USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 HIS :FLIP no HD1:sc= 0.0633 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.5 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 145 GLN : amide:sc= -8.6! C(o=-8.6!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.303 K(o=0.3,f=-0.81) USER MOD Single : A 149 TYR OH : rot -103:sc= 0.0306 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.7! C(o=-8.7!,f=-9!) USER MOD Single : A 153 LYS NZ :NH3+ 158:sc= -0.0408 (180deg=-0.361) USER MOD Single : A 158 LYS NZ :NH3+ 143:sc= -3.43! (180deg=-5.91!) USER MOD Single : A 159 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.076) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 156:sc= -0.0171 (180deg=-0.274) USER MOD Single : A 164 LYS NZ :NH3+ 163:sc= -1.14 (180deg=-1.73) USER MOD Single : A 165 SER OG : rot 180:sc= -0.456! USER MOD Single : A 166 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0736) USER MOD Single : A 168 ASN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.816 (180deg=-1.59!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00669 (180deg=-0.0737) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 197 ASN : amide:sc= -0.0754 K(o=-0.075,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.332 -1.916 2.999 1.00 0.00 N ATOM 19 CA ALA A 134 16.460 -2.822 2.260 1.00 0.00 C ATOM 20 C ALA A 134 15.039 -2.273 2.208 1.00 0.00 C ATOM 21 O ALA A 134 14.739 -1.245 2.812 1.00 0.00 O ATOM 22 CB ALA A 134 16.455 -4.200 2.924 1.00 0.00 C ATOM 0 HA ALA A 134 16.839 -2.912 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.801 -4.870 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.467 -4.604 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.093 -4.109 3.948 1.00 0.00 H new ATOM 28 N CYS A 135 14.167 -2.966 1.481 1.00 0.00 N ATOM 29 CA CYS A 135 12.779 -2.535 1.359 1.00 0.00 C ATOM 30 C CYS A 135 12.096 -2.539 2.723 1.00 0.00 C ATOM 31 O CYS A 135 12.487 -3.285 3.622 1.00 0.00 O ATOM 32 CB CYS A 135 12.031 -3.455 0.390 1.00 0.00 C ATOM 33 SG CYS A 135 12.636 -3.159 -1.293 1.00 0.00 S ATOM 0 H CYS A 135 14.394 -3.820 0.972 1.00 0.00 H new ATOM 0 HA CYS A 135 12.762 -1.518 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.185 -4.498 0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.959 -3.266 0.443 1.00 0.00 H new ATOM 38 N GLN A 136 11.075 -1.693 2.874 1.00 0.00 N ATOM 39 CA GLN A 136 10.338 -1.589 4.137 1.00 0.00 C ATOM 40 C GLN A 136 8.864 -1.903 3.916 1.00 0.00 C ATOM 41 O GLN A 136 8.355 -1.772 2.804 1.00 0.00 O ATOM 42 CB GLN A 136 10.477 -0.175 4.704 1.00 0.00 C ATOM 43 CG GLN A 136 11.933 0.072 5.106 1.00 0.00 C ATOM 44 CD GLN A 136 12.096 1.496 5.624 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.395 1.906 6.549 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.987 2.280 5.080 1.00 0.00 N ATOM 0 H GLN A 136 10.739 -1.070 2.139 1.00 0.00 H new ATOM 0 HA GLN A 136 10.753 -2.308 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.164 0.559 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.824 -0.052 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.232 -0.640 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.588 -0.090 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.567 1.938 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.103 3.234 5.421 1.00 0.00 H new ATOM 55 N PHE A 137 8.183 -2.325 4.979 1.00 0.00 N ATOM 56 CA PHE A 137 6.760 -2.666 4.895 1.00 0.00 C ATOM 57 C PHE A 137 5.910 -1.638 5.644 1.00 0.00 C ATOM 58 O PHE A 137 6.265 -1.202 6.739 1.00 0.00 O ATOM 59 CB PHE A 137 6.534 -4.065 5.485 1.00 0.00 C ATOM 60 CG PHE A 137 5.050 -4.347 5.615 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.219 -4.264 4.490 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.504 -4.689 6.862 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.852 -4.522 4.609 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.133 -4.948 6.979 1.00 0.00 C ATOM 65 CZ PHE A 137 2.307 -4.865 5.853 1.00 0.00 C ATOM 0 H PHE A 137 8.590 -2.440 5.907 1.00 0.00 H new ATOM 0 HA PHE A 137 6.459 -2.658 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 137 6.999 -4.816 4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.012 -4.137 6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.636 -4.000 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.142 -4.752 7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.214 -4.457 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.713 -5.212 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.250 -5.065 5.943 1.00 0.00 H new ATOM 75 N SER A 138 4.785 -1.259 5.039 1.00 0.00 N ATOM 76 CA SER A 138 3.879 -0.283 5.643 1.00 0.00 C ATOM 77 C SER A 138 2.435 -0.575 5.237 1.00 0.00 C ATOM 78 O SER A 138 2.151 -0.847 4.070 1.00 0.00 O ATOM 79 CB SER A 138 4.262 1.128 5.195 1.00 0.00 C ATOM 80 OG SER A 138 3.657 2.077 6.063 1.00 0.00 O ATOM 0 H SER A 138 4.479 -1.612 4.132 1.00 0.00 H new ATOM 0 HA SER A 138 3.963 -0.355 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.346 1.245 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.936 1.297 4.169 1.00 0.00 H new ATOM 0 HG SER A 138 3.902 2.983 5.779 1.00 0.00 H new ATOM 86 N HIS A 139 1.524 -0.521 6.211 1.00 0.00 N ATOM 87 CA HIS A 139 0.103 -0.785 5.954 1.00 0.00 C ATOM 88 C HIS A 139 -0.777 0.283 6.600 1.00 0.00 C ATOM 89 O HIS A 139 -0.348 0.995 7.507 1.00 0.00 O ATOM 90 CB HIS A 139 -0.285 -2.161 6.503 1.00 0.00 C ATOM 91 CG HIS A 139 -0.177 -2.153 8.002 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.081 -1.825 8.981 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.984 -2.518 8.663 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.492 -1.983 10.233 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.751 -2.403 9.983 1.00 0.00 N flip ATOM 0 H HIS A 139 1.742 -0.298 7.182 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.053 -0.763 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.303 -2.410 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.367 -2.928 6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.908 -2.837 8.203 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -0.943 -1.804 11.198 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.440 -2.611 10.705 1.00 0.00 H new ATOM 104 N VAL A 140 -2.014 0.383 6.116 1.00 0.00 N ATOM 105 CA VAL A 140 -2.975 1.363 6.632 1.00 0.00 C ATOM 106 C VAL A 140 -4.343 0.704 6.812 1.00 0.00 C ATOM 107 O VAL A 140 -4.970 0.292 5.838 1.00 0.00 O ATOM 108 CB VAL A 140 -3.077 2.538 5.645 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.263 3.438 6.006 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.789 3.361 5.706 1.00 0.00 C ATOM 0 H VAL A 140 -2.377 -0.204 5.365 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.637 1.733 7.600 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.224 2.142 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.321 4.265 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.185 2.859 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.127 3.832 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.857 4.195 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.650 3.744 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.941 2.731 5.437 1.00 0.00 H new ATOM 120 N ASN A 141 -4.799 0.596 8.064 1.00 0.00 N ATOM 121 CA ASN A 141 -6.095 -0.033 8.343 1.00 0.00 C ATOM 122 C ASN A 141 -6.759 0.576 9.582 1.00 0.00 C ATOM 123 O ASN A 141 -6.173 0.593 10.665 1.00 0.00 O ATOM 124 CB ASN A 141 -5.896 -1.541 8.558 1.00 0.00 C ATOM 125 CG ASN A 141 -5.246 -1.810 9.914 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.982 -1.794 10.992 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.042 -2.039 9.993 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.300 0.930 8.889 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.748 0.142 7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.857 -2.052 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.272 -1.948 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.469 -2.051 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.615 -2.217 10.902 1.00 0.00 H new ATOM 134 N SER A 142 -7.997 1.052 9.421 1.00 0.00 N ATOM 135 CA SER A 142 -8.752 1.633 10.537 1.00 0.00 C ATOM 136 C SER A 142 -10.211 1.189 10.464 1.00 0.00 C ATOM 137 O SER A 142 -10.598 0.445 9.564 1.00 0.00 O ATOM 138 CB SER A 142 -8.667 3.164 10.519 1.00 0.00 C ATOM 139 OG SER A 142 -8.930 3.659 11.826 1.00 0.00 O ATOM 0 H SER A 142 -8.497 1.047 8.532 1.00 0.00 H new ATOM 0 HA SER A 142 -8.313 1.279 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.678 3.482 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.387 3.572 9.810 1.00 0.00 H new ATOM 0 HG SER A 142 -8.876 4.637 11.822 1.00 0.00 H new ATOM 145 N ARG A 143 -11.013 1.642 11.420 1.00 0.00 N ATOM 146 CA ARG A 143 -12.426 1.277 11.456 1.00 0.00 C ATOM 147 C ARG A 143 -13.218 2.002 10.368 1.00 0.00 C ATOM 148 O ARG A 143 -14.132 1.430 9.773 1.00 0.00 O ATOM 149 CB ARG A 143 -13.017 1.621 12.830 1.00 0.00 C ATOM 150 CG ARG A 143 -14.389 0.940 13.004 1.00 0.00 C ATOM 151 CD ARG A 143 -14.215 -0.477 13.571 1.00 0.00 C ATOM 152 NE ARG A 143 -14.089 -0.427 15.024 1.00 0.00 N ATOM 153 CZ ARG A 143 -13.980 -1.539 15.743 1.00 0.00 C ATOM 154 NH1 ARG A 143 -13.983 -2.702 15.151 1.00 0.00 N ATOM 155 NH2 ARG A 143 -13.870 -1.467 17.041 1.00 0.00 N ATOM 0 H ARG A 143 -10.713 2.258 12.176 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.499 0.204 11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.338 1.295 13.618 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.124 2.701 12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -15.014 1.532 13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.904 0.894 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -15.069 -1.095 13.294 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.330 -0.944 13.138 1.00 0.00 H new ATOM 0 HE ARG A 143 -14.085 0.477 15.496 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.069 -2.757 14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.899 -3.556 15.703 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -13.868 -0.558 17.503 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.786 -2.320 17.594 1.00 0.00 H new ATOM 169 N ASP A 144 -12.878 3.267 10.123 1.00 0.00 N ATOM 170 CA ASP A 144 -13.583 4.065 9.116 1.00 0.00 C ATOM 171 C ASP A 144 -12.890 3.998 7.756 1.00 0.00 C ATOM 172 O ASP A 144 -13.516 4.220 6.721 1.00 0.00 O ATOM 173 CB ASP A 144 -13.653 5.523 9.572 1.00 0.00 C ATOM 174 CG ASP A 144 -14.495 6.336 8.596 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.709 6.223 8.656 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.916 7.062 7.805 1.00 0.00 O ATOM 0 H ASP A 144 -12.125 3.760 10.603 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.586 3.653 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.084 5.579 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.648 5.942 9.634 1.00 0.00 H new ATOM 181 N GLN A 145 -11.595 3.701 7.763 1.00 0.00 N ATOM 182 CA GLN A 145 -10.834 3.621 6.519 1.00 0.00 C ATOM 183 C GLN A 145 -11.429 2.565 5.582 1.00 0.00 C ATOM 184 O GLN A 145 -10.888 1.470 5.450 1.00 0.00 O ATOM 185 CB GLN A 145 -9.367 3.284 6.843 1.00 0.00 C ATOM 186 CG GLN A 145 -8.576 4.572 7.131 1.00 0.00 C ATOM 187 CD GLN A 145 -7.100 4.248 7.321 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.235 4.962 6.814 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.762 3.209 8.026 1.00 0.00 N ATOM 0 H GLN A 145 -11.053 3.513 8.607 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.883 4.584 6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.321 2.620 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.916 2.751 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.699 5.275 6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.968 5.057 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.482 2.620 8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.777 2.983 8.161 1.00 0.00 H new ATOM 198 N CYS A 146 -12.539 2.916 4.929 1.00 0.00 N ATOM 199 CA CYS A 146 -13.225 2.012 3.994 1.00 0.00 C ATOM 200 C CYS A 146 -13.249 2.631 2.589 1.00 0.00 C ATOM 201 O CYS A 146 -14.027 3.547 2.320 1.00 0.00 O ATOM 202 CB CYS A 146 -14.656 1.774 4.501 1.00 0.00 C ATOM 203 SG CYS A 146 -15.525 0.598 3.435 1.00 0.00 S ATOM 0 H CYS A 146 -12.987 3.827 5.030 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.696 1.061 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.627 1.394 5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.199 2.718 4.528 1.00 0.00 H new ATOM 208 N ASN A 147 -12.373 2.138 1.701 1.00 0.00 N ATOM 209 CA ASN A 147 -12.278 2.659 0.325 1.00 0.00 C ATOM 210 C ASN A 147 -12.193 1.525 -0.703 1.00 0.00 C ATOM 211 O ASN A 147 -11.955 0.371 -0.350 1.00 0.00 O ATOM 212 CB ASN A 147 -11.037 3.548 0.197 1.00 0.00 C ATOM 213 CG ASN A 147 -10.918 4.455 1.418 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.358 5.604 1.384 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.343 4.004 2.498 1.00 0.00 N ATOM 0 H ASN A 147 -11.721 1.381 1.908 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.180 3.236 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.144 2.930 0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.103 4.150 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.257 4.604 3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.980 3.051 2.522 1.00 0.00 H new ATOM 222 N ASP A 148 -12.396 1.871 -1.979 1.00 0.00 N ATOM 223 CA ASP A 148 -12.352 0.885 -3.064 1.00 0.00 C ATOM 224 C ASP A 148 -10.919 0.482 -3.407 1.00 0.00 C ATOM 225 O ASP A 148 -9.962 1.187 -3.086 1.00 0.00 O ATOM 226 CB ASP A 148 -13.054 1.444 -4.308 1.00 0.00 C ATOM 227 CG ASP A 148 -12.620 2.881 -4.570 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.140 3.767 -3.912 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.781 3.075 -5.432 1.00 0.00 O ATOM 0 H ASP A 148 -12.592 2.824 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.873 -0.009 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.820 0.824 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.135 1.404 -4.171 1.00 0.00 H new ATOM 234 N TYR A 149 -10.790 -0.675 -4.058 1.00 0.00 N ATOM 235 CA TYR A 149 -9.484 -1.202 -4.445 1.00 0.00 C ATOM 236 C TYR A 149 -8.633 -0.125 -5.113 1.00 0.00 C ATOM 237 O TYR A 149 -7.540 0.195 -4.645 1.00 0.00 O ATOM 238 CB TYR A 149 -9.674 -2.371 -5.416 1.00 0.00 C ATOM 239 CG TYR A 149 -8.356 -3.075 -5.647 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.965 -4.126 -4.805 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.528 -2.683 -6.708 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.747 -4.781 -5.023 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.312 -3.340 -6.923 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.921 -4.389 -6.084 1.00 0.00 C ATOM 245 OH TYR A 149 -4.720 -5.034 -6.298 1.00 0.00 O ATOM 0 H TYR A 149 -11.577 -1.265 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.970 -1.540 -3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.404 -3.073 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.071 -2.006 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.603 -4.430 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.829 -1.875 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.444 -5.589 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.673 -3.037 -7.739 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.986 -4.477 -5.966 1.00 0.00 H new ATOM 255 N GLN A 150 -9.139 0.425 -6.212 1.00 0.00 N ATOM 256 CA GLN A 150 -8.414 1.461 -6.940 1.00 0.00 C ATOM 257 C GLN A 150 -8.040 2.610 -6.013 1.00 0.00 C ATOM 258 O GLN A 150 -6.891 3.052 -5.987 1.00 0.00 O ATOM 259 CB GLN A 150 -9.269 1.986 -8.094 1.00 0.00 C ATOM 260 CG GLN A 150 -8.529 3.122 -8.810 1.00 0.00 C ATOM 261 CD GLN A 150 -9.094 3.316 -10.208 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.914 4.207 -10.435 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.699 2.527 -11.165 1.00 0.00 N ATOM 0 H GLN A 150 -10.041 0.173 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.499 1.023 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.484 1.180 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.227 2.344 -7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.626 4.046 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.465 2.893 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.020 1.791 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.069 2.645 -12.108 1.00 0.00 H new ATOM 272 N HIS A 151 -9.017 3.091 -5.252 1.00 0.00 N ATOM 273 CA HIS A 151 -8.777 4.190 -4.328 1.00 0.00 C ATOM 274 C HIS A 151 -7.575 3.880 -3.444 1.00 0.00 C ATOM 275 O HIS A 151 -6.683 4.712 -3.282 1.00 0.00 O ATOM 276 CB HIS A 151 -10.023 4.426 -3.453 1.00 0.00 C ATOM 277 CG HIS A 151 -11.018 5.279 -4.196 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.072 5.912 -3.555 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.133 5.613 -5.523 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.767 6.589 -4.487 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.236 6.440 -5.704 1.00 0.00 N ATOM 0 H HIS A 151 -9.975 2.740 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.570 5.092 -4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.477 3.471 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.737 4.914 -2.521 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.468 5.283 -6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.646 7.180 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.569 6.846 -6.579 1.00 0.00 H new ATOM 290 N TRP A 152 -7.556 2.682 -2.869 1.00 0.00 N ATOM 291 CA TRP A 152 -6.450 2.299 -2.003 1.00 0.00 C ATOM 292 C TRP A 152 -5.133 2.333 -2.780 1.00 0.00 C ATOM 293 O TRP A 152 -4.135 2.869 -2.303 1.00 0.00 O ATOM 294 CB TRP A 152 -6.675 0.886 -1.418 1.00 0.00 C ATOM 295 CG TRP A 152 -7.463 0.946 -0.142 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.565 0.201 0.111 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.226 1.748 1.060 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.028 0.498 1.377 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.241 1.448 2.001 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.249 2.703 1.431 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.289 2.067 3.247 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.296 3.321 2.685 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.313 3.010 3.590 1.00 0.00 C ATOM 0 H TRP A 152 -8.280 1.972 -2.984 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.400 3.013 -1.181 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.202 0.268 -2.145 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.713 0.409 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.010 -0.511 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.851 0.069 1.801 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.460 2.957 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.075 1.821 3.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.540 4.044 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.346 3.497 4.554 1.00 0.00 H new ATOM 314 N LYS A 153 -5.138 1.751 -3.971 1.00 0.00 N ATOM 315 CA LYS A 153 -3.936 1.709 -4.803 1.00 0.00 C ATOM 316 C LYS A 153 -3.291 3.089 -4.883 1.00 0.00 C ATOM 317 O LYS A 153 -2.066 3.212 -4.838 1.00 0.00 O ATOM 318 CB LYS A 153 -4.314 1.202 -6.209 1.00 0.00 C ATOM 319 CG LYS A 153 -3.115 0.503 -6.895 1.00 0.00 C ATOM 320 CD LYS A 153 -3.603 -0.471 -7.978 1.00 0.00 C ATOM 321 CE LYS A 153 -4.065 0.306 -9.211 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.879 0.879 -9.911 1.00 0.00 N ATOM 0 H LYS A 153 -5.955 1.302 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.211 1.028 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.150 0.506 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.649 2.039 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.458 1.250 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.528 -0.036 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.801 -1.157 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.423 -1.076 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.615 -0.352 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.747 1.103 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.122 1.074 -10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.594 1.764 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.092 0.200 -9.874 1.00 0.00 H new ATOM 336 N ASP A 154 -4.112 4.120 -4.999 1.00 0.00 N ATOM 337 CA ASP A 154 -3.595 5.478 -5.080 1.00 0.00 C ATOM 338 C ASP A 154 -3.129 5.958 -3.709 1.00 0.00 C ATOM 339 O ASP A 154 -2.024 6.477 -3.569 1.00 0.00 O ATOM 340 CB ASP A 154 -4.676 6.420 -5.613 1.00 0.00 C ATOM 341 CG ASP A 154 -4.989 6.084 -7.067 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.991 4.908 -7.397 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.225 7.006 -7.830 1.00 0.00 O ATOM 0 H ASP A 154 -5.128 4.046 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.744 5.481 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.578 6.331 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.340 7.454 -5.534 1.00 0.00 H new ATOM 348 N GLU A 155 -3.977 5.780 -2.698 1.00 0.00 N ATOM 349 CA GLU A 155 -3.640 6.207 -1.342 1.00 0.00 C ATOM 350 C GLU A 155 -2.341 5.554 -0.867 1.00 0.00 C ATOM 351 O GLU A 155 -1.426 6.242 -0.414 1.00 0.00 O ATOM 352 CB GLU A 155 -4.794 5.867 -0.386 1.00 0.00 C ATOM 353 CG GLU A 155 -4.357 6.066 1.082 1.00 0.00 C ATOM 354 CD GLU A 155 -5.555 6.447 1.948 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.645 5.982 1.657 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.366 7.198 2.890 1.00 0.00 O ATOM 0 H GLU A 155 -4.896 5.346 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.488 7.286 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.654 6.500 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.110 4.835 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.904 5.150 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.597 6.845 1.139 1.00 0.00 H new ATOM 363 N ALA A 156 -2.257 4.230 -0.976 1.00 0.00 N ATOM 364 CA ALA A 156 -1.051 3.525 -0.555 1.00 0.00 C ATOM 365 C ALA A 156 0.156 4.115 -1.269 1.00 0.00 C ATOM 366 O ALA A 156 1.254 4.173 -0.716 1.00 0.00 O ATOM 367 CB ALA A 156 -1.165 2.029 -0.877 1.00 0.00 C ATOM 0 H ALA A 156 -2.997 3.633 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.931 3.641 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.257 1.518 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.023 1.608 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.296 1.897 -1.951 1.00 0.00 H new ATOM 373 N GLY A 157 -0.063 4.565 -2.500 1.00 0.00 N ATOM 374 CA