.00 C ATOM 189 CG LYS A 12 14.778 6.797 -4.657 1.00 0.00 C ATOM 190 CD LYS A 12 15.878 7.864 -4.705 1.00 0.00 C ATOM 191 CE LYS A 12 15.349 9.125 -4.031 1.00 0.00 C ATOM 192 NZ LYS A 12 16.415 10.092 -3.747 1.00 0.00 N ATOM 0 H LYS A 12 16.286 3.626 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 12 17.048 5.371 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.587 5.758 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.320 4.883 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.874 7.187 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.531 6.577 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.774 7.509 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.159 8.074 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.600 9.590 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.849 8.855 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.008 10.933 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.117 9.659 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.876 10.371 -4.636 1.00 0.00 H new ATOM 206 N LEU A 13 15.065 2.857 -3.520 1.00 0.00 N ATOM 207 CA LEU A 13 14.527 2.108 -2.396 1.00 0.00 C ATOM 208 C LEU A 13 15.624 1.531 -1.510 1.00 0.00 C ATOM 209 O LEU A 13 15.414 1.401 -0.300 1.00 0.00 O ATOM 210 CB LEU A 13 13.604 0.996 -2.898 1.00 0.00 C ATOM 211 CG LEU A 13 12.345 1.514 -3.615 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.554 0.357 -4.225 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.423 2.303 -2.679 1.00 0.00 C ATOM 0 H LEU A 13 14.917 2.412 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 13 13.953 2.804 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.161 0.354 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.302 0.378 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 13 12.694 2.185 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.668 0.746 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.178 -0.170 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.251 -0.332 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.550 2.646 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.103 1.661 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.960 3.163 -2.279 1.00 0.00 H new ATOM 225 N LYS A 14 16.809 1.232 -2.055 1.00 0.00 N ATOM 226 CA LYS A 14 17.961 0.887 -1.226 1.00 0.00 C ATOM 227 C LYS A 14 18.203 2.021 -0.228 1.00 0.00 C ATOM 228 O LYS A 14 18.203 1.774 0.980 1.00 0.00 O ATOM 229 CB LYS A 14 19.205 0.546 -2.056 1.00 0.00 C ATOM 230 CG LYS A 14 18.890 -0.494 -3.148 1.00 0.00 C ATOM 231 CD LYS A 14 20.102 -1.325 -3.557 1.00 0.00 C ATOM 232 CE LYS A 14 21.248 -0.468 -4.103 1.00 0.00 C ATOM 233 NZ LYS A 14 22.443 -1.266 -4.439 1.00 0.00 N ATOM 0 H LYS A 14 16.991 1.223 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 14 17.743 -0.027 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.595 1.453 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.986 0.161 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.105 -1.160 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.497 0.019 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.456 -1.892 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.802 -2.049 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.908 0.063 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.516 0.287 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 23.188 -0.639 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.787 -1.752 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 22.198 -1.970 -5.164 1.00 0.00 H new ATOM 247 N GLU A 15 18.272 3.259 -0.729 1.00 0.00 N ATOM 248 CA GLU A 15 18.577 4.456 0.060 1.00 0.00 C ATOM 249 C GLU A 15 17.538 4.666 1.160 1.00 0.00 C ATOM 250 O GLU A 15 17.898 4.813 2.328 1.00 0.00 O ATOM 251 CB GLU A 15 18.608 5.716 -0.810 1.00 0.00 C ATOM 252 CG GLU A 15 19.762 5.764 -1.804 1.00 0.00 C ATOM 253 CD GLU A 15 21.086 6.198 -1.172 1.00 0.00 C ATOM 254 OE1 GLU A 15 21.183 7.370 -0.729 1.00 0.00 O ATOM 255 OE2 GLU A 15 22.046 5.399 -1.200 1.00 0.00 O ATOM 0 H GLU A 15 18.114 3.460 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 15 19.562 4.293 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.669 5.788 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.666 6.590 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.887 4.779 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.509 6.452 -2.611 1.00 0.00 H new ATOM 262 N LEU A 16 16.255 4.679 0.771 1.00 0.00 N ATOM 263 CA LEU A 16 15.096 4.898 1.638 1.00 0.00 C ATOM 264 C LEU A 16 15.030 3.906 2.801 1.00 0.00 C ATOM 265 O LEU A 16 14.434 4.223 3.841 1.00 0.00 O ATOM 266 CB LEU A 16 13.813 4.897 0.791 1.00 0.00 C ATOM 267 CG LEU A 16 13.600 6.028 -0.226 1.00 0.00 C ATOM 268 CD1 LEU A 16 12.294 5.769 -0.991 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.529 7.381 0.475 1.00 0.00 C ATOM 0 H LEU A 16 15.988 4.530 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 16 15.201 5.876 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.776 3.953 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.965 4.904 1.476 1.00 0.00 H new ATOM 0 HG LEU A 16 14.442 6.048 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.133 6.567 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.360 4.813 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.460 5.743 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.378 8.167 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.698 7.382 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.460 7.562 1.011 1.00 0.00 H new ATOM 281 N SER A 17 15.713 2.768 2.659 1.00 0.00 N ATOM 282 CA SER A 17 15.960 1.773 3.680 1.00 0.00 C ATOM 283 C SER A 17 14.702 0.957 3.970 1.00 0.00 C ATOM 284 O SER A 17 14.394 0.709 5.128 1.00 0.00 O ATOM 285 CB SER A 17 16.640 2.396 4.911 1.00 0.00 C ATOM 286 OG SER A 17 17.624 1.512 5.402 1.00 0.00 O ATOM 0 H SER A 17 16.132 2.509 1.765 1.00 0.00 H new ATOM 0 HA SER A 17 16.681 1.044 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.094 3.351 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.900 2.599 5.685 1.00 0.00 H new ATOM 0 HG SER A 17 18.059 1.909 6.185 1.00 0.00 H new ATOM 292 N VAL A 18 13.952 0.554 2.933 1.00 0.00 N ATOM 293 CA VAL A 18 12.654 -0.123 3.106 1.00 0.00 C ATOM 294 C VAL A 18 12.799 -1.357 4.014 1.00 0.00 C ATOM 295 O VAL A 18 11.905 -1.633 4.803 1.00 0.00 O ATOM 296 CB VAL A 18 11.971 -0.530 1.770 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.459 -0.591 2.010 1.00 0.00 C ATOM 298 CG2 VAL A 18 12.146 0.341 0.520 1.00 0.00 C ATOM 0 H VAL A 18 14.223 0.686 1.959 1.00 0.00 H new ATOM 0 HA VAL A 18 12.002 0.613 3.577 1.00 0.00 H new ATOM 0 HB VAL A 18 12.483 -1.463 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.955 -0.875 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.243 -1.329 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.102 0.387 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.598 -0.102 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.761 1.342 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.204 0.403 0.265 1.00 0.00 H new ATOM 308 N GLU A 19 13.938 -2.057 3.982 1.00 0.00 N ATOM 309 CA GLU A 19 14.161 -3.212 4.852 1.00 0.00 C ATOM 310 C GLU A 19 14.049 -2.894 6.349 1.00 0.00 C ATOM 311 O GLU A 19 13.773 -3.797 7.146 1.00 0.00 O ATOM 312 CB GLU A 19 15.536 -3.838 4.584 1.00 0.00 C ATOM 313 CG GLU A 19 16.722 -2.874 4.700 1.00 0.00 C ATOM 314 CD GLU A 19 17.956 -3.620 5.217 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.448 -4.554 4.547 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.428 -3.272 6.323 1.00 0.00 O ATOM 0 H GLU A 19 14.719 -1.842 3.362 1.00 0.00 H new ATOM 0 HA GLU A 19 13.363 -3.913 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.686 -4.660 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.533 -4.268 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.936 -2.430 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.472 -2.056 5.376 1.00 0.00 H new ATOM 323 N LYS A 20 14.273 -1.635 6.743 1.00 0.00 N ATOM 324 CA LYS A 20 14.373 -1.235 8.144 1.00 0.00 C ATOM 325 C LYS A 20 12.991 -0.993 8.745 1.00 0.00 C ATOM 326 O LYS A 20 12.867 -0.691 9.933 1.00 0.00 O ATOM 327 CB LYS A 20 15.405 -0.128 8.321 1.00 0.00 C ATOM 328 CG LYS A 20 14.940 1.290 8.394 1.00 0.00 C ATOM 329 CD LYS A 20 16.150 2.191 8.697 1.00 0.00 C ATOM 330 CE LYS A 20 15.903 3.616 8.214 1.00 0.00 C ATOM 331 NZ LYS A 20 15.324 4.484 9.260 1.00 0.00 N ATOM 0 H LYS A 20 14.390 -0.861 6.089 1.00 0.00 H new ATOM 0 HA LYS A 20 14.770 -2.053 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.961 -0.339 9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.111 -0.201 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.476 1.584 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.183 1.400 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.346 2.195 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.039 1.788 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.844 4.047 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.232 3.592 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.177 5.439 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.412 4.092 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.974 4.532 10.070 1.00 0.00 H new ATOM 345 N TRP A 21 11.969 -1.064 7.900 1.00 0.00 N ATOM 346 CA TRP A 21 10.620 -0.671 8.205 1.00 0.00 C ATOM 347 C TRP A 21 9.907 -1.878 8.826 1.00 0.00 C ATOM 348 O TRP A 21 10.373 -3.013 8.684 1.00 0.00 O ATOM 349 CB TRP A 21 9.955 -0.228 6.896 1.00 0.00 C ATOM 350 CG TRP A 21 10.547 0.967 6.207 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.782 1.495 6.403 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.941 1.757 5.141 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.931 2.605 5.605 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.830 2.816 4.804 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.742 1.672 4.400 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.537 3.739 3.789 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.428 2.606 3.391 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.330 3.643 3.082 1.00 0.00 C ATOM 0 H TRP A 21 12.074 -1.413 6.947 1.00 0.00 H new ATOM 0 HA TRP A 21 10.578 0.156 8.913 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.980 -1.068 6.201 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.906 -0.016 7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.529 1.105 7.078 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.758 3.201 5.606 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.048 0.872 4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.241 4.523 3.