USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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= 0.07 F(o=-3.5,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.48 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 145 GLN : amide:sc= -8.64! C(o=-8.6!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.35 K(o=0.35,f=-0.73) USER MOD Single : A 149 TYR OH : rot -101:sc= 0.0276 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.75! C(o=-8.7!,f=-8.7!) USER MOD Single : A 153 LYS NZ :NH3+ 156:sc= -0.0583 (180deg=-0.459) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 159:sc=-0.00961 (180deg=-0.191) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.457! USER MOD Single : A 166 LYS NZ :NH3+ 165:sc= -0.0058 (180deg=-0.16) USER MOD Single : A 168 ASN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -157:sc= -0.194 (180deg=-0.891) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.786 (180deg=-1.58!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc= -0.0077 (180deg=-0.0783) USER MOD Single : A 188 THR OG1 : rot -157:sc= -0.363 USER MOD Single : A 197 ASN : amide:sc= -0.0786 K(o=-0.079,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.360 -1.749 2.864 1.00 0.00 N ATOM 19 CA ALA A 134 16.459 -2.738 2.283 1.00 0.00 C ATOM 20 C ALA A 134 15.034 -2.198 2.229 1.00 0.00 C ATOM 21 O ALA A 134 14.727 -1.171 2.832 1.00 0.00 O ATOM 22 CB ALA A 134 16.491 -4.023 3.113 1.00 0.00 C ATOM 0 HA ALA A 134 16.791 -2.954 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.816 -4.757 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.505 -4.424 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.175 -3.805 4.133 1.00 0.00 H new ATOM 28 N CYS A 135 14.168 -2.897 1.503 1.00 0.00 N ATOM 29 CA CYS A 135 12.778 -2.477 1.379 1.00 0.00 C ATOM 30 C CYS A 135 12.093 -2.485 2.744 1.00 0.00 C ATOM 31 O CYS A 135 12.492 -3.224 3.644 1.00 0.00 O ATOM 32 CB CYS A 135 12.038 -3.402 0.409 1.00 0.00 C ATOM 33 SG CYS A 135 12.646 -3.107 -1.273 1.00 0.00 S ATOM 0 H CYS A 135 14.402 -3.750 0.995 1.00 0.00 H new ATOM 0 HA CYS A 135 12.753 -1.460 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.196 -4.444 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.965 -3.218 0.459 1.00 0.00 H new ATOM 38 N GLN A 136 11.063 -1.650 2.892 1.00 0.00 N ATOM 39 CA GLN A 136 10.325 -1.550 4.153 1.00 0.00 C ATOM 40 C GLN A 136 8.852 -1.868 3.931 1.00 0.00 C ATOM 41 O GLN A 136 8.343 -1.736 2.821 1.00 0.00 O ATOM 42 CB GLN A 136 10.461 -0.136 4.722 1.00 0.00 C ATOM 43 CG GLN A 136 11.910 0.106 5.147 1.00 0.00 C ATOM 44 CD GLN A 136 12.070 1.530 5.666 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.371 1.936 6.594 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.956 2.317 5.120 1.00 0.00 N ATOM 0 H GLN A 136 10.721 -1.033 2.155 1.00 0.00 H new ATOM 0 HA GLN A 136 10.741 -2.269 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.163 0.599 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.795 -0.010 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.194 -0.606 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.578 -0.059 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.534 1.978 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.070 3.271 5.462 1.00 0.00 H new ATOM 55 N PHE A 137 8.172 -2.294 4.996 1.00 0.00 N ATOM 56 CA PHE A 137 6.750 -2.639 4.911 1.00 0.00 C ATOM 57 C PHE A 137 5.899 -1.611 5.658 1.00 0.00 C ATOM 58 O PHE A 137 6.251 -1.175 6.753 1.00 0.00 O ATOM 59 CB PHE A 137 6.528 -4.036 5.506 1.00 0.00 C ATOM 60 CG PHE A 137 5.044 -4.321 5.636 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.216 -4.252 4.509 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.497 -4.652 6.884 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.849 -4.511 4.627 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.127 -4.913 7.001 1.00 0.00 C ATOM 65 CZ PHE A 137 2.302 -4.841 5.873 1.00 0.00 C ATOM 0 H PHE A 137 8.579 -2.409 5.924 1.00 0.00 H new ATOM 0 HA PHE A 137 6.448 -2.636 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 137 6.996 -4.788 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.005 -4.103 6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.635 -3.998 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.133 -4.706 7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.213 -4.457 3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.706 -5.170 7.962 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.244 -5.040 5.963 1.00 0.00 H new ATOM 75 N SER A 138 4.774 -1.232 5.049 1.00 0.00 N ATOM 76 CA SER A 138 3.865 -0.258 5.654 1.00 0.00 C ATOM 77 C SER A 138 2.423 -0.552 5.244 1.00 0.00 C ATOM 78 O SER A 138 2.144 -0.825 4.075 1.00 0.00 O ATOM 79 CB SER A 138 4.248 1.152 5.206 1.00 0.00 C ATOM 80 OG SER A 138 3.639 2.101 6.070 1.00 0.00 O ATOM 0 H SER A 138 4.472 -1.583 4.140 1.00 0.00 H new ATOM 0 HA SER A 138 3.945 -0.330 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.331 1.270 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.926 1.319 4.178 1.00 0.00 H new ATOM 0 HG SER A 138 3.884 3.006 5.786 1.00 0.00 H new ATOM 86 N HIS A 139 1.509 -0.499 6.214 1.00 0.00 N ATOM 87 CA HIS A 139 0.089 -0.764 5.953 1.00 0.00 C ATOM 88 C HIS A 139 -0.794 0.301 6.598 1.00 0.00 C ATOM 89 O HIS A 139 -0.368 1.012 7.509 1.00 0.00 O ATOM 90 CB HIS A 139 -0.298 -2.142 6.497 1.00 0.00 C ATOM 91 CG HIS A 139 -0.216 -2.135 7.998 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.125 -1.777 8.963 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.924 -2.533 8.679 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.562 -1.951 10.224 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.673 -2.408 9.996 1.00 0.00 N flip ATOM 0 H HIS A 139 1.723 -0.276 7.186 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.065 -0.740 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.309 -2.398 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.367 -2.904 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.845 -2.880 8.234 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.024 -1.758 11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.344 -2.635 10.730 1.00 0.00 H new ATOM 104 N VAL A 140 -2.031 0.402 6.110 1.00 0.00 N ATOM 105 CA VAL A 140 -2.995 1.380 6.627 1.00 0.00 C ATOM 106 C VAL A 140 -4.360 0.717 6.807 1.00 0.00 C ATOM 107 O VAL A 140 -4.979 0.289 5.834 1.00 0.00 O ATOM 108 CB VAL A 140 -3.098 2.552 5.639 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.283 3.453 6.003 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.811 3.375 5.694 1.00 0.00 C ATOM 0 H VAL A 140 -2.392 -0.182 5.356 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.660 1.752 7.595 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.247 2.154 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.343 4.279 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.206 2.874 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.144 3.848 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.881 4.207 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.669 3.761 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.964 2.744 5.424 1.00 0.00 H new ATOM 120 N ASN A 141 -4.824 0.623 8.056 1.00 0.00 N ATOM 121 CA ASN A 141 -6.118 -0.008 8.335 1.00 0.00 C ATOM 122 C ASN A 141 -6.782 0.600 9.573 1.00 0.00 C ATOM 123 O ASN A 141 -6.195 0.622 10.655 1.00 0.00 O ATOM 124 CB ASN A 141 -5.918 -1.515 8.550 1.00 0.00 C ATOM 125 CG ASN A 141 -5.255 -1.781 9.901 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.979 -1.760 10.985 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.049 -2.016 9.966 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.332 0.970 8.879 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.771 0.166 7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.880 -2.025 8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.302 -1.924 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.486 -2.032 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.612 -2.195 10.870 1.00 0.00 H new ATOM 134 N SER A 142 -8.021 1.072 9.412 1.00 0.00 N ATOM 135 CA SER A 142 -8.777 1.653 10.528 1.00 0.00 C ATOM 136 C SER A 142 -10.235 1.204 10.461 1.00 0.00 C ATOM 137 O SER A 142 -10.622 0.452 9.566 1.00 0.00 O ATOM 138 CB SER A 142 -8.697 3.183 10.506 1.00 0.00 C ATOM 139 OG SER A 142 -8.953 3.682 11.812 1.00 0.00 O ATOM 0 H SER A 142 -8.522 1.064 8.523 1.00 0.00 H new ATOM 0 HA SER A 142 -8.336 1.301 11.460 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.711 3.503 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.423 3.587 9.800 1.00 0.00 H new ATOM 0 HG SER A 142 -8.901 4.661 11.804 1.00 0.00 H new ATOM 145 N ARG A 143 -11.037 1.664 11.414 1.00 0.00 N ATOM 146 CA ARG A 143 -12.448 1.297 11.456 1.00 0.00 C ATOM 147 C ARG A 143 -13.244 2.011 10.361 1.00 0.00 C ATOM 148 O ARG A 143 -14.154 1.430 9.770 1.00 0.00 O ATOM 149 CB ARG A 143 -13.036 1.647 12.824 1.00 0.00 C ATOM 150 CG ARG A 143 -12.046 1.249 13.923 1.00 0.00 C ATOM 151 CD ARG A 143 -11.683 -0.232 13.781 1.00 0.00 C ATOM 152 NE ARG A 143 -11.079 -0.724 15.013 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.765 -2.006 15.164 1.00 0.00 C ATOM 154 NH1 ARG A 143 -10.999 -2.851 14.197 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.225 -2.419 16.276 1.00 0.00 N ATOM 0 H ARG A 143 -10.738 2.288 12.164 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.519 0.223 11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.246 2.715 12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.984 1.128 12.968 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.147 1.862 13.855 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.484 1.433 14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.576 -0.812 13.549 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.991 -0.366 12.950 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.894 -0.071 15.774 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.422 -2.527 13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -10.759 -3.836 14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.043 -1.758 17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -9.984 -3.403 16.391 1.00 0.00 H new ATOM 169 N ASP A 144 -12.911 3.276 10.110 1.00 0.00 N ATOM 170 CA ASP A 144 -13.620 4.066 9.098 1.00 0.00 C ATOM 171 C ASP A 144 -12.923 3.998 7.739 1.00 0.00 C ATOM 172 O ASP A 144 -13.551 4.216 6.704 1.00 0.00 O ATOM 173 CB ASP A 144 -13.700 5.524 9.551 1.00 0.00 C ATOM 174 CG ASP A 144 -14.554 6.327 8.575 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.559 5.801 8.126 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.189 7.456 8.289 1.00 0.00 O ATOM 0 H ASP A 144 -12.161 3.775 10.588 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.621 3.648 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.128 5.580 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.699 5.951 9.608 1.00 0.00 H new ATOM 181 N GLN A 145 -11.628 3.706 7.749 1.00 0.00 N ATOM 182 CA GLN A 145 -10.865 3.627 6.506 1.00 0.00 C ATOM 183 C GLN A 145 -11.456 2.570 5.568 1.00 0.00 C ATOM 184 O GLN A 145 -10.918 1.474 5.441 1.00 0.00 O ATOM 185 CB GLN A 145 -9.398 3.295 6.831 1.00 0.00 C ATOM 186 CG GLN A 145 -8.609 4.582 7.115 1.00 0.00 C ATOM 187 CD GLN A 145 -7.132 4.259 7.301 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.269 4.974 6.790 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.790 3.221 8.008 1.00 0.00 N ATOM 0 H GLN A 145 -11.087 3.521 8.594 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.916 4.590 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.351 2.634 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.946 2.760 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.735 5.284 6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.999 5.067 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.508 2.632 8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.804 2.997 8.141 1.00 0.00 H new ATOM 198 N CYS A 146 -12.565 2.922 4.909 1.00 0.00 N ATOM 199 CA CYS A 146 -13.245 2.018 3.973 1.00 0.00 C ATOM 200 C CYS A 146 -13.263 2.635 2.569 1.00 0.00 C ATOM 201 O CYS A 146 -14.031 3.559 2.297 1.00 0.00 O ATOM 202 CB CYS A 146 -14.681 1.782 4.474 1.00 0.00 C ATOM 203 SG CYS A 146 -15.543 0.598 3.413 1.00 0.00 S ATOM 0 H CYS A 146 -13.014 3.833 5.007 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.715 1.067 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.657 1.410 5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.225 2.726 4.491 1.00 0.00 H new ATOM 208 N ASN A 147 -12.392 2.130 1.680 1.00 0.00 N ATOM 209 CA ASN A 147 -12.290 2.649 0.305 1.00 0.00 C ATOM 210 C ASN A 147 -12.199 1.513 -0.721 1.00 0.00 C ATOM 211 O ASN A 147 -11.964 0.359 -0.364 1.00 0.00 O ATOM 212 CB ASN A 147 -11.050 3.540 0.183 1.00 0.00 C ATOM 213 CG ASN A 147 -10.940 4.451 1.400 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.383 5.599 1.359 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.372 4.005 2.488 1.00 0.00 N ATOM 0 H ASN A 147 -11.750 1.365 1.887 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.191 3.226 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.156 2.923 0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.111 4.139 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.294 4.608 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.006 3.053 2.519 1.00 0.00 H new ATOM 222 N ASP A 148 -12.396 1.856 -1.998 1.00 0.00 N ATOM 223 CA ASP A 148 -12.346 0.865 -3.080 1.00 0.00 C ATOM 224 C ASP A 148 -10.911 0.461 -3.414 1.00 0.00 C ATOM 225 O ASP A 148 -9.957 1.172 -3.098 1.00 0.00 O ATOM 226 CB ASP A 148 -13.033 1.418 -4.332 1.00 0.00 C ATOM 227 CG ASP A 148 -12.556 2.836 -4.616 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.173 3.758 -4.111 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.584 2.977 -5.339 1.00 0.00 O ATOM 0 H ASP A 148 -12.591 2.808 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.873 -0.025 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.817 0.777 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.114 1.412 -4.194 1.00 0.00 H new ATOM 234 N TYR A 149 -10.780 -0.699 -4.055 1.00 0.00 N ATOM 235 CA TYR A 149 -9.473 -1.224 -4.441 1.00 0.00 C ATOM 236 C TYR A 149 -8.629 -0.143 -5.109 1.00 0.00 C ATOM 237 O TYR A 149 -7.537 0.183 -4.643 1.00 0.00 O ATOM 238 CB TYR A 149 -9.659 -2.393 -5.413 1.00 0.00 C ATOM 239 CG TYR A 149 -8.340 -3.093 -5.648 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.941 -4.138 -4.805 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.518 -2.698 -6.711 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.722 -4.791 -5.027 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.298 -3.350 -6.931 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.901 -4.398 -6.090 1.00 0.00 C ATOM 245 OH TYR A 149 -4.700 -5.040 -6.308 1.00 0.00 O ATOM 0 H TYR A 149 -11.566 -1.294 -4.318 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.958 -1.563 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.386 -3.098 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.059 -2.028 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.574 -4.440 