USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 864 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 Single : A 7 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.526 USER MOD Single : A 19 ASN : amide:sc= -1.97 K(o=-2,f=-0.26) USER MOD Single : A 21 THR OG1 : rot -85:sc= 0.154 USER MOD Single : A 22 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.5) USER MOD Single : A 23 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -7.2! C(o=-7.2!,f=-17!) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0337 (180deg=-0.43) USER MOD Single : A 30 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.003) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 33 MET CE :methyl 135:sc= -0.0524 (180deg=-0.685) USER MOD Single : A 36 SER OG : rot 180:sc= -0.531 USER MOD Single : A 38 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.11) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 43 MET CE :methyl -149:sc= -0.198 (180deg=-1.89!) USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00857 USER MOD Single : A 50 SER OG : rot -44:sc= 0.655 USER MOD Single : A 53 ASN : amide:sc= 0.756 K(o=0.76,f=-0.13) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0298 (180deg=-0.402) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.179 X(o=-0.18,f=0.0055) USER MOD Single : A 66 MET CE :methyl -169:sc= -0.899 (180deg=-1.23) USER MOD Single : A 68 SER OG : rot 77:sc= 0.143 USER MOD Single : A 73 HIS : no HD1:sc= -0.477 K(o=-0.48,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 79 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -38:sc= 0.289 USER MOD Single : A 84 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.2 X(o=-4.2,f=-4.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 153:sc= -0.0455 (180deg=-1.18) USER MOD Single : A 113 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.795 4.787 2.597 1.00 0.00 N ATOM 58 CA PRO A 5 18.401 5.586 1.401 1.00 0.00 C ATOM 59 C PRO A 5 17.027 5.149 0.848 1.00 0.00 C ATOM 60 O PRO A 5 16.536 4.088 1.177 1.00 0.00 O ATOM 61 CB PRO A 5 19.538 5.279 0.408 1.00 0.00 C ATOM 62 CG PRO A 5 20.293 4.046 0.928 1.00 0.00 C ATOM 63 CD PRO A 5 19.989 3.907 2.429 1.00 0.00 C ATOM 0 HA PRO A 5 18.283 6.649 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.136 5.089 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.211 6.132 0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.979 3.151 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.365 4.157 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.775 2.875 2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.826 4.236 3.045 1.00 0.00 H new ATOM 71 N PRO A 6 16.405 5.965 0.025 1.00 0.00 N ATOM 72 CA PRO A 6 15.066 5.623 -0.543 1.00 0.00 C ATOM 73 C PRO A 6 15.063 4.295 -1.318 1.00 0.00 C ATOM 74 O PRO A 6 14.174 3.481 -1.164 1.00 0.00 O ATOM 75 CB PRO A 6 14.785 6.819 -1.479 1.00 0.00 C ATOM 76 CG PRO A 6 16.048 7.701 -1.536 1.00 0.00 C ATOM 77 CD PRO A 6 16.986 7.271 -0.399 1.00 0.00 C ATOM 0 HA PRO A 6 14.312 5.475 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.524 6.466 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.936 7.396 -1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.545 7.592 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.782 8.753 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.016 7.165 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.994 7.995 0.416 1.00 0.00 H new ATOM 85 N SER A 7 16.036 4.078 -2.153 1.00 0.00 N ATOM 86 CA SER A 7 16.070 2.812 -2.940 1.00 0.00 C ATOM 87 C SER A 7 16.133 1.615 -1.989 1.00 0.00 C ATOM 88 O SER A 7 15.513 0.596 -2.219 1.00 0.00 O ATOM 89 CB SER A 7 17.295 2.808 -3.857 1.00 0.00 C ATOM 90 OG SER A 7 18.473 2.679 -3.071 1.00 0.00 O ATOM 0 H SER A 7 16.810 4.720 -2.327 1.00 0.00 H new ATOM 0 HA SER A 7 15.167 2.741 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.228 1.985 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.331 3.730 -4.438 1.00 0.00 H new ATOM 0 HG SER A 7 19.258 2.675 -3.657 1.00 0.00 H new ATOM 96 N THR A 8 16.877 1.726 -0.924 1.00 0.00 N ATOM 97 CA THR A 8 16.977 0.588 0.037 1.00 0.00 C ATOM 98 C THR A 8 15.652 0.405 0.785 1.00 0.00 C ATOM 99 O THR A 8 15.213 -0.703 1.021 1.00 0.00 O ATOM 100 CB THR A 8 18.099 0.865 1.041 1.00 0.00 C ATOM 101 OG1 THR A 8 19.341 0.914 0.353 1.00 0.00 O ATOM 102 CG2 THR A 8 18.138 -0.244 2.094 1.00 0.00 C ATOM 0 H THR A 8 17.420 2.553 -0.676 1.00 0.00 H new ATOM 0 HA THR A 8 17.197 -0.325 -0.517 1.00 0.00 H new ATOM 0 HB THR A 8 17.916 1.819 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.074 0.933 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.938 -0.042 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.184 -0.279 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.319 -1.202 1.607 1.00 0.00 H new ATOM 110 N ALA A 9 15.011 1.477 1.164 1.00 0.00 N ATOM 111 CA ALA A 9 13.719 1.349 1.899 1.00 0.00 C ATOM 112 C ALA A 9 12.699 0.625 1.020 1.00 0.00 C ATOM 113 O ALA A 9 11.945 -0.208 1.483 1.00 0.00 O ATOM 114 CB ALA A 9 13.190 2.742 2.248 1.00 0.00 C ATOM 0 H ALA A 9 15.324 2.433 0.997 1.00 0.00 H new ATOM 0 HA ALA A 9 13.879 0.779 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.246 2.649 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.915 3.260 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.032 3.311 1.332 1.00 0.00 H new ATOM 120 N LEU A 10 12.664 0.939 -0.245 1.00 0.00 N ATOM 121 CA LEU A 10 11.690 0.271 -1.152 1.00 0.00 C ATOM 122 C LEU A 10 11.938 -1.239 -1.158 1.00 0.00 C ATOM 123 O LEU A 10 11.027 -2.024 -0.988 1.00 0.00 O ATOM 124 CB LEU A 10 11.848 0.829 -2.569 1.00 0.00 C ATOM 125 CG LEU A 10 10.852 0.153 -3.523 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.407 0.405 -3.062 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.052 0.723 -4.927 1.00 0.00 C ATOM 0 H LEU A 10 13.268 1.630 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 10 10.677 0.463 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.682 1.906 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.867 0.665 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 10 11.029 -0.923 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.716 -0.081 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.268 -0.002 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.211 1.477 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.350 0.251 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.877 1.799 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.072 0.526 -5.258 1.00 0.00 H new ATOM 139 N ARG A 11 13.160 -1.658 -1.355 1.00 0.00 N ATOM 140 CA ARG A 11 13.440 -3.121 -1.371 1.00 0.00 C ATOM 141 C ARG A 11 13.044 -3.716 -0.026 1.00 0.00 C ATOM 142 O ARG A 11 12.442 -4.770 0.046 1.00 0.00 O ATOM 143 CB ARG A 11 14.929 -3.356 -1.630 1.00 0.00 C ATOM 144 CG ARG A 11 15.248 -2.984 -3.081 1.00 0.00 C ATOM 145 CD ARG A 11 16.748 -3.149 -3.350 1.00 0.00 C ATOM 146 NE ARG A 11 16.979 -3.257 -4.831 1.00 0.00 N ATOM 147 CZ ARG A 11 16.482 -4.241 -5.531 1.00 0.00 C ATOM 148 NH1 ARG A 11 15.877 -5.234 -4.938 1.00 0.00 N ATOM 149 NH2 ARG A 11 16.622 -4.253 -6.829 1.00 0.00 N ATOM 0 H ARG A 11 13.969 -1.055 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 11 12.865 -3.600 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.529 -2.755 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.183 -4.400 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.677 -3.617 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.947 -1.955 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.297 -2.299 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.124 -4.040 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 11 17.538 -2.544 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.790 -5.245 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.491 -5.999 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.119 -3.494 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.234 -5.021 -7.377 1.00 0.00 H new ATOM 163 N GLU A 12 13.344 -3.037 1.041 1.00 0.00 N ATOM 164 CA GLU A 12 12.949 -3.553 2.374 1.00 0.00 C ATOM 165 C GLU A 12 11.425 -3.640 2.422 1.00 0.00 C ATOM 166 O GLU A 12 10.860 -4.575 2.953 1.00 0.00 O ATOM 167 CB GLU A 12 13.465 -2.610 3.464 1.00 0.00 C ATOM 168 CG GLU A 12 14.989 -2.720 3.541 1.00 0.00 C ATOM 169 CD GLU A 12 15.522 -1.777 4.621 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.720 -1.087 5.228 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.726 -1.758 4.820 1.00 0.00 O ATOM 0 H GLU A 12 13.845 -2.148 1.047 1.00 0.00 H new ATOM 0 HA GLU A 12 13.378 -4.540 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.173 -1.584 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.020 -2.867 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.278 -3.747 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.430 -2.469 2.576 1.00 0.00 H new ATOM 178 N LEU A 13 10.754 -2.664 1.868 1.00 0.00 N ATOM 179 CA LEU A 13 9.265 -2.683 1.877 1.00 0.00 C ATOM 180 C LEU A 13 8.757 -3.783 0.933 1.00 0.00 C ATOM 181 O LEU A 13 7.880 -4.548 1.279 1.00 0.00 O ATOM 182 CB LEU A 13 8.745 -1.318 1.405 1.00 0.00 C ATOM 183 CG LEU A 13 7.208 -1.299 1.400 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.672 -1.529 2.824 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.728 0.063 0.883 1.00 0.00 C ATOM 0 H LEU A 13 11.175 -1.855 1.410 1.00 0.00 H new ATOM 0 HA LEU A 13 8.906 -2.885 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.122 -0.533 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.120 -1.106 0.404 1.00 0.00 H new ATOM 0 HG LEU A 13 6.837 -2.094 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.582 -1.514 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.016 -2.496 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.037 -0.740 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.638 0.086 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.103 0.852 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.101 0.220 -0.129 1.00 0.00 H new ATOM 197 N ILE A 14 9.295 -3.866 -0.258 1.00 0.00 N ATOM 198 CA ILE A 14 8.826 -4.916 -1.210 1.00 0.00 C ATOM 199 C ILE A 14 9.053 -6.307 -0.607 1.00 0.00 C ATOM 200 O ILE A 14 8.173 -7.144 -0.609 1.00 0.00 O ATOM 201 CB ILE A 14 9.577 -4.799 -2.544 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.188 -3.488 -3.238 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.198 -5.977 -3.447 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.103 -3.248 -4.441 1.00 0.00 C ATOM 0 H ILE A 14 10.033 -3.256 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 14 7.761 -4.773 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 14 10.651 -4.810 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.149 -3.532 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.268 -2.657 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.731 -5.895 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.469 -6.912 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.124 -5.963 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.823 -2.315 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.138 -3.184 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.001 -4.073 -5.146 1.00 0.00 H new ATOM 216 N GLU A 15 10.230 -6.567 -0.103 1.00 0.00 N ATOM 217 CA GLU A 15 10.509 -7.910 0.484 1.00 0.00 C ATOM 218 C GLU A 15 9.550 -8.183 1.645 1.00 0.00 C ATOM 219 O GLU A 15 9.069 -9.286 1.816 1.00 0.00 O ATOM 220 CB GLU A 15 11.950 -7.959 0.997 1.00 0.00 C ATOM 221 CG GLU A 15 12.915 -7.937 -0.191 1.00 0.00 C ATOM 222 CD GLU A 15 14.357 -7.986 0.319 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.540 -7.962 1.525 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.253 -8.043 -0.506 1.00 0.00 O ATOM 0 H GLU A 15 11.009 -5.909 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 15 10.368 -8.668 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.143 -7.110 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.106 -8.860 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.721 -8.786 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.758 -7.035 -0.783 1.00 0.00 H new ATOM 231 N GLU A 16 9.274 -7.195 2.453 1.00 0.00 N ATOM 232 CA GLU A 16 8.356 -7.415 3.607 1.00 0.00 C ATOM 233 C GLU A 16 6.931 -7.649 3.098 1.00 0.00 C ATOM 234 O GLU A 16 6.256 -8.566 3.524 1.00 0.00 O ATOM 235 CB GLU A 16 8.382 -6.183 4.516 1.00 0.00 C ATOM 236 CG GLU A 16 7.538 -6.444 5.765 1.00 0.00 C ATOM 237 CD GLU A 16 7.715 -5.287 6.752 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.539 -4.428 6.485 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.025 -5.281 7.758 1.00 0.00 O ATOM 0 H GLU A 16 9.643 -6.248 2.364 1.00 0.00 H new ATOM 0 HA GLU A 16 8.682 -8.290 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.408 -5.951 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.997 -5.316 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.488 -6.546 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.839 -7.382 6.231 1.00 0.00 H new ATOM 246 N LEU A 17 6.466 -6.837 2.188 1.00 0.00 N ATOM 247 CA LEU A 17 5.086 -7.033 1.661 1.00 0.00 C ATOM 248 C LEU A 17 4.995 -8.401 0.980 1.00 0.00 C ATOM 249 O LEU A 17 4.023 -9.110 1.114 1.00 0.00 O ATOM 250 CB LEU A 17 4.759 -5.939 0.639 1.00 0.00 C ATOM 251 CG LEU A 17 4.662 -4.572 1.333 