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.494 2.526 2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.094 4.358 2.307 1.00 0.00 H new ATOM 369 N PRO A 22 8.750 -1.683 9.466 1.00 0.00 N ATOM 370 CA PRO A 22 7.893 -2.792 9.846 1.00 0.00 C ATOM 371 C PRO A 22 7.313 -3.481 8.599 1.00 0.00 C ATOM 372 O PRO A 22 6.830 -2.829 7.664 1.00 0.00 O ATOM 373 CB PRO A 22 6.823 -2.163 10.736 1.00 0.00 C ATOM 374 CG PRO A 22 6.730 -0.726 10.237 1.00 0.00 C ATOM 375 CD PRO A 22 8.179 -0.411 9.876 1.00 0.00 C ATOM 0 HA PRO A 22 8.423 -3.582 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.869 -2.681 10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.104 -2.203 11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.068 -0.637 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.347 -0.053 11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.235 0.324 9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.716 0.006 10.728 1.00 0.00 H new ATOM 383 N ILE A 23 7.339 -4.815 8.594 1.00 0.00 N ATOM 384 CA ILE A 23 6.555 -5.637 7.680 1.00 0.00 C ATOM 385 C ILE A 23 5.134 -5.671 8.243 1.00 0.00 C ATOM 386 O ILE A 23 4.944 -5.795 9.459 1.00 0.00 O ATOM 387 CB ILE A 23 7.167 -7.060 7.561 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.530 -6.974 6.833 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.223 -8.025 6.805 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.283 -8.303 6.693 1.00 0.00 C ATOM 0 H ILE A 23 7.915 -5.360 9.236 1.00 0.00 H new ATOM 0 HA ILE A 23 6.553 -5.226 6.671 1.00 0.00 H new ATOM 0 HB ILE A 23 7.308 -7.456 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.366 -6.561 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.166 -6.270 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.685 -9.010 6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.276 -8.102 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.042 -7.644 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.224 -8.135 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.486 -8.712 7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.674 -9.008 6.127 1.00 0.00 H new ATOM 402 N TRP A 24 4.137 -5.656 7.362 1.00 0.00 N ATOM 403 CA TRP A 24 2.767 -6.046 7.665 1.00 0.00 C ATOM 404 C TRP A 24 2.354 -7.090 6.627 1.00 0.00 C ATOM 405 O TRP A 24 2.851 -7.073 5.498 1.00 0.00 O ATOM 406 CB TRP A 24 1.900 -4.780 7.668 1.00 0.00 C ATOM 407 CG TRP A 24 0.406 -4.900 7.747 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.358 -4.523 8.796 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.535 -5.316 6.714 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.692 -4.657 8.469 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.860 -5.075 7.171 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.404 -5.840 5.416 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.985 -5.260 6.351 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.521 -6.079 4.604 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.809 -5.756 5.050 1.00 0.00 C ATOM 0 H TRP A 24 4.265 -5.364 6.393 1.00 0.00 H new ATOM 0 HA TRP A 24 2.650 -6.502 8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.222 -4.167 8.510 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.134 -4.223 6.761 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.018 -4.171 9.745 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.460 -4.469 9.113 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.582 -6.064 5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.973 -5.024 6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.388 -6.516 3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.660 -5.888 4.398 1.00 0.00 H new ATOM 426 N GLU A 25 1.420 -7.969 6.980 1.00 0.00 N ATOM 427 CA GLU A 25 0.853 -8.985 6.098 1.00 0.00 C ATOM 428 C GLU A 25 -0.586 -9.291 6.527 1.00 0.00 C ATOM 429 O GLU A 25 -0.980 -8.991 7.658 1.00 0.00 O ATOM 430 CB GLU A 25 1.726 -10.252 6.109 1.00 0.00 C ATOM 431 CG GLU A 25 2.265 -10.622 7.507 1.00 0.00 C ATOM 432 CD GLU A 25 2.506 -12.116 7.707 1.00 0.00 C ATOM 433 OE1 GLU A 25 1.644 -12.930 7.296 1.00 0.00 O ATOM 434 OE2 GLU A 25 3.545 -12.485 8.310 1.00 0.00 O ATOM 0 H GLU A 25 1.024 -7.994 7.920 1.00 0.00 H new ATOM 0 HA GLU A 25 0.834 -8.609 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.143 -11.087 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.567 -10.109 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.200 -10.088 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.558 -10.275 8.261 1.00 0.00 H new ATOM 441 N LYS A 26 -1.378 -9.917 5.650 1.00 0.00 N ATOM 442 CA LYS A 26 -2.769 -10.297 5.899 1.00 0.00 C ATOM 443 C LYS A 26 -3.097 -11.560 5.125 1.00 0.00 C ATOM 444 O LYS A 26 -2.456 -11.848 4.114 1.00 0.00 O ATOM 445 CB LYS A 26 -3.716 -9.167 5.442 1.00 0.00 C ATOM 446 CG LYS A 26 -4.404 -8.463 6.616 1.00 0.00 C ATOM 447 CD LYS A 26 -5.558 -9.302 7.169 1.00 0.00 C ATOM 448 CE LYS A 26 -6.210 -8.613 8.379 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.966 -9.566 9.216 1.00 0.00 N ATOM 0 H LYS A 26 -1.057 -10.181 4.719 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.901 -10.471 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.150 -8.435 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.474 -9.580 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.677 -8.275 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.780 -7.493 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.304 -9.459 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.190 -10.286 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.439 -8.133 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.879 -7.826 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.577 -9.041 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.552 -10.173 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.302 -10.156 9.757 1.00 0.00 H new ATOM 463 N GLU A 27 -4.127 -12.258 5.593 1.00 0.00 N ATOM 464 CA GLU A 27 -4.770 -13.338 4.865 1.00 0.00 C ATOM 465 C GLU A 27 -5.544 -12.831 3.655 1.00 0.00 C ATOM 466 O GLU A 27 -5.755 -11.629 3.474 1.00 0.00 O ATOM 467 CB GLU A 27 -5.676 -14.141 5.805 1.00 0.00 C ATOM 468 CG GLU A 27 -6.951 -13.489 6.357 1.00 0.00 C ATOM 469 CD GLU A 27 -6.712 -12.487 7.477 1.00 0.00 C ATOM 470 OE1 GLU A 27 -5.616 -12.503 8.097 1.00 0.00 O ATOM 471 OE2 GLU A 27 -7.591 -11.621 7.670 1.00 0.00 O ATOM 0 H GLU A 27 -4.544 -12.082 6.507 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.989 -13.996 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.973 -15.048 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.071 -14.451 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.470 -12.986 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.616 -14.272 6.722 1.00 0.00 H new ATOM 478 N VAL A 28 -5.994 -13.784 2.845 1.00 0.00 N ATOM 479 CA VAL A 28 -6.775 -13.575 1.642 1.00 0.00 C ATOM 480 C VAL A 28 -8.229 -13.407 2.082 1.00 0.00 C ATOM 481 O VAL A 28 -9.060 -14.316 1.980 1.00 0.00 O ATOM 482 CB VAL A 28 -6.525 -14.748 0.673 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.164 -14.483 -0.697 1.00 0.00 C ATOM 484 CG2 VAL A 28 -5.018 -14.973 0.483 1.00 0.00 C ATOM 0 H VAL A 28 -5.812 -14.772 3.024 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.493 -12.678 1.090 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.980 -15.636 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.971 -15.328 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.240 -14.354 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.736 -13.578 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.858 -15.804 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.564 -14.071 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.560 -15.204 1.445 1.00 0.00 H new ATOM 494 N SER A 29 -8.518 -12.245 2.650 1.00 0.00 N ATOM 495 CA SER A 29 -9.837 -11.833 3.066 1.00 0.00 C ATOM 496 C SER A 29 -9.936 -10.322 2.841 1.00 0.00 C ATOM 497 O SER A 29 -9.072 -9.716 2.196 1.00 0.00 O ATOM 498 CB SER A 29 -10.079 -12.288 4.514 1.00 0.00 C ATOM 499 OG SER A 29 -11.474 -12.303 4.766 1.00 0.00 O ATOM 0 H SER A 29 -7.806 -11.540 2.838 1.00 0.00 H new ATOM 0 HA SER A 29 -10.632 -12.299 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.657 -13.281 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.578 -11.614 5.209 1.00 0.00 H new ATOM 0 HG SER A 29 -11.637 -12.594 5.688 1.00 0.00 H new ATOM 505 N GLU A 30 -11.026 -9.701 3.289 1.00 0.00 N ATOM 506 CA GLU A 30 -11.302 -8.324 2.930 1.00 0.00 C ATOM 507 C GLU A 30 -12.077 -7.577 4.002 1.00 0.00 C ATOM 508 O GLU A 30 -12.869 -8.145 4.766 1.00 0.00 O ATOM 509 CB GLU A 30 -12.012 -8.297 1.580 1.00 0.00 C ATOM 510 CG GLU A 30 -13.402 -8.960 1.549 1.00 0.00 C ATOM 511 CD GLU A 30 -14.483 -8.001 1.056 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.564 -6.861 1.560 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.264 -8.371 0.147 1.00 0.00 O ATOM 0 H GLU A 30 -11.723 -10.131 3.896 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.354 -7.792 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.117 -7.259 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.377 -8.791 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.371 -9.836 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.658 -9.312 2.548 1.00 0.00 H new ATOM 520 N PHE A 31 -11.803 -6.282 4.044 1.00 0.00 N ATOM 521 CA PHE A 31 -12.103 -5.381 5.136 1.00 0.00 C ATOM 522 C PHE A 31 -12.148 -3.956 4.578 1.00 0.00 C ATOM 523 O PHE A 31 -12.183 -3.750 3.360 1.00 0.00 O ATOM 524 CB PHE A 31 -11.046 -5.589 6.241 1.00 0.00 C ATOM 525 CG PHE A 31 -9.590 -5.698 5.806 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.816 -4.536 5.625 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.993 -6.964 5.627 