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.825 -1.891 -7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.416 -5.598 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.663 -3.045 -7.749 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.967 -4.489 -5.961 1.00 0.00 H new ATOM 255 N GLN A 150 -9.141 0.405 -6.208 1.00 0.00 N ATOM 256 CA GLN A 150 -8.424 1.444 -6.936 1.00 0.00 C ATOM 257 C GLN A 150 -8.054 2.597 -6.012 1.00 0.00 C ATOM 258 O GLN A 150 -6.909 3.044 -5.990 1.00 0.00 O ATOM 259 CB GLN A 150 -9.286 1.964 -8.089 1.00 0.00 C ATOM 260 CG GLN A 150 -8.558 3.109 -8.803 1.00 0.00 C ATOM 261 CD GLN A 150 -9.126 3.301 -10.200 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.956 4.181 -10.422 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.721 2.520 -11.160 1.00 0.00 N ATOM 0 H GLN A 150 -10.043 0.148 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.507 1.011 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.494 1.158 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.247 2.312 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.663 4.030 -8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.492 2.891 -8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.032 1.792 -10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.092 2.636 -12.103 1.00 0.00 H new ATOM 272 N HIS A 151 -9.032 3.076 -5.248 1.00 0.00 N ATOM 273 CA HIS A 151 -8.787 4.177 -4.325 1.00 0.00 C ATOM 274 C HIS A 151 -7.580 3.868 -3.446 1.00 0.00 C ATOM 275 O HIS A 151 -6.688 4.701 -3.291 1.00 0.00 O ATOM 276 CB HIS A 151 -10.026 4.416 -3.443 1.00 0.00 C ATOM 277 CG HIS A 151 -11.031 5.258 -4.184 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.075 5.901 -3.537 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.165 5.570 -5.514 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.786 6.562 -4.471 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.273 6.394 -5.693 1.00 0.00 N ATOM 0 H HIS A 151 -9.989 2.724 -5.250 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.584 5.078 -4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.474 3.462 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.734 4.913 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.510 5.228 -6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.663 7.155 -4.258 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.619 6.785 -6.569 1.00 0.00 H new ATOM 290 N TRP A 152 -7.561 2.673 -2.867 1.00 0.00 N ATOM 291 CA TRP A 152 -6.452 2.292 -2.004 1.00 0.00 C ATOM 292 C TRP A 152 -5.136 2.326 -2.784 1.00 0.00 C ATOM 293 O TRP A 152 -4.141 2.865 -2.309 1.00 0.00 O ATOM 294 CB TRP A 152 -6.677 0.879 -1.418 1.00 0.00 C ATOM 295 CG TRP A 152 -7.466 0.939 -0.144 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.566 0.191 0.107 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.232 1.743 1.059 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.032 0.489 1.375 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.249 1.441 1.997 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.257 2.701 1.430 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.300 2.060 3.244 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.309 3.319 2.683 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.325 3.005 3.586 1.00 0.00 C ATOM 0 H TRP A 152 -8.286 1.964 -2.977 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.398 3.007 -1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.203 0.260 -2.145 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.715 0.403 -1.231 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.008 -0.523 -0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.854 0.058 1.799 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.467 2.956 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.086 1.813 3.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.557 4.045 2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.360 3.491 4.550 1.00 0.00 H new ATOM 314 N LYS A 153 -5.141 1.739 -3.973 1.00 0.00 N ATOM 315 CA LYS A 153 -3.942 1.701 -4.805 1.00 0.00 C ATOM 316 C LYS A 153 -3.300 3.082 -4.890 1.00 0.00 C ATOM 317 O LYS A 153 -2.076 3.209 -4.851 1.00 0.00 O ATOM 318 CB LYS A 153 -4.321 1.190 -6.210 1.00 0.00 C ATOM 319 CG LYS A 153 -3.120 0.499 -6.897 1.00 0.00 C ATOM 320 CD LYS A 153 -3.606 -0.474 -7.985 1.00 0.00 C ATOM 321 CE LYS A 153 -4.069 0.309 -9.215 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.889 0.912 -9.894 1.00 0.00 N ATOM 0 H LYS A 153 -5.957 1.284 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.214 1.025 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.152 0.489 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.663 2.024 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.465 1.250 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.531 -0.041 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.802 -1.157 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.425 -1.083 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.598 -0.352 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.770 1.090 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.114 1.082 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.648 1.813 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.080 0.262 -9.827 1.00 0.00 H new ATOM 336 N ASP A 154 -4.127 4.110 -5.003 1.00 0.00 N ATOM 337 CA ASP A 154 -3.614 5.470 -5.086 1.00 0.00 C ATOM 338 C ASP A 154 -3.147 5.954 -3.717 1.00 0.00 C ATOM 339 O ASP A 154 -2.043 6.476 -3.580 1.00 0.00 O ATOM 340 CB ASP A 154 -4.699 6.407 -5.619 1.00 0.00 C ATOM 341 CG ASP A 154 -5.020 6.062 -7.069 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.087 5.863 -7.829 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.192 6.003 -7.398 1.00 0.00 O ATOM 0 H ASP A 154 -5.143 4.032 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.764 5.475 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.598 6.320 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.364 7.442 -5.548 1.00 0.00 H new ATOM 348 N GLU A 155 -3.993 5.775 -2.704 1.00 0.00 N ATOM 349 CA GLU A 155 -3.656 6.205 -1.349 1.00 0.00 C ATOM 350 C GLU A 155 -2.356 5.553 -0.872 1.00 0.00 C ATOM 351 O GLU A 155 -1.441 6.244 -0.424 1.00 0.00 O ATOM 352 CB GLU A 155 -4.808 5.866 -0.391 1.00 0.00 C ATOM 353 CG GLU A 155 -4.371 6.073 1.074 1.00 0.00 C ATOM 354 CD GLU A 155 -5.574 6.443 1.942 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.646 5.914 1.690 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.404 7.247 2.843 1.00 0.00 O ATOM 0 H GLU A 155 -4.910 5.338 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.505 7.285 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.670 6.496 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.121 4.833 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.907 5.163 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.619 6.861 1.128 1.00 0.00 H new ATOM 363 N ALA A 156 -2.269 4.230 -0.979 1.00 0.00 N ATOM 364 CA ALA A 156 -1.063 3.526 -0.557 1.00 0.00 C ATOM 365 C ALA A 156 0.142 4.118 -1.274 1.00 0.00 C ATOM 366 O ALA A 156 1.243 4.171 -0.726 1.00 0.00 O ATOM 367 CB ALA A 156 -1.174 2.031 -0.875 1.00 0.00 C ATOM 0 H ALA A 156 -3.008 3.632 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.943 3.642 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.265 1.522 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.031 1.610 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.305 1.896 -1.949 1.00 0.00 H new ATOM 373 N GLY A 157 -0.083 4.572 -2.503 1.00 0.00 N ATOM 374 CA GLY A 157 0.986 5.174 -3.290 1.00 0.00 C ATOM 