GLY A 157 1.007 5.166 -3.285 1.00 0.00 C ATOM 375 C GLY A 157 1.484 6.465 -2.642 1.00 0.00 C ATOM 376 O GLY A 157 2.684 6.683 -2.478 1.00 0.00 O ATOM 0 H GLY A 157 -0.966 4.525 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.840 4.468 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.655 5.364 -4.298 1.00 0.00 H new ATOM 380 N LYS A 158 0.537 7.330 -2.280 1.00 0.00 N ATOM 381 CA LYS A 158 0.879 8.604 -1.659 1.00 0.00 C ATOM 382 C LYS A 158 1.498 8.389 -0.281 1.00 0.00 C ATOM 383 O LYS A 158 2.413 9.110 0.111 1.00 0.00 O ATOM 384 CB LYS A 158 -0.365 9.489 -1.518 1.00 0.00 C ATOM 385 CG LYS A 158 -1.154 9.513 -2.840 1.00 0.00 C ATOM 386 CD LYS A 158 -1.961 10.811 -2.949 1.00 0.00 C ATOM 387 CE LYS A 158 -2.996 10.863 -1.825 1.00 0.00 C ATOM 388 NZ LYS A 158 -2.319 11.199 -0.540 1.00 0.00 N ATOM 0 H LYS A 158 -0.463 7.172 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 158 1.605 9.100 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.999 9.113 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.070 10.502 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.468 9.430 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.824 8.654 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.296 11.672 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.458 10.863 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.758 11.608 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -3.505 9.903 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -2.935 11.817 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -2.126 10.325 -0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -1.423 11.690 -0.737 1.00 0.00 H new ATOM 402 N GLN A 159 0.990 7.402 0.451 1.00 0.00 N ATOM 403 CA GLN A 159 1.508 7.123 1.788 1.00 0.00 C ATOM 404 C GLN A 159 3.007 6.823 1.729 1.00 0.00 C ATOM 405 O GLN A 159 3.776 7.274 2.577 1.00 0.00 O ATOM 406 CB GLN A 159 0.749 5.932 2.417 1.00 0.00 C ATOM 407 CG GLN A 159 0.613 6.135 3.934 1.00 0.00 C ATOM 408 CD GLN A 159 -0.496 7.138 4.231 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.236 8.208 4.783 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.725 6.855 3.895 1.00 0.00 N ATOM 0 H GLN A 159 0.232 6.790 0.148 1.00 0.00 H new ATOM 0 HA GLN A 159 1.355 8.005 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.238 5.840 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.281 5.003 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.392 5.183 4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.557 6.491 4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.937 5.968 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.473 7.521 4.089 1.00 0.00 H new ATOM 419 N CYS A 160 3.409 6.050 0.728 1.00 0.00 N ATOM 420 CA CYS A 160 4.813 5.690 0.568 1.00 0.00 C ATOM 421 C CYS A 160 5.616 6.853 -0.005 1.00 0.00 C ATOM 422 O CYS A 160 6.724 7.140 0.452 1.00 0.00 O ATOM 423 CB CYS A 160 4.927 4.487 -0.363 1.00 0.00 C ATOM 424 SG CYS A 160 6.580 3.769 -0.222 1.00 0.00 S ATOM 0 H CYS A 160 2.787 5.662 0.018 1.00 0.00 H new ATOM 0 HA CYS A 160 5.218 5.443 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.173 3.743 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.738 4.791 -1.392 1.00 0.00 H new ATOM 429 N LYS A 161 5.059 7.509 -1.016 1.00 0.00 N ATOM 430 CA LYS A 161 5.737 8.630 -1.658 1.00 0.00 C ATOM 431 C LYS A 161 5.976 9.765 -0.666 1.00 0.00 C ATOM 432 O LYS A 161 7.095 10.260 -0.536 1.00 0.00 O ATOM 433 CB LYS A 161 4.898 9.145 -2.833 1.00 0.00 C ATOM 434 CG LYS A 161 4.818 8.078 -3.940 1.00 0.00 C ATOM 435 CD LYS A 161 6.050 8.160 -4.854 1.00 0.00 C ATOM 436 CE LYS A 161 5.866 7.212 -6.038 1.00 0.00 C ATOM 437 NZ LYS A 161 7.042 7.317 -6.947 1.00 0.00 N ATOM 0 H LYS A 161 4.144 7.286 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 161 6.702 8.279 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.895 9.398 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.339 10.059 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.754 7.086 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.911 8.222 -4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.186 9.181 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.948 7.894 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 161 5.758 6.187 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.952 7.461 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.917 6.672 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.126 8.293 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 7.906 7.059 -6.428 1.00 0.00 H new ATOM 451 N THR A 162 4.920 10.176 0.026 1.00 0.00 N ATOM 452 CA THR A 162 5.037 11.260 0.997 1.00 0.00 C ATOM 453 C THR A 162 6.002 10.873 2.115 1.00 0.00 C ATOM 454 O THR A 162 6.667 11.730 2.697 1.00 0.00 O ATOM 455 CB THR A 162 3.659 11.604 1.581 1.00 0.00 C ATOM 456 OG1 THR A 162 3.734 12.852 2.254 1.00 0.00 O ATOM 457 CG2 THR A 162 3.214 10.519 2.565 1.00 0.00 C ATOM 0 H THR A 162 3.984 9.782 -0.064 1.00 0.00 H new ATOM 0 HA THR A 162 5.430 12.139 0.487 1.00 0.00 H new ATOM 0 HB THR A 162 2.933 11.663 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.856 13.076 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.236 10.776 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.152 9.562 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.937 10.446 3.378 1.00 0.00 H new ATOM 465 N LYS A 163 6.076 9.577 2.405 1.00 0.00 N ATOM 466 CA LYS A 163 6.968 9.093 3.452 1.00 0.00 C ATOM 467 C LYS A 163 8.408 9.067 2.947 1.00 0.00 C ATOM 468 O LYS A 163 8.654 8.945 1.747 1.00 0.00 O ATOM 469 CB LYS A 163 6.545 7.685 3.894 1.00 0.00 C ATOM 470 CG LYS A 163 5.352 7.778 4.863 1.00 0.00 C ATOM 471 CD LYS A 163 5.815 8.293 6.260 1.00 0.00 C ATOM 472 CE LYS A 163 5.084 9.594 6.622 1.00 0.00 C ATOM 473 NZ LYS A 163 3.622 9.326 6.735 1.00 0.00 N ATOM 0 H LYS A 163 5.535 8.851 1.935 1.00 0.00 H new ATOM 0 HA LYS A 163 6.905 9.768 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.273 7.087 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.380 7.180 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.597 8.449 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.885 6.799 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.617 7.535 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.892 8.463 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.466 9.989 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.268 10.352 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.184 10.042 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.188 9.367 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.473 8.382 7.144 1.00 0.00 H new ATOM 487 N LYS A 164 9.354 9.184 3.875 1.00 0.00 N ATOM 488 CA LYS A 164 10.773 9.180 3.523 1.00 0.00 C ATOM 489 C LYS A 164 11.587 8.457 4.590 1.00 0.00 C ATOM 490 O LYS A 164 11.100 8.203 5.693 1.00 0.00 O ATOM 491 CB LYS A 164 11.283 10.620 3.388 1.00 0.00 C ATOM 492 CG LYS A 164 10.828 11.463 4.603 1.00 0.00 C ATOM 493 CD LYS A 164 9.470 12.145 4.322 1.00 0.00 C ATOM 494 CE LYS A 164 9.682 13.526 3.684 1.00 0.00 C ATOM 495 NZ LYS A 164 10.314 13.368 2.343 1.00 0.00 N ATOM 0 H LYS A 164 9.166 9.282 4.873 1.00 0.00 H new ATOM 0 HA LYS A 164 10.889 8.659 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.371 10.624 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.905 11.063 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.744 10.825 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.580 12.219 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 164 8.873 11.519 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.910 