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.543 -3.479 0.266 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.432 -4.523 2.262 1.00 0.00 C ATOM 0 H LEU A 17 6.979 -6.051 1.789 1.00 0.00 H new ATOM 0 HA LEU A 17 4.375 -6.981 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.530 -5.909 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.818 -6.168 0.139 1.00 0.00 H new ATOM 0 HG LEU A 17 5.557 -4.413 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.474 -2.505 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.422 -3.502 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.649 -3.651 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.380 -3.547 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.527 -4.687 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.519 -5.300 3.022 1.00 0.00 H new ATOM 265 N VAL A 18 6.001 -8.772 0.246 1.00 0.00 N ATOM 266 CA VAL A 18 5.973 -10.088 -0.451 1.00 0.00 C ATOM 267 C VAL A 18 5.997 -11.240 0.565 1.00 0.00 C ATOM 268 O VAL A 18 5.309 -12.227 0.410 1.00 0.00 O ATOM 269 CB VAL A 18 7.192 -10.175 -1.376 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.344 -11.597 -1.919 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.995 -9.209 -2.545 1.00 0.00 C ATOM 0 H VAL A 18 6.846 -8.220 0.096 1.00 0.00 H new ATOM 0 HA VAL A 18 5.055 -10.173 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 18 8.089 -9.913 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.213 -11.645 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.476 -12.291 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.451 -11.869 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.857 -9.262 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.095 -9.482 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.893 -8.193 -2.164 1.00 0.00 H new ATOM 281 N ASN A 19 6.793 -11.135 1.590 1.00 0.00 N ATOM 282 CA ASN A 19 6.872 -12.240 2.592 1.00 0.00 C ATOM 283 C ASN A 19 5.504 -12.496 3.244 1.00 0.00 C ATOM 284 O ASN A 19 5.133 -13.626 3.490 1.00 0.00 O ATOM 285 CB ASN A 19 7.887 -11.860 3.673 1.00 0.00 C ATOM 286 CG ASN A 19 7.982 -12.982 4.709 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.430 -12.764 5.818 1.00 0.00 O ATOM 288 ND2 ASN A 19 7.578 -14.182 4.395 1.00 0.00 N ATOM 0 H ASN A 19 7.394 -10.333 1.780 1.00 0.00 H new ATOM 0 HA ASN A 19 7.183 -13.152 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.864 -11.684 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.587 -10.930 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.638 -14.936 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.202 -14.366 3.465 1.00 0.00 H new ATOM 295 N ILE A 20 4.763 -11.466 3.547 1.00 0.00 N ATOM 296 CA ILE A 20 3.437 -11.671 4.208 1.00 0.00 C ATOM 297 C ILE A 20 2.376 -12.153 3.204 1.00 0.00 C ATOM 298 O ILE A 20 1.362 -12.697 3.593 1.00 0.00 O ATOM 299 CB ILE A 20 2.978 -10.356 4.846 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.948 -9.254 3.786 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.949 -9.958 5.958 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.375 -7.970 4.391 1.00 0.00 C ATOM 0 H ILE A 20 5.014 -10.494 3.368 1.00 0.00 H new ATOM 0 HA ILE A 20 3.553 -12.440 4.972 1.00 0.00 H new ATOM 0 HB ILE A 20 1.980 -10.490 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.954 -9.072 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.341 -9.569 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.620 -9.022 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.973 -10.740 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.947 -9.828 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.355 -7.188 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.362 -8.156 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.999 -7.651 5.225 1.00 0.00 H new ATOM 314 N THR A 21 2.578 -11.942 1.923 1.00 0.00 N ATOM 315 CA THR A 21 1.547 -12.375 0.917 1.00 0.00 C ATOM 316 C THR A 21 1.934 -13.703 0.251 1.00 0.00 C ATOM 317 O THR A 21 1.166 -14.258 -0.507 1.00 0.00 O ATOM 318 CB THR A 21 1.413 -11.301 -0.171 1.00 0.00 C ATOM 319 OG1 THR A 21 2.678 -11.105 -0.790 1.00 0.00 O ATOM 320 CG2 THR A 21 0.926 -9.974 0.436 1.00 0.00 C ATOM 0 H THR A 21 3.405 -11.492 1.531 1.00 0.00 H new ATOM 0 HA THR A 21 0.602 -12.511 1.444 1.00 0.00 H new ATOM 0 HB THR A 21 0.683 -11.633 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.201 -10.460 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.837 -9.225 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.046 -10.124 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.641 -9.632 1.184 1.00 0.00 H new ATOM 328 N GLN A 22 3.108 -14.219 0.502 1.00 0.00 N ATOM 329 CA GLN A 22 3.497 -15.515 -0.143 1.00 0.00 C ATOM 330 C GLN A 22 3.017 -16.708 0.696 1.00 0.00 C ATOM 331 O GLN A 22 2.521 -17.685 0.170 1.00 0.00 O ATOM 332 CB GLN A 22 5.022 -15.579 -0.303 1.00 0.00 C ATOM 333 CG GLN A 22 5.449 -14.710 -1.489 1.00 0.00 C ATOM 334 CD GLN A 22 6.974 -14.670 -1.575 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.656 -14.823 -0.582 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.542 -14.469 -2.733 1.00 0.00 N ATOM 0 H GLN A 22 3.810 -13.808 1.118 1.00 0.00 H new ATOM 0 HA GLN A 22 3.023 -15.567 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.509 -15.233 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.339 -16.610 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.033 -15.110 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.055 -13.700 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.969 -14.341 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.559 -14.440 -2.804 1.00 0.00 H new ATOM 345 N ASN A 23 3.189 -16.649 1.991 1.00 0.00 N ATOM 346 CA ASN A 23 2.778 -17.794 2.871 1.00 0.00 C ATOM 347 C ASN A 23 1.440 -17.507 3.563 1.00 0.00 C ATOM 348 O ASN A 23 1.155 -18.050 4.612 1.00 0.00 O ATOM 349 CB ASN A 23 3.854 -18.004 3.937 1.00 0.00 C ATOM 350 CG ASN A 23 5.119 -18.558 3.280 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.047 -19.253 2.286 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.284 -18.271 3.793 1.00 0.00 N ATOM 0 H ASN A 23 3.598 -15.855 2.483 1.00 0.00 H new ATOM 0 HA ASN A 23 2.663 -18.685 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.074 -17.061 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.495 -18.694 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.135 -18.630 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.344 -17.687 4.627 1.00 0.00 H new ATOM 359 N GLN A 24 0.619 -16.660 3.006 1.00 0.00 N ATOM 360 CA GLN A 24 -0.684 -16.354 3.668 1.00 0.00 C ATOM 361 C GLN A 24 -1.700 -17.466 3.359 1.00 0.00 C ATOM 362 O GLN A 24 -1.896 -17.853 2.227 1.00 0.00 O ATOM 363 CB GLN A 24 -1.206 -14.987 3.176 1.00 0.00 C ATOM 364 CG GLN A 24 -1.920 -15.106 1.818 1.00 0.00 C ATOM 365 CD GLN A 24 -1.069 -15.905 0.829 1.00 0.00 C ATOM 366 OE1 GLN A 24 0.138 -15.816 0.832 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.664 -16.698 -0.021 1.00 0.00 N ATOM 0 H GLN A 24 0.790 -16.169 2.128 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.542 -16.306 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.893 -14.573 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.373 -14.289 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.886 -15.593 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.117 -14.112 1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.681 -16.773 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.111 -17.243 -0.683 1.00 0.00 H new ATOM 376 N LYS A 25 -2.355 -17.989 4.360 1.00 0.00 N ATOM 377 CA LYS A 25 -3.357 -19.064 4.103 1.00 0.00 C ATOM 378 C LYS A 25 -4.701 -18.403 3.806 1.00 0.00 C ATOM 379 O LYS A 25 -5.086 -18.238 2.665 1.00 0.00 O ATOM 380 CB LYS A 25 -3.473 -19.948 5.347 1.00 0.00 C ATOM 381 CG LYS A 25 -4.477 -21.075 5.099 1.00 0.00 C ATOM 382 CD LYS A 25 -4.576 -21.943 6.354 1.00 0.00 C ATOM 383 CE LYS A 25 -5.549 -23.097 6.108 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.981 -24.015 5.081 1.00 0.00 N ATOM 0 H LYS A 25 -2.241 -17.721 5.338 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.053 -19.680 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.498 -20.367 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.791 -19.349 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.454 -20.660 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.162 -21.679 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.593 -22.333 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.916 -21.342 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.729 -23.639 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.511 -22.710 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.457 -24.938 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.127 -23.610 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.963 -24.139 5.251 1.00 0.00 H new ATOM 398 N ALA A 26 -5.402 -17.988 4.823 1.00 0.00 N ATOM 399 CA ALA A 26 -6.702 -17.298 4.602 1.00 0.00 C ATOM 400 C ALA A 26 -6.388 -15.823 4.298 1.00 0.00 C ATOM 401 O ALA A 26 -5.332 -15.342 4.658 1.00 0.00 O ATOM 402 CB ALA A 26 -7.563 -17.426 5.878 1.00 0.00 C ATOM 0 H ALA A 26 -5.130 -18.097 5.800 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.257 -17.738 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.518 -16.923 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.739 -18.480 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.041 -16.966 6.717 1.00 0.00 H new ATOM 408 N PRO A 27 -7.271 -15.098 3.656 1.00 0.00 N ATOM 409 CA PRO A 27 -6.988 -13.670 3.360 1.00 0.00 C ATOM 410 C PRO A 27 -6.416 -12.956 4.594 1.00 0.00 C ATOM 411 O PRO A 27 -6.705 -13.323 5.715 1.00 0.00 O ATOM 412 CB PRO A 27 -8.379 -13.139 2.971 1.00 0.00 C ATOM 413 CG PRO A 27 -9.288 -14.352 2.677 1.00 0.00 C ATOM 414 CD PRO A 27 -8.583 -15.625 3.190 1.00 0.00 C ATOM 0 HA PRO A 27 -6.240 -13.513 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.796 -12.537 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.309 -12.494 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.254 -14.230 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.481 -14.431 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.140 -16.100 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.465 -16.370 2.403 1.00 0.00 H new ATOM 422 N LEU A 28 -5.598 -11.957 4.407 1.00 0.00 N ATOM 423 CA LEU A 28 -5.015 -11.264 5.591 1.00 0.00 C ATOM 424 C LEU A 28 -6.146 -10.671 6.433 1.00 0.00 C ATOM 425 O LEU A 28 -6.256 -10.932 7.614 1.00 0.00 O ATOM 426 CB LEU A 28 -4.087 -10.138 5.122 1.00 0.00 C ATOM 427 CG LEU A 28 -2.877 -10.723 4.377 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.103 -9.583 3.708 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.949 -11.469 5.355 1.00 0.00 C ATOM 0 H LEU A 28 -5.311 -11.594 3.498 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.446 -11.977 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.631 -9.457 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.749 -9.555 5.979 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.230 -11.429 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.242 -9.990 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.754 -9.066 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.761 -8.880 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.098 -11.877 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.593 -10.777 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.499 -12.282 5.830 1.00 0.00 H new ATOM 441 N CYS A 29 -6.997 -9.888 5.830 1.00 0.00 N ATOM 442 CA CYS A 29 -8.133 -9.291 6.590 1.00 0.00 C ATOM 443 C CYS A 29 -9.292 -10.285 6.631 1.00 0.00 C ATOM 444 O CYS A 29 -9.305 -11.271 5.922 1.00 0.00 O ATOM 445 CB CYS A 29 -8.600 -8.004 5.899 1.00 0.00 C ATOM 446 SG CYS A 29 -7.495 -6.645 6.341 1.00 0.00 S ATOM 0 H CYS A 29 -6.956 -9.635 4.843 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.805 -9.061 7.604 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.609 -8.142 4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.621 -7.768 6.199 1.00 0.00 H new ATOM 451 N ASN A 30 -10.274 -10.018 7.442 1.00 0.00 N ATOM 452 CA ASN A 30 -11.448 -10.926 7.516 1.00 0.00 C ATOM 453 C ASN A 30 -12.239 -10.831 6.206 1.00 0.00 C ATOM 454 O ASN A 30 -13.454 -10.836 6.202 1.00 0.00 O ATOM 455 CB ASN A 30 -12.332 -10.505 8.692 1.00 0.00 C ATOM 456 CG ASN A 30 -11.571 -10.737 9.998 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.500 -9.862 10.838 1.00 0.00 O ATOM 458 ND2 ASN A 30 -10.992 -11.888 10.204 1.00 0.00 N ATOM 0 H ASN A 30 -10.314 -9.207 8.059 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.119 -11.955 7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.607 -9.454 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.259 -11.078 8.690 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.480 -12.053 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.052 -12.622 9.499 1.00 0.00 H new ATOM 465 N GLY A 31 -11.557 -10.735 5.093 1.00 0.00 N ATOM 466 CA GLY A 31 -12.265 -10.628 3.784 1.00 0.00 C ATOM 467 C GLY A 31 -12.665 -9.172 3.544 1.00 0.00 C ATOM 468 O GLY A 31 -13.578 -8.882 2.796 1.00 0.00 O ATOM 0 H GLY A 31 -10.539 -10.726 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.619 -10.977 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.149 -11.265 3.783 1.00 