USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 793 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 190 THR OG1 : rot 180:sc= -0.596 USER MOD Set 1.2: A 191 THR OG1 : rot 115:sc= 1.12 USER MOD Set 2.1: A 187 HIS : no HE2:sc= -0.909 K(o=-3,f=-8.6) USER MOD Set 2.2: A 188 THR OG1 : rot 85:sc= -0.148 USER MOD Set 2.3: A 206 MET CE :methyl -116:sc= -1.98 (180deg=-0.516) USER MOD Set 3.1: A 181 ASN : amide:sc= -0.347 K(o=0.91,f=-12!) USER MOD Set 3.2: A 185 LYS NZ :NH3+ 130:sc= 1.26 (180deg=-0.351) USER MOD Set 4.1: A 134 MET CE :methyl -169:sc= -0.175 (180deg=-0.293) USER MOD Set 4.2: A 217 GLN : amide:sc= -0.0181 K(o=-0.19,f=-0.75) USER MOD Single : A 128 TYR OH : rot 178:sc= 1.16 USER MOD Single : A 129 MET CE :methyl -168:sc= -0.249 (180deg=-0.496) USER MOD Single : A 132 SER OG : rot 180:sc= 0.051 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl -171:sc= -1.67 (180deg=-2) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 ASN : amide:sc= 0.493 K(o=0.49,f=-0.23) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot -171:sc= 0.302 USER MOD Single : A 153 ASN : amide:sc= 0.316 K(o=0.32,f=-4.3!) USER MOD Single : A 154 MET CE :methyl -146:sc= -0.42 (180deg=-2.76!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.0857 K(o=-0.086,f=-3.6!) USER MOD Single : A 160 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.19) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0.0017) USER MOD Single : A 170 SER OG : rot -120:sc= 0.727 USER MOD Single : A 171 ASN : amide:sc= 0.0187 K(o=0.019,f=-2.3) USER MOD Single : A 172 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.051) USER MOD Single : A 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -4.46! C(o=-4.5!,f=-6.2!) USER MOD Single : A 177 HIS :FLIP no HD1:sc= -0.364 F(o=-1.4,f=-0.36) USER MOD Single : A 183 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 186 GLN : amide:sc= 0.184 X(o=0.18,f=-0.17) USER MOD Single : A 192 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN :FLIP amide:sc= -0.232 F(o=-0.84,f=-0.23) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0914 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -139:sc= -0.585 (180deg=-2.22) USER MOD Single : A 212 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 213 MET CE :methyl -152:sc= -0.507 (180deg=-3.58!) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 218 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 223 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 225 TYR OH : rot 58:sc= 0.64 USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 125 5.809 -13.930 -0.724 1.00 0.00 N ATOM 66 CA LEU A 125 6.183 -12.954 0.294 1.00 0.00 C ATOM 67 C LEU A 125 7.479 -13.391 1.001 1.00 0.00 C ATOM 68 O LEU A 125 7.896 -12.781 1.980 1.00 0.00 O ATOM 69 CB LEU A 125 5.001 -12.870 1.293 1.00 0.00 C ATOM 70 CG LEU A 125 3.887 -11.852 0.999 1.00 0.00 C ATOM 71 CD1 LEU A 125 4.279 -10.453 1.478 1.00 0.00 C ATOM 72 CD2 LEU A 125 3.467 -11.857 -0.474 1.00 0.00 C ATOM 0 HA LEU A 125 6.376 -11.976 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.544 -13.858 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.410 -12.644 2.278 1.00 0.00 H new ATOM 0 HG LEU A 125 3.010 -12.161 