12.250 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.727 14.043 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.315 14.140 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 10.197 14.246 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 11.327 13.165 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.859 12.583 1.835 1.00 0.00 H new ATOM 509 N SER A 165 12.832 8.133 4.257 1.00 0.00 N ATOM 510 CA SER A 165 13.711 7.444 5.193 1.00 0.00 C ATOM 511 C SER A 165 14.292 8.436 6.198 1.00 0.00 C ATOM 512 O SER A 165 13.925 9.610 6.205 1.00 0.00 O ATOM 513 CB SER A 165 14.844 6.755 4.433 1.00 0.00 C ATOM 514 OG SER A 165 15.864 6.374 5.347 1.00 0.00 O ATOM 0 H SER A 165 13.253 8.336 3.350 1.00 0.00 H new ATOM 0 HA SER A 165 13.132 6.694 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.464 5.878 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.251 7.427 3.677 1.00 0.00 H new ATOM 0 HG SER A 165 16.590 5.931 4.861 1.00 0.00 H new ATOM 520 N LYS A 166 15.197 7.957 7.046 1.00 0.00 N ATOM 521 CA LYS A 166 15.816 8.815 8.047 1.00 0.00 C ATOM 522 C LYS A 166 16.607 9.936 7.379 1.00 0.00 C ATOM 523 O LYS A 166 16.716 11.038 7.919 1.00 0.00 O ATOM 524 CB LYS A 166 16.750 7.989 8.938 1.00 0.00 C ATOM 525 CG LYS A 166 15.955 6.880 9.649 1.00 0.00 C ATOM 526 CD LYS A 166 15.263 7.434 10.900 1.00 0.00 C ATOM 527 CE LYS A 166 14.659 6.279 11.702 1.00 0.00 C ATOM 528 NZ LYS A 166 15.735 5.591 12.471 1.00 0.00 N ATOM 0 H LYS A 166 15.515 6.988 7.060 1.00 0.00 H new ATOM 0 HA LYS A 166 15.028 9.256 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.545 7.549 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.228 8.635 9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.212 6.464 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.624 6.066 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.979 7.981 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.483 8.140 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.895 6.655 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 166 14.169 5.573 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.617 4.561 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 16.663 5.865 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.677 5.867 13.472 1.00 0.00 H new ATOM 542 N GLY A 167 17.158 9.647 6.202 1.00 0.00 N ATOM 543 CA GLY A 167 17.942 10.634 5.463 1.00 0.00 C ATOM 544 C GLY A 167 17.065 11.411 4.485 1.00 0.00 C ATOM 545 O GLY A 167 17.518 11.802 3.409 1.00 0.00 O ATOM 0 H GLY A 167 17.077 8.741 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.414 11.325 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.743 10.134 4.919 1.00 0.00 H new ATOM 549 N ASN A 168 15.810 11.631 4.864 1.00 0.00 N ATOM 550 CA ASN A 168 14.882 12.364 4.010 1.00 0.00 C ATOM 551 C ASN A 168 14.968 11.861 2.570 1.00 0.00 C ATOM 552 O ASN A 168 14.954 12.650 1.625 1.00 0.00 O ATOM 553 CB ASN A 168 15.203 13.858 4.050 1.00 0.00 C ATOM 554 CG ASN A 168 15.147 14.365 5.486 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.081 15.019 5.953 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.102 14.101 6.222 1.00 0.00 N ATOM 0 H ASN A 168 15.414 11.315 5.750 1.00 0.00 H new ATOM 0 HA ASN A 168 13.870 12.201 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.193 14.037 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.492 14.408 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.058 14.436 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.329 13.560 5.835 1.00 0.00 H new ATOM 563 N LYS A 169 15.060 10.543 2.415 1.00 0.00 N ATOM 564 CA LYS A 169 15.153 9.933 1.087 1.00 0.00 C ATOM 565 C LYS A 169 13.749 9.684 0.525 1.00 0.00 C ATOM 566 O LYS A 169 12.758 10.180 1.065 1.00 0.00 O ATOM 567 CB LYS A 169 15.946 8.607 1.188 1.00 0.00 C ATOM 568 CG LYS A 169 16.923 8.468 0.006 1.00 0.00 C ATOM 569 CD LYS A 169 17.366 7.007 -0.128 1.00 0.00 C ATOM 570 CE LYS A 169 18.147 6.593 1.119 1.00 0.00 C ATOM 571 NZ LYS A 169 18.861 5.311 0.856 1.00 0.00 N ATOM 0 H LYS A 169 15.072 9.877 3.188 1.00 0.00 H new ATOM 0 HA LYS A 169 15.676 10.607 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.497 8.577 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.255 7.764 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.444 8.799 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.791 9.109 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.496 6.363 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 169 17.986 6.884 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.862 7.371 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.468 6.477 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 19.392 5.029 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.170 4.571 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.520 5.437 0.061 1.00 0.00 H new ATOM 585 N ASP A 170 13.670 8.916 -0.561 1.00 0.00 N ATOM 586 CA ASP A 170 12.386 8.603 -1.197 1.00 0.00 C ATOM 587 C ASP A 170 12.236 7.096 -1.372 1.00 0.00 C ATOM 588 O ASP A 170 13.228 6.367 -1.411 1.00 0.00 O ATOM 589 CB ASP A 170 12.302 9.287 -2.561 1.00 0.00 C ATOM 590 CG ASP A 170 10.865 9.262 -3.073 1.00 0.00 C ATOM 591 OD1 ASP A 170 9.968 9.431 -2.264 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.684 9.071 -4.264 1.00 0.00 O ATOM 0 H ASP A 170 14.479 8.498 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 170 11.582 8.968 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.650 10.317 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.958 8.782 -3.270 1.00 0.00 H new ATOM 597 N MET A 171 10.991 6.632 -1.476 1.00 0.00 N ATOM 598 CA MET A 171 10.724 5.205 -1.645 1.00 0.00 C ATOM 599 C MET A 171 9.458 4.985 -2.468 1.00 0.00 C ATOM 600 O MET A 171 8.451 5.667 -2.271 1.00 0.00 O ATOM 601 CB MET A 171 10.552 4.536 -0.277 1.00 0.00 C ATOM 602 CG MET A 171 11.777 4.819 0.595 1.00 0.00 C ATOM 603 SD MET A 171 11.711 3.792 2.088 1.00 0.00 S ATOM 604 CE MET A 171 11.921 2.177 1.292 1.00 0.00 C ATOM 0 H MET A 171 10.157 7.219 -1.446 1.00 0.00 H new ATOM 0 HA MET A 171 11.572 4.763 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.652 4.911 0.211 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.423 3.461 -0.401 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.690 4.609 0.037 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.806 5.874 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.226 1.441 2.036 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.978 1.868 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.686 2.249 0.518 1.00 0.00 H new ATOM 614 N ILE A 172 9.512 4.015 -3.378 1.00 0.00 N ATOM 615 CA ILE A 172 8.363 3.690 -4.220 1.00 0.00 C ATOM 616 C ILE A 172 7.534 2.601 -3.556 1.00 0.00 C ATOM 617 O ILE A 172 7.795 2.234 -2.413 1.00 0.00 O ATOM 618 CB ILE A 172 8.835 3.216 -5.605 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.640 1.909 -5.488 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.725 4.291 -6.230 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.925 1.362 -6.889 1.00 0.00 C ATOM 0 H ILE A 172 10.337 3.441 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 172 7.752 4.584 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 172 7.959 3.038 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.576 2.091 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.082 1.176 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.062 3.959 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.159 5.217 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.590 4.465 