0.00 H new ATOM 472 N SER A 32 -11.990 -8.254 4.179 1.00 0.00 N ATOM 473 CA SER A 32 -12.327 -6.815 3.995 1.00 0.00 C ATOM 474 C SER A 32 -12.009 -6.391 2.557 1.00 0.00 C ATOM 475 O SER A 32 -11.106 -6.914 1.929 1.00 0.00 O ATOM 476 CB SER A 32 -11.497 -5.976 4.968 1.00 0.00 C ATOM 477 OG SER A 32 -11.734 -6.428 6.296 1.00 0.00 O ATOM 0 H SER A 32 -11.218 -8.439 4.819 1.00 0.00 H new ATOM 0 HA SER A 32 -13.389 -6.662 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.437 -6.060 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.763 -4.923 4.877 1.00 0.00 H new ATOM 0 HG SER A 32 -11.203 -5.894 6.923 1.00 0.00 H new ATOM 483 N MET A 33 -12.747 -5.440 2.035 1.00 0.00 N ATOM 484 CA MET A 33 -12.509 -4.955 0.637 1.00 0.00 C ATOM 485 C MET A 33 -12.138 -3.467 0.682 1.00 0.00 C ATOM 486 O MET A 33 -12.503 -2.760 1.600 1.00 0.00 O ATOM 487 CB MET A 33 -13.785 -5.148 -0.186 1.00 0.00 C ATOM 488 CG MET A 33 -14.150 -6.636 -0.221 1.00 0.00 C ATOM 489 SD MET A 33 -15.662 -6.881 -1.194 1.00 0.00 S ATOM 490 CE MET A 33 -14.968 -6.559 -2.836 1.00 0.00 C ATOM 0 H MET A 33 -13.512 -4.974 2.523 1.00 0.00 H new ATOM 0 HA MET A 33 -11.697 -5.518 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.602 -4.572 0.249 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.637 -4.775 -1.199 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.331 -7.210 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.296 -7.007 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.321 -7.317 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.285 -5.574 -3.178 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.880 -6.592 -2.784 1.00 0.00 H new ATOM 500 N VAL A 34 -11.402 -2.991 -0.298 1.00 0.00 N ATOM 501 CA VAL A 34 -10.984 -1.547 -0.317 1.00 0.00 C ATOM 502 C VAL A 34 -11.297 -0.920 -1.675 1.00 0.00 C ATOM 503 O VAL A 34 -11.478 -1.602 -2.664 1.00 0.00 O ATOM 504 CB VAL A 34 -9.482 -1.448 -0.044 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.193 -2.039 1.330 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.706 -2.235 -1.105 1.00 0.00 C ATOM 0 H VAL A 34 -11.071 -3.543 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.536 -1.010 0.455 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.173 -0.403 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.125 -1.974 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.744 -1.483 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.504 -3.084 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.637 -2.160 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.008 -3.282 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.920 -1.824 -2.092 1.00 0.00 H new ATOM 516 N TRP A 35 -11.371 0.385 -1.722 1.00 0.00 N ATOM 517 CA TRP A 35 -11.681 1.076 -3.005 1.00 0.00 C ATOM 518 C TRP A 35 -10.482 0.982 -3.947 1.00 0.00 C ATOM 519 O TRP A 35 -9.355 1.215 -3.558 1.00 0.00 O ATOM 520 CB TRP A 35 -11.968 2.556 -2.729 1.00 0.00 C ATOM 521 CG TRP A 35 -13.203 2.694 -1.900 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.231 2.746 -0.548 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.584 2.811 -2.342 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.544 2.882 -0.133 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.415 2.926 -1.204 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.188 2.824 -3.610 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.800 3.049 -1.320 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.583 2.948 -3.732 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.387 3.059 -2.588 1.00 0.00 C ATOM 0 H TRP A 35 -11.229 1.003 -0.923 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.549 0.602 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.122 3.008 -2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.091 3.092 -3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.369 2.690 0.101 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.833 2.942 0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.577 2.738 -4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.414 3.136 -0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -17.038 2.958 -4.711 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.458 3.152 -2.687 1.00 0.00 H new ATOM 540 N SER A 36 -10.715 0.658 -5.190 1.00 0.00 N ATOM 541 CA SER A 36 -9.586 0.573 -6.154 1.00 0.00 C ATOM 542 C SER A 36 -9.086 1.988 -6.449 1.00 0.00 C ATOM 543 O SER A 36 -9.844 2.937 -6.418 1.00 0.00 O ATOM 544 CB SER A 36 -10.065 -0.086 -7.449 1.00 0.00 C ATOM 545 OG SER A 36 -10.947 0.798 -8.128 1.00 0.00 O ATOM 0 H SER A 36 -11.636 0.450 -5.577 1.00 0.00 H new ATOM 0 HA SER A 36 -8.779 -0.024 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.213 -0.327 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.573 -1.025 -7.227 1.00 0.00 H new ATOM 0 HG SER A 36 -11.254 0.379 -8.959 1.00 0.00 H new ATOM 551 N ILE A 37 -7.818 2.139 -6.738 1.00 0.00 N ATOM 552 CA ILE A 37 -7.257 3.496 -7.040 1.00 0.00 C ATOM 553 C ILE A 37 -6.423 3.429 -8.318 1.00 0.00 C ATOM 554 O ILE A 37 -6.022 2.368 -8.755 1.00 0.00 O ATOM 555 CB ILE A 37 -6.369 3.961 -5.878 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.331 2.876 -5.542 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.240 4.235 -4.649 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.177 3.495 -4.744 1.00 0.00 C ATOM 0 H ILE A 37 -7.141 1.377 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.077 4.202 -7.173 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.848 4.874 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.798 2.078 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.951 2.426 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.610 4.565 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.967 5.012 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.764 3.323 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.444 2.724 -4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.703 4.277 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.563 3.924 -3.819 1.00 0.00 H new ATOM 570 N ASN A 38 -6.143 4.555 -8.913 1.00 0.00 N ATOM 571 CA ASN A 38 -5.318 4.556 -10.152 1.00 0.00 C ATOM 572 C ASN A 38 -3.845 4.548 -9.744 1.00 0.00 C ATOM 573 O ASN A 38 -3.382 5.424 -9.042 1.00 0.00 O ATOM 574 CB ASN A 38 -5.622 5.815 -10.970 1.00 0.00 C ATOM 575 CG ASN A 38 -4.856 5.763 -12.292 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.786 6.743 -13.006 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.274 4.652 -12.651 1.00 0.00 N ATOM 0 H ASN A 38 -6.450 5.474 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.545 3.680 -10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.693 5.888 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.337 6.704 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.760 4.607 -13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.333 3.829 -12.052 1.00 0.00 H new ATOM 584 N LEU A 39 -3.108 3.553 -10.159 1.00 0.00 N ATOM 585 CA LEU A 39 -1.671 3.482 -9.769 1.00 0.00 C ATOM 586 C LEU A 39 -0.855 4.415 -10.669 1.00 0.00 C ATOM 587 O LEU A 39 -0.797 4.240 -11.870 1.00 0.00 O ATOM 588 CB LEU A 39 -1.154 2.044 -9.935 1.00 0.00 C ATOM 589 CG LEU A 39 -1.783 1.096 -8.893 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.331 1.469 -7.471 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.315 1.150 -8.979 1.00 0.00 C ATOM 0 H LEU A 39 -3.438 2.789 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.568 3.785 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.383 1.687 -10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.069 2.032 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.447 0.083 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.787 0.787 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.246 1.395 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.639 2.490 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.745 0.476 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.655 2.167 -8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.634 0.845 -9.975 1.00 0.00 H new ATOM 603 N THR A 40 -0.226 5.411 -10.097 1.00 0.00 N ATOM 604 CA THR A 40 0.586 6.363 -10.913 1.00 0.00 C ATOM 605 C THR A 40 1.813 6.816 -10.112 1.00 0.00 C ATOM 606 O THR A 40 2.793 6.104 -10.009 1.00 0.00 O ATOM 607 CB THR A 40 -0.270 7.582 -11.259 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.870 8.085 -10.073 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.360 7.175 -12.252 1.00 0.00 C ATOM 0 H THR A 40 -0.240 5.606 -9.096 1.00 0.00 H new ATOM 0 HA THR A 40 0.915 5.869 -11.827 1.00 0.00 H new ATOM 0 HB THR A 40 0.356 8.354 -11.707 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.418 8.868 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.970 8.044 -12.499 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.898 6.786 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.989 6.405 -11.806 1.00 0.00 H new ATOM 617 N ALA A 41 1.765 8.001 -9.547 1.00 0.00 N ATOM 618 CA ALA A 41 2.924 8.522 -8.749 1.00 0.00 C ATOM 619 C ALA A 41 2.540 8.605 -7.269 1.00 0.00 C ATOM 620 O ALA A 41 3.110 7.934 -6.431 1.00 0.00 O ATOM 621 CB ALA A 41 3.288 9.923 -9.248 1.00 0.00 C ATOM 0 H ALA A 41 0.967 8.634 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 41 3.774 7.849 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.130 10.307 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.562 9.874 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.432 10.587 -9.126 1.00 0.00 H new ATOM 627 N GLY A 42 1.581 9.428 -6.941 1.00 0.00 N ATOM 628 CA GLY A 42 1.160 9.563 -5.515 1.00 0.00 C ATOM 629 C GLY A 42 0.467 8.279 -5.057 1.00 0.00 C ATOM 630 O GLY A 42 -0.516 8.313 -4.344 1.00 0.00 O ATOM 0 H GLY A 42 1.069 10.015 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.028 9.763 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.485 10.411 -5.404 1.00 0.00 H new ATOM 634 N MET A 43 0.965 7.146 -5.468 1.00 0.00 N ATOM 635 CA MET A 43 0.333 5.859 -5.063 1.00 0.00 C ATOM 636 C MET A 43 0.418 5.699 -3.546 1.00 0.00 C ATOM 637 O MET A 43 -0.505 5.237 -2.905 1.00 0.00 O ATOM 638 CB MET A 43 1.085 4.709 -5.725 1.00 0.00 C ATOM 639 CG MET A 43 1.010 4.874 -7.239 1.00 0.00 C ATOM 640 SD MET A 43 1.739 3.432 -8.055 1.00 0.00 S ATOM 641 CE MET A 43 3.404 3.588 -7.368 1.00 0.00 C ATOM 0 H MET A 43 1.785 7.056 -6.068 1.00 0.00 H new ATOM 0 HA MET A 43 -0.712 5.854 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.125 4.701 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.650 3.754 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.028 4.992 -7.549 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.538 5.779 -7.541 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.131 3.205 -8.085 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.616 4.637 -7.162 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.471 3.016 -6.443 1.00 0.00 H new ATOM 651 N TYR A 44 1.527 6.072 -2.971 1.00 0.00 N ATOM 652 CA TYR A 44 1.688 5.939 -1.497 1.00 0.00 C ATOM 653 C TYR A 44 0.614 6.772 -0.793 1.00 0.00 C ATOM 654 O TYR A 44 -0.015 6.326 0.147 1.00 0.00 O ATOM 655 CB TYR A 44 3.077 6.446 -1.100 1.00 0.00 C ATOM 656 CG TYR A 44 4.139 5.528 -1.662 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.588 4.433 -0.914 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.675 5.773 -2.932 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.574 3.585 -1.434 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.660 4.925 -3.453 1.00 0.00 C ATOM 661 CZ TYR A 44 6.110 3.831 -2.704 1.00 0.00 C ATOM 662 OH TYR A 44 7.083 2.997 -3.216 1.00 0.00 O ATOM 0 H TYR A 44 2.331 6.464 -3.460 1.00 0.00 H new ATOM 0 HA TYR A 44 1.582 4.895 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.225 7.459 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.161 6.492 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.174 4.242 0.065 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.328 6.617 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.921 2.742 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.073 5.115 -4.433 1.00 0.00 H new ATOM 0 HH TYR A 44 7.345 3.309 -4.107 1.00 0.00 H new ATOM 672 N CYS A 45 0.394 7.977 -1.246 1.00 0.00 N ATOM 673 CA CYS A 45 -0.644 8.841 -0.614 1.00 0.00 C ATOM 674 C CYS A 45 -2.026 8.235 -0.879 1.00 0.00 C ATOM 675 O CYS A 45 -2.786 7.967 0.031 1.00 0.00 O ATOM 676 CB CYS A 45 -0.579 10.244 -1.223 1.00 0.00 C ATOM 677 SG CYS A 45 0.841 11.139 -0.542 1.00 0.00 S ATOM 0 H CYS A 45 0.890 8.401 -2.029 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.468 8.904 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.493 10.177 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.500 10.787 -1.010 1.00 0.00 H new ATOM 682 N ALA A 46 -2.350 8.019 -2.126 1.00 0.00 N ATOM 683 CA ALA A 46 -3.677 7.434 -2.473 1.00 0.00 C ATOM 684 C ALA A 46 -3.819 6.052 -1.833 1.00 0.00 C ATOM 685 O ALA A 46 -4.845 5.709 -1.278 1.00 0.00 O ATOM 686 CB ALA A 46 -3.781 7.289 -3.992 1.00 0.00 C ATOM 0 H ALA A 46 -1.748 8.224 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.465 8.089 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.750 6.862 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.680 8.269 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.987 6.633 -4.350 1.00 0.00 H new ATOM 692 N ALA A 47 -2.801 5.249 -1.917 