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.473 -9.754 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.458 -10.473 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.187 -10.134 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.678 -11.121 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.325 -11.607 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.099 -12.847 -0.744 1.00 0.00 H new ATOM 84 N GLY A 126 8.147 -14.420 0.474 1.00 0.00 N ATOM 85 CA GLY A 126 9.284 -15.132 1.047 1.00 0.00 C ATOM 86 C GLY A 126 10.549 -14.312 1.225 1.00 0.00 C ATOM 87 O GLY A 126 11.491 -14.791 1.850 1.00 0.00 O ATOM 0 H GLY A 126 7.884 -14.804 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.989 -15.528 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.513 -15.987 0.410 1.00 0.00 H new ATOM 91 N GLY A 127 10.592 -13.096 0.694 1.00 0.00 N ATOM 92 CA GLY A 127 11.688 -12.165 0.896 1.00 0.00 C ATOM 93 C GLY A 127 11.148 -10.749 1.032 1.00 0.00 C ATOM 94 O GLY A 127 11.919 -9.790 0.955 1.00 0.00 O ATOM 0 H GLY A 127 9.850 -12.725 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.247 -12.437 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.382 -12.220 0.057 1.00 0.00 H new ATOM 98 N TYR A 128 9.831 -10.604 1.214 1.00 0.00 N ATOM 99 CA TYR A 128 9.235 -9.320 1.473 1.00 0.00 C ATOM 100 C TYR A 128 9.424 -8.970 2.960 1.00 0.00 C ATOM 101 O TYR A 128 9.834 -9.804 3.776 1.00 0.00 O ATOM 102 CB TYR A 128 7.773 -9.414 1.020 1.00 0.00 C ATOM 103 CG TYR A 128 7.563 -9.343 -0.491 1.00 0.00 C ATOM 104 CD1 TYR A 128 8.080 -10.352 -1.327 1.00 0.00 C ATOM 105 CD2 TYR A 128 6.848 -8.273 -1.073 1.00 0.00 C ATOM 106 CE1 TYR A 128 7.873 -10.317 -2.711 1.00 0.00 C ATOM 107 CE2 TYR A 128 6.638 -8.228 -2.470 1.00 0.00 C ATOM 108 CZ TYR A 128 7.138 -9.271 -3.292 1.00 0.00 C ATOM 109 OH TYR A 128 6.903 -9.343 -4.633 1.00 0.00 O ATOM 0 H TYR A 128 9.166 -11.376 1.183 1.00 0.00 H new ATOM 0 HA TYR A 128 9.703 -8.504 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.354 -10.351 1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.210 -8.607 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.644 -11.165 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.459 -7.484 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.281 -11.098 -3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.099 -7.402 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 128 6.357 -8.578 -4.911 1.00 0.00 H new ATOM 119 N MET A 129 9.128 -7.722 3.302 1.00 0.00 N ATOM 120 CA MET A 129 8.977 -7.189 4.645 1.00 0.00 C ATOM 121 C MET A 129 7.546 -6.726 4.832 1.00 0.00 C ATOM 122 O MET A 129 6.837 -6.413 3.871 1.00 0.00 O ATOM 123 CB MET A 129 9.927 -6.003 4.871 1.00 0.00 C ATOM 124 CG MET A 129 11.360 -6.391 5.222 1.00 0.00 C ATOM 125 SD MET A 129 12.550 -6.111 3.886 1.00 0.00 S ATOM 126 CE MET A 129 13.011 -7.830 3.604 1.00 0.00 C ATOM 0 H MET A 129 8.977 -7.005 2.593 1.00 0.00 H new ATOM 0 HA MET A 129 9.221 -7.971 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 129 9.942 -5.390 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.527 -5.382 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 129 11.674 -5.824 6.099 1.00 0.00 H new ATOM 0 HG3 MET A 129 11.382 -7.445 5.499 