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.495 0.436 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.983 1.165 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.500 2.094 -7.456 1.00 0.00 H new ATOM 633 N VAL A 173 6.555 2.066 -4.284 1.00 0.00 N ATOM 634 CA VAL A 173 5.708 0.989 -3.765 1.00 0.00 C ATOM 635 C VAL A 173 5.964 -0.284 -4.563 1.00 0.00 C ATOM 636 O VAL A 173 5.586 -0.389 -5.731 1.00 0.00 O ATOM 637 CB VAL A 173 4.227 1.384 -3.843 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.349 0.166 -3.528 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.933 2.500 -2.829 1.00 0.00 C ATOM 0 H VAL A 173 6.328 2.359 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 173 5.955 0.812 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 173 4.006 1.741 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.298 0.451 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.550 -0.624 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.574 -0.195 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.880 2.777 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.159 2.146 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.550 3.369 -3.056 1.00 0.00 H new ATOM 649 N ARG A 174 6.627 -1.239 -3.924 1.00 0.00 N ATOM 650 CA ARG A 174 6.960 -2.502 -4.568 1.00 0.00 C ATOM 651 C ARG A 174 5.725 -3.401 -4.678 1.00 0.00 C ATOM 652 O ARG A 174 5.358 -3.830 -5.772 1.00 0.00 O ATOM 653 CB ARG A 174 8.092 -3.188 -3.767 1.00 0.00 C ATOM 654 CG ARG A 174 8.005 -4.719 -3.867 1.00 0.00 C ATOM 655 CD ARG A 174 9.340 -5.337 -3.445 1.00 0.00 C ATOM 656 NE ARG A 174 10.372 -5.029 -4.430 1.00 0.00 N ATOM 657 CZ ARG A 174 11.626 -5.433 -4.258 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.952 -6.119 -3.197 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.533 -5.144 -5.151 1.00 0.00 N ATOM 0 H ARG A 174 6.945 -1.162 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 174 7.307 -2.315 -5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.059 -2.852 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.033 -2.887 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.203 -5.090 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.763 -5.014 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.634 -4.954 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.233 -6.417 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 174 10.127 -4.495 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.244 -6.346 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.915 -6.429 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.279 -4.608 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.496 -5.454 -5.019 1.00 0.00 H new ATOM 673 N SER A 175 5.094 -3.693 -3.540 1.00 0.00 N ATOM 674 CA SER A 175 3.903 -4.555 -3.519 1.00 0.00 C ATOM 675 C SER A 175 2.678 -3.777 -3.054 1.00 0.00 C ATOM 676 O SER A 175 2.796 -2.681 -2.509 1.00 0.00 O ATOM 677 CB SER A 175 4.141 -5.741 -2.582 1.00 0.00 C ATOM 678 OG SER A 175 3.212 -6.772 -2.888 1.00 0.00 O ATOM 0 H SER A 175 5.383 -3.350 -2.624 1.00 0.00 H new ATOM 0 HA SER A 175 3.722 -4.916 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.161 -6.109 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.027 -5.428 -1.544 1.00 0.00 H new ATOM 0 HG SER A 175 3.362 -7.535 -2.291 1.00 0.00 H new ATOM 684 N PHE A 176 1.499 -4.357 -3.271 1.00 0.00 N ATOM 685 CA PHE A 176 0.260 -3.708 -2.865 1.00 0.00 C ATOM 686 C PHE A 176 -0.919 -4.681 -2.965 1.00 0.00 C ATOM 687 O PHE A 176 -1.095 -5.366 -3.973 1.00 0.00 O ATOM 688 CB PHE A 176 0.031 -2.455 -3.734 1.00 0.00 C ATOM 689 CG PHE A 176 -1.433 -2.058 -3.747 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.951 -1.272 -2.717 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.271 -2.483 -4.786 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.297 -0.914 -2.715 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.623 -2.120 -4.786 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.135 -1.334 -3.748 1.00 0.00 C ATOM 0 H PHE A 176 1.378 -5.265 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 176 0.337 -3.400 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.631 -1.629 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.367 -2.649 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.305 -0.940 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.874 -3.090 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.693 -0.310 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.270 -2.446 -5.587 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.178 -1.053 -3.747 1.00 0.00 H new ATOM 704 N ALA A 177 -1.719 -4.723 -1.904 1.00 0.00 N ATOM 705 CA ALA A 177 -2.888 -5.600 -1.849 1.00 0.00 C ATOM 706 C ALA A 177 -3.771 -5.194 -0.674 1.00 0.00 C ATOM 707 O ALA A 177 -3.262 -4.837 0.380 1.00 0.00 O ATOM 708 CB ALA A 177 -2.446 -7.054 -1.675 1.00 0.00 C ATOM 0 H ALA A 177 -1.580 -4.158 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.448 -5.507 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.324 -7.699 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.819 -7.347 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.880 -7.154 -0.749 1.00 0.00 H new ATOM 714 N VAL A 178 -5.090 -5.241 -0.854 1.00 0.00 N ATOM 715 CA VAL A 178 -5.996 -4.846 0.225 1.00 0.00 C ATOM 716 C VAL A 178 -5.934 -5.838 1.383 1.00 0.00 C ATOM 717 O VAL A 178 -5.401 -6.938 1.242 1.00 0.00 O ATOM 718 CB VAL A 178 -7.435 -4.718 -0.291 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.522 -3.533 -1.259 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.857 -6.008 -1.008 1.00 0.00 C ATOM 0 H VAL A 178 -5.548 -5.541 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.672 -3.872 0.592 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.106 -4.551 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.543 -3.439 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.238 -2.618 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.847 -3.699 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.880 -5.905 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.191 -6.190 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.800 -6.846 -0.313 1.00 0.00 H new ATOM 730 N LEU A 179 -6.454 -5.423 2.546 1.00 0.00 N ATOM 731 CA LEU A 179 -6.421 -6.265 3.747 1.00 0.00 C ATOM 732 C LEU A 179 -7.817 -6.723 4.168 1.00 0.00 C ATOM 733 O LEU A 179 -8.349 -7.701 3.646 1.00 0.00 O ATOM 734 CB LEU A 179 -5.790 -5.480 4.913 1.00 0.00 C ATOM 735 CG LEU A 179 -4.262 -5.369 4.746 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.677 -4.460 5.868 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.617 -6.783 4.791 1.00 0.00 C ATOM 0 H LEU A 179 -6.900 -4.515 2.679 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.828 -7.148 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.227 -4.483 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.021 -5.976 5.856 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.035 -4.920 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.596 -4.383 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.121 -3.467 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.904 -4.893 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.537 -6.694 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.839 -7.254 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.022 -7.393 3.984 1.00 0.00 H new ATOM 749 N GLU A 180 -8.378 -6.024 5.152 1.00 0.00 N ATOM 750 CA GLU A 180 -9.689 -6.378 5.689 1.00 0.00 C ATOM 751 C GLU A 180 -10.813 -6.039 4.704 1.00 0.00 C ATOM 752 O GLU A 180 -10.727 -5.045 3.983 1.00 