1.00 0.00 N ATOM 693 CA ALA A 47 -2.883 3.890 -1.325 1.00 0.00 C ATOM 694 C ALA A 47 -3.098 3.992 0.186 1.00 0.00 C ATOM 695 O ALA A 47 -3.831 3.219 0.772 1.00 0.00 O ATOM 696 CB ALA A 47 -1.587 3.127 -1.608 1.00 0.00 C ATOM 0 H ALA A 47 -1.915 5.475 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.723 3.357 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.649 2.130 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.441 3.044 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.746 3.663 -1.168 1.00 0.00 H new ATOM 702 N LEU A 48 -2.448 4.922 0.827 1.00 0.00 N ATOM 703 CA LEU A 48 -2.600 5.048 2.303 1.00 0.00 C ATOM 704 C LEU A 48 -4.062 5.320 2.680 1.00 0.00 C ATOM 705 O LEU A 48 -4.608 4.657 3.534 1.00 0.00 O ATOM 706 CB LEU A 48 -1.710 6.197 2.798 1.00 0.00 C ATOM 707 CG LEU A 48 -1.843 6.369 4.320 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.426 5.076 5.041 1.00 0.00 C ATOM 709 CD2 LEU A 48 -0.929 7.517 4.764 1.00 0.00 C ATOM 0 H LEU A 48 -1.820 5.599 0.394 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.298 4.112 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.670 5.996 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.990 7.123 2.296 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.880 6.591 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.525 5.212 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.068 4.256 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.389 4.842 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.012 7.652 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.103 7.281 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.228 8.436 4.259 1.00 0.00 H new ATOM 721 N GLU A 49 -4.705 6.278 2.063 1.00 0.00 N ATOM 722 CA GLU A 49 -6.129 6.563 2.430 1.00 0.00 C ATOM 723 C GLU A 49 -6.998 5.329 2.188 1.00 0.00 C ATOM 724 O GLU A 49 -7.936 5.073 2.916 1.00 0.00 O ATOM 725 CB GLU A 49 -6.671 7.743 1.617 1.00 0.00 C ATOM 726 CG GLU A 49 -6.379 7.535 0.136 1.00 0.00 C ATOM 727 CD GLU A 49 -7.078 8.627 -0.677 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.999 9.230 -0.151 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.682 8.841 -1.810 1.00 0.00 O ATOM 0 H GLU A 49 -4.314 6.870 1.330 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.161 6.821 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.745 7.840 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.214 8.671 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.304 7.565 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.727 6.552 -0.180 1.00 0.00 H new ATOM 736 N SER A 50 -6.703 4.558 1.180 1.00 0.00 N ATOM 737 CA SER A 50 -7.532 3.346 0.920 1.00 0.00 C ATOM 738 C SER A 50 -7.428 2.401 2.121 1.00 0.00 C ATOM 739 O SER A 50 -8.397 1.795 2.533 1.00 0.00 O ATOM 740 CB SER A 50 -7.024 2.636 -0.337 1.00 0.00 C ATOM 741 OG SER A 50 -5.730 2.105 -0.087 1.00 0.00 O ATOM 0 H SER A 50 -5.932 4.711 0.530 1.00 0.00 H new ATOM 0 HA SER A 50 -8.572 3.638 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.709 1.837 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.988 3.334 -1.173 1.00 0.00 H new ATOM 0 HG SER A 50 -5.189 2.771 0.386 1.00 0.00 H new ATOM 747 N LEU A 51 -6.257 2.272 2.681 1.00 0.00 N ATOM 748 CA LEU A 51 -6.075 1.369 3.855 1.00 0.00 C ATOM 749 C LEU A 51 -6.788 1.953 5.081 1.00 0.00 C ATOM 750 O LEU A 51 -7.349 1.234 5.884 1.00 0.00 O ATOM 751 CB LEU A 51 -4.581 1.228 4.152 1.00 0.00 C ATOM 752 CG LEU A 51 -3.860 0.633 2.934 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.352 0.627 3.198 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.347 -0.805 2.675 1.00 0.00 C ATOM 0 H LEU A 51 -5.413 2.756 2.375 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.501 0.392 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.157 2.202 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.433 0.588 5.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.080 1.239 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.834 0.206 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.008 1.648 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.140 0.023 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.828 -1.215 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.139 -1.423 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.420 -0.797 2.484 1.00 0.00 H new ATOM 766 N ILE A 52 -6.766 3.250 5.236 1.00 0.00 N ATOM 767 CA ILE A 52 -7.437 3.878 6.413 1.00 0.00 C ATOM 768 C ILE A 52 -8.887 3.391 6.494 1.00 0.00 C ATOM 769 O ILE A 52 -9.533 3.513 7.516 1.00 0.00 O ATOM 770 CB ILE A 52 -7.403 5.409 6.258 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.950 5.915 6.321 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.231 6.084 7.356 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.274 5.532 7.648 1.00 0.00 C ATOM 0 H ILE A 52 -6.312 3.903 4.598 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.917 3.597 7.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.833 5.663 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.382 5.498 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.936 6.999 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.193 7.166 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.265 5.747 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.824 5.820 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.250 5.906 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.827 5.971 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.265 4.447 7.752 1.00 0.00 H new ATOM 785 N ASN A 53 -9.404 2.833 5.432 1.00 0.00 N ATOM 786 CA ASN A 53 -10.810 2.334 5.463 1.00 0.00 C ATOM 787 C ASN A 53 -10.837 0.920 6.058 1.00 0.00 C ATOM 788 O ASN A 53 -11.868 0.438 6.482 1.00 0.00 O ATOM 789 CB ASN A 53 -11.377 2.306 4.040 1.00 0.00 C ATOM 790 CG ASN A 53 -11.695 3.733 3.584 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.336 4.129 2.493 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.359 4.528 4.379 1.00 0.00 N ATOM 0 H ASN A 53 -8.915 2.701 4.546 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.418 2.997 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.658 1.848 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.279 1.694 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.576 5.480 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.661 4.197 5.295 1.00 0.00 H new ATOM 799 N VAL A 54 -9.708 0.255 6.107 1.00 0.00 N ATOM 800 CA VAL A 54 -9.668 -1.124 6.693 1.00 0.00 C ATOM 801 C VAL A 54 -9.283 -1.027 8.168 1.00 0.00 C ATOM 802 O VAL A 54 -8.253 -0.481 8.513 1.00 0.00 O ATOM 803 CB VAL A 54 -8.634 -1.977 5.953 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.723 -3.431 6.432 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.921 -1.927 4.456 1.00 0.00 C ATOM 0 H VAL A 54 -8.813 0.606 5.767 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.649 -1.588 6.593 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.636 -1.589 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.985 -4.034 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.526 -3.474 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.721 -3.820 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.187 -2.533 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.921 -2.316 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.860 -0.896 4.108 1.00 0.00 H new ATOM 815 N SER A 55 -10.106 -1.551 9.041 1.00 0.00 N ATOM 816 CA SER A 55 -9.807 -1.495 10.508 1.00 0.00 C ATOM 817 C SER A 55 -9.869 -2.908 11.096 1.00 0.00 C ATOM 818 O SER A 55 -10.602 -3.755 10.627 1.00 0.00 O ATOM 819 CB SER A 55 -10.849 -0.610 11.192 1.00 0.00 C ATOM 820 OG SER A 55 -10.821 0.683 10.600 1.00 0.00 O ATOM 0 H SER A 55 -10.980 -2.019 8.800 1.00 0.00 H new ATOM 0 HA SER A 55 -8.811 -1.083 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.841 -1.049 11.089 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.640 -0.540 12.260 1.00 0.00 H new ATOM 0 HG SER A 55 -11.488 1.255 11.033 1.00 0.00 H new ATOM 826 N GLY A 56 -9.101 -3.166 12.123 1.00 0.00 N ATOM 827 CA GLY A 56 -9.107 -4.522 12.753 1.00 0.00 C ATOM 828 C GLY A 56 -8.005 -5.394 12.140 1.00 0.00 C ATOM 829 O GLY A 56 -7.712 -6.467 12.629 1.00 0.00 O ATOM 0 H GLY A 56 -8.467 -2.494 12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.954 -4.432 13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.078 -4.995 12.607 1.00 0.00 H new ATOM 833 N CYS A 57 -7.387 -4.945 11.075 1.00 0.00 N ATOM 834 CA CYS A 57 -6.299 -5.754 10.438 1.00 0.00 C ATOM 835 C CYS A 57 -4.936 -5.261 10.930 1.00 0.00 C ATOM 836 O CYS A 57 -4.365 -4.338 10.384 1.00 0.00 O ATOM 837 CB CYS A 57 -6.361 -5.597 8.919 1.00 0.00 C ATOM 838 SG CYS A 57 -7.906 -6.287 8.286 1.00 0.00 S ATOM 0 H CYS A 57 -7.588 -4.055 10.619 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.433 -6.802 10.706 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.288 -4.543 8.651 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.512 -6.103 8.458 1.00 0.00 H new ATOM 843 N SER A 58 -4.409 -5.870 11.955 1.00 0.00 N ATOM 844 CA SER A 58 -3.081 -5.441 12.485 1.00 0.00 C ATOM 845 C SER A 58 -1.979 -5.783 11.478 1.00 0.00 C ATOM 846 O SER A 58 -1.015 -5.060 11.324 1.00 0.00 O ATOM 847 CB SER A 58 -2.805 -6.171 13.800 1.00 0.00 C ATOM 848 OG SER A 58 -1.582 -5.700 14.350 1.00 0.00 O ATOM 0 H SER A 58 -4.841 -6.649 12.451 1.00 0.00 H new ATOM 0 HA SER A 58 -3.092 -4.364 12.651 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.622 -6.002 14.502 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.750 -7.246 13.628 1.00 0.00 H new ATOM 0 HG SER A 58 -1.402 -6.165 15.194 1.00 0.00 H new ATOM 854 N ALA A 59 -2.106 -6.895 10.812 1.00 0.00 N ATOM 855 CA ALA A 59 -1.064 -7.320 9.833 1.00 0.00 C ATOM 856 C ALA A 59 -0.665 -6.172 8.894 1.00 0.00 C ATOM 857 O ALA A 59 0.471 -6.090 8.471 1.00 0.00 O ATOM 858 CB ALA A 59 -1.603 -8.484 8.999 1.00 0.00 C ATOM 0 H ALA A 59 -2.895 -7.535 10.904 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.179 -7.624 10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.845 -8.799 8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.850 -9.318 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.498 -8.165 8.465 1.00 0.00 H new ATOM 864 N ILE A 60 -1.581 -5.301 8.535 1.00 0.00 N ATOM 865 CA ILE A 60 -1.227 -4.187 7.589 1.00 0.00 C ATOM 866 C ILE A 60 -0.976 -2.878 8.341 1.00 0.00 C ATOM 867 O ILE A 60 -0.598 -1.886 7.749 1.00 0.00 O ATOM 868 CB ILE A 60 -2.375 -3.991 6.590 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.673 -3.631 7.328 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.584 -5.290 5.810 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.735 -3.200 6.312 1.00 0.00 C ATOM 0 H ILE A 60 -2.551 -5.311 8.852 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.311 -4.458 7.064 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.119 -3.178 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.028 -4.488 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.488 -2.827 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.398 -5.160 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.670 -5.543 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.833 -6.094 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.656 -2.944 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.378 -2.331 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.927 -4.018 5.617 1.00 0.00 H new ATOM 883 N GLU A 61 -1.172 -2.848 9.629 1.00 0.00 N ATOM 884 CA GLU A 61 -0.926 -1.577 10.364 1.00 0.00 C ATOM 885 C GLU A 61 0.536 -1.171 10.179 1.00 0.00 C ATOM 886 O GLU A 61 0.843 -0.013 9.974 1.00 0.00 O ATOM 887 CB GLU A 61 -1.241 -1.761 11.851 1.00 0.00 C ATOM 888 CG GLU A 61 -2.759 -1.761 12.054 1.00 0.00 C ATOM 889 CD GLU A 61 -3.305 -0.350 11.822 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.576 0.595 12.075 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.442 -0.238 11.392 1.00 0.00 O ATOM 0 H GLU A 61 -1.487 -3.635 10.197 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.573 -0.794 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.815 -2.698 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.785 -0.959 12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.229 -2.462 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.002 -2.095 13.063 1.00 0.00 H new ATOM 898 N LYS A 62 1.442 -2.110 10.218 1.00 0.00 N ATOM 899 CA LYS A 62 2.872 -1.751 10.006 1.00 0.00 C ATOM 900 C LYS A 62 3.027 -1.194 8.593 1.00 0.00 C ATOM 901 O LYS A 62 3.746 -0.243 8.361 1.00 0.00 O ATOM 902 CB LYS A 62 3.759 -2.991 10.164 1.00 0.00 C ATOM 903 CG LYS A 62 3.789 -3.422 11.630 1.00 0.00 C ATOM 904 CD LYS A 62 4.677 -4.660 11.780 1.00 0.00 C ATOM 905 CE LYS A 62 4.710 -5.094 13.247 1.00 0.00 C ATOM 906 NZ LYS A 62 3.352 -5.547 13.662 1.00 0.00 N ATOM 0 H LYS A 62 1.257 -3.099 10.385 1.00 0.00 H new ATOM 0 HA LYS A 62 3.175 -1.008 10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.379 -3.803 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.770 -2.773 9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.170 -2.611 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.779 -3.642 11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.296 -5.471 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.686 -4.440 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.431 -5.900 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.036 -4.265 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.428 -6.129 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.754 -4.719 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.925 -6.109 12.898 1.00 0.00 H new ATOM 920 N THR A 63 2.350 -1.786 7.645 1.00 0.00 N ATOM 921 CA THR A 63 2.445 -1.302 6.240 1.00 0.00 C ATOM 922 C THR A 63 1.981 0.152 6.159 1.00 0.00 C ATOM 923 O THR A 63 2.558 0.958 5.460 1.00 0.00 O ATOM 924 CB THR A 63 1.555 -2.162 5.341 1.00 0.00 C ATOM 925 OG1 THR A 63 1.983 -3.515 5.405 1.00 0.00 O ATOM 926 CG2 THR A 63 1.645 -1.658 3.900 1.00 0.00 C ATOM 0 H THR A 63 1.734 -2.587 7.786 1.00 0.00 H new ATOM 0 HA THR A 63 3.481 -1.372 5.909 1.00 0.00 H new ATOM 0 HB THR A 63 0.521 -2.095 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.412 -4.066 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.011 -2.271 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.311 -0.621 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.677 -1.722 3.556 1.00 0.00 H new ATOM 934 N GLN A 64 0.934 0.493 6.859 1.00 0.00 N ATOM 935 CA GLN A 64 0.431 1.893 6.803 1.00 0.00 C ATOM 936 C GLN A 64 1.525 2.850 7.280 1.00 0.00 C ATOM 937 O GLN A 64 1.721 3.910 6.721 1.00 0.00 O ATOM 938 CB GLN A 64 -0.794 2.028 7.709 1.00 0.00 C ATOM 939 CG GLN A 64 -1.961 1.235 7.114 1.00 0.00 C ATOM 940 CD GLN A 64 -3.174 1.337 8.041 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.688 0.336 8.501 1.00 0.00 O ATOM 942 NE2 GLN A 64 -3.654 2.513 8.342 1.00 0.00 N ATOM 0 H GLN A 64 0.407 -0.136 7.465 1.00 0.00 H new ATOM 0 HA GLN A 64 0.156 2.140 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.562 1.660 8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.069 3.078 7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.211 1.622 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.676 0.191 6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.223 3.353 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.460 2.591 8.963 1.00 0.00 H new ATOM 951 N ARG A 65 2.239 2.489 8.312 1.00 0.00 N ATOM 952 CA ARG A 65 3.313 3.389 8.818 1.00 0.00 C ATOM 953 C ARG A 65 4.403 3.551 7.752 1.00 0.00 C ATOM 954 O ARG A 65 4.855 4.643 7.475 1.00 0.00 O ATOM 955 CB ARG A 65 3.937 2.786 10.080 1.00 0.00 C ATOM 956 CG ARG A 65 2.929 2.826 11.230 1.00 0.00 C ATOM 957 CD ARG A 65 3.586 2.275 12.497 1.00 0.00 C ATOM 958 NE ARG A 65 2.570 2.190 13.586 1.00 0.00 N ATOM 959 CZ ARG A 65 2.843 1.538 14.684 1.00 0.00 C ATOM 960 NH1 ARG A 65 4.016 0.988 14.841 1.00 0.00 N ATOM 961 NH2 ARG A 65 1.946 1.441 15.627 1.00 0.00 N ATOM 0 H ARG A 65 2.125 1.614 8.824 1.00 0.00 H new ATOM 0 HA ARG A 65 2.879 4.362 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.243 1.757 9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.835 3.340 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.591 3.849 11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.048 2.236 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.009 1.290 12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.410 2.920 12.803 1.00 0.00 H new ATOM 0 HE ARG A 65 1.662 2.641 13.473 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.719 1.068 14.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.230 0.479 15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.031 1.875 15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.160 0.931 16.484 1.00 0.00 H new ATOM 975 N MET A 66 4.837 2.469 7.161 1.00 0.00 N ATOM 976 CA MET A 66 5.907 2.560 6.125 1.00 0.00 C ATOM 977 C MET A 66 5.409 3.351 4.909 1.00 0.00 C ATOM 978 O MET A 66 6.134 4.142 4.339 1.00 0.00 O ATOM 979 CB MET A 66 6.335 1.152 5.701 1.00 0.00 C ATOM 980 CG MET A 66 7.095 0.490 6.856 1.00 0.00 C ATOM 981 SD MET A 66 7.754 -1.109 6.318 1.00 0.00 S ATOM 982 CE MET A 66 6.178 -1.989 6.192 1.00 0.00 C ATOM 0 H MET A 66 4.497 1.526 7.351 1.00 0.00 H new ATOM 0 HA MET A 66 6.765 3.083 6.547 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.461 0.557 5.436 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.967 1.202 4.815 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.908 1.136 7.187 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.431 0.352 7.709 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.366 -3.055 6.061 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.600 -1.832 7.102 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.618 -1.611 5.337 1.00 0.00 H new ATOM 992 N LEU A 67 4.183 3.153 4.506 1.00 0.00 N ATOM 993 CA LEU A 67 3.658 3.908 3.329 1.00 0.00 C ATOM 994 C LEU A 67 3.727 5.403 3.637 1.00 0.00 C ATOM 995 O LEU A 67 4.060 6.209 2.791 1.00 0.00 O ATOM 996 CB LEU A 67 2.202 3.515 3.061 1.00 0.00 C ATOM 997 CG LEU A 67 2.117 2.073 2.529 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.651 1.629 2.531 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.665 1.991 1.092 1.00 0.00 C ATOM 0 H LEU A 67 3.524 2.505 4.937 1.00 0.00 H new ATOM 0 HA LEU A 67 4.257 3.674 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.621 3.604 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.762 4.201 2.338 1.00 0.00 H new ATOM 0 HG LEU A 67 2.714 1.424 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.579 0.608 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.260 1.670 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.069 2.292 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.596 0.964 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.080 2.642 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.707 2.310 1.081 1.00 0.00 H new ATOM 1011 N SER A 68 3.413 5.776 4.844 1.00 0.00 N ATOM 1012 CA SER A 68 3.458 7.215 5.218 1.00 0.00 C ATOM 1013 C SER A 68 4.878 7.742 5.003 1.00 0.00 C ATOM 1014 O SER A 68 5.076 8.856 4.561 1.00 0.00 O ATOM 1015 CB SER A 68 3.068 7.370 6.688 1.00 0.00 C ATOM 1016 OG SER A 68 1.687 7.066 6.842 1.00 0.00 O ATOM 0 H SER A 68 3.126 5.144 5.591 1.00 0.00 H new ATOM 0 HA SER A 68 2.761 7.781 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.670 6.706 7.308 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.268 8.387 7.024 1.00 0.00 H new ATOM 0 HG SER A 68 1.561 6.094 6.819 1.00 0.00 H new ATOM 1022 N GLY A 69 5.868 6.951 5.312 1.00 0.00 N ATOM 1023 CA GLY A 69 7.274 7.410 5.124 1.00 0.00 C ATOM 1024 C GLY A 69 7.445 7.973 3.710 1.00 0.00 C ATOM 1025 O GLY A 69 8.182 8.915 3.496 1.00 0.00 O ATOM 0 H GLY A 69 5.765 6.008 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.520 8.173 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.963 6.580 5.282 1.00 0.00 H new ATOM 1029 N PHE A 70 6.766 7.413 2.741 1.00 0.00 N ATOM 1030 CA PHE A 70 6.890 7.931 1.343 1.00 0.00 C ATOM 1031 C PHE A 70 5.797 8.972 1.101 1.00 0.00 C ATOM 1032 O PHE A 70 5.809 9.688 0.120 1.00 0.00 O ATOM 1033 CB PHE A 70 6.711 6.779 0.350 1.00 0.00 C ATOM 1034 CG PHE A 70 7.871 5.820 0.461 1.00 0.00 C ATOM 1035 CD1 PHE A 70 9.011 6.006 -0.329 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.805 4.741 1.351 1.00 0.00 C ATOM 1037 CE1 PHE A 70 10.085 5.115 -0.230 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.879 3.849 1.452 1.00 0.00 C ATOM 1039 CZ PHE A 70 10.020 4.036 0.661 1.00 0.00 C ATOM 0 H PHE A 70 6.133 6.622 2.856 1.00 0.00 H new ATOM 0 HA PHE A 70 7.874 8.380 1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.776 6.257 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.647 7.170 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.062 6.838 -1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.925 4.597 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.964 5.259 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.828 3.017 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.849 3.348 0.738 1.00 0.00 H new ATOM 1049 N CYS A 71 4.849 9.060 1.999 1.00 0.00 N ATOM 1050 CA CYS A 71 3.741 10.053 1.846 1.00 0.00 C ATOM 1051 C CYS A 71 3.382 10.630 3.230 1.00 0.00 C ATOM 1052 O CYS A 71 2.577 10.051 3.931 1.00 0.00 O ATOM 1053 CB CYS A 71 2.497 9.350 1.247 1.00 0.00 C ATOM 1054 SG CYS A 71 2.332 9.774 -0.508 1.00 0.00 S ATOM 0 H CYS A 71 4.794 8.483 2.838 1.00 0.00 H new ATOM 0 HA CYS A 71 4.060 10.857 1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.589 8.270 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.601 9.653 1.789 1.00 0.00 H new ATOM 1059 N PRO A 72 3.938 11.759 3.624 1.00 0.00 N ATOM 1060 CA PRO A 72 3.583 12.370 4.942 1.00 0.00 C ATOM 1061 C PRO A 72 2.096 12.746 4.991 1.00 0.00 C ATOM 1062 O PRO A 72 1.721 13.775 5.518 1.00 0.00 O ATOM 1063 CB PRO A 72 4.470 13.631 4.970 1.00 0.00 C ATOM 1064 CG PRO A 72 5.487 13.524 3.822 1.00 0.00 C ATOM 1065 CD PRO A 72 4.950 12.498 2.815 1.00 0.00 C ATOM 0 HA PRO A 72 3.742 11.703 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.861 14.528 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.984 13.714 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.626 14.493 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.461 13.214 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.503 12.978 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.736 11.839 2.447 1.00 0.00 H new ATOM 1073 N HIS A 73 1.259 11.946 4.395 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.190 12.270 4.340 1.00 0.00 C ATOM 1075 C HIS A 73 -0.940 11.676 5.538 1.00 0.00 C ATOM 1076 O HIS A 73 -1.327 10.524 5.537 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.751 11.693 3.017 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.586 12.725 2.321 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.956 12.781 2.464 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.244 13.762 1.500 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.397 13.825 1.746 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.392 14.462 1.133 1.00 0.00 N ATOM 0 H HIS A 73 1.521 11.072 3.939 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.327 13.351 4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.069 11.380 2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.351 10.806 3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.240 14.002 1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.435 14.115 1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.453 15.281 0.529 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.189 12.474 6.539 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.962 11.977 7.707 1.00 0.00 C ATOM 1092 C LYS A 74 -3.441 12.068 7.330 1.00 0.00 C ATOM 1093 O LYS A 74 -4.054 13.110 7.451 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.685 12.864 8.923 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.179 12.893 9.217 1.00 0.00 C ATOM 1096 CD LYS A 74 0.292 11.525 9.733 1.00 0.00 C ATOM 1097 CE LYS A 74 1.629 11.685 10.463 1.00 0.00 C ATOM 1098 NZ LYS A 74 2.062 10.366 11.004 1.00 0.00 N ATOM 0 H LYS A 74 -0.890 13.448 6.597 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.682 10.954 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.047 13.875 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.226 12.486 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.370 13.156 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.039 13.663 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.454 11.103 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.401 10.829 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.384 12.075 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.529 12.407 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.970 10.475 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.345 10.011 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.174 9.690 10.222 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.013 10.999 6.840 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.447 11.036 6.413 1.00 0.00 C ATOM 1114 C VAL A 75 -6.343 10.417 7.483 1.00 0.00 C ATOM 1115 O VAL A 75 -6.107 9.319 7.946 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.608 10.234 5.124 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.054 10.339 4.642 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.675 10.800 4.055 1.00 0.00 C ATOM 0 H VAL A 75 -3.549 10.099 6.716 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.736 12.076 6.259 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.359 9.189 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.173 9.768 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.722 9.940 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.300 11.384 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.788 10.229 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.927 11.844 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.643 10.732 4.400 1.00 0.00 H new ATOM 1128 N SER A 76 -7.388 11.104 7.862 1.00 0.00 N ATOM 1129 CA SER A 76 -8.320 10.545 8.881 1.00 0.00 C ATOM 1130 C SER A 76 -9.425 9.784 8.149 1.00 0.00 C ATOM 1131 O SER A 76 -9.564 9.884 6.946 1.00 0.00 O ATOM 1132 CB SER A 76 -8.934 11.681 9.702 1.00 0.00 C ATOM 1133 OG SER A 76 -9.711 12.511 8.850 1.00 0.00 O ATOM 0 H SER A 76 -7.635 12.028 7.509 1.00 0.00 H new ATOM 0 HA SER A 76 -7.783 9.878 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.557 11.274 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.148 12.266 10.180 1.00 0.00 H new ATOM 0 HG SER A 76 -10.107 13.238 9.374 