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.892 -7.870 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 129 13.233 -8.308 4.558 1.00 0.00 H new ATOM 0 HE3 MET A 129 12.187 -8.353 3.119 1.00 0.00 H new ATOM 136 N LEU A 130 7.152 -6.666 6.101 1.00 0.00 N ATOM 137 CA LEU A 130 5.895 -6.156 6.582 1.00 0.00 C ATOM 138 C LEU A 130 6.187 -5.036 7.572 1.00 0.00 C ATOM 139 O LEU A 130 6.738 -5.282 8.649 1.00 0.00 O ATOM 140 CB LEU A 130 5.120 -7.318 7.203 1.00 0.00 C ATOM 141 CG LEU A 130 3.733 -6.969 7.785 1.00 0.00 C ATOM 142 CD1 LEU A 130 3.811 -6.896 9.299 1.00 0.00 C ATOM 143 CD2 LEU A 130 2.988 -5.783 7.157 1.00 0.00 C ATOM 0 H LEU A 130 7.748 -6.996 6.860 1.00 0.00 H new ATOM 0 HA LEU A 130 5.279 -5.738 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.990 -8.090 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.728 -7.751 7.998 1.00 0.00 H new ATOM 0 HG LEU A 130 3.087 -7.796 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.829 -6.649 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.134 -7.859 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.526 -6.127 9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.030 -5.648 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.586 -4.878 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.818 -5.979 6.098 1.00 0.00 H new ATOM 155 N GLY A 131 5.838 -3.809 7.194 1.00 0.00 N ATOM 156 CA GLY A 131 6.126 -2.625 7.986 1.00 0.00 C ATOM 157 C GLY A 131 5.141 -2.434 9.137 1.00 0.00 C ATOM 158 O GLY A 131 4.316 -3.303 9.440 1.00 0.00 O ATOM 0 H GLY A 131 5.345 -3.611 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 131 7.137 -2.697 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 131 6.101 -1.746 7.341 1.00 0.00 H new ATOM 162 N SER A 132 5.269 -1.307 9.826 1.00 0.00 N ATOM 163 CA SER A 132 4.498 -0.994 11.008 1.00 0.00 C ATOM 164 C SER A 132 3.060 -0.596 10.696 1.00 0.00 C ATOM 165 O SER A 132 2.681 -0.281 9.571 1.00 0.00 O ATOM 166 CB SER A 132 5.214 0.128 11.760 1.00 0.00 C ATOM 167 OG SER A 132 5.688 1.153 10.902 1.00 0.00 O ATOM 0 H SER A 132 5.928 -0.573 9.567 1.00 0.00 H new ATOM 0 HA SER A 132 4.431 -1.893 11.621 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.532 0.561 12.492 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.053 -0.291 12.315 1.00 0.00 H new ATOM 0 HG SER A 132 6.135 1.844 11.434 1.00 0.00 H new ATOM 173 N ALA A 133 2.249 -0.553 11.749 1.00 0.00 N ATOM 174 CA ALA A 133 1.001 0.192 11.749 1.00 0.00 C ATOM 175 C ALA A 133 1.326 1.655 11.436 1.00 0.00 C ATOM 176 O ALA A 133 2.069 2.294 12.186 1.00 0.00 O ATOM 177 CB ALA A 133 0.334 0.066 13.124 1.00 0.00 C ATOM 0 H ALA A 133 2.442 -1.036 12.626 1.00 0.00 H new ATOM 0 HA ALA A 133 0.313 -0.199 11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.602 0.624 13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 133 0.131 -0.984 13.335 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.998 0.468 13.889 1.00 0.00 H new ATOM 183 N MET A 134 0.803 2.174 10.330 1.00 0.00 N ATOM 184 CA MET A 134 1.077 3.517 9.826 1.00 0.00 C ATOM 185 C MET A 134 -0.232 4.301 9.767 1.00 0.00 C ATOM 186 O MET A 134 -1.318 3.745 9.967 1.00 0.00 O ATOM 187 CB MET A 134 1.756 3.432 8.450 1.00 0.00 C ATOM 