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.459 -4.629 5.271 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.640 -7.060 5.253 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.877 -5.893 5.073 1.00 0.00 C ATOM 0 H PHE A 31 -11.338 -5.809 3.269 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.075 -5.576 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.126 -4.760 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.303 -6.497 6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.269 -3.565 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.576 -7.861 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.867 -3.734 5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.188 -8.029 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.840 -5.968 4.781 1.00 0.00 H new ATOM 540 N ASP A 32 -12.172 -2.952 5.448 1.00 0.00 N ATOM 541 CA ASP A 32 -11.929 -1.567 5.085 1.00 0.00 C ATOM 542 C ASP A 32 -10.724 -1.065 5.863 1.00 0.00 C ATOM 543 O ASP A 32 -10.327 -1.678 6.860 1.00 0.00 O ATOM 544 CB ASP A 32 -13.191 -0.710 5.261 1.00 0.00 C ATOM 545 CG ASP A 32 -13.735 -0.516 6.683 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.017 -0.664 7.695 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.937 -0.180 6.773 1.00 0.00 O ATOM 0 H ASP A 32 -12.364 -3.084 6.441 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.692 -1.488 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.986 0.276 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.983 -1.153 4.658 1.00 0.00 H new ATOM 552 N TRP A 33 -10.100 0.018 5.404 1.00 0.00 N ATOM 553 CA TRP A 33 -9.043 0.678 6.152 1.00 0.00 C ATOM 554 C TRP A 33 -9.309 2.175 6.282 1.00 0.00 C ATOM 555 O TRP A 33 -10.198 2.735 5.626 1.00 0.00 O ATOM 556 CB TRP A 33 -7.650 0.358 5.570 1.00 0.00 C ATOM 557 CG TRP A 33 -6.607 0.364 6.640 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.664 1.312 6.839 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.531 -0.529 7.787 1.00 0.00 C ATOM 560 NE1 TRP A 33 -5.001 1.054 8.023 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.552 -0.022 8.687 1.00 0.00 C ATOM 562 CE3 TRP A 33 -7.257 -1.668 8.190 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -5.344 -0.597 9.948 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -7.066 -2.244 9.456 1.00 0.00 C ATOM 565 CH2 TRP A 33 -6.118 -1.701 10.337 1.00 0.00 C ATOM 0 H TRP A 33 -10.314 0.457 4.509 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.044 0.277 7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.671 -0.617 5.083 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.395 1.091 4.805 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.461 2.141 6.177 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.204 1.592 8.364 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.974 -2.106 7.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -4.595 -0.194 10.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.648 -3.104 9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.984 -2.134 11.317 1.00 0.00 H new ATOM 576 N TYR A 34 -8.528 2.811 7.156 1.00 0.00 N ATOM 577 CA TYR A 34 -8.552 4.230 7.433 1.00 0.00 C ATOM 578 C TYR A 34 -7.110 4.691 7.656 1.00 0.00 C ATOM 579 O TYR A 34 -6.573 4.594 8.761 1.00 0.00 O ATOM 580 CB TYR A 34 -9.468 4.507 8.632 1.00 0.00 C ATOM 581 CG TYR A 34 -10.065 5.898 8.625 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.265 7.036 8.844 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.448 6.043 8.423 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.846 8.317 8.845 1.00 0.00 C ATOM 585 CE2 TYR A 34 -12.040 7.313 8.449 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.242 8.456 8.653 1.00 0.00 C ATOM 587 OH TYR A 34 -11.834 9.680 8.632 1.00 0.00 O ATOM 0 H TYR A 34 -7.830 2.317 7.713 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.963 4.797 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.274 3.774 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.901 4.368 9.552 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.204 6.925 9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.059 5.170 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.229 9.192 8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.106 7.415 8.313 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.798 9.575 8.488 1.00 0.00 H new ATOM 597 N TYR A 35 -6.433 5.150 6.605 1.00 0.00 N ATOM 598 CA TYR A 35 -5.124 5.778 6.760 1.00 0.00 C ATOM 599 C TYR A 35 -5.348 7.149 7.396 1.00 0.00 C ATOM 600 O TYR A 35 -6.069 7.973 6.827 1.00 0.00 O ATOM 601 CB TYR A 35 -4.386 5.843 5.417 1.00 0.00 C ATOM 602 CG TYR A 35 -4.111 4.458 4.862 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.131 3.642 5.458 1.00 0.00 C ATOM 604 CD2 TYR A 35 -4.915 3.934 3.835 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.960 2.315 5.031 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.768 2.597 3.423 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.772 1.788 4.004 1.00 0.00 C ATOM 608 OH TYR A 35 -3.625 0.496 3.605 1.00 0.00 O ATOM 0 H TYR A 35 -6.767 5.099 5.643 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.477 5.191 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.981 6.411 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.445 6.378 5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.508 4.038 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.652 4.563 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.204 1.695 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.418 2.191 2.662 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.265 0.300 2.889 1.00 0.00 H new ATOM 618 N ASP A 36 -4.781 7.374 8.585 1.00 0.00 N ATOM 619 CA ASP A 36 -4.943 8.590 9.384 1.00 0.00 C ATOM 620 C ASP A 36 -3.644 9.392 9.462 1.00 0.00 C ATOM 621 O ASP A 36 -3.690 10.530 9.929 1.00 0.00 O ATOM 622 CB ASP A 36 -5.563 8.313 10.773 1.00 0.00 C ATOM 623 CG ASP A 36 -4.627 7.838 11.896 1.00 0.00 C ATOM 624 OD1 ASP A 36 -3.435 7.558 11.662 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.096 7.739 13.059 1.00 0.00 O ATOM 0 H ASP A 36 -4.174 6.688 9.033 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.666 9.217 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.052 9.227 11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.343 7.562 10.647 1.00 0.00 H new ATOM 630 N THR A 37 -2.543 8.868 8.916 1.00 0.00 N ATOM 631 CA THR A 37 -1.301 9.562 8.600 1.00 0.00 C ATOM 632 C THR A 37 -0.718 9.031 7.300 1.00 0.00 C ATOM 633 O THR A 37 -1.240 8.093 6.695 1.00 0.00 O ATOM 634 CB THR A 37 -0.291 9.538 9.764 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.465 8.455 10.648 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.413 10.865 10.516 1.00 0.00 C ATOM 0 H THR A 37 -2.498 7.880 8.668 1.00 0.00 H new ATOM 0 HA THR A 37 -1.535 10.616 8.453 1.00 0.00 H new ATOM 0 HB THR A 37 0.705 9.406 9.342 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.208 8.501 11.359 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.291 10.878 11.348 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.190 11.689 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.428 10.975 10.898 1.00 0.00 H new ATOM 644 N ASN A 38 0.334 9.713 6.852 1.00 0.00 N ATOM 645 CA ASN A 38 1.125 9.379 5.689 1.00 0.00 C ATOM 646 C ASN A 38 1.739 8.016 5.979 1.00 0.00 C ATOM 647 O ASN A 38 2.619 7.909 6.832 1.00 0.00 O ATOM 648 CB ASN A 38 2.220 10.436 5.450 1.00 0.00 C ATOM 649 CG ASN A 38 1.767 11.864 5.706 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.217 12.527 4.827 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.963 12.356 6.922 1.00 0.00 N ATOM 0 H ASN A 38 0.668 10.555 7.321 1.00 0.00 H new ATOM 0 HA ASN A 38 0.515 9.355 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.071 10.215 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.570 10.356 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.656 13.303 7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.421 11.788 7.634 1.00 0.00 H new ATOM 658 N GLU A 39 1.253 6.974 5.312 1.00 0.00 N ATOM 659 CA GLU A 39 1.676 5.603 5.552 1.00 0.00 C ATOM 660 C GLU A 39 2.237 5.025 4.257 1.00 0.00 C ATOM 661 O GLU A 39 1.521 4.334 3.520 1.00 0.00 O ATOM 662 CB GLU A 39 0.505 4.775 6.084 1.00 0.00 C ATOM 663 CG GLU A 39 1.060 3.389 6.439 1.00 0.00 C ATOM 664 CD GLU A 39 0.028 2.462 7.078 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.726 2.869 7.990 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.059 1.307 6.599 1.00 0.00 O ATOM 0 H GLU A 39 0.546 7.061 4.582 1.00 0.00 H new ATOM 0 HA GLU A 39 2.459 5.578 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.064 5.250 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.282 4.695 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.447 2.919 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.901 3.508 7.122 1.00 0.00 H new ATOM 673 N THR A 40 3.448 5.418 3.868 1.00 0.00 N ATOM 674 CA THR A 40 3.980 4.959 2.593 1.00 0.00 C ATOM 675 C THR A 40 4.225 3.462 2.704 1.00 0.00 C ATOM 676 O THR A 40 4.747 3.009 3.724 1.00 0.00 O ATOM 677 CB THR A 40 5.240 5.754 2.206 1.00 0.00 C ATOM 678 OG1 THR A 40 4.862 7.065 1.837 1.00 0.00 O ATOM 679 CG2 THR A 40 6.002 5.188 1.009 1.00 0.00 C ATOM 0 H THR A 40 4.062 6.035 4.401 1.00 0.00 H new ATOM 0 HA THR A 40 3.269 5.135 1.786 1.00 0.00 H new ATOM 0 HB THR A 40 5.888 5.709 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.198 7.702 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.874 5.809 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.325 4.171 1.231 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.351 5.180 0.134 1.00 0.00 H new ATOM 687 N CYS A 41 3.843 2.690 1.686 1.00 0.00 N ATOM 688 CA CYS A 41 4.019 1.252 1.711 1.00 0.00 C ATOM 689 C CYS A 41 4.399 0.748 0.330 1.00 0.00 C ATOM 690 O CYS A 41 4.097 1.383 -0.682 1.00 0.00 O ATOM 691 CB CYS A 41 2.755 0.570 2.248 1.00 0.00 C ATOM 692 SG CYS A 41 1.351 0.791 1.122 1.00 0.00 S ATOM 0 H CYS A 41 3.409 3.046 0.834 1.00 0.00 H new ATOM 0 HA CYS A 41 4.835 0.999 2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.946 -0.494 2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.506 0.981 3.226 1.00 0.00 H new ATOM 0 HG CYS A 41 0.304 0.197 1.613 1.00 