375 C GLY A 157 1.464 6.473 -2.646 1.00 0.00 C ATOM 376 O GLY A 157 2.664 6.686 -2.476 1.00 0.00 O ATOM 0 H GLY A 157 -0.988 4.535 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.819 4.476 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.632 5.372 -4.302 1.00 0.00 H new ATOM 380 N LYS A 158 0.517 7.340 -2.287 1.00 0.00 N ATOM 381 CA LYS A 158 0.861 8.613 -1.664 1.00 0.00 C ATOM 382 C LYS A 158 1.478 8.395 -0.287 1.00 0.00 C ATOM 383 O LYS A 158 2.400 9.109 0.105 1.00 0.00 O ATOM 384 CB LYS A 158 -0.384 9.498 -1.523 1.00 0.00 C ATOM 385 CG LYS A 158 -1.174 9.516 -2.843 1.00 0.00 C ATOM 386 CD LYS A 158 -2.000 10.805 -2.942 1.00 0.00 C ATOM 387 CE LYS A 158 -3.023 10.845 -1.804 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.998 11.944 -2.052 1.00 0.00 N ATOM 0 H LYS A 158 -0.483 7.185 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 158 1.588 9.110 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.016 9.124 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.090 10.512 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.488 9.448 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.831 8.648 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.345 11.674 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.509 10.850 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.544 9.890 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.517 11.001 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.694 11.972 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.493 12.852 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.489 11.776 -2.953 1.00 0.00 H new ATOM 402 N GLN A 159 0.961 7.416 0.449 1.00 0.00 N ATOM 403 CA GLN A 159 1.475 7.136 1.787 1.00 0.00 C ATOM 404 C GLN A 159 2.973 6.832 1.730 1.00 0.00 C ATOM 405 O GLN A 159 3.741 7.279 2.581 1.00 0.00 O ATOM 406 CB GLN A 159 0.714 5.946 2.415 1.00 0.00 C ATOM 407 CG GLN A 159 0.579 6.148 3.932 1.00 0.00 C ATOM 408 CD GLN A 159 -0.528 7.154 4.231 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.265 8.222 4.784 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.758 6.873 3.895 1.00 0.00 N ATOM 0 H GLN A 159 0.197 6.810 0.148 1.00 0.00 H new ATOM 0 HA GLN A 159 1.322 8.018 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.274 5.856 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.244 5.016 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.356 5.197 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.524 6.502 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.972 5.987 3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.505 7.539 4.091 1.00 0.00 H new ATOM 419 N CYS A 160 3.376 6.060 0.728 1.00 0.00 N ATOM 420 CA CYS A 160 4.778 5.697 0.572 1.00 0.00 C ATOM 421 C CYS A 160 5.587 6.858 0.002 1.00 0.00 C ATOM 422 O CYS A 160 6.697 7.137 0.458 1.00 0.00 O ATOM 423 CB CYS A 160 4.890 4.495 -0.361 1.00 0.00 C ATOM 424 SG CYS A 160 6.547 3.781 -0.229 1.00 0.00 S ATOM 0 H CYS A 160 2.756 5.675 0.016 1.00 0.00 H new ATOM 0 HA CYS A 160 5.179 5.448 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.139 3.749 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.695 4.800 -1.389 1.00 0.00 H new ATOM 429 N LYS A 161 5.030 7.520 -1.003 1.00 0.00 N ATOM 430 CA LYS A 161 5.712 8.641 -1.643 1.00 0.00 C ATOM 431 C LYS A 161 5.957 9.772 -0.648 1.00 0.00 C ATOM 432 O LYS A 161 7.079 10.262 -0.519 1.00 0.00 O ATOM 433 CB LYS A 161 4.873 9.163 -2.814 1.00 0.00 C ATOM 434 CG LYS A 161 4.773 8.090 -3.920 1.00 0.00 C ATOM 435 CD LYS A 161 5.973 8.193 -4.883 1.00 0.00 C ATOM 436 CE LYS A 161 5.696 9.239 -5.971 1.00 0.00 C ATOM 437 NZ LYS A 161 6.815 9.238 -6.954 1.00 0.00 N ATOM 0 H LYS A 161 4.113 7.303 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 161 6.675 8.287 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.875 9.430 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.323 10.070 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.744 7.097 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.843 8.216 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.871 8.465 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.164 7.223 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.755 9.016 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 161 5.592 10.227 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.629 9.946 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.705 9.470 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 6.894 8.297 -7.389 1.00 0.00 H new ATOM 451 N THR A 162 4.903 10.187 0.047 1.00 0.00 N ATOM 452 CA THR A 162 5.029 11.268 1.020 1.00 0.00 C ATOM 453 C THR A 162 5.997 10.874 2.132 1.00 0.00 C ATOM 454 O THR A 162 6.656 11.728 2.724 1.00 0.00 O ATOM 455 CB THR A 162 3.655 11.614 1.611 1.00 0.00 C ATOM 456 OG1 THR A 162 3.740 12.854 2.301 1.00 0.00 O ATOM 457 CG2 THR A 162 3.207 10.520 2.584 1.00 0.00 C ATOM 0 H THR A 162 3.964 9.798 -0.042 1.00 0.00 H new ATOM 0 HA THR A 162 5.424 12.148 0.511 1.00 0.00 H new ATOM 0 HB THR A 162 2.928 11.688 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.864 13.079 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.231 10.777 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.139 9.569 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.932 10.434 3.394 1.00 0.00 H new ATOM 465 N LYS A 163 6.078 9.577 2.409 1.00 0.00 N ATOM 466 CA LYS A 163 6.973 9.083 3.448 1.00 0.00 C ATOM 467 C LYS A 163 8.411 9.063 2.943 1.00 0.00 C ATOM 468 O LYS A 163 8.656 8.971 1.739 1.00 0.00 O ATOM 469 CB LYS A 163 6.550 7.670 3.878 1.00 0.00 C ATOM 470 CG LYS A 163 5.359 7.757 4.849 1.00 0.00 C ATOM 471 CD LYS A 163 5.823 8.258 6.251 1.00 0.00 C ATOM 472 CE LYS A 163 5.099 9.557 6.628 1.00 0.00 C ATOM 473 NZ LYS A 163 3.639 9.289 6.770 1.00 0.00 N ATOM 0 H LYS A 163 5.539 8.854 1.932 1.00 0.00 H new ATOM 0 HA LYS A 163 6.912 9.751 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.276 7.080 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.386 7.160 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.605 8.434 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.890 6.778 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.623 7.493 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.900 8.424 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.500 9.951 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.268 10.315 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.204 10.034 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.195 9.280 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.498 8.366 7.228 1.00 0.00 H new ATOM 487 N LYS A 164 9.360 9.156 3.871 1.00 0.00 N ATOM 488 CA LYS A 164 10.777 9.157 3.517 1.00 0.00 C ATOM 489 C LYS A 164 11.594 8.428 4.580 1.00 0.00 C ATOM 490 O LYS A 164 11.106 8.160 5.677 1.00 0.00 O ATOM 491 CB LYS A 164 11.285 10.599 3.388 1.00 0.00 C ATOM 492 CG LYS A 164 10.828 11.440 4.606 1.00 0.00 C ATOM 493 CD LYS A 164 9.503 12.156 4.305 1.00 0.00 C ATOM 494 CE LYS A 164 9.155 13.087 5.468 1.00 0.00 C ATOM 495 NZ LYS A 164 7.893 13.818 5.161 1.00 0.00 N ATOM 0 H LYS A 164 9.174 9.231 4.871 1.00 0.00 H new ATOM 0 HA LYS A 164 10.893 8.642 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.373 10.604 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.907 11.044 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.709 10.794 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.595 12.173 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.587 12.727 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.707 11.426 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.040 