188 CG MET A 134 3.084 2.674 8.495 1.00 0.00 C ATOM 189 SD MET A 134 4.566 3.676 8.222 1.00 0.00 S ATOM 190 CE MET A 134 4.731 3.412 6.448 1.00 0.00 C ATOM 0 H MET A 134 0.154 1.654 9.739 1.00 0.00 H new ATOM 0 HA MET A 134 1.761 4.040 10.494 1.00 0.00 H new ATOM 0 HB2 MET A 134 1.084 2.939 7.747 1.00 0.00 H new ATOM 0 HB3 MET A 134 1.930 4.439 8.072 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.171 2.186 9.466 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.057 1.885 7.743 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.698 3.787 6.113 1.00 0.00 H new ATOM 0 HE2 MET A 134 4.660 2.346 6.231 1.00 0.00 H new ATOM 0 HE3 MET A 134 3.935 3.943 5.926 1.00 0.00 H new ATOM 200 N SER A 135 -0.142 5.606 9.527 1.00 0.00 N ATOM 201 CA SER A 135 -1.285 6.498 9.613 1.00 0.00 C ATOM 202 C SER A 135 -1.951 6.613 8.258 1.00 0.00 C ATOM 203 O SER A 135 -1.295 6.773 7.225 1.00 0.00 O ATOM 204 CB SER A 135 -0.835 7.868 10.092 1.00 0.00 C ATOM 205 OG SER A 135 -1.903 8.774 10.274 1.00 0.00 O ATOM 0 H SER A 135 0.728 6.071 9.268 1.00 0.00 H new ATOM 0 HA SER A 135 -2.003 6.092 10.326 1.00 0.00 H new ATOM 0 HB2 SER A 135 -0.297 7.758 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 135 -0.133 8.285 9.370 1.00 0.00 H new ATOM 0 HG SER A 135 -1.552 9.635 10.584 1.00 0.00 H new ATOM 211 N ARG A 136 -3.276 6.599 8.321 1.00 0.00 N ATOM 212 CA ARG A 136 -4.190 6.735 7.202 1.00 0.00 C ATOM 213 C ARG A 136 -3.943 8.080 6.504 1.00 0.00 C ATOM 214 O ARG A 136 -4.249 9.115 7.096 1.00 0.00 O ATOM 215 CB ARG A 136 -5.636 6.471 7.652 1.00 0.00 C ATOM 216 CG ARG A 136 -6.184 7.207 8.892 1.00 0.00 C ATOM 217 CD ARG A 136 -6.931 8.524 8.650 1.00 0.00 C ATOM 218 NE ARG A 136 -8.071 8.377 7.742 1.00 0.00 N ATOM 219 CZ ARG A 136 -8.057 8.645 6.435 1.00 0.00 C ATOM 220 NH1 ARG A 136 -7.013 9.245 5.884 1.00 0.00 N ATOM 221 NH2 ARG A 136 -9.094 8.296 5.684 1.00 0.00 N ATOM 0 H ARG A 136 -3.767 6.486 9.208 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.003 5.975 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -6.290 6.710 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -5.732 5.401 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.856 6.529 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.348 7.410 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -7.282 8.917 9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.238 9.258 8.239 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.948 8.042 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.212 9.506 6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -7.010 9.447 4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.895 7.826 6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.090 8.498 4.684 1.00 0.00 H new ATOM 235 N PRO A 137 -3.346 8.129 5.305 1.00 0.00 N ATOM 236 CA PRO A 137 -3.109 9.365 4.573 1.00 0.00 C ATOM 237 C PRO A 137 -4.410 9.886 4.024 1.00 0.00 C ATOM 238 O PRO A 137 -5.312 9.122 3.682 1.00 0.00 O ATOM 239 CB PRO A 137 -2.115 9.031 3.463 1.00 0.00 C ATOM 240 CG PRO A 137 -2.289 7.525 3.267 1.00 0.00 C ATOM 241 CD PRO A 137 -2.996 6.988 4.496 1.00 0.00 C ATOM 0 HA PRO A 137 -2.701 10.148 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -2.335 9.582 