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.203 9.017 8.853 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.286 8.243 8.185 1.00 0.00 C ATOM 1141 C ALA A 77 -12.281 9.195 7.514 1.00 0.00 C ATOM 1142 O ALA A 77 -13.059 8.794 6.671 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.019 7.399 9.228 1.00 0.00 C ATOM 0 H ALA A 77 -10.138 8.891 9.863 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.845 7.597 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.813 6.831 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.316 6.712 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.451 8.052 9.986 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.276 10.448 7.884 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.238 11.415 7.270 1.00 0.00 C ATOM 1151 C GLY A 78 -12.609 12.103 6.054 1.00 0.00 C ATOM 1152 O GLY A 78 -13.291 12.451 5.111 1.00 0.00 O ATOM 0 H GLY A 78 -11.649 10.845 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.146 10.892 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.530 12.163 8.007 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.319 12.313 6.065 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.666 12.993 4.904 1.00 0.00 C ATOM 1158 C GLN A 79 -10.290 11.963 3.837 1.00 0.00 C ATOM 1159 O GLN A 79 -9.635 10.978 4.116 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.391 13.695 5.374 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.742 14.845 6.320 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.455 15.388 6.943 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.455 14.699 6.991 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.432 16.602 7.420 1.00 0.00 N ATOM 0 H GLN A 79 -10.691 12.045 6.823 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.363 13.719 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.740 12.983 5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.839 14.076 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.260 15.635 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.420 14.498 7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.270 17.181 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.576 16.972 7.832 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.691 12.195 2.612 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.357 11.252 1.496 1.00 0.00 C ATOM 1175 C PHE A 80 -9.783 12.049 0.322 1.00 0.00 C ATOM 1176 O PHE A 80 -10.108 13.205 0.142 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.619 10.517 1.059 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.032 9.548 2.143 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.340 8.341 2.301 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.102 9.857 2.992 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.717 7.443 3.306 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.479 8.959 3.998 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.787 7.752 4.155 1.00 0.00 C ATOM 0 H PHE A 80 -11.242 13.007 2.333 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.620 10.523 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.421 11.230 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.438 9.982 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.514 8.103 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.636 10.788 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.183 6.512 3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.304 9.197 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.078 7.059 4.931 1.00 0.00 H new ATOM 1193 N SER A 81 -8.913 11.450 -0.466 1.00 0.00 N ATOM 1194 CA SER A 81 -8.297 12.185 -1.624 1.00 0.00 C ATOM 1195 C SER A 81 -8.558 11.465 -2.960 1.00 0.00 C ATOM 1196 O SER A 81 -8.938 12.084 -3.934 1.00 0.00 O ATOM 1197 CB SER A 81 -6.786 12.279 -1.403 1.00 0.00 C ATOM 1198 OG SER A 81 -6.532 12.695 -0.067 1.00 0.00 O ATOM 0 H SER A 81 -8.604 10.484 -0.356 1.00 0.00 H new ATOM 0 HA SER A 81 -8.749 13.175 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.319 11.312 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.347 12.987 -2.106 1.00 0.00 H new ATOM 0 HG SER A 81 -5.565 12.755 0.079 1.00 0.00 H new ATOM 1204 N SER A 82 -8.311 10.177 -3.034 1.00 0.00 N ATOM 1205 CA SER A 82 -8.497 9.442 -4.335 1.00 0.00 C ATOM 1206 C SER A 82 -9.843 8.701 -4.403 1.00 0.00 C ATOM 1207 O SER A 82 -10.153 8.078 -5.399 1.00 0.00 O ATOM 1208 CB SER A 82 -7.363 8.429 -4.491 1.00 0.00 C ATOM 1209 OG SER A 82 -7.307 7.988 -5.842 1.00 0.00 O ATOM 0 H SER A 82 -7.990 9.602 -2.255 1.00 0.00 H new ATOM 0 HA SER A 82 -8.486 10.178 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.414 8.882 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.524 7.580 -3.826 1.00 0.00 H new ATOM 0 HG SER A 82 -8.217 7.888 -6.192 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.643 8.747 -3.375 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.959 8.025 -3.422 1.00 0.00 C ATOM 1217 C LEU A 83 -13.034 8.945 -4.014 1.00 0.00 C ATOM 1218 O LEU A 83 -14.211 8.778 -3.760 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.365 7.605 -2.003 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.628 6.324 -1.596 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.139 6.619 -1.404 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.215 5.805 -0.282 1.00 0.00 C ATOM 0 H LEU A 83 -10.451 9.248 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.861 7.138 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.134 8.405 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.442 7.443 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.746 5.574 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.621 5.704 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.719 6.994 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.014 7.369 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.695 4.894 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.093 6.560 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.275 5.591 -0.417 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.647 9.910 -4.801 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.657 10.828 -5.402 1.00 0.00 C ATOM 1236 C HIS A 84 -14.424 10.083 -6.488 1.00 0.00 C ATOM 1237 O HIS A 84 -15.616 10.252 -6.655 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.952 12.024 -6.036 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.068 12.677 -5.019 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.149 12.379 -3.671 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.075 13.612 -5.140 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.227 13.123 -3.037 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.543 13.895 -3.886 1.00 0.00 N ATOM 0 H HIS A 84 -11.678 10.103 -5.054 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.339 11.172 -4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.361 11.700 -6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.687 12.738 -6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.754 14.062 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.059 13.100 -1.970 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.793 14.550 -3.663 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.743 9.265 -7.232 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.415 8.506 -8.316 1.00 0.00 C ATOM 1253 C VAL A 85 -15.196 7.343 -7.709 1.00 0.00 C ATOM 1254 O VAL A 85 -14.807 6.781 -6.703 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.359 7.973 -9.282 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -14.043 7.453 -10.546 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.397 9.106 -9.648 1.00 0.00 C ATOM 0 H VAL A 85 -12.743 9.088 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.103 9.158 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.805 7.161 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.290 7.072 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.733 6.651 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.594 8.264 -11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.640 8.732 -10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.952 9.916 -10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.913 9.478 -8.745 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.299 6.976 -8.304 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.102 5.852 -7.746 1.00 0.00 C ATOM 1269 C ARG A 86 -16.617 4.536 -8.342 1.00 0.00 C ATOM 1270 O ARG A 86 -17.305 3.894 -9.111 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.578 6.048 -8.101 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.142 7.229 -7.312 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.617 7.424 -7.666 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.743 7.816 -9.098 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.908 7.765 -9.684 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.955 7.371 -9.013 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.027 8.109 -10.937 1.00 0.00 N ATOM 0 H ARG A 86 -16.677 7.404 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.986 5.831 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.684 6.228 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.141 5.143 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.035 7.049 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.580 8.134 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.170 6.503 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.055 8.192 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.921 8.123 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.862 7.104 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.867 7.330 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.208 8.419 -11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -22.939 8.068 -11.393 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.440 4.120 -7.968 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.903 2.833 -8.480 1.00 0.00 C ATOM 1293 C ASP A 87 -15.472 1.705 -7.625 1.00 0.00 C ATOM 1294 O ASP A 87 -16.081 1.944 -6.602 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.375 2.835 -8.382 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.795 3.807 -9.411 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.489 4.107 -10.369 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.665 4.229 -9.228 1.00 0.00 O ATOM 0 H ASP A 87 -14.825 4.620 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.187 2.695 -9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.065 3.125 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.988 1.831 -8.557 1.00 0.00 H new ATOM 1303 N THR A 88 -15.287 0.480 -8.024 1.00 0.00 N ATOM 1304 CA THR A 88 -15.830 -0.650 -7.216 1.00 0.00 C ATOM 1305 C THR A 88 -14.781 -1.079 -6.192 1.00 0.00 C ATOM 1306 O THR A 88 -13.612 -0.775 -6.323 1.00 0.00 O ATOM 1307 CB THR A 88 -16.158 -1.824 -8.139 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.963 -2.299 -8.743 1.00 0.00 O ATOM 1309 CG2 THR A 88 -17.134 -1.363 -9.225 1.00 0.00 C ATOM 0 H THR A 88 -14.786 0.210 -8.871 1.00 0.00 H new ATOM 0 HA THR A 88 -16.737 -0.334 -6.701 1.00 0.00 H new ATOM 0 HB THR A 88 -16.615 -2.626 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.172 -3.053 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.368 -2.200 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.051 -1.000 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.679 -0.561 -9.806 1.00 0.00 H new ATOM 1317 N LYS A 89 -15.188 -1.774 -5.165 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.211 -2.211 -4.125 1.00 0.00 C ATOM 1319 C LYS A 89 -13.583 -3.544 -4.531 1.00 0.00 C ATOM 1320 O LYS A 89 -14.172 -4.328 -5.248 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.924 -2.396 -2.787 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.507 -1.069 -2.306 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.210 -1.302 -0.968 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.805 0.009 -0.458 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.753 -0.281 0.654 1.00 0.00 N ATOM 0 H LYS A 89 -16.154 -2.058 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.438 -1.449 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.720 -3.134 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.225 -2.783 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.717 -0.327 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.211 -0.677 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.997 -2.047 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.502 -1.698 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.012 0.671 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.322 0.526 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.160 0.610 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.515 -0.898 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.246 -0.757 1.427 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.385 -3.801 -4.068 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.683 -5.078 -4.404 1.00 0.00 C ATOM 1341 C ILE A 90 -11.157 -5.723 -3.119 1.00 0.00 C ATOM 1342 O ILE A 90 -11.004 -5.073 -2.104 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.518 -4.775 -5.350 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.604 -3.715 -4.723 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -11.068 -4.249 -6.676 