0.00 H new ATOM 698 N TYR A 42 5.056 -0.406 0.298 1.00 0.00 N ATOM 699 CA TYR A 42 5.662 -0.931 -0.908 1.00 0.00 C ATOM 700 C TYR A 42 5.300 -2.393 -1.086 1.00 0.00 C ATOM 701 O TYR A 42 5.554 -3.200 -0.191 1.00 0.00 O ATOM 702 CB TYR A 42 7.173 -0.733 -0.840 1.00 0.00 C ATOM 703 CG TYR A 42 7.850 -1.196 -2.106 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.412 -0.709 -3.347 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.865 -2.159 -2.051 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.004 -1.125 -4.538 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.467 -2.597 -3.249 1.00 0.00 C ATOM 708 CZ TYR A 42 9.031 -2.084 -4.497 1.00 0.00 C ATOM 709 OH TYR A 42 9.571 -2.501 -5.673 1.00 0.00 O ATOM 0 H TYR A 42 5.181 -1.003 1.116 1.00 0.00 H new ATOM 0 HA TYR A 42 5.281 -0.392 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.395 0.321 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.575 -1.283 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 42 6.600 0.002 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.184 -2.562 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.677 -0.715 -5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.263 -3.326 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 42 10.271 -3.164 -5.495 1.00 0.00 H new ATOM 719 N ILE A 43 4.658 -2.714 -2.208 1.00 0.00 N ATOM 720 CA ILE A 43 4.134 -4.038 -2.490 1.00 0.00 C ATOM 721 C ILE A 43 5.292 -4.902 -2.992 1.00 0.00 C ATOM 722 O ILE A 43 5.974 -4.535 -3.945 1.00 0.00 O ATOM 723 CB ILE A 43 2.980 -3.941 -3.508 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.948 -2.823 -3.209 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.247 -5.288 -3.599 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.362 -2.802 -1.790 1.00 0.00 C ATOM 0 H ILE A 43 4.487 -2.044 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 43 3.717 -4.500 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 43 3.451 -3.680 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.422 -1.860 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.125 -2.918 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.433 -5.211 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.945 -6.061 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.842 -5.549 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.654 -1.978 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.849 -3.744 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.166 -2.669 -1.066 1.00 0.00 H new ATOM 738 N LEU A 44 5.516 -6.042 -2.336 1.00 0.00 N ATOM 739 CA LEU A 44 6.715 -6.870 -2.498 1.00 0.00 C ATOM 740 C LEU A 44 6.361 -8.287 -2.924 1.00 0.00 C ATOM 741 O LEU A 44 7.082 -8.908 -3.698 1.00 0.00 O ATOM 742 CB LEU A 44 7.456 -6.921 -1.157 1.00 0.00 C ATOM 743 CG LEU A 44 8.165 -5.592 -0.847 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.222 -5.354 0.661 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.574 -5.583 -1.447 1.00 0.00 C ATOM 0 H LEU A 44 4.854 -6.425 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 44 7.340 -6.429 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.749 -7.151 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.188 -7.728 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 44 7.593 -4.783 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.727 -4.409 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.209 -5.316 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.771 -6.167 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.061 -4.635 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.155 -6.402 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.510 -5.706 -2.528 1.00 0.00 H new ATOM 757 N GLU A 45 5.226 -8.788 -2.452 1.00 0.00 N ATOM 758 CA GLU A 45 4.523 -9.968 -2.918 1.00 0.00 C ATOM 759 C GLU A 45 3.058 -9.742 -2.534 1.00 0.00 C ATOM 760 O GLU A 45 2.772 -8.898 -1.671 1.00 0.00 O ATOM 761 CB GLU A 45 5.115 -11.244 -2.290 1.00 0.00 C ATOM 762 CG GLU A 45 5.009 -11.333 -0.763 1.00 0.00 C ATOM 763 CD GLU A 45 5.678 -12.596 -0.211 1.00 0.00 C ATOM 764 OE1 GLU A 45 5.383 -13.724 -0.672 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.502 -12.511 0.725 1.00 0.00 O ATOM 0 H GLU A 45 4.739 -8.343 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 45 4.619 -10.114 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.613 -12.109 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.166 -11.312 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.472 -10.453 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.959 -11.323 -0.472 1.00 0.00 H new ATOM 772 N GLY A 46 2.151 -10.492 -3.154 1.00 0.00 N ATOM 773 CA GLY A 46 0.723 -10.451 -2.889 1.00 0.00 C ATOM 774 C GLY A 46 0.037 -9.299 -3.611 1.00 0.00 C ATOM 775 O GLY A 46 0.661 -8.502 -4.322 1.00 0.00 O ATOM 0 H GLY A 46 2.402 -11.166 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.270 -11.393 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.557 -10.356 -1.816 1.00 0.00 H new ATOM 779 N LYS A 47 -1.289 -9.242 -3.472 1.00 0.00 N ATOM 780 CA LYS A 47 -2.135 -8.562 -4.441 1.00 0.00 C ATOM 781 C LYS A 47 -3.350 -7.971 -3.754 1.00 0.00 C ATOM 782 O LYS A 47 -3.915 -8.607 -2.864 1.00 0.00 O ATOM 783 CB LYS A 47 -2.571 -9.590 -5.493 1.00 0.00 C ATOM 784 CG LYS A 47 -2.662 -8.949 -6.883 1.00 0.00 C ATOM 785 CD LYS A 47 -4.063 -8.409 -7.182 1.00 0.00 C ATOM 786 CE LYS A 47 -4.086 -6.962 -7.658 1.00 0.00 C ATOM 787 NZ LYS A 47 -3.183 -6.756 -8.823 1.00 0.00 N ATOM 0 H LYS A 47 -1.797 -9.662 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.586 -7.748 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.861 -10.416 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.539 -10.009 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.939 -8.137 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.390 -9.685 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.528 -9.037 -7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.672 -8.494 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.104 -6.684 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.785 -6.305 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.780 -5.798 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.414 -7.456 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.722 -6.870 -9.705 1.00 0.00 H new ATOM 801 N VAL A 48 -3.813 -6.806 -4.208 1.00 0.00 N ATOM 802 CA VAL A 48 -4.933 -6.122 -3.569 1.00 0.00 C ATOM 803 C VAL A 48 -5.812 -5.430 -4.619 1.00 0.00 C ATOM 804 O VAL A 48 -5.297 -4.980 -5.652 1.00 0.00 O ATOM 805 CB VAL A 48 -4.380 -5.107 -2.524 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.438 -4.338 -1.715 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.462 -5.743 -1.478 1.00 0.00 C ATOM 0 H VAL A 48 -3.428 -6.318 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.562 -6.847 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.843 -4.420 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.943 -3.661 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.068 -3.764 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.054 -5.044 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.115 -4.977 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.011 -6.508 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.605 -6.198 -1.975 1.00 0.00 H new ATOM 817 N GLU A 49 -7.105 -5.268 -4.319 1.00 0.00 N ATOM 818 CA GLU A 49 -7.994 -4.227 -4.837 1.00 0.00 C ATOM 819 C GLU A 49 -8.283 -3.263 -3.672 1.00 0.00 C ATOM 820 O GLU A 49 -8.695 -3.700 -2.596 1.00 0.00 O ATOM 821 CB GLU A 49 -9.321 -4.812 -5.374 1.00 0.00 C ATOM 822 CG GLU A 49 -9.429 -4.758 -6.906 1.00 0.00 C ATOM 823 CD GLU A 49 -10.844 -5.072 -7.425 1.00 0.00 C ATOM 824 OE1 GLU A 49 -11.558 -5.898 -6.816 1.00 0.00 O ATOM 825 OE2 GLU A 49 -11.261 -4.545 -8.482 1.00 0.00 O ATOM 0 H GLU A 49 -7.584 -5.895 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.514 -3.719 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.414 -5.847 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.156 -4.263 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.134 -3.767 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.724 -5.468 -7.339 1.00 0.00 H new ATOM 832 N VAL A 50 -8.090 -1.960 -3.850 1.00 0.00 N ATOM 833 CA VAL A 50 -8.504 -0.918 -2.905 1.00 0.00 C ATOM 834 C VAL A 50 -9.700 -0.219 -3.556 1.00 0.00 C ATOM 835 O VAL A 50 -9.671 -0.022 -4.766 1.00 0.00 O ATOM 836 CB VAL A 50 -7.317 0.036 -2.626 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.693 1.182 -1.677 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.114 -0.708 -2.016 1.00 0.00 C ATOM 0 H VAL A 50 -7.628 -1.585 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.797 -1.314 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.048 0.447 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.824 1.820 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.499 1.770 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.023 0.771 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.303 -0.002 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.411 -1.168 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.776 -1.481 -2.707 1.00 0.00 H new ATOM 848 N THR A 51 -10.742 0.141 -2.800 1.00 0.00 N ATOM 849 CA THR A 51 -11.984 0.683 -3.364 1.00 0.00 C ATOM 850 C THR A 51 -12.452 1.880 -2.529 1.00 0.00 C ATOM 851 O THR A 51 -12.919 1.712 -1.400 1.00 0.00 O ATOM 852 CB THR A 51 -13.049 -0.423 -3.465 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.528 -1.592 -4.073 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.291 0.023 -4.247 1.00 0.00 C ATOM 0 H THR A 51 -10.749 0.066 -1.783 1.00 0.00 H new ATOM 0 HA THR A 51 -11.806 1.043 -4.377 1.00 0.00 H new ATOM 0 HB THR A 51 -13.343 -0.640 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.228 -2.276 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.009 -0.796 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.745 0.880 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.002 0.302 -5.260 1.00 0.00 H new ATOM 862 N THR A 52 -12.267 3.103 -3.024 1.00 0.00 N ATOM 863 CA THR A 52 -12.684 4.316 -2.336 1.00 0.00 C ATOM 864 C THR A 52 -14.209 4.424 -2.317 1.00 0.00 C ATOM 865 O THR A 52 -14.912 3.666 -2.990 