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -1.094 9.283 3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -2.871 7.319 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -1.321 7.040 3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -3.886 6.425 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -2.349 6.306 5.048 1.00 0.00 H new ATOM 249 N MET A 138 -4.546 11.203 3.985 1.00 0.00 N ATOM 250 CA MET A 138 -5.712 11.815 3.425 1.00 0.00 C ATOM 251 C MET A 138 -5.514 11.918 1.920 1.00 0.00 C ATOM 252 O MET A 138 -4.398 12.135 1.443 1.00 0.00 O ATOM 253 CB MET A 138 -5.811 13.162 4.127 1.00 0.00 C ATOM 254 CG MET A 138 -7.032 13.984 3.734 1.00 0.00 C ATOM 255 SD MET A 138 -8.540 13.786 4.727 1.00 0.00 S ATOM 256 CE MET A 138 -8.817 12.007 4.581 1.00 0.00 C ATOM 0 H MET A 138 -3.852 11.860 4.340 1.00 0.00 H new ATOM 0 HA MET A 138 -6.640 11.261 3.569 1.00 0.00 H new ATOM 0 HB2 MET A 138 -5.830 12.997 5.204 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.913 13.740 3.909 1.00 0.00 H new ATOM 0 HG2 MET A 138 -6.750 15.037 3.759 1.00 0.00 H new ATOM 0 HG3 MET A 138 -7.278 13.745 2.699 1.00 0.00 H new ATOM 0 HE1 MET A 138 -9.790 11.755 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 138 -8.790 11.720 3.530 1.00 0.00 H new ATOM 0 HE3 MET A 138 -8.038 11.472 5.123 1.00 0.00 H new ATOM 266 N ILE A 139 -6.599 11.696 1.189 1.00 0.00 N ATOM 267 CA ILE A 139 -6.637 11.586 -0.251 1.00 0.00 C ATOM 268 C ILE A 139 -7.979 12.165 -0.628 1.00 0.00 C ATOM 269 O ILE A 139 -8.955 11.985 0.105 1.00 0.00 O ATOM 270 CB ILE A 139 -6.498 10.111 -0.703 1.00 0.00 C ATOM 271 CG1 ILE A 139 -5.358 9.385 0.045 1.00 0.00 C ATOM 272 CG2 ILE A 139 -6.304 10.034 -2.228 1.00 0.00 C ATOM 273 CD1 ILE A 139 -5.218 7.922 -0.345 1.00 0.00 C ATOM 0 H ILE A 139 -7.520 11.583 1.613 1.00 0.00 H new ATOM 0 HA ILE A 139 -5.814 12.111 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 139 -7.423 9.595 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -4.417 9.898 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -5.537 9.452 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -6.208 8.991 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -7.165 10.479 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -5.402 10.578 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -4.400 7.472 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -6.145 7.395 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -5.009 7.848 -1.412 1.00 0.00 H new ATOM 285 N HIS A 140 -8.009 12.845 -1.765 1.00 0.00 N ATOM 286 CA HIS A 140 -9.210 13.474 -2.271 1.00 0.00 C ATOM 287 C HIS A 140 -9.573 12.853 -3.600 1.00 0.00 C ATOM 288 O HIS A 140 -8.722 12.285 -4.299 1.00 0.00 O ATOM 289 CB HIS A 140 -9.006 14.973 -2.440 1.00 0.00 C ATOM 290 CG HIS A 140 -8.237 15.553 -1.287 1.00 0.00 C ATOM 291 ND1 HIS A 140 -8.698 15.621 0.011 1.00 0.00 N ATOM 292 CD2 HIS A 140 -6.909 15.888 -1.287 1.00 0.00 C ATOM 293 CE1 HIS A 140 -7.671 16.013 0.774 1.00 0.00 C ATOM 294 NE2 HIS A 140 -6.566 16.198 0.030 1.00 0.00 N ATOM 0 H HIS A 140 -7.193 12.974 -2.363 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.018 13.319 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -8.472 15.167 -3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.974 15.467 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -6.252 15.908 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -7.722 16.161 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.653 16.506 0.364 1.00 0.00 H new ATOM 302 N PHE A 141 -10.847 12.940 -3.939 1.00 0.00 N ATOM 303 CA PHE A 141 -11.434 12.339 -5.080 1.00 0.00 C ATOM 304 C PHE A 141 -12.487 13.363 -5.464 1.00 0.00 C ATOM 305 O PHE A 141 -13.282 13.843 -4.667 1.00 0.00 O ATOM 306 CB PHE A 141 -12.012 10.974 -4.734 1.00 0.00 C ATOM 307 CG PHE A 141 -11.033 9.882 -4.313 1.00 0.00 C ATOM 308 CD1 PHE A 141 -10.403 9.902 -3.056 1.00 0.00 C ATOM 309 CD2 PHE A 141 -10.887 8.743 -5.115 1.00 0.00 C ATOM 310 CE1 PHE A 141 -9.732 8.771 -2.563 1.00 0.00 C ATOM 311 CE2 PHE A 141 -10.221 7.597 -4.623 1.00 0.00 C ATOM 312 CZ PHE A 141 -9.666 7.600 -3.327 1.00 0.00 C ATOM 0 H PHE A 141 -11.521 13.465 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.744 12.128 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -12.733 11.108 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -12.566 10.614 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.436 10.802 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -11.287 8.740 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.265 8.805 -1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -10.137 6.716 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.197 6.712 -2.930 1.00 0.00 H new ATOM 322 N GLY A 142 -12.385 13.757 -6.703 1.00 0.00 N ATOM 323 CA GLY A 142 -13.292 14.625 -7.419 1.00 0.00 C ATOM 324 C GLY A 142 -14.577 13.894 -7.774 1.00 0.00 C ATOM 325 O GLY A 142 -15.523 14.547 -8.211 1.00 0.00 O ATOM 0 H GLY A 142 -11.605 13.458 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -13.523 15.499 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.813 14.988 -8.328 1.00 0.00 H new ATOM 329 N ASN A 143 -14.661 12.563 -7.601 1.00 0.00 N ATOM 330 CA ASN A 143 -15.980 11.977 -7.419 1.00 0.00 C ATOM 331 C ASN A 143 -16.316 12.214 -5.975 1.00 0.00 C ATOM 332 O ASN A 143 -15.717 11.596 -5.105 1.00 0.00 O ATOM 333 CB ASN A 143 -16.029 10.478 -7.693 1.00 0.00 C ATOM 334 CG ASN A 143 -16.568 10.223 -9.079 1.00 0.00 C ATOM 335 OD1 ASN A 143 -17.696 10.580 -9.407 1.00 0.00 O ATOM 336 ND2 ASN A 143 -15.756 9.604 -9.908 1.00 0.00 N ATOM 0 H ASN A 143 -13.875 11.913 -7.585 1.00 0.00 H new ATOM 0 HA ASN A 143 -16.678 12.430 -8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -15.031 10.050 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -16.659 9.985 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -16.056 9.404 -10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -14.826 9.324 -9.597 1.00 0.00 H new ATOM 343 N ASP A 144 -17.316 13.038 -5.731 1.00 0.00 N ATOM 344 CA ASP A 144 -17.867 13.292 -4.408 1.00 0.00 C ATOM 345 C ASP A 144 -18.337 11.994 -3.756 1.00 0.00 C ATOM 346 O ASP A 144 -18.314 11.883 -2.529 1.00 0.00 O ATOM 347 CB ASP A 144 -19.068 14.235 -4.625 1.00 0.00 C ATOM 348 CG ASP A 144 -19.257 15.343 -3.602 1.00 0.00 C ATOM 349 OD1 ASP A 144 -18.313 16.140 -3.436 1.00 0.00 O ATOM 350 OD2 ASP A 144 -20.399 15.496 -3.099 1.00 0.00 O ATOM 0 H ASP A 144 -17.784 13.566 