12.511 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.966 13.795 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.657 14.451 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.019 14.379 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.121 13.135 5.022 1.00 0.00 H new ATOM 509 N SER A 165 12.842 8.116 4.244 1.00 0.00 N ATOM 510 CA SER A 165 13.724 7.423 5.176 1.00 0.00 C ATOM 511 C SER A 165 14.307 8.408 6.185 1.00 0.00 C ATOM 512 O SER A 165 13.928 9.579 6.211 1.00 0.00 O ATOM 513 CB SER A 165 14.856 6.739 4.409 1.00 0.00 C ATOM 514 OG SER A 165 15.860 6.321 5.322 1.00 0.00 O ATOM 0 H SER A 165 13.263 8.330 3.340 1.00 0.00 H new ATOM 0 HA SER A 165 13.145 6.670 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.470 5.881 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.279 7.425 3.675 1.00 0.00 H new ATOM 0 HG SER A 165 16.585 5.881 4.832 1.00 0.00 H new ATOM 520 N LYS A 166 15.228 7.929 7.014 1.00 0.00 N ATOM 521 CA LYS A 166 15.852 8.781 8.019 1.00 0.00 C ATOM 522 C LYS A 166 16.639 9.906 7.352 1.00 0.00 C ATOM 523 O LYS A 166 16.753 11.004 7.895 1.00 0.00 O ATOM 524 CB LYS A 166 16.791 7.947 8.902 1.00 0.00 C ATOM 525 CG LYS A 166 17.238 8.764 10.131 1.00 0.00 C ATOM 526 CD LYS A 166 16.229 8.601 11.275 1.00 0.00 C ATOM 527 CE LYS A 166 16.557 9.599 12.388 1.00 0.00 C ATOM 528 NZ LYS A 166 16.108 10.961 11.981 1.00 0.00 N ATOM 0 H LYS A 166 15.557 6.963 7.011 1.00 0.00 H new ATOM 0 HA LYS A 166 15.068 9.219 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.284 7.038 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.663 7.638 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.224 8.433 10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.327 9.817 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.216 8.768 10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 166 16.263 7.583 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 166 16.064 9.303 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.629 9.601 12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 16.093 11.585 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 16.765 11.346 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.153 10.904 11.573 1.00 0.00 H new ATOM 542 N GLY A 167 17.184 9.622 6.170 1.00 0.00 N ATOM 543 CA GLY A 167 17.963 10.615 5.432 1.00 0.00 C ATOM 544 C GLY A 167 17.078 11.403 4.472 1.00 0.00 C ATOM 545 O GLY A 167 17.525 11.820 3.403 1.00 0.00 O ATOM 0 H GLY A 167 17.101 8.718 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.444 11.298 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.757 10.118 4.875 1.00 0.00 H new ATOM 549 N ASN A 168 15.822 11.604 4.856 1.00 0.00 N ATOM 550 CA ASN A 168 14.886 12.345 4.018 1.00 0.00 C ATOM 551 C ASN A 168 14.965 11.856 2.573 1.00 0.00 C ATOM 552 O ASN A 168 14.951 12.653 1.635 1.00 0.00 O ATOM 553 CB ASN A 168 15.206 13.840 4.071 1.00 0.00 C ATOM 554 CG ASN A 168 15.122 14.339 5.508 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.084 14.901 6.031 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.018 14.167 6.184 1.00 0.00 N ATOM 0 H ASN A 168 15.430 11.267 5.736 1.00 0.00 H new ATOM 0 HA ASN A 168 13.877 12.178 4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.204 14.021 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.507 14.393 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.952 14.499 7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.221 13.701 5.750 1.00 0.00 H new ATOM 563 N LYS A 169 15.051 10.540 2.407 1.00 0.00 N ATOM 564 CA LYS A 169 15.138 9.938 1.075 1.00 0.00 C ATOM 565 C LYS A 169 13.732 9.694 0.516 1.00 0.00 C ATOM 566 O LYS A 169 12.744 10.185 1.061 1.00 0.00 O ATOM 567 CB LYS A 169 15.930 8.612 1.165 1.00 0.00 C ATOM 568 CG LYS A 169 16.888 8.461 -0.035 1.00 0.00 C ATOM 569 CD LYS A 169 18.187 9.230 0.231 1.00 0.00 C ATOM 570 CE LYS A 169 19.158 9.004 -0.929 1.00 0.00 C ATOM 571 NZ LYS A 169 19.430 7.546 -1.072 1.00 0.00 N ATOM 0 H LYS A 169 15.063 9.869 3.175 1.00 0.00 H new ATOM 0 HA LYS A 169 15.659 10.616 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.498 8.585 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.237 7.771 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 169 17.108 7.407 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 169 16.412 8.837 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 169 17.977 10.294 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.636 8.895 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.735 9.398 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 169 20.088 9.542 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.339 7.408 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 19.472 7.107 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 18.669 7.104 -1.627 1.00 0.00 H new ATOM 585 N ASP A 170 13.651 8.931 -0.576 1.00 0.00 N ATOM 586 CA ASP A 170 12.365 8.622 -1.209 1.00 0.00 C ATOM 587 C ASP A 170 12.212 7.114 -1.380 1.00 0.00 C ATOM 588 O ASP A 170 13.201 6.382 -1.421 1.00 0.00 O ATOM 589 CB ASP A 170 12.286 9.301 -2.578 1.00 0.00 C ATOM 590 CG ASP A 170 10.854 9.261 -3.097 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.075 10.111 -2.699 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.555 8.382 -3.889 1.00 0.00 O ATOM 0 H ASP A 170 14.459 8.516 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 170 11.562 8.992 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.625 10.334 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.951 8.799 -3.281 1.00 0.00 H new ATOM 597 N MET A 171 10.966 6.654 -1.482 1.00 0.00 N ATOM 598 CA MET A 171 10.694 5.225 -1.646 1.00 0.00 C ATOM 599 C MET A 171 9.428 5.007 -2.468 1.00 0.00 C ATOM 600 O MET A 171 8.421 5.687 -2.271 1.00 0.00 O ATOM 601 CB MET A 171 10.521 4.562 -0.277 1.00 0.00 C ATOM 602 CG MET A 171 11.742 4.850 0.598 1.00 0.00 C ATOM 603 SD MET A 171 11.675 3.826 2.092 1.00 0.00 S ATOM 604 CE MET A 171 11.898 2.212 1.300 1.00 0.00 C ATOM 0 H MET A 171 10.134 7.244 -1.454 1.00 0.00 H new ATOM 0 HA MET A 171 11.540 4.778 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.619 4.937 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.395 3.486 -0.397 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.657 4.642 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.767 5.905 0.869 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.204 1.479 2.047 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.959 1.897 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.666 2.288 0.530 1.00 0.00 H new ATOM 614 N ILE A 172 9.482 4.038 -3.379 1.00 0.00 N ATOM 615 CA ILE A 172 8.333 3.711 -4.220 1.00 0.00 C ATOM 616 C ILE A 172 7.509 2.618 -3.554 1.00 0.00 C ATOM 617 O ILE A 172 7.772 2.254 -2.411 1.00 0.00 O ATOM 618 CB ILE A 172 8.804 3.237 -5.605 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.613 1.933 -5.490 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.691 4.314 -6.232 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.901 1.389 -6.891 1.00 0.00 C ATOM 0 H ILE A 172 10.308 3.466 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 172 7.720 4.603 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 172 7.927 3.056 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.548 2.117 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.057 1.197 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.027 3.982 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.123 5.238 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.556 4.490 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.474 