1.00 0.00 O ATOM 866 CB THR A 52 -12.024 5.543 -2.983 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.302 5.612 -4.372 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.507 5.556 -2.772 1.00 0.00 C ATOM 0 H THR A 52 -11.818 3.277 -3.923 1.00 0.00 H new ATOM 0 HA THR A 52 -12.353 4.274 -1.298 1.00 0.00 H new ATOM 0 HB THR A 52 -12.453 6.415 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.869 6.404 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.081 6.441 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.288 5.575 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.070 4.661 -3.216 1.00 0.00 H new ATOM 876 N GLU A 53 -14.746 5.373 -1.545 1.00 0.00 N ATOM 877 CA GLU A 53 -16.187 5.566 -1.513 1.00 0.00 C ATOM 878 C GLU A 53 -16.695 6.099 -2.860 1.00 0.00 C ATOM 879 O GLU A 53 -17.796 5.752 -3.282 1.00 0.00 O ATOM 880 CB GLU A 53 -16.588 6.476 -0.351 1.00 0.00 C ATOM 881 CG GLU A 53 -18.074 6.258 -0.053 1.00 0.00 C ATOM 882 CD GLU A 53 -18.571 7.196 1.033 1.00 0.00 C ATOM 883 OE1 GLU A 53 -18.308 6.905 2.220 1.00 0.00 O ATOM 884 OE2 GLU A 53 -19.197 8.223 0.683 1.00 0.00 O ATOM 0 H GLU A 53 -14.213 6.005 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.662 4.599 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.988 6.251 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.402 7.519 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.654 6.414 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.236 5.225 0.256 1.00 0.00 H new ATOM 891 N ASP A 54 -15.865 6.856 -3.589 1.00 0.00 N ATOM 892 CA ASP A 54 -16.127 7.318 -4.960 1.00 0.00 C ATOM 893 C ASP A 54 -16.231 6.155 -5.956 1.00 0.00 C ATOM 894 O ASP A 54 -16.530 6.364 -7.136 1.00 0.00 O ATOM 895 CB ASP A 54 -15.043 8.311 -5.425 1.00 0.00 C ATOM 896 CG ASP A 54 -15.401 9.757 -5.082 1.00 0.00 C ATOM 897 OD1 ASP A 54 -15.665 10.012 -3.885 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.423 10.633 -5.977 1.00 0.00 O ATOM 0 H ASP A 54 -14.965 7.174 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.091 7.825 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.092 8.053 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.905 8.218 -6.502 1.00 0.00 H new ATOM 903 N GLY A 55 -15.998 4.918 -5.518 1.00 0.00 N ATOM 904 CA GLY A 55 -16.309 3.724 -6.276 1.00 0.00 C ATOM 905 C GLY A 55 -15.228 3.334 -7.268 1.00 0.00 C ATOM 906 O GLY A 55 -15.359 2.278 -7.896 1.00 0.00 O ATOM 0 H GLY A 55 -15.580 4.723 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.471 2.897 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.245 3.878 -6.813 1.00 0.00 H new ATOM 910 N LYS A 56 -14.165 4.137 -7.397 1.00 0.00 N ATOM 911 CA LYS A 56 -12.979 3.709 -8.119 1.00 0.00 C ATOM 912 C LYS A 56 -12.459 2.457 -7.457 1.00 0.00 C ATOM 913 O LYS A 56 -12.582 2.311 -6.238 1.00 0.00 O ATOM 914 CB LYS A 56 -11.884 4.791 -8.123 1.00 0.00 C ATOM 915 CG LYS A 56 -12.147 5.801 -9.234 1.00 0.00 C ATOM 916 CD LYS A 56 -10.912 6.649 -9.547 1.00 0.00 C ATOM 917 CE LYS A 56 -11.124 7.364 -10.883 1.00 0.00 C ATOM 918 NZ LYS A 56 -9.940 8.150 -11.272 1.00 0.00 N ATOM 0 H LYS A 56 -14.109 5.079 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.246 3.522 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.860 5.298 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.907 4.329 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.462 5.274 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.970 6.454 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.744 7.377 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.024 6.018 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.345 6.630 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.990 8.022 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.119 8.621 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.745 8.867 -10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.119 7.518 -11.365 1.00 0.00 H new ATOM 932 N LYS A 57 -11.782 1.614 -8.216 1.00 0.00 N ATOM 933 CA LYS A 57 -10.844 0.673 -7.662 1.00 0.00 C ATOM 934 C LYS A 57 -9.448 1.199 -7.930 1.00 0.00 C ATOM 935 O LYS A 57 -9.222 2.060 -8.786 1.00 0.00 O ATOM 936 CB LYS A 57 -11.101 -0.723 -8.247 1.00 0.00 C ATOM 937 CG LYS A 57 -12.194 -1.448 -7.439 1.00 0.00 C ATOM 938 CD LYS A 57 -13.389 -1.902 -8.281 1.00 0.00 C ATOM 939 CE LYS A 57 -14.387 -2.616 -7.357 1.00 0.00 C ATOM 940 NZ LYS A 57 -15.448 -3.320 -8.106 1.00 0.00 N ATOM 0 H LYS A 57 -11.871 1.568 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.961 0.568 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.407 -0.637 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.180 -1.306 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.755 -2.318 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.549 -0.785 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.862 -1.046 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.061 -2.572 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.852 -3.331 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.842 -1.887 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.095 -3.785 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.979 -2.636 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.018 -4.036 -8.727 1.00 0.00 H new ATOM 954 N TYR A 58 -8.503 0.672 -7.179 1.00 0.00 N ATOM 955 CA TYR A 58 -7.125 0.568 -7.578 1.00 0.00 C ATOM 956 C TYR A 58 -6.824 -0.921 -7.581 1.00 0.00 C ATOM 957 O TYR A 58 -7.524 -1.714 -6.943 1.00 0.00 O ATOM 958 CB TYR A 58 -6.219 1.388 -6.652 1.00 0.00 C ATOM 959 CG TYR A 58 -6.595 2.860 -6.585 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.193 3.744 -7.607 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.397 3.339 -5.531 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.570 5.100 -7.563 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.791 4.688 -5.496 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.358 5.581 -6.496 1.00 0.00 C ATOM 965 OH TYR A 58 -7.693 6.899 -6.428 1.00 0.00 O ATOM 0 H TYR A 58 -8.683 0.295 -6.249 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.935 0.987 -8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.260 0.965 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.188 1.300 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.593 3.379 -8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.711 2.667 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.256 5.773 -8.347 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.428 5.041 -4.699 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.239 7.057 -5.630 1.00 0.00 H new ATOM 975 N VAL A 59 -5.784 -1.284 -8.311 1.00 0.00 N ATOM 976 CA VAL A 59 -5.254 -2.620 -8.463 1.00 0.00 C ATOM 977 C VAL A 59 -3.749 -2.381 -8.379 1.00 0.00 C ATOM 978 O VAL A 59 -3.233 -1.478 -9.043 1.00 0.00 O ATOM 979 CB VAL A 59 -5.735 -3.209 -9.807 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.056 -4.550 -10.074 1.00 0.00 C ATOM 981 CG2 VAL A 59 -7.251 -3.463 -9.821 1.00 0.00 C ATOM 0 H VAL A 59 -5.252 -0.601 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.576 -3.351 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.480 -2.473 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.406 -4.952 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.976 -4.409 -10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.301 -5.248 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.542 -3.877 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.509 -4.168 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.779 -2.524 -9.655 1.00 0.00 H new ATOM 991 N ILE A 60 -3.073 -3.129 -7.510 1.00 0.00 N ATOM 992 CA ILE A 60 -1.630 -3.021 -7.289 1.00 0.00 C ATOM 993 C ILE A 60 -1.057 -4.423 -7.129 1.00 0.00 C ATOM 994 O ILE A 60 -1.696 -5.296 -6.527 1.00 0.00 O ATOM 995 CB ILE A 60 -1.282 -2.121 -6.071 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.335 -2.201 -4.952 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.117 -0.668 -6.537 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.951 -1.574 -3.614 1.00 0.00 C ATOM 0 H ILE A 60 -3.518 -3.839 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.178 -2.535 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.346 -2.490 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.247 -1.720 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.574 -3.251 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.873 -0.037 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.314 -0.610 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.047 -0.323 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.772 -1.693 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.061 -2.067 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.745 -0.513 -3.755 1.00 0.00 H new ATOM 1010 N GLU A 61 0.143 -4.632 -7.657 1.00 0.00 N ATOM 1011 CA GLU A 61 0.906 -5.870 -7.594 1.00 0.00 C ATOM 1012 C GLU A 61 2.361 -5.622 -7.161 1.00 0.00 C ATOM 1013 O GLU A 61 2.718 -4.514 -6.762 1.00 0.00 O ATOM 1014 CB GLU A 61 0.784 -6.615 -8.924 1.00 0.00 C ATOM 1015 CG GLU A 61 1.513 -5.946 -10.110 1.00 0.00 C ATOM 1016 CD GLU A 61 2.814 -6.626 -10.532 1.00 0.00 C ATOM 1017 OE1 GLU A 61 2.941 -7.852 -10.325 1.00 0.00 O ATOM 1018 OE2 GLU A 61 3.714 -5.922 -11.050 1.00 0.00 O ATOM 0 H GLU A 61 0.636 -3.900 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 61 0.487 -6.513 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.177 -7.624 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.272 -6.713 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.838 -5.923 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.730 -4.911 -9.847 1.00 0.00 H new ATOM 1025 N LYS A 62 3.167 -6.689 -7.148 1.00 0.00 N ATOM 1026 CA LYS A 62 4.402 -6.861 -6.380 1.00 0.00 C ATOM 1027 C LYS A 62 5.629 -6.099 -6.905 1.00 0.00 C ATOM 1028 O LYS A 62 6.705 -6.672 -7.094 1.00 0.00 O ATOM 1029 CB LYS A 62 4.624 -8.369 -6.207 1.00 0.00 C ATOM 1030 CG LYS A 62 4.975 -9.140 -7.491 1.00 0.00 C ATOM 1031 CD LYS A 62 4.314 -10.528 -7.558 1.00 0.00 C ATOM 1032 CE LYS A 62 3.085 -10.478 -8.476 1.00 0.00 C ATOM 1033 NZ LYS A 62 2.921 -11.685 -9.306 1.00 0.00 N ATOM 0 H LYS A 62 2.958 -7.512 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 