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 144 -17.117 13.730 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -18.968 14.693 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -19.976 13.632 -4.645 1.00 0.00 H new ATOM 355 N TRP A 145 -18.751 10.996 -4.550 1.00 0.00 N ATOM 356 CA TRP A 145 -19.110 9.712 -3.977 1.00 0.00 C ATOM 357 C TRP A 145 -17.880 8.928 -3.538 1.00 0.00 C ATOM 358 O TRP A 145 -17.995 8.173 -2.578 1.00 0.00 O ATOM 359 CB TRP A 145 -19.971 8.859 -4.929 1.00 0.00 C ATOM 360 CG TRP A 145 -19.280 8.171 -6.076 1.00 0.00 C ATOM 361 CD1 TRP A 145 -19.266 8.620 -7.349 1.00 0.00 C ATOM 362 CD2 TRP A 145 -18.462 6.952 -6.093 1.00 0.00 C ATOM 363 NE1 TRP A 145 -18.532 7.764 -8.147 1.00 0.00 N ATOM 364 CE2 TRP A 145 -17.982 6.754 -7.421 1.00 0.00 C ATOM 365 CE3 TRP A 145 -18.000 6.029 -5.130 1.00 0.00 C ATOM 366 CZ2 TRP A 145 -17.069 5.760 -7.776 1.00 0.00 C ATOM 367 CZ3 TRP A 145 -17.053 5.042 -5.458 1.00 0.00 C ATOM 368 CH2 TRP A 145 -16.558 4.937 -6.774 1.00 0.00 C ATOM 0 H TRP A 145 -18.841 11.059 -5.564 1.00 0.00 H new ATOM 0 HA TRP A 145 -19.713 9.935 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -20.472 8.096 -4.334 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -20.748 9.501 -5.343 1.00 0.00 H new ATOM 0 HD1 TRP A 145 -19.757 9.518 -7.694 1.00 0.00 H new ATOM 0 HE1 TRP A 145 -18.417 7.875 -9.154 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -18.381 6.082 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 -16.765 5.631 -8.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -16.703 4.360 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -15.784 4.220 -7.005 1.00 0.00 H new ATOM 379 N GLU A 146 -16.740 9.076 -4.224 1.00 0.00 N ATOM 380 CA GLU A 146 -15.483 8.429 -3.874 1.00 0.00 C ATOM 381 C GLU A 146 -14.934 9.127 -2.637 1.00 0.00 C ATOM 382 O GLU A 146 -14.586 8.497 -1.645 1.00 0.00 O ATOM 383 CB GLU A 146 -14.459 8.484 -5.025 1.00 0.00 C ATOM 384 CG GLU A 146 -14.821 7.497 -6.132 1.00 0.00 C ATOM 385 CD GLU A 146 -13.836 7.448 -7.310 1.00 0.00 C ATOM 386 OE1 GLU A 146 -12.673 7.025 -7.117 1.00 0.00 O ATOM 387 OE2 GLU A 146 -14.187 7.876 -8.433 1.00 0.00 O ATOM 0 H GLU A 146 -16.671 9.663 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 146 -15.665 7.372 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -14.420 9.494 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.464 8.256 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -14.894 6.500 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -15.809 7.751 -6.515 1.00 0.00 H new ATOM 394 N ASP A 147 -14.838 10.448 -2.681 1.00 0.00 N ATOM 395 CA ASP A 147 -14.322 11.289 -1.608 1.00 0.00 C ATOM 396 C ASP A 147 -15.014 11.011 -0.265 1.00 0.00 C ATOM 397 O ASP A 147 -14.340 10.757 0.739 1.00 0.00 O ATOM 398 CB ASP A 147 -14.374 12.738 -2.093 1.00 0.00 C ATOM 399 CG ASP A 147 -14.840 13.722 -1.037 1.00 0.00 C ATOM 400 OD1 ASP A 147 -13.973 14.253 -0.296 1.00 0.00 O ATOM 401 OD2 ASP A 147 -16.041 14.045 -1.026 1.00 0.00 O ATOM 0 H ASP A 147 -15.129 10.986 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 147 -13.281 11.053 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -13.382 13.032 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -15.041 