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.321 -3.596 -5.544 1.00 0.00 C ATOM 0 H ILE A 90 -11.857 -3.172 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.375 -5.765 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.947 -5.687 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.116 -2.753 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.366 -3.987 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.241 -4.032 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.716 -5.001 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.639 -3.338 -6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.672 -2.842 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.806 -4.557 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.568 -3.304 -6.565 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.878 -6.996 -3.155 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.361 -7.683 -1.937 1.00 0.00 C ATOM 1360 C GLU A 91 -8.979 -7.123 -1.585 1.00 0.00 C ATOM 1361 O GLU A 91 -8.203 -6.774 -2.453 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.250 -9.183 -2.213 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.637 -9.742 -2.537 1.00 0.00 C ATOM 1364 CD GLU A 91 -12.500 -9.735 -1.274 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.937 -9.820 -0.196 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -13.709 -9.643 -1.408 1.00 0.00 O ATOM 0 H GLU A 91 -10.986 -7.592 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.043 -7.515 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.570 -9.362 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.833 -9.694 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.109 -9.143 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.550 -10.757 -2.925 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.667 -7.026 -0.320 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.336 -6.478 0.077 1.00 0.00 C ATOM 1375 C VAL A 92 -6.221 -7.318 -0.557 1.00 0.00 C ATOM 1376 O VAL A 92 -5.228 -6.794 -1.023 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.207 -6.514 1.606 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.767 -6.192 2.022 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.151 -5.474 2.216 1.00 0.00 C ATOM 0 H VAL A 92 -9.273 -7.301 0.453 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.248 -5.449 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.468 -7.511 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.687 -6.220 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.090 -6.928 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.499 -5.198 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.063 -5.496 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.885 -4.482 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.178 -5.703 1.930 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.372 -8.613 -0.582 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.316 -9.473 -1.190 1.00 0.00 C ATOM 1391 C ALA A 93 -5.013 -8.975 -2.603 1.00 0.00 C ATOM 1392 O ALA A 93 -3.876 -8.949 -3.035 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.802 -10.922 -1.251 1.00 0.00 C ATOM 0 H ALA A 93 -7.179 -9.113 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.412 -9.424 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.028 -11.547 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.019 -11.276 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.706 -10.977 -1.858 1.00 0.00 H new ATOM 1399 N GLN A 94 -6.022 -8.575 -3.327 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.795 -8.075 -4.711 1.00 0.00 C ATOM 1401 C GLN A 94 -5.169 -6.684 -4.631 1.00 0.00 C ATOM 1402 O GLN A 94 -4.326 -6.318 -5.425 1.00 0.00 O ATOM 1403 CB GLN A 94 -7.136 -7.983 -5.444 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.725 -9.383 -5.631 1.00 0.00 C ATOM 1405 CD GLN A 94 -9.067 -9.274 -6.359 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.699 -8.237 -6.337 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -9.532 -10.306 -7.008 1.00 0.00 N ATOM 0 H GLN A 94 -6.994 -8.573 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.134 -8.754 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.828 -7.361 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.998 -7.505 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.037 -10.006 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.861 -9.865 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.002 -11.177 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.425 -10.241 -7.496 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.581 -5.910 -3.668 1.00 0.00 N ATOM 1417 CA PHE A 95 -5.028 -4.538 -3.508 1.00 0.00 C ATOM 1418 C PHE A 95 -3.513 -4.603 -3.281 1.00 0.00 C ATOM 1419 O PHE A 95 -2.750 -3.898 -3.911 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.691 -3.885 -2.294 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.150 -2.491 -2.104 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -4.014 -2.291 -1.313 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.781 -1.401 -2.714 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.507 -1.003 -1.131 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.273 -0.110 -2.532 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.136 0.087 -1.739 1.00 0.00 C ATOM 0 H PHE A 95 -6.285 -6.172 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.226 -3.957 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.771 -3.850 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.504 -4.482 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.529 -3.133 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.659 -1.556 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.629 -0.849 -0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.757 0.733 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.744 1.083 -1.597 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.075 -5.430 -2.371 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.613 -5.529 -2.083 1.00 0.00 C ATOM 1438 C VAL A 96 -0.854 -6.019 -3.321 1.00 0.00 C ATOM 1439 O VAL A 96 0.157 -5.461 -3.701 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.387 -6.521 -0.937 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.104 -6.583 -0.598 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.175 -6.079 0.300 1.00 0.00 C ATOM 0 H VAL A 96 -3.668 -6.044 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.244 -4.541 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.731 -7.508 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.263 -7.289 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.663 -6.909 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.450 -5.595 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.009 -6.789 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.840 -5.089 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.238 -6.043 0.061 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.318 -7.070 -3.941 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.606 -7.607 -5.137 1.00 0.00 C ATOM 1454 C LYS A 97 -0.539 -6.553 -6.243 1.00 0.00 C ATOM 1455 O LYS A 97 0.495 -6.344 -6.840 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.339 -8.845 -5.645 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.145 -9.981 -4.640 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.872 -11.232 -5.129 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.672 -12.361 -4.117 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.433 -13.563 -4.556 1.00 0.00 N ATOM 0 H LYS A 97 -2.159 -7.580 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 97 0.413 -7.872 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.400 -8.630 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.955 -9.136 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.083 -10.192 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.528 -9.685 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.935 -11.024 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.489 -11.531 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.612 -12.601 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.010 -12.044 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.297 -14.331 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.445 -13.330 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.090 -13.870 -5.489 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.615 -5.871 -6.517 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.560 -4.836 -7.586 1.00 0.00 C ATOM 1476 C ASP A 98 -0.515 -3.799 -7.189 1.00 0.00 C ATOM 1477 O ASP A 98 0.254 -3.325 -8.002 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.928 -4.160 -7.720 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.935 -5.143 -8.321 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.503 -6.087 -8.962 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -5.122 -4.931 -8.135 1.00 0.00 O ATOM 0 H ASP A 98 -2.518 -5.982 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.298 -5.293 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.274 -3.822 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.847 -3.276 -8.353 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.473 -3.460 -5.935 1.00 0.00 N ATOM 1487 CA LEU A 99 0.527 -2.472 -5.452 1.00 0.00 C ATOM 1488 C LEU A 99 1.944 -3.030 -5.660 1.00 0.00 C ATOM 1489 O LEU A 99 2.855 -2.316 -6.024 1.00 0.00 O ATOM 1490 CB LEU A 99 0.272 -2.189 -3.966 1.00 0.00 C ATOM 1491 CG LEU A 99 1.287 -1.171 -3.430 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.182 0.151 -4.209 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.995 -0.913 -1.947 1.00 0.00 C ATOM 0 H LEU A 99 -1.095 -3.829 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 99 0.436 -1.542 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.740 -1.808 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.342 -3.116 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 99 2.294 -1.570 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.908 0.863 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.386 -0.031 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.178 0.560 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.711 -0.190 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.015 -0.518 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.081 -1.847 -1.391 1.00 0.00 H new ATOM 1505 N LEU A 100 2.134 -4.300 -5.413 1.00 0.00 N ATOM 1506 CA LEU A 100 3.490 -4.916 -5.570 1.00 0.00 C ATOM 1507 C LEU A 100 4.041 -4.680 -6.984 1.00 0.00 C ATOM 1508 O LEU A 100 5.189 -4.319 -7.149 1.00 0.00 O ATOM 1509 CB LEU A 100 3.385 -6.425 -5.294 1.00 0.00 C ATOM 1510 CG LEU A 100 4.693 -7.143 -5.658 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.874 -6.494 -4.931 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.587 -8.611 -5.237 1.00 0.00 C ATOM 0 H LEU A 100 1.404 -4.943 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 100 4.175 -4.452 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.156 -6.591 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.562 -6.847 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 100 4.856 -7.069 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.795 -7.013 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.950 -5.447 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.719 -6.560 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.511 -9.130 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.422 -8.670 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.752 -9.080 -5.758 1.00 0.00 H new ATOM 1524 N LEU A 101 3.260 -4.890 -8.007 1.00 0.00 N ATOM 1525 CA LEU A 101 3.806 -4.681 -9.383 1.00 0.00 C ATOM 1526 C LEU A 101 4.267 -3.226 -9.551 1.00 0.00 C ATOM 1527 O LEU A 101 5.309 -2.964 -10.118 1.00 0.00 O ATOM 1528 CB LEU A 101 2.732 -5.014 -10.434 1.00 0.00 C ATOM 1529 CG LEU A 101 2.628 -6.539 -10.645 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.881 -7.085 -11.356 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.458 -7.235 -9.294 1.00 0.00 C ATOM 0 H LEU A 101 2.287 -5.191 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 101 4.660 -5.343 -9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.768 -4.620 -10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.977 -4.527 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 101 1.761 -6.740 -11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.782 -8.162 -11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.986 -6.604 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.763 -6.876 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.385 -8.312 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.318 -7.016 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.550 -6.874 -8.811 1.00 0.00 H new ATOM 1543 N HIS A 102 3.515 -2.277 -9.070 1.00 0.00 N ATOM 1544 CA HIS A 102 3.940 -0.851 -9.213 1.00 0.00 C ATOM 1545 C HIS A 102 5.153 -0.548 -8.329 1.00 0.00 C ATOM 1546 O HIS A 102 6.039 0.178 -8.720 1.00 0.00 O ATOM 1547 CB HIS A 102 2.782 0.086 -8.844 1.00 0.00 C ATOM 1548 CG HIS A 102 1.847 0.203 -10.013 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.031 1.154 -11.003 1.00 0.00 N ATOM 1550 CD2 HIS A 102 0.737 -0.509 -10.374 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.054 0.990 -11.909 