0.465 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.960 1.190 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.474 2.124 -7.456 1.00 0.00 H new ATOM 633 N VAL A 173 6.529 2.082 -4.279 1.00 0.00 N ATOM 634 CA VAL A 173 5.688 1.002 -3.757 1.00 0.00 C ATOM 635 C VAL A 173 5.947 -0.272 -4.556 1.00 0.00 C ATOM 636 O VAL A 173 5.568 -0.380 -5.721 1.00 0.00 O ATOM 637 CB VAL A 173 4.204 1.390 -3.837 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.332 0.171 -3.514 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.910 2.510 -2.824 1.00 0.00 C ATOM 0 H VAL A 173 6.297 2.376 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 173 5.938 0.828 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 173 3.978 1.740 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.280 0.451 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.536 -0.623 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.559 -0.182 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.857 2.785 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.140 2.160 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.525 3.380 -3.055 1.00 0.00 H new ATOM 649 N ARG A 174 6.613 -1.222 -3.913 1.00 0.00 N ATOM 650 CA ARG A 174 6.950 -2.486 -4.555 1.00 0.00 C ATOM 651 C ARG A 174 5.718 -3.390 -4.658 1.00 0.00 C ATOM 652 O ARG A 174 5.346 -3.818 -5.751 1.00 0.00 O ATOM 653 CB ARG A 174 8.086 -3.164 -3.753 1.00 0.00 C ATOM 654 CG ARG A 174 8.025 -4.695 -3.874 1.00 0.00 C ATOM 655 CD ARG A 174 9.380 -5.297 -3.493 1.00 0.00 C ATOM 656 NE ARG A 174 9.298 -6.753 -3.479 1.00 0.00 N ATOM 657 CZ ARG A 174 10.319 -7.495 -3.063 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.419 -6.923 -2.656 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.222 -8.796 -3.061 1.00 0.00 N ATOM 0 H ARG A 174 6.931 -1.141 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 174 7.294 -2.302 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.051 -2.808 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.013 -2.878 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.245 -5.090 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.764 -4.979 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.142 -4.975 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.685 -4.933 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 174 8.442 -7.210 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.495 -5.906 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.202 -7.493 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.362 -9.244 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 174 11.006 -9.365 -2.742 1.00 0.00 H new ATOM 673 N SER A 175 5.096 -3.684 -3.516 1.00 0.00 N ATOM 674 CA SER A 175 3.910 -4.552 -3.487 1.00 0.00 C ATOM 675 C SER A 175 2.680 -3.774 -3.028 1.00 0.00 C ATOM 676 O SER A 175 2.796 -2.676 -2.486 1.00 0.00 O ATOM 677 CB SER A 175 4.152 -5.729 -2.542 1.00 0.00 C ATOM 678 OG SER A 175 3.231 -6.771 -2.844 1.00 0.00 O ATOM 0 H SER A 175 5.388 -3.338 -2.602 1.00 0.00 H new ATOM 0 HA SER A 175 3.731 -4.923 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.175 -6.090 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.031 -5.410 -1.507 1.00 0.00 H new ATOM 0 HG SER A 175 3.384 -7.528 -2.241 1.00 0.00 H new ATOM 684 N PHE A 176 1.505 -4.356 -3.249 1.00 0.00 N ATOM 685 CA PHE A 176 0.263 -3.708 -2.849 1.00 0.00 C ATOM 686 C PHE A 176 -0.912 -4.685 -2.948 1.00 0.00 C ATOM 687 O PHE A 176 -1.084 -5.376 -3.952 1.00 0.00 O ATOM 688 CB PHE A 176 0.035 -2.460 -3.726 1.00 0.00 C ATOM 689 CG PHE A 176 -1.430 -2.063 -3.742 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.951 -1.279 -2.713 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.265 -2.487 -4.784 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.296 -0.921 -2.713 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.617 -2.121 -4.788 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.133 -1.338 -3.749 1.00 0.00 C ATOM 0 H PHE A 176 1.388 -5.265 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 176 0.335 -3.394 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.635 -1.632 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.372 -2.660 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.307 -0.948 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.867 -3.095 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.693 -0.319 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.261 -2.443 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.176 -1.057 -3.749 1.00 0.00 H new ATOM 704 N ALA A 177 -1.713 -4.724 -1.887 1.00 0.00 N ATOM 705 CA ALA A 177 -2.880 -5.604 -1.829 1.00 0.00 C ATOM 706 C ALA A 177 -3.766 -5.198 -0.659 1.00 0.00 C ATOM 707 O ALA A 177 -3.260 -4.841 0.396 1.00 0.00 O ATOM 708 CB ALA A 177 -2.432 -7.057 -1.651 1.00 0.00 C ATOM 0 H ALA A 177 -1.576 -4.155 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.440 -5.515 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.307 -7.705 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.804 -7.350 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.865 -7.152 -0.725 1.00 0.00 H new ATOM 714 N VAL A 178 -5.084 -5.246 -0.842 1.00 0.00 N ATOM 715 CA VAL A 178 -5.992 -4.851 0.232 1.00 0.00 C ATOM 716 C VAL A 178 -5.932 -5.840 1.392 1.00 0.00 C ATOM 717 O VAL A 178 -5.398 -6.940 1.254 1.00 0.00 O ATOM 718 CB VAL A 178 -7.430 -4.726 -0.284 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.518 -3.542 -1.253 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.849 -6.015 -1.003 1.00 0.00 C ATOM 0 H VAL A 178 -5.539 -5.547 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.669 -3.875 0.595 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.101 -4.561 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.539 -3.449 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.235 -2.626 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.842 -3.708 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.872 -5.914 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.182 -6.195 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.791 -6.854 -0.309 1.00 0.00 H new ATOM 730 N LEU A 179 -6.451 -5.423 2.554 1.00 0.00 N ATOM 731 CA LEU A 179 -6.419 -6.263 3.757 1.00 0.00 C ATOM 732 C LEU A 179 -7.816 -6.723 4.175 1.00 0.00 C ATOM 733 O LEU A 179 -8.344 -7.705 3.655 1.00 0.00 O ATOM 734 CB LEU A 179 -5.794 -5.473 4.923 1.00 0.00 C ATOM 735 CG LEU A 179 -4.266 -5.358 4.761 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.686 -4.442 5.880 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.618 -6.770 4.814 1.00 0.00 C ATOM 0 H LEU A 179 -6.895 -4.514 2.686 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.823 -7.145 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.234 -4.477 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.026 -5.967 5.866 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.037 -4.912 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.605 -4.363 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.132 -3.450 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.914 -4.871 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.538 -6.679 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.843 -7.238 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.019 -7.385 4.008 1.00 0.00 H new ATOM 749 N GLU A 180 -8.384 -6.022 5.154 1.00 0.00 N ATOM 750 CA GLU A 180 -9.696 -6.378 5.686 1.00 0.00 C ATOM 751 C GLU A 180 -10.820 -6.041 4.701 1.00 0.00 C ATOM 752 O GLU A 180 -10.731 -5.051 3.974 1.00 0.00 O ATOM 753 CB GLU A 