0.00 O ATOM 753 CB GLU A 180 -9.924 -5.629 7.001 1.00 0.00 C ATOM 754 CG GLU A 180 -9.019 -6.205 8.092 1.00 0.00 C ATOM 755 CD GLU A 180 -9.022 -5.288 9.310 1.00 0.00 C ATOM 756 OE1 GLU A 180 -8.202 -4.385 9.349 1.00 0.00 O ATOM 757 OE2 GLU A 180 -9.842 -5.504 10.187 1.00 0.00 O ATOM 0 H GLU A 180 -7.946 -5.211 5.592 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.701 -7.454 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.718 -4.567 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.969 -5.716 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.364 -7.200 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.003 -6.316 7.712 1.00 0.00 H new ATOM 764 N PRO A 181 -11.869 -6.830 4.664 1.00 0.00 N ATOM 765 CA PRO A 181 -13.024 -6.579 3.752 1.00 0.00 C ATOM 766 C PRO A 181 -13.982 -5.508 4.287 1.00 0.00 C ATOM 767 O PRO A 181 -14.185 -5.375 5.494 1.00 0.00 O ATOM 768 CB PRO A 181 -13.716 -7.943 3.701 1.00 0.00 C ATOM 769 CG PRO A 181 -13.492 -8.508 5.063 1.00 0.00 C ATOM 770 CD PRO A 181 -12.086 -8.053 5.469 1.00 0.00 C ATOM 0 HA PRO A 181 -12.706 -6.201 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.779 -7.844 3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.287 -8.581 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.241 -8.144 5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.565 -9.596 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.025 -7.846 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.339 -8.815 5.249 1.00 0.00 H new ATOM 778 N CYS A 182 -14.568 -4.765 3.358 1.00 0.00 N ATOM 779 CA CYS A 182 -15.528 -3.699 3.667 1.00 0.00 C ATOM 780 C CYS A 182 -16.721 -3.843 2.724 1.00 0.00 C ATOM 781 O CYS A 182 -16.847 -4.861 2.045 1.00 0.00 O ATOM 782 CB CYS A 182 -14.873 -2.325 3.508 1.00 0.00 C ATOM 783 SG CYS A 182 -15.688 -1.089 4.544 1.00 0.00 S ATOM 0 H CYS A 182 -14.393 -4.881 2.360 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.862 -3.785 4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.818 -2.389 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.919 -2.016 2.464 1.00 0.00 H new ATOM 788 N ALA A 183 -17.602 -2.844 2.705 1.00 0.00 N ATOM 789 CA ALA A 183 -18.793 -2.881 1.849 1.00 0.00 C ATOM 790 C ALA A 183 -18.516 -3.586 0.513 1.00 0.00 C ATOM 791 O ALA A 183 -17.364 -3.747 0.113 1.00 0.00 O ATOM 792 CB ALA A 183 -19.276 -1.456 1.576 1.00 0.00 C ATOM 0 H ALA A 183 -17.516 -1.999 3.270 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.561 -3.446 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.161 -1.487 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.524 -0.969 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.488 -0.895 1.074 1.00 0.00 H new ATOM 798 N LEU A 184 -19.598 -4.010 -0.149 1.00 0.00 N ATOM 799 CA LEU A 184 -19.538 -4.730 -1.435 1.00 0.00 C ATOM 800 C LEU A 184 -18.173 -4.625 -2.127 1.00 0.00 C ATOM 801 O LEU A 184 -17.463 -5.623 -2.255 1.00 0.00 O ATOM 802 CB LEU A 184 -20.636 -4.182 -2.367 1.00 0.00 C ATOM 803 CG LEU A 184 -21.100 -5.250 -3.380 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.893 -5.801 -4.151 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.833 -6.405 -2.660 1.00 0.00 C ATOM 0 H LEU A 184 -20.549 -3.864 0.191 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.696 -5.787 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.487 -3.848 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.259 -3.310 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.792 -4.782 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.229 -6.554 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.402 -4.989 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.189 -6.252 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.151 -7.147 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.159 -6.871 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.706 -6.013 -2.138 1.00 0.00 H new ATOM 817 N ASP A 185 -17.811 -3.423 -2.576 1.00 0.00 N ATOM 818 CA ASP A 185 -16.528 -3.212 -3.261 1.00 0.00 C ATOM 819 C ASP A 185 -15.673 -2.209 -2.497 1.00 0.00 C ATOM 820 O ASP A 185 -15.442 -1.096 -2.965 1.00 0.00 O ATOM 821 CB ASP A 185 -16.778 -2.687 -4.676 1.00 0.00 C ATOM 822 CG ASP A 185 -17.619 -1.416 -4.621 1.00 0.00 C ATOM 823 OD1 ASP A 185 -17.725 -0.846 -3.548 1.00 0.00 O ATOM 824 OD2 ASP A 185 -18.145 -1.031 -5.653 1.00 0.00 O ATOM 0 H ASP A 185 -18.382 -2.583 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.000 -4.165 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.828 -2.483 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.289 -3.445 -5.269 1.00 0.00 H new ATOM 829 N MET A 186 -15.213 -2.613 -1.316 1.00 0.00 N ATOM 830 CA MET A 186 -14.397 -1.739 -0.482 1.00 0.00 C ATOM 831 C MET A 186 -13.582 -2.548 0.526 1.00 0.00 C ATOM 832 O MET A 186 -13.885 -3.711 0.791 1.00 0.00 O ATOM 833 CB MET A 186 -15.293 -0.731 0.254 1.00 0.00 C ATOM 834 CG MET A 186 -15.832 0.325 -0.716 1.00 0.00 C ATOM 835 SD MET A 186 -16.367 1.778 0.225 1.00 0.00 S ATOM 836 CE MET A 186 -15.989 3.023 -1.032 1.00 0.00 C ATOM 0 H MET A 186 -15.391 -3.535 -0.918 1.00 0.00 H new ATOM 0 HA MET A 186 -13.703 -1.200 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.124 -1.254 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.726 -0.246 1.049 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.061 0.605 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.667 -0.081 -1.288 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.129 4.019 -0.611 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.955 2.909 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.655 2.893 -1.885 1.00 0.00 H new ATOM 846 N PHE A 187 -12.545 -1.920 1.091 1.00 0.00 N ATOM 847 CA PHE A 187 -11.681 -2.578 2.081 1.00 0.00 C ATOM 848 C PHE A 187 -11.429 -1.662 3.281 1.00 0.00 C ATOM 849 O PHE A 187 -11.131 -0.480 3.121 1.00 0.00 O ATOM 850 CB PHE A 187 -10.362 -2.955 1.416 1.00 0.00 C ATOM 851 CG PHE A 187 -10.674 -3.890 0.279 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.786 -5.263 0.518 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.885 -3.382 -1.008 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.102 -6.132 -0.530 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.206 -4.249 -2.057 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.314 -5.626 -1.819 1.00 0.00 C ATOM 0 H PHE A 187 -12.283 -0.957 0.881 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.178 -3.476 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.850 -2.065 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.695 -3.434 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.628 -5.652 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.800 -2.321 -1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.183 -7.193 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.371 -3.858 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.561 -6.297 -2.629 1.00 0.00 H new ATOM 866 N THR A 188 -11.578 -2.220 4.486 1.00 0.00 N ATOM 867 CA THR A 188 -11.393 -1.443 5.714 1.00 0.00 C ATOM 868 C THR A 188 -9.931 -1.039 5.898 1.00 0.00 C ATOM 869 O THR A 188 -9.623 -0.132 6.672 1.00 0.00 O ATOM 870 CB THR A 188 -11.865 -2.238 6.960 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.738 -2.669 7.712 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.684 -3.464 6.546 1.00 0.00 C ATOM 0 H THR A 188 -11.824 -3.198 4.637 1.00 0.00 H new ATOM 0 HA THR A 188 -12.001 -0.544 5.616 1.00 0.00 H new ATOM 0 HB THR A 188 -12.490 -1.581 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.041 -3.169 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.004 -4.005 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.560 -3.143 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.072 -4.117 5.924 1.00 0.00 H new ATOM 880 N GLY A 189 -9.032 -1.723 5.199 1.00 0.00 N ATOM 881 CA GLY A 189 -7.610 -1.427 5.315 1.00 0.00 C ATOM 882 C GLY A 189 -6.830 -2.031 4.160 1.00 0.00 C ATOM 883 O GLY A 189 -7.328 -2.911 3.459 1.00 0.00 O ATOM 0 H GLY A 189 -9.260 -2.479 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.460 -0.347 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.230 -1.818 6.259 1.00 0.00 H new ATOM 887 N VAL A 190 -5.602 -1.552 3.958 1.00 0.00 N ATOM 888 CA VAL A 190 -4.767 -2.060 2.869 1.00 0.00 C ATOM 889 C VAL A 190 -3.296 -2.149 3.269 1.00 0.00 C ATOM 890 O VAL A 190 -2.784 -1.303 4.003 1.00 0.00 O ATOM 891 CB VAL A 190 -4.922 -1.152 1.634 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.482 0.277 1.984 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.075 -1.685 0.448 1.00 0.00 C ATOM 0 H VAL A 190 -5.168 -0.824 4.525 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.103 -3.070 2.634 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.970 -1.149 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.593 0.917 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.102 0.660 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.438 0.270 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.200 -1.028 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.024 -1.711 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.405 -2.691 0.188 1.00 0.00 H new ATOM 903 N GLU A 191 -2.618 -3.184 2.766 1.00 0.00 N ATOM 904 CA GLU A 191 -1.196 -3.394 3.047 1.00 0.00 C ATOM 905 C GLU A 191 -0.375 -3.184 1.778 1.00 0.00 C ATOM 906 O GLU A 191 -0.784 -3.588 0.691 1.00 0.00 O ATOM 907 CB GLU A 191 -0.973 -4.812 3.595 1.00 0.00 C ATOM 908 CG GLU A 191 -1.212 -5.880 2.517 1.00 0.00 C ATOM 909 CD GLU A 191 -0.930 -7.263 3.095 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.066 -7.362 3.950 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.583 -8.203 2.672 1.00 0.00 O ATOM 0 H GLU A 191 -3.033 -3.892 2.160 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.872 -2.672 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.045 -4.900 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.644 -4.987 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.240 -5.827 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.567 -5.695 1.658 1.00 0.00 H new ATOM 918 N PHE A 192 0.788 -2.552 1.920 1.00 0.00 N ATOM 919 CA PHE A 192 1.656 -2.305 0.771 1.00 0.00 C ATOM 920 C PHE A 192 3.114 -2.219 1.197 1.00 0.00 C ATOM 921 O PHE A 192 3.429 -1.748 2.291 1.00 0.00 O ATOM 922 CB PHE A 192 1.249 -1.015 0.051 1.00 0.00 C ATOM 923 CG PHE A 192 1.130 0.132 1.029 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.050 0.185 1.920 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.088 1.156 1.030 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.067 1.256 2.815 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.967 2.228 1.922 1.00 0.00 C ATOM 928 CZ PHE A 192 0.890 2.276 2.814 1.00 0.00 C ATOM 0 H PHE A 192 1.148 -2.205 2.809 1.00 0.00 H new ATOM 0 HA PHE A 192 1.543 -3.144 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.987 -0.772 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.298 -1.163 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.692 -0.600 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.920 1.118 0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.896 1.294 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.704 3.017 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.797 3.102 3.503 1.00 0.00 H new ATOM 938 N VAL A 193 4.003 -2.683 0.321 1.00 0.00 N ATOM 939 CA VAL A 193 5.441 -2.666 0.602 1.00 0.00 C ATOM 940 C VAL A 193 6.112 -1.499 -0.110 1.00 0.00 C ATOM 941 O VAL A 193 5.676 -1.078 -1.181 1.00 0.00 O ATOM 942 CB VAL A 193 6.085 -3.977 0.136 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.604 -3.906 0.323 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.526 -5.139 0.962 1.00 0.00 C ATOM 0 H VAL A 193 3.756 -3.075 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 193 5.576 -2.554 1.678 1.00 0.00 H new ATOM 0 HB VAL A 193 5.859 -4.133 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.056 -4.840 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.005 -3.080 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.834 -3.747 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.982 -6.072 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.751 -4.977 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.446 -5.196 0.826 1.00 0.00 H new ATOM 954 N CYS A 194 7.184 -0.986 0.494 1.00 0.00 N ATOM 955 CA CYS A 194 7.933 0.133 -0.083 1.00 0.00 C ATOM 956 C CYS A 194 9.371 -0.287 -0.369 1.00 0.00 C ATOM 957 O CYS A 194 9.905 -1.175 0.288 1.00 0.00 O ATOM 958 CB CYS A 194 7.936 1.313 0.890 1.00 0.00 C ATOM 959 SG CYS A 194 6.308 2.102 0.886 1.00 0.00 S ATOM 0 H CYS A 194 7.554 -1.326 1.382 1.00 0.00 H new ATOM 0 HA CYS A 194 7.453 0.429 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.183 0.969 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.702 2.033 0.602 1.00 0.00 H new ATOM 964 N CYS A 195 9.996 0.362 -1.354 1.00 0.00 N ATOM 965 CA CYS A 195 11.381 0.044 -1.716 1.00 0.00 C ATOM 966 C CYS A 195 12.157 1.327 -2.063 1.00 0.00 C ATOM 967 O CYS A 195 11.581 2.267 -2.610 1.00 0.00 O ATOM 968 CB CYS A 195 11.384 -0.913 -2.912 1.00 0.00 C ATOM 969 SG CYS A 195 10.998 -2.588 -2.332 1.00 0.00 S ATOM 0 H CYS A 195 9.571 1.104 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 195 11.871 -0.432 -0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.650 -0.593 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.358 -0.900 -3.402 1.00 0.00 H new ATOM 974 N PRO A 196 13.438 1.395 -1.755 1.00 0.00 N ATOM 975 CA PRO A 196 14.272 2.607 -2.045 1.00 0.00 C ATOM 976 C PRO A 196 14.642 2.725 -3.523 1.00 0.00 C ATOM 977 O PRO A 196 15.429 3.590 -3.906 1.00 0.00 O ATOM 978 CB PRO A 196 15.521 2.383 -1.183 1.00 0.00 C ATOM 979 CG PRO A 196 15.669 0.898 -1.134 1.00 0.00 C ATOM 980 CD PRO A 196 14.243 0.341 -1.100 1.00 0.00 C ATOM 0 HA PRO A 196 13.744 3.534 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.399 2.857 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.397 2.804 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.213 0.530 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.231 0.589 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.171 -0.607 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.909 0.159 -0.079 1.00 0.00 H new ATOM 988 N ASN A 197 14.072 1.857 -4.348 1.00 0.00 N ATOM 989 CA ASN A 197 14.354 1.882 -5.778 1.00 0.00 C ATOM 990 C ASN A 197 14.249 3.308 -6.315 1.00 0.00 C ATOM 991 O ASN A 197 13.489 4.078 -5.751 1.00 0.00 O ATOM 992 CB ASN A 197 13.364 0.975 -6.513 1.00 0.00 C ATOM 993 CG ASN A 197 13.769 -0.487 -6.368 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.882 -0.788 -5.936 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.922 -1.419 -6.706 1.00 0.00 N ATOM 996 OXT ASN A 197 14.932 3.607 -7.280 1.00 0.00 O ATOM 0 H ASN A 197 13.417 1.132 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 197 15.369 1.520 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.361 1.122 -6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.329 1.246 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.181 -2.401 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.001 -1.166 -7.063 1.00 0.00 H new