62 4.273 -6.384 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.425 -8.520 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.721 -8.804 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.665 -8.554 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.057 -9.255 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.028 -11.263 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.019 -10.849 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.192 -10.342 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.163 -9.607 -9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.074 -11.585 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.757 -11.806 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.816 -12.517 -8.691 1.00 0.00 H new ATOM 1047 N GLY A 63 5.476 -4.792 -7.070 1.00 0.00 N ATOM 1048 CA GLY A 63 6.550 -3.876 -7.404 1.00 0.00 C ATOM 1049 C GLY A 63 6.096 -2.417 -7.476 1.00 0.00 C ATOM 1050 O GLY A 63 6.953 -1.549 -7.639 1.00 0.00 O ATOM 0 H GLY A 63 4.572 -4.329 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.341 -3.967 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.980 -4.164 -8.363 1.00 0.00 H new ATOM 1054 N ASP A 64 4.793 -2.130 -7.354 1.00 0.00 N ATOM 1055 CA ASP A 64 4.267 -0.768 -7.297 1.00 0.00 C ATOM 1056 C ASP A 64 4.462 -0.238 -5.873 1.00 0.00 C ATOM 1057 O ASP A 64 4.258 -0.970 -4.896 1.00 0.00 O ATOM 1058 CB ASP A 64 2.769 -0.770 -7.665 1.00 0.00 C ATOM 1059 CG ASP A 64 2.494 -0.873 -9.169 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.616 -1.987 -9.736 1.00 0.00 O ATOM 1061 OD2 ASP A 64 2.029 0.119 -9.776 1.00 0.00 O ATOM 0 H ASP A 64 4.071 -2.847 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 64 4.793 -0.129 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.283 -1.605 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.311 0.143 -7.285 1.00 0.00 H new ATOM 1066 N LEU A 65 4.826 1.039 -5.728 1.00 0.00 N ATOM 1067 CA LEU A 65 4.797 1.753 -4.454 1.00 0.00 C ATOM 1068 C LEU A 65 3.531 2.572 -4.361 1.00 0.00 C ATOM 1069 O LEU A 65 2.968 2.964 -5.384 1.00 0.00 O ATOM 1070 CB LEU A 65 6.041 2.642 -4.308 1.00 0.00 C ATOM 1071 CG LEU A 65 6.678 2.504 -2.913 1.00 0.00 C ATOM 1072 CD1 LEU A 65 8.190 2.557 -3.015 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.230 3.362 -1.780 1.00 0.00 C ATOM 0 H LEU A 65 5.154 1.612 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 65 4.806 1.031 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.772 2.373 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.767 3.683 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 65 6.285 1.531 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.625 2.458 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.541 1.742 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.492 3.510 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.800 3.111 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.392 4.410 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.169 3.193 -1.593 1.00 0.00 H new ATOM 1085 N VAL A 66 3.095 2.827 -3.129 1.00 0.00 N ATOM 1086 CA VAL A 66 1.851 3.502 -2.846 1.00 0.00 C ATOM 1087 C VAL A 66 2.094 4.513 -1.723 1.00 0.00 C ATOM 1088 O VAL A 66 2.733 4.181 -0.716 1.00 0.00 O ATOM 1089 CB VAL A 66 0.773 2.442 -2.509 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.619 3.069 -2.405 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.701 1.310 -3.556 1.00 0.00 C ATOM 0 H VAL A 66 3.613 2.561 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 66 1.481 4.061 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 66 1.075 2.024 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.350 2.296 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.620 3.823 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.880 3.535 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.071 0.597 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.460 1.732 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.664 0.801 -3.608 1.00 0.00 H new ATOM 1101 N THR A 67 1.526 5.713 -1.860 1.00 0.00 N ATOM 1102 CA THR A 67 1.401 6.694 -0.787 1.00 0.00 C ATOM 1103 C THR A 67 -0.056 7.178 -0.777 1.00 0.00 C ATOM 1104 O THR A 67 -0.520 7.773 -1.757 1.00 0.00 O ATOM 1105 CB THR A 67 2.438 7.822 -0.945 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.759 7.309 -0.891 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.333 8.876 0.164 1.00 0.00 C ATOM 0 H THR A 67 1.131 6.035 -2.744 1.00 0.00 H new ATOM 0 HA THR A 67 1.623 6.255 0.186 1.00 0.00 H new ATOM 0 HB THR A 67 2.225 8.277 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.053 7.260 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.086 9.648 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.341 9.327 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.497 8.403 1.132 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.822 6.814 0.255 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.137 7.359 0.587 1.00 0.00 C ATOM 1117 C PHE A 68 -1.967 8.771 1.167 1.00 0.00 C ATOM 1118 O PHE A 68 -0.863 9.135 1.578 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.810 6.420 1.610 1.00 0.00 C ATOM 1120 CG PHE A 68 -3.101 5.030 1.068 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.094 4.847 0.089 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.341 3.925 1.488 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.303 3.583 -0.492 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.522 2.668 0.883 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.504 2.493 -0.106 1.00 0.00 C ATOM 0 H PHE A 68 -0.525 6.094 0.914 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.764 7.427 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.167 6.331 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.744 6.872 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.702 5.685 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.615 4.041 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.077 3.450 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.903 1.834 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.644 1.527 -0.567 1.00 0.00 H new ATOM 1135 N PRO A 69 -3.024 9.598 1.224 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.954 10.838 1.971 1.00 0.00 C ATOM 1137 C PRO A 69 -3.242 10.574 3.454 1.00 0.00 C ATOM 1138 O PRO A 69 -3.620 9.482 3.878 1.00 0.00 O ATOM 1139 CB PRO A 69 -4.033 11.712 1.353 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.139 10.687 1.158 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.377 9.432 0.699 1.00 0.00 C ATOM 0 HA PRO A 69 -1.972 11.308 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.334 12.527 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.714 12.162 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.690 10.508 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.864 11.013 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.842 8.525 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.371 9.349 -0.388 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.141 11.642 4.229 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.396 11.663 5.663 1.00 0.00 C ATOM 1151 C LYS A 70 -4.892 11.874 5.865 1.00 0.00 C ATOM 1152 O LYS A 70 -5.337 13.005 6.064 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.496 12.737 6.297 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.731 12.977 7.795 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.540 13.749 8.365 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.779 14.073 9.838 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.483 15.356 10.021 1.00 0.00 N ATOM 0 H LYS A 70 -2.869 12.554 3.863 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.144 10.728 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.455 12.451 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.647 13.677 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.652 13.539 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.848 12.026 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.630 13.159 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.391 14.670 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.362 13.273 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.823 14.108 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.623 15.534 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.916 16.125 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.407 15.316 9.546 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.668 10.799 5.783 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.112 10.823 5.939 1.00 0.00 C ATOM 1173 C GLY A 71 -7.759 10.188 4.716 1.00 0.00 C ATOM 1174 O GLY A 71 -8.086 10.898 3.756 1.00 0.00 O ATOM 0 H GLY A 71 -5.298 9.866 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.401 10.282 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.460 11.849 6.058 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.914 8.861 4.722 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.627 8.129 3.679 1.00 0.00 C ATOM 1180 C LEU A 72 -9.296 6.881 4.252 1.00 0.00 C ATOM 1181 O LEU A 72 -8.619 5.873 4.454 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.656 7.746 2.543 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.332 6.955 1.404 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.370 7.808 0.675 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.275 6.491 0.400 1.00 0.00 C ATOM 0 H LEU A 72 -7.543 8.262 5.459 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.406 8.775 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.212 8.653 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.841 7.151 2.956 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.836 6.096 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.828 7.222 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.139 8.126 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.884 8.685 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.756 5.933 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.764 7.359 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.551 5.851 0.904 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.614 6.912 4.457 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.439 