180 -9.934 -5.632 7.000 1.00 0.00 C ATOM 754 CG GLU A 180 -9.026 -6.207 8.090 1.00 0.00 C ATOM 755 CD GLU A 180 -9.019 -5.286 9.304 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.077 -4.787 9.652 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.956 -5.090 9.868 1.00 0.00 O ATOM 0 H GLU A 180 -7.957 -5.207 5.593 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.707 -7.455 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.732 -4.569 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.979 -5.723 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.374 -7.199 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.013 -6.324 7.706 1.00 0.00 H new ATOM 764 N PRO A 181 -11.878 -6.828 4.666 1.00 0.00 N ATOM 765 CA PRO A 181 -13.034 -6.580 3.755 1.00 0.00 C ATOM 766 C PRO A 181 -13.990 -5.508 4.286 1.00 0.00 C ATOM 767 O PRO A 181 -14.198 -5.375 5.493 1.00 0.00 O ATOM 768 CB PRO A 181 -13.726 -7.943 3.710 1.00 0.00 C ATOM 769 CG PRO A 181 -13.505 -8.500 5.075 1.00 0.00 C ATOM 770 CD PRO A 181 -12.098 -8.046 5.478 1.00 0.00 C ATOM 0 HA PRO A 181 -12.717 -6.205 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.788 -7.845 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.295 -8.585 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.253 -8.130 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.581 -9.587 5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.036 -7.833 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.353 -8.812 5.262 1.00 0.00 H new ATOM 778 N CYS A 182 -14.575 -4.764 3.356 1.00 0.00 N ATOM 779 CA CYS A 182 -15.536 -3.698 3.662 1.00 0.00 C ATOM 780 C CYS A 182 -16.727 -3.843 2.716 1.00 0.00 C ATOM 781 O CYS A 182 -16.850 -4.864 2.040 1.00 0.00 O ATOM 782 CB CYS A 182 -14.880 -2.324 3.504 1.00 0.00 C ATOM 783 SG CYS A 182 -15.705 -1.085 4.529 1.00 0.00 S ATOM 0 H CYS A 182 -14.398 -4.880 2.358 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.873 -3.783 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.828 -2.386 3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.917 -2.018 2.458 1.00 0.00 H new ATOM 788 N ALA A 183 -17.608 -2.845 2.694 1.00 0.00 N ATOM 789 CA ALA A 183 -18.798 -2.888 1.834 1.00 0.00 C ATOM 790 C ALA A 183 -18.514 -3.594 0.500 1.00 0.00 C ATOM 791 O ALA A 183 -17.361 -3.753 0.103 1.00 0.00 O ATOM 792 CB ALA A 183 -19.284 -1.463 1.555 1.00 0.00 C ATOM 0 H ALA A 183 -17.525 -1.999 3.257 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.566 -3.455 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.167 -1.498 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.536 -0.974 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.496 -0.901 1.053 1.00 0.00 H new ATOM 798 N LEU A 184 -19.595 -4.026 -0.161 1.00 0.00 N ATOM 799 CA LEU A 184 -19.530 -4.752 -1.444 1.00 0.00 C ATOM 800 C LEU A 184 -18.163 -4.644 -2.133 1.00 0.00 C ATOM 801 O LEU A 184 -17.450 -5.640 -2.257 1.00 0.00 O ATOM 802 CB LEU A 184 -20.627 -4.214 -2.380 1.00 0.00 C ATOM 803 CG LEU A 184 -21.083 -5.289 -3.390 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.872 -5.837 -4.156 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.814 -6.445 -2.668 1.00 0.00 C ATOM 0 H LEU A 184 -20.546 -3.883 0.178 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.685 -5.809 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.481 -3.882 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.253 -3.343 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.776 -4.827 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.203 -6.595 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.384 -5.024 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.168 -6.282 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.126 -7.191 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.141 -6.905 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.690 -6.055 -2.151 1.00 0.00 H new ATOM 817 N ASP A 185 -17.806 -3.442 -2.587 1.00 0.00 N ATOM 818 CA ASP A 185 -16.522 -3.229 -3.273 1.00 0.00 C ATOM 819 C ASP A 185 -15.670 -2.225 -2.509 1.00 0.00 C ATOM 820 O ASP A 185 -15.440 -1.111 -2.978 1.00 0.00 O ATOM 821 CB ASP A 185 -16.772 -2.708 -4.689 1.00 0.00 C ATOM 822 CG ASP A 185 -15.459 -2.640 -5.461 1.00 0.00 C ATOM 823 OD1 ASP A 185 -15.073 -3.650 -6.024 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.859 -1.578 -5.476 1.00 0.00 O ATOM 0 H ASP A 185 -18.380 -2.604 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.992 -4.180 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.474 -3.362 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.229 -1.719 -4.646 1.00 0.00 H new ATOM 829 N MET A 186 -15.212 -2.626 -1.327 1.00 0.00 N ATOM 830 CA MET A 186 -14.397 -1.750 -0.492 1.00 0.00 C ATOM 831 C MET A 186 -13.584 -2.558 0.518 1.00 0.00 C ATOM 832 O MET A 186 -13.887 -3.720 0.783 1.00 0.00 O ATOM 833 CB MET A 186 -15.297 -0.743 0.240 1.00 0.00 C ATOM 834 CG MET A 186 -15.839 0.310 -0.732 1.00 0.00 C ATOM 835 SD MET A 186 -16.378 1.761 0.205 1.00 0.00 S ATOM 836 CE MET A 186 -16.002 3.007 -1.053 1.00 0.00 C ATOM 0 H MET A 186 -15.390 -3.547 -0.927 1.00 0.00 H new ATOM 0 HA MET A 186 -13.701 -1.211 -1.135 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.126 -1.268 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.733 -0.255 1.034 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.068 0.591 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.672 -0.099 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.145 4.003 -0.633 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.968 2.895 -1.378 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.667 2.874 -1.907 1.00 0.00 H new ATOM 846 N PHE A 187 -12.548 -1.928 1.084 1.00 0.00 N ATOM 847 CA PHE A 187 -11.687 -2.585 2.077 1.00 0.00 C ATOM 848 C PHE A 187 -11.439 -1.668 3.278 1.00 0.00 C ATOM 849 O PHE A 187 -11.149 -0.483 3.118 1.00 0.00 O ATOM 850 CB PHE A 187 -10.366 -2.963 1.417 1.00 0.00 C ATOM 851 CG PHE A 187 -10.674 -3.902 0.282 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.786 -5.273 0.526 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.882 -3.397 -1.006 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.099 -6.146 -0.522 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.199 -4.267 -2.053 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.307 -5.643 -1.813 1.00 0.00 C ATOM 0 H PHE A 187 -12.285 -0.965 0.872 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.185 -3.483 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.854 -2.074 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.701 -3.439 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.631 -5.659 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.798 -2.336 -1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.180 -7.207 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.361 -3.878 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.550 -6.315 -2.622 1.00 0.00 H new ATOM 866 N THR A 188 -11.584 -2.226 4.483 1.00 0.00 N ATOM 867 CA THR A 188 -11.402 -1.447 5.710 1.00 0.00 C ATOM 868 C THR A 188 -9.940 -1.040 5.894 1.00 0.00 C ATOM 869 O THR A 188 -9.635 -0.129 6.664 1.00 0.00 O ATOM 870 CB THR A 188 -11.873 -2.239 6.958 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.745 -2.666 7.711 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.691 -3.468 6.547 1.00 0.00 C ATOM 0 H THR A 188 -11.825 -3.206 4.635 1.00 0.00 H new ATOM 0 HA THR A 188 -12.013 -0.550 5.609 1.00 0.00 H new ATOM 0 HB THR A 188 -12.499 -1.581 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.993 -3.438 