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.233 -0.013 -11.575 1.00 0.00 N ATOM 0 H HIS A 102 2.629 -2.422 -8.586 1.00 0.00 H new ATOM 0 HA HIS A 102 4.221 -0.685 -10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.249 -0.300 -7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.167 1.069 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.315 -1.330 -9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.944 1.593 -12.798 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.584 -0.343 -12.088 1.00 0.00 H new ATOM 1560 N LEU A 103 5.200 -1.067 -7.138 1.00 0.00 N ATOM 1561 CA LEU A 103 6.362 -0.748 -6.258 1.00 0.00 C ATOM 1562 C LEU A 103 7.666 -1.136 -6.965 1.00 0.00 C ATOM 1563 O LEU A 103 8.587 -0.349 -7.052 1.00 0.00 O ATOM 1564 CB LEU A 103 6.243 -1.528 -4.943 1.00 0.00 C ATOM 1565 CG LEU A 103 5.084 -0.977 -4.092 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.830 -1.926 -2.910 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.425 0.430 -3.555 1.00 0.00 C ATOM 0 H LEU A 103 4.498 -1.689 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 103 6.368 0.321 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.077 -2.584 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.177 -1.457 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 103 4.192 -0.906 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.010 -1.541 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.569 -2.915 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.730 -1.996 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.594 0.802 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.322 0.376 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.601 1.106 -4.392 1.00 0.00 H new ATOM 1579 N LYS A 104 7.755 -2.329 -7.480 1.00 0.00 N ATOM 1580 CA LYS A 104 9.005 -2.740 -8.185 1.00 0.00 C ATOM 1581 C LYS A 104 9.177 -1.932 -9.478 1.00 0.00 C ATOM 1582 O LYS A 104 10.274 -1.762 -9.972 1.00 0.00 O ATOM 1583 CB LYS A 104 8.943 -4.235 -8.514 1.00 0.00 C ATOM 1584 CG LYS A 104 7.715 -4.525 -9.386 1.00 0.00 C ATOM 1585 CD LYS A 104 7.643 -6.028 -9.708 1.00 0.00 C ATOM 1586 CE LYS A 104 7.028 -6.813 -8.527 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.789 -8.077 -8.329 1.00 0.00 N ATOM 0 H LYS A 104 7.021 -3.037 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 104 9.857 -2.546 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.851 -4.540 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.893 -4.817 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.809 -4.212 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.770 -3.949 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.044 -6.184 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.642 -6.407 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.058 -6.210 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.980 -7.034 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.378 -8.609 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.738 -8.652 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.783 -7.855 -8.119 1.00 0.00 H new ATOM 1601 N LYS A 105 8.101 -1.452 -10.043 1.00 0.00 N ATOM 1602 CA LYS A 105 8.201 -0.678 -11.318 1.00 0.00 C ATOM 1603 C LYS A 105 9.012 0.608 -11.109 1.00 0.00 C ATOM 1604 O LYS A 105 9.903 0.915 -11.876 1.00 0.00 O ATOM 1605 CB LYS A 105 6.788 -0.328 -11.797 1.00 0.00 C ATOM 1606 CG LYS A 105 6.854 0.436 -13.123 1.00 0.00 C ATOM 1607 CD LYS A 105 5.434 0.757 -13.593 1.00 0.00 C ATOM 1608 CE LYS A 105 5.492 1.465 -14.946 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.060 0.538 -15.966 1.00 0.00 N ATOM 0 H LYS A 105 7.155 -1.562 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 105 8.710 -1.285 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.202 -1.239 -11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.280 0.276 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.425 1.356 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.372 -0.160 -13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.851 -0.160 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.932 1.389 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.494 1.784 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.105 2.363 -14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.701 0.796 -16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.098 0.609 -15.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.778 -0.438 -15.743 1.00 0.00 H new ATOM 1623 N LEU A 106 8.713 1.365 -10.091 1.00 0.00 N ATOM 1624 CA LEU A 106 9.475 2.629 -9.859 1.00 0.00 C ATOM 1625 C LEU A 106 10.958 2.302 -9.641 1.00 0.00 C ATOM 1626 O LEU A 106 11.823 3.109 -9.918 1.00 0.00 O ATOM 1627 CB LEU A 106 8.918 3.362 -8.623 1.00 0.00 C ATOM 1628 CG LEU A 106 7.620 4.134 -8.955 1.00 0.00 C ATOM 1629 CD1 LEU A 106 7.940 5.452 -9.673 1.00 0.00 C ATOM 1630 CD2 LEU A 106 6.693 3.287 -9.836 1.00 0.00 C ATOM 0 H LEU A 106 7.979 1.167 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 106 9.370 3.274 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.720 2.641 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.667 4.056 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 106 7.116 4.353 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.012 5.979 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.564 6.074 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.471 5.241 -10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.786 3.850 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.202 3.039 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.431 2.369 -9.311 1.00 0.00 H new ATOM 1642 N PHE A 107 11.260 1.139 -9.134 1.00 0.00 N ATOM 1643 CA PHE A 107 12.689 0.786 -8.889 1.00 0.00 C ATOM 1644 C PHE A 107 13.475 0.824 -10.202 1.00 0.00 C ATOM 1645 O PHE A 107 14.605 1.268 -10.246 1.00 0.00 O ATOM 1646 CB PHE A 107 12.785 -0.622 -8.303 1.00 0.00 C ATOM 1647 CG PHE A 107 14.237 -0.926 -8.019 1.00 0.00 C ATOM 1648 CD1 PHE A 107 14.841 -0.402 -6.872 1.00 0.00 C ATOM 1649 CD2 PHE A 107 14.980 -1.717 -8.904 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.188 -0.667 -6.607 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.328 -1.984 -8.637 1.00 0.00 C ATOM 1652 CZ PHE A 107 16.932 -1.458 -7.488 1.00 0.00 C ATOM 0 H PHE A 107 10.583 0.420 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 107 13.107 1.510 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.197 -0.692 -7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.375 -1.352 -9.001 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.267 0.208 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.514 -2.120 -9.791 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.654 -0.261 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 107 16.902 -2.596 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.972 -1.663 -7.282 1.00 0.00 H new ATOM 1662 N ARG A 108 12.895 0.349 -11.269 1.00 0.00 N ATOM 1663 CA ARG A 108 13.621 0.345 -12.571 1.00 0.00 C ATOM 1664 C ARG A 108 13.981 1.781 -12.960 1.00 0.00 C ATOM 1665 O ARG A 108 14.997 2.030 -13.580 1.00 0.00 O ATOM 1666 CB ARG A 108 12.734 -0.271 -13.658 1.00 0.00 C ATOM 1667 CG ARG A 108 12.580 -1.774 -13.406 1.00 0.00 C ATOM 1668 CD ARG A 108 11.865 -2.422 -14.596 1.00 0.00 C ATOM 1669 NE ARG A 108 10.531 -1.791 -14.794 1.00 0.00 N ATOM 1670 CZ ARG A 108 9.909 -1.931 -15.934 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.463 -2.611 -16.901 1.00 0.00 N ATOM 1672 NH2 ARG A 108 8.735 -1.388 -16.110 1.00 0.00 N ATOM 0 H ARG A 108 11.951 -0.036 -11.296 1.00 0.00 H new ATOM 0 HA ARG A 108 14.532 -0.246 -12.472 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.756 0.210 -13.659 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.174 -0.100 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.559 -2.232 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.012 -1.944 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.467 -2.310 -15.498 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.748 -3.492 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 108 10.104 -1.251 -14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.382 -3.033 -16.766 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.977 -2.720 -17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.302 -0.854 -15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.251 -1.498 -17.001 1.00 0.00 H new ATOM 1686 N GLU A 109 13.152 2.728 -12.613 1.00 0.00 N ATOM 1687 CA GLU A 109 13.440 4.149 -12.972 1.00 0.00 C ATOM 1688 C GLU A 109 14.315 4.794 -11.893 1.00 0.00 C ATOM 1689 O GLU A 109 14.853 5.867 -12.080 1.00 0.00 O ATOM 1690 CB GLU A 109 12.119 4.913 -13.069 1.00 0.00 C ATOM 1691 CG GLU A 109 11.266 4.320 -14.192 1.00 0.00 C ATOM 1692 CD GLU A 109 11.894 4.661 -15.544 1.00 0.00 C ATOM 1693 OE1 GLU A 109 12.566 5.676 -15.623 1.00 0.00 O ATOM 1694 OE2 GLU A 109 11.692 3.902 -16.477 1.00 0.00 O ATOM 0 H GLU A 109 12.286 2.580 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 109 13.966 4.182 -13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.583 4.855 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.311 5.968 -13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.193 3.239 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.252 4.715 -14.140 1.00 0.00 H new ATOM 1701 N GLY A 110 14.461 4.155 -10.765 1.00 0.00 N ATOM 1702 CA GLY A 110 15.300 4.743 -9.684 1.00 0.00 C ATOM 1703 C GLY A 110 14.672 6.057 -9.213 1.00 0.00 C ATOM 1704 O GLY A 110 15.244 6.780 -8.421 1.00 0.00 O ATOM 0 H GLY A 110 14.037 3.254 -10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.380 4.046 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.312 4.921 -10.049 1.00 0.00 H new ATOM 1708 N ARG A 111 13.488 6.368 -9.684 1.00 0.00 N ATOM 1709 CA ARG A 111 12.813 7.630 -9.250 1.00 0.00 C ATOM 1710 C ARG A 111 11.900 7.311 -8.071 1.00 0.00 C ATOM 1711 O ARG A 111 10.770 6.895 -8.236 1.00 0.00 O ATOM 1712 CB ARG A 111 11.978 8.200 -10.402 1.00 0.00 C ATOM 1713 CG ARG A 111 12.901 8.825 -11.449 1.00 0.00 C ATOM 1714 CD ARG A 111 12.058 9.391 -12.594 1.00 0.00 C ATOM 1715 NE ARG A 111 12.955 9.848 -13.708 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.885 10.745 -13.515 1.00 0.00 C ATOM 1717 NH1 ARG A 111 13.933 11.419 -12.399 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.740 11.008 -14.465 1.00 0.00 N ATOM 0 H ARG A 111 12.961 5.802 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 111 13.562 8.367 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.380 7.410 -10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.282 8.949 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.499 9.616 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.597 8.077 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.367 8.631 -12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.454 10.225 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 111 12.835 9.448 -14.639 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.241 11.247 -11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 111 14.662 12.118 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.681 10.514 -15.355 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.467 11.708 -14.317 1.00 0.00 H new ATOM 1732 N PHE A 112 12.394 7.487 -6.877 1.00 0.00 N ATOM 1733 CA PHE A 112 11.581 7.182 -5.666 1.00 0.00 C ATOM 1734 C PHE A 112 10.841 8.437 -5.207 1.00 0.00 C ATOM 1735 O PHE A 112 11.375 9.529 -5.229 1.00 0.00 O ATOM 1736 CB PHE A 112 12.523 6.701 -4.566 1.00 0.00 C ATOM 1737 CG PHE A 112 13.365 5.582 -5.122 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.859 4.280 -5.155 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.647 5.849 -5.620 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.634 3.243 -5.684 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.423 4.810 -6.148 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.915 3.507 -6.180 1.00 0.00 C ATOM 0 H PHE A 112 13.335 7.832 -6.687 1.00 0.00 H new ATOM 0 HA PHE A 112 10.845 6.411 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.157 7.519 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.954 6.356 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.870 4.075 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.037 6.856 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.243 2.237 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.412 5.014 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.512 2.705 -6.588 1.00 0.00 H new ATOM 1752 N ASN A 113 9.614 8.291 -4.790 1.00 0.00 N ATOM 1753 CA ASN A 113 8.834 9.472 -4.327 1.00 0.00 C ATOM 1754 C ASN A 113 8.966 10.607 -5.347 1.00 0.00 C ATOM 1755 CB ASN A 113 9.371 9.941 -2.972 1.00 0.00 C ATOM 1756 CG ASN A 113 8.505 11.088 -2.446 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.836 12.244 -2.623 1.00 0.00 O ATOM 1758 ND2 ASN A 113 7.403 10.817 -1.802 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.470 11.654 -4.976 1.00 0.00 O ATOM 0 H ASN A 113 9.117 7.401 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 113 7.785 9.194 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.367 9.114 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.405 10.270 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.820 11.575 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.125 9.847 -1.653 1.00 0.00 H new