5.700 4.508 1.00 0.00 C ATOM 1199 C ARG A 73 -11.576 5.144 3.089 1.00 0.00 C ATOM 1200 O ARG A 73 -11.985 5.886 2.197 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.820 6.041 5.101 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.728 4.818 5.321 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.891 5.177 6.265 1.00 0.00 C ATOM 1204 NE ARG A 73 -16.059 4.294 6.101 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.204 3.053 6.577 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -15.263 2.465 7.306 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.319 2.391 6.301 1.00 0.00 N ATOM 0 H ARG A 73 -11.140 7.775 4.592 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.973 4.947 5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.679 6.551 6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.326 6.741 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.121 4.472 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.148 3.998 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.544 5.123 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.194 6.208 6.084 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.842 4.670 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.398 2.961 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.405 1.517 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.046 2.830 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.450 1.443 6.654 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.262 3.869 2.862 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.610 3.123 1.650 1.00 0.00 C ATOM 1223 C CYS A 74 -11.676 1.630 2.008 1.00 0.00 C ATOM 1224 O CYS A 74 -11.280 1.231 3.101 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.590 3.374 0.526 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.884 3.015 1.019 1.00 0.00 S ATOM 0 H CYS A 74 -10.742 3.308 3.537 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.577 3.461 1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.850 2.759 -0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.658 4.414 0.207 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.085 3.248 0.020 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.160 0.781 1.103 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.123 -0.671 1.259 1.00 0.00 C ATOM 1234 C ARG A 75 -10.750 -1.219 0.907 1.00 0.00 C ATOM 1235 O ARG A 75 -9.978 -0.560 0.204 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.229 -1.333 0.426 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.457 -1.664 1.270 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.016 -0.445 1.999 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.418 0.668 1.123 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.000 1.788 1.568 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -16.317 1.950 2.849 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.250 2.776 0.723 1.00 0.00 N ATOM 0 H ARG A 75 -12.593 1.086 0.231 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.310 -0.911 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.517 -0.668 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.844 -2.246 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.231 -2.085 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.196 -2.430 2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.879 -0.756 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.265 -0.083 2.701 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.243 0.581 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.117 1.210 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.760 2.815 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.999 2.681 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.693 3.632 1.056 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.458 -2.415 1.415 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.213 -3.129 1.216 1.00 0.00 C ATOM 1258 C TRP A 76 -9.533 -4.609 1.004 1.00 0.00 C ATOM 1259 O TRP A 76 -10.067 -5.275 1.894 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.267 -2.908 2.405 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.070 -2.081 2.067 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.076 -0.758 1.785 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.693 -2.527 1.893 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.810 -0.371 1.394 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.925 -1.429 1.411 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -5.021 -3.756 2.066 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.574 -1.561 1.063 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.653 -3.887 1.763 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.934 -2.799 1.237 1.00 0.00 C ATOM 0 H TRP A 76 -11.116 -2.929 2.001 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.697 -2.751 0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.817 -2.424 3.212 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.936 -3.876 2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.935 -0.107 1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.560 0.581 1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.566 -4.611 2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.029 -0.718 0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.153 -4.828 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.894 -2.915 0.968 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.215 -5.123 -0.182 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.553 -6.459 -0.644 1.00 0.00 C ATOM 1282 C LYS A 77 -8.242 -7.155 -0.985 1.00 0.00 C ATOM 1283 O LYS A 77 -7.634 -6.847 -2.008 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.495 -6.312 -1.848 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.008 -7.644 -2.390 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.273 -8.161 -1.710 1.00 0.00 C ATOM 1287 CE LYS A 77 -13.342 -8.490 -2.744 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.589 -7.736 -2.498 1.00 0.00 N ATOM 0 H LYS A 77 -8.690 -4.591 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.072 -7.062 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.346 -5.695 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.973 -5.782 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.203 -7.536 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.222 -8.392 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.040 -9.050 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.651 -7.411 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.967 -8.259 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.553 -9.559 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.357 -8.138 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.840 -7.800 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.448 -6.739 -2.757 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.767 -8.034 -0.113 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.526 -8.773 -0.266 1.00 0.00 C ATOM 1304 C VAL A 78 -6.879 -9.914 -1.204 1.00 0.00 C ATOM 1305 O VAL A 78 -7.616 -10.829 -0.840 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.982 -9.267 1.093 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.553 -9.795 0.947 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.969 -8.143 2.147 1.00 0.00 C ATOM 0 H VAL A 78 -8.256 -8.259 0.753 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.721 -8.157 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.649 -10.063 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.191 -10.137 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.542 -10.626 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.907 -8.998 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.580 -8.531 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.335 -7.327 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.984 -7.774 2.298 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.440 -9.800 -2.453 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.673 -10.838 -3.440 1.00 0.00 C ATOM 1320 C LEU A 79 -5.613 -11.929 -3.250 1.00 0.00 C ATOM 1321 O LEU A 79 -5.901 -13.084 -3.539 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.680 -10.259 -4.870 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.549 -8.993 -5.046 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.695 -8.556 -6.507 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -8.981 -9.235 -4.566 1.00 0.00 C ATOM 0 H LEU A 79 -5.920 -8.995 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.659 -11.279 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.655 -10.024 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.036 -11.027 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.031 -8.229 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.317 -7.662 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.711 -8.338 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.162 -9.356 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.569 -8.327 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.426 -10.045 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.970 -9.505 -3.510 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.423 -11.592 -2.727 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.370 -12.531 -2.319 1.00 0.00 C ATOM 1339 C GLU A 80 -2.545 -11.911 -1.180 1.00 0.00 C ATOM 1340 O GLU A 80 -2.461 -10.681 -1.136 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.425 -12.825 -3.497 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.077 -13.567 -4.661 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.024 -14.294 -5.481 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.391 -13.637 -6.342 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.791 -15.498 -5.235 1.00 0.00 O ATOM 0 H GLU A 80 -4.159 -10.619 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.842 -13.457 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.019 -11.883 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.583 -13.414 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.809 -14.281 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.617 -12.862 -5.293 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.904 -12.701 -0.292 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.385 -12.211 0.985 1.00 0.00 C ATOM 1354 C PRO A 81 -0.262 -11.193 0.771 1.00 0.00 C ATOM 1355 O PRO A 81 0.836 -11.541 0.340 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.932 -13.452 1.763 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.596 -14.456 0.665 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.618 -14.130 -0.422 1.00 0.00 C ATOM 0 HA PRO A 81 -2.143 -11.672 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.067 -13.239 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.719 -13.823 2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.426 -14.336 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.692 -15.484 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.222 -14.360 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.524 -14.722 -0.296 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.556 -9.914 1.009 1.00 0.00 N ATOM 1367 CA VAL A 82 0.303 -8.817 0.588 1.00 0.00 C ATOM 1368 C VAL A 82 1.270 -8.430 1.708 1.00 0.00 C ATOM 1369 O VAL A 82 0.878 -7.901 2.750 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.557 -7.683 0.006 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.332 -6.923 1.077 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.297 -6.704 -0.799 1.00 0.00 C ATOM 0 H VAL A 82 -1.398 -9.614 1.500 1.00 0.00 H new ATOM 0 HA VAL A 82 0.960 -9.118 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.282 -8.160 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.921 -6.134 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.996 -7.610 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.633 -6.481 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.337 -5.912 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.058 -6.268 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.779 -7.233 -1.621 1.00 0.00 H new ATOM 1382 N ARG A 83 2.556 -8.702 1.501 1.00 0.00 N ATOM 1383 CA ARG A 83 3.591 -8.574 2.530 1.00 0.00 C ATOM 1384 C ARG A 83 4.284 -7.212 2.459 1.00 0.00 C ATOM 1385 O ARG A 83 5.512 -7.126 2.471 1.00 0.00 O ATOM 1386 CB ARG A 83 4.567 -9.756 2.403 1.00 0.00 C ATOM 1387 CG ARG A 83 5.268 -10.048 3.732 1.00 0.00 C ATOM 1388 CD ARG A 83 6.254 -11.196 3.557 1.00 0.00 C ATOM 1389 NE ARG A 83 6.805 -11.617 4.850 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.688 -12.603 5.011 1.00 0.00 C ATOM 1391 NH1 ARG A 83 8.372 -13.093 3.982 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.865 -13.098 6.224 1.00 0.00 N ATOM 0 H ARG A 83 2.916 -9.022 0.602 1.00 0.00 H new ATOM 0 HA ARG A 83 3.137 -8.615 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.026 -10.643 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.312 -9.534 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.791 -9.158 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.531 -10.303 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.755 -12.039 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.064 -10.887 2.896 1.00 0.00 H new ATOM 0 HE ARG A 83 6.491 -11.121 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.226 -12.714 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.043 -13.848 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.332 -12.725 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.535 -13.853 6.374 1.00 0.00 H new ATOM 1406 N LYS A 84 3.521 -6.131 2.275 1.00 0.00 N ATOM 1407 CA LYS A 84 4.122 -4.811 2.109 1.00 0.00 C ATOM 1408 C LYS A 84 4.961 -4.428 3.333 1.00 0.00 C ATOM 1409 O LYS A 84 4.647 -4.769 4.475 1.00 0.00 O ATOM 1410 CB LYS A 84 3.116 -3.734 1.630 1.00 0.00 C ATOM 1411 CG LYS A 84 1.790 -3.388 2.342 1.00 0.00 C ATOM 1412 CD LYS A 84 1.675 -3.736 3.821 1.00 0.00 C ATOM 1413 CE LYS A 84 0.678 -2.889 4.619 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.733 -3.030 4.215 1.00 0.00 N ATOM 0 H LYS A 84 2.502 -6.145 2.238 1.00 0.00 H new ATOM 0 HA LYS A 84 4.828 -4.867 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.678 -2.802 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.847 -4.007 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.620 -2.317 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.982 -3.894 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.388 -4.784 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.659 -3.635 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.765 -3.152 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.962 -1.841 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.315 -2.346 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.822 -2.848 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.059 -3.995 4.424 1.00 0.00 H new ATOM 1428 N HIS A 85 6.030 -3.683 3.088 1.00 0.00 N ATOM 1429 CA HIS A 85 6.637 -2.833 4.101 1.00 0.00 C ATOM 1430 C HIS A 85 5.766 -1.581 4.209 1.00 0.00 C ATOM 1431 O HIS A 85 5.189 -1.181 3.195 1.00 0.00 O ATOM 1432 CB HIS A 85 8.062 -2.487 3.647 1.00 0.00 C ATOM 1433 CG HIS A 85 9.086 -3.463 4.167 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.851 -4.337 3.425 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.421 -3.636 5.482 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.587 -5.054 4.288 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.371 -4.653 5.547 1.00 0.00 N ATOM 0 H HIS A 85 6.500 -3.651 2.183 1.00 0.00 H new ATOM 0 HA HIS A 85 6.699 -3.319 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.099 -2.472 2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.315 -1.483 3.988 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.021 -3.083 6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.263 -5.848 4.005 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.815 -5.020 6.389 1.00 0.00 H new ATOM 1445 N TYR A 86 5.686 -0.938 5.378 1.00 0.00 N ATOM 1446 CA TYR A 86 5.008 0.353 5.549 1.00 0.00 C ATOM 1447 C TYR A 86 5.807 1.259 6.489 1.00 0.00 C ATOM 1448 O TYR A 86 6.567 0.754 7.309 1.00 0.00 O ATOM 1449 CB TYR A 86 3.566 0.166 6.056 1.00 0.00 C ATOM 1450 CG TYR A 86 3.434 -0.299 7.497 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.738 -1.629 7.841 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.028 0.605 8.501 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.658 -2.048 9.177 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.939 0.191 9.841 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.264 -1.142 10.183 1.00 0.00 C ATOM 1456 OH TYR A 86 3.196 -1.580 11.467 1.00 0.00 O ATOM 0 H TYR A 86 6.093 -1.301 6.240 1.00 0.00 H new ATOM 0 HA TYR A 86 4.952 0.835 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.036 1.112 5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.064 -0.556 5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.034 -2.329 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.784 1.623 8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.899 -3.068 9.436 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.624 0.887 10.605 1.00 0.00 H new ATOM 0 HH TYR A 86 2.912 -0.845 12.049 1.00 0.00 H new ATOM 1466 N ASN A 87 5.631 2.581 6.409 1.00 0.00 N ATOM 1467 CA ASN A 87 6.270 3.550 7.300 1.00 0.00 C ATOM 1468 C ASN A 87 5.303 4.687 7.586 1.00 0.00 C ATOM 1469 O ASN A 87 4.713 5.207 6.639 1.00 0.00 O ATOM 1470 CB ASN A 87 7.533 4.141 6.658 1.00 0.00 C ATOM 1471 CG ASN A 87 8.398 4.870 7.677 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.223 4.731 8.884 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.360 5.658 7.235 1.00 0.00 N ATOM 0 H ASN A 87 5.029 3.015 5.709 1.00 0.00 H new ATOM 0 HA ASN A 87 6.544 3.034 8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.112 3.343 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.248 4.831 5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.959 6.152 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.505 5.773 6.232 1.00 0.00 H new ATOM 1480 N LEU A 88 5.136 5.066 8.855 1.00 0.00 N ATOM 1481 CA LEU A 88 4.306 6.196 9.276 1.00 0.00 C ATOM 1482 C LEU A 88 5.191 7.441 9.376 1.00 0.00 C ATOM 1483 O LEU A 88 6.262 7.368 9.990 1.00 0.00 O ATOM 1484 CB LEU A 88 3.655 5.903 10.641 1.00 0.00 C ATOM 1485 CG LEU A 88 2.626 4.753 10.650 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.153 4.508 12.090 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.398 5.066 9.789 1.00 0.00 C ATOM 0 H LEU A 88 5.584 4.585 9.635 1.00 0.00 H new ATOM 0 HA LEU A 88 3.512 6.359 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.442 5.669 11.357 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.164 6.810 10.993 1.00 0.00 H new ATOM 0 HG LEU A 88 3.119 3.873 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.426 3.696 12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.006 4.239 12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.691 5.415 12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.703 4.227 9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.906 5.962 10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.709 5.232 8.758 1.00 0.00 H new ATOM 1499 N PHE A 89 4.786 8.558 8.765 1.00 0.00 N ATOM 1500 CA PHE A 89 5.555 9.801 8.726 1.00 0.00 C ATOM 1501 C PHE A 89 4.625 10.992 8.464 1.00 0.00 C ATOM 1502 O PHE A 89 3.521 11.067 9.039 1.00 0.00 O ATOM 1503 CB PHE A 89 6.697 9.690 7.686 1.00 0.00 C ATOM 1504 CG PHE A 89 6.248 9.709 6.235 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.515 8.631 5.712 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.478 10.846 5.433 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.960 8.721 4.429 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.941 10.923 4.137 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.166 9.863 3.640 1.00 0.00 C ATOM 0 H PHE A 89 3.895 8.623 8.274 1.00 0.00 H new ATOM 0 HA PHE A 89 6.024 9.973 9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.395 10.512 7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.246 8.766 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.380 7.734 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.071 11.663 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.368 7.904 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.124 11.794 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.730 9.926 2.654 1.00 0.00 H new