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.010 -4.007 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.567 -3.150 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.078 -4.122 5.927 1.00 0.00 H new ATOM 880 N GLY A 189 -9.040 -1.723 5.198 1.00 0.00 N ATOM 881 CA GLY A 189 -7.620 -1.425 5.313 1.00 0.00 C ATOM 882 C GLY A 189 -6.837 -2.032 4.160 1.00 0.00 C ATOM 883 O GLY A 189 -7.332 -2.915 3.462 1.00 0.00 O ATOM 0 H GLY A 189 -9.266 -2.481 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.472 -0.345 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.240 -1.812 6.258 1.00 0.00 H new ATOM 887 N VAL A 190 -5.609 -1.550 3.958 1.00 0.00 N ATOM 888 CA VAL A 190 -4.772 -2.059 2.873 1.00 0.00 C ATOM 889 C VAL A 190 -3.301 -2.144 3.276 1.00 0.00 C ATOM 890 O VAL A 190 -2.792 -1.294 4.006 1.00 0.00 O ATOM 891 CB VAL A 190 -4.926 -1.154 1.636 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.491 0.275 1.984 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.075 -1.688 0.452 1.00 0.00 C ATOM 0 H VAL A 190 -5.178 -0.818 4.523 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.106 -3.070 2.640 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.974 -1.154 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.601 0.913 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.114 0.658 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.448 0.271 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.200 -1.033 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.024 -1.712 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.403 -2.695 0.193 1.00 0.00 H new ATOM 903 N GLU A 191 -2.621 -3.179 2.777 1.00 0.00 N ATOM 904 CA GLU A 191 -1.199 -3.386 3.059 1.00 0.00 C ATOM 905 C GLU A 191 -0.375 -3.175 1.792 1.00 0.00 C ATOM 906 O GLU A 191 -0.784 -3.584 0.705 1.00 0.00 O ATOM 907 CB GLU A 191 -0.975 -4.802 3.613 1.00 0.00 C ATOM 908 CG GLU A 191 -1.210 -5.873 2.539 1.00 0.00 C ATOM 909 CD GLU A 191 -0.921 -7.254 3.119 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.055 -7.347 3.973 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.570 -8.197 2.701 1.00 0.00 O ATOM 0 H GLU A 191 -3.035 -3.889 2.173 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.877 -2.661 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.042 -4.887 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.647 -4.975 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.239 -5.825 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.566 -5.687 1.679 1.00 0.00 H new ATOM 918 N PHE A 192 0.786 -2.543 1.934 1.00 0.00 N ATOM 919 CA PHE A 192 1.654 -2.295 0.784 1.00 0.00 C ATOM 920 C PHE A 192 3.112 -2.206 1.209 1.00 0.00 C ATOM 921 O PHE A 192 3.425 -1.728 2.301 1.00 0.00 O ATOM 922 CB PHE A 192 1.245 -1.009 0.060 1.00 0.00 C ATOM 923 CG PHE A 192 1.117 0.141 1.035 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.034 0.192 1.923 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.071 1.167 1.036 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.091 1.264 2.813 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.942 2.241 1.926 1.00 0.00 C ATOM 928 CZ PHE A 192 0.862 2.289 2.814 1.00 0.00 C ATOM 0 H PHE A 192 1.146 -2.196 2.823 1.00 0.00 H new ATOM 0 HA PHE A 192 1.541 -3.136 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.985 -0.765 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.296 -1.162 -0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.704 -0.596 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.905 1.130 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.924 1.301 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.677 3.033 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.764 3.117 3.500 1.00 0.00 H new ATOM 938 N VAL A 193 4.001 -2.671 0.335 1.00 0.00 N ATOM 939 CA VAL A 193 5.441 -2.650 0.616 1.00 0.00 C ATOM 940 C VAL A 193 6.107 -1.482 -0.098 1.00 0.00 C ATOM 941 O VAL A 193 5.671 -1.065 -1.171 1.00 0.00 O ATOM 942 CB VAL A 193 6.088 -3.959 0.151 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.609 -3.883 0.340 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.534 -5.122 0.977 1.00 0.00 C ATOM 0 H VAL A 193 3.754 -3.067 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 193 5.577 -2.537 1.692 1.00 0.00 H new ATOM 0 HB VAL A 193 5.862 -4.116 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.064 -4.816 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.008 -3.056 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.837 -3.723 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.993 -6.054 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.759 -4.959 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.454 -5.182 0.842 1.00 0.00 H new ATOM 954 N CYS A 194 7.176 -0.962 0.505 1.00 0.00 N ATOM 955 CA CYS A 194 7.920 0.159 -0.073 1.00 0.00 C ATOM 956 C CYS A 194 9.360 -0.254 -0.357 1.00 0.00 C ATOM 957 O CYS A 194 9.900 -1.136 0.308 1.00 0.00 O ATOM 958 CB CYS A 194 7.917 1.341 0.898 1.00 0.00 C ATOM 959 SG CYS A 194 6.286 2.124 0.893 1.00 0.00 S ATOM 0 H CYS A 194 7.547 -1.299 1.394 1.00 0.00 H new ATOM 0 HA CYS A 194 7.439 0.451 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.165 1.000 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.680 2.064 0.609 1.00 0.00 H new ATOM 964 N CYS A 195 9.980 0.389 -1.348 1.00 0.00 N ATOM 965 CA CYS A 195 11.367 0.076 -1.710 1.00 0.00 C ATOM 966 C CYS A 195 12.134 1.363 -2.060 1.00 0.00 C ATOM 967 O CYS A 195 11.551 2.298 -2.608 1.00 0.00 O ATOM 968 CB CYS A 195 11.373 -0.883 -2.904 1.00 0.00 C ATOM 969 SG CYS A 195 11.007 -2.560 -2.320 1.00 0.00 S ATOM 0 H CYS A 195 9.550 1.123 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 195 11.861 -0.397 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.632 -0.571 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.344 -0.861 -3.399 1.00 0.00 H new ATOM 974 N PRO A 196 13.416 1.441 -1.754 1.00 0.00 N ATOM 975 CA PRO A 196 14.241 2.656 -2.049 1.00 0.00 C ATOM 976 C PRO A 196 14.614 2.768 -3.527 1.00 0.00 C ATOM 977 O PRO A 196 15.403 3.631 -3.912 1.00 0.00 O ATOM 978 CB PRO A 196 15.488 2.446 -1.183 1.00 0.00 C ATOM 979 CG PRO A 196 15.650 0.966 -1.131 1.00 0.00 C ATOM 980 CD PRO A 196 14.230 0.393 -1.100 1.00 0.00 C ATOM 0 HA PRO A 196 13.705 3.580 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.363 2.927 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.357 2.868 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.200 0.602 -1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.213 0.665 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.169 -0.554 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.896 0.205 -0.080 1.00 0.00 H new ATOM 988 N ASN A 197 14.045 1.895 -4.347 1.00 0.00 N ATOM 989 CA ASN A 197 14.331 1.909 -5.777 1.00 0.00 C ATOM 990 C ASN A 197 14.227 3.333 -6.323 1.00 0.00 C ATOM 991 O ASN A 197 15.261 3.914 -6.607 1.00 0.00 O ATOM 992 CB ASN A 197 13.339 0.999 -6.507 1.00 0.00 C ATOM 993 CG ASN A 197 13.741 -0.463 -6.349 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.852 -0.762 -5.910 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.894 -1.395 -6.681 1.00 0.00 N ATOM 996 OXT ASN A 197 13.114 3.818 -6.449 1.00 0.00 O ATOM 0 H ASN A 197 13.388 1.173 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 197 15.345 1.545 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.336 1.152 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.306 1.261 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.150 -2.377 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.975 -1.143 -7.044 1.00 0.00 H new