12.800 -2.953 1.00 0.00 H new ATOM 406 N ARG A 148 -16.347 10.915 -0.274 1.00 0.00 N ATOM 407 CA ARG A 148 -17.092 10.459 0.901 1.00 0.00 C ATOM 408 C ARG A 148 -16.750 9.005 1.217 1.00 0.00 C ATOM 409 O ARG A 148 -16.520 8.684 2.378 1.00 0.00 O ATOM 410 CB ARG A 148 -18.618 10.689 0.802 1.00 0.00 C ATOM 411 CG ARG A 148 -19.411 9.651 -0.006 1.00 0.00 C ATOM 412 CD ARG A 148 -20.929 9.838 0.037 1.00 0.00 C ATOM 413 NE ARG A 148 -21.466 9.360 1.315 1.00 0.00 N ATOM 414 CZ ARG A 148 -22.696 9.491 1.807 1.00 0.00 C ATOM 415 NH1 ARG A 148 -23.658 10.072 1.102 1.00 0.00 N ATOM 416 NH2 ARG A 148 -22.952 9.030 3.021 1.00 0.00 N ATOM 0 H ARG A 148 -16.929 11.146 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 148 -16.771 11.082 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -19.026 10.720 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -18.788 11.670 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -19.082 9.689 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -19.169 8.656 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -21.176 10.891 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -21.392 9.294 -0.786 1.00 0.00 H new ATOM 0 HE ARG A 148 -20.806 8.858 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -23.461 10.427 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -24.595 10.163 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -22.213 8.583 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -23.889 9.122 3.414 1.00 0.00 H new ATOM 430 N TYR A 149 -16.694 8.132 0.202 1.00 0.00 N ATOM 431 CA TYR A 149 -16.454 6.703 0.337 1.00 0.00 C ATOM 432 C TYR A 149 -15.263 6.473 1.245 1.00 0.00 C ATOM 433 O TYR A 149 -15.372 5.646 2.149 1.00 0.00 O ATOM 434 CB TYR A 149 -16.180 6.037 -1.024 1.00 0.00 C ATOM 435 CG TYR A 149 -16.997 4.825 -1.394 1.00 0.00 C ATOM 436 CD1 TYR A 149 -18.389 4.950 -1.539 1.00 0.00 C ATOM 437 CD2 TYR A 149 -16.358 3.620 -1.734 1.00 0.00 C ATOM 438 CE1 TYR A 149 -19.139 3.886 -2.066 1.00 0.00 C ATOM 439 CE2 TYR A 149 -17.109 2.537 -2.208 1.00 0.00 C ATOM 440 CZ TYR A 149 -18.497 2.671 -2.400 1.00 0.00 C ATOM 441 OH TYR A 149 -19.187 1.610 -2.900 1.00 0.00 O ATOM 0 H TYR A 149 -16.820 8.420 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 149 -17.353 6.256 0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -16.327 6.789 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -15.128 5.752 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -18.882 5.865 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -15.287 3.529 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -20.203 3.995 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -16.623 1.598 -2.426 1.00 0.00 H new ATOM 0 HH TYR A 149 -18.569 0.868 -3.068 1.00 0.00 H new ATOM 451 N TYR A 150 -14.117 7.126 1.004 1.00 0.00 N ATOM 452 CA TYR A 150 -12.960 6.887 1.838 1.00 0.00 C ATOM 453 C TYR A 150 -13.207 7.438 3.233 1.00 0.00 C ATOM 454 O TYR A 150 -13.001 6.724 4.211 1.00 0.00 O ATOM 455 CB TYR A 150 -11.699 7.516 1.260 1.00 0.00 C ATOM 456 CG TYR A 150 -10.420 7.256 2.008 1.00 0.00 C ATOM 457 CD1 TYR A 150 -10.294 6.123 2.826 1.00 0.00 C ATOM 458 CD2 TYR A 150 -9.348 8.149 1.853 1.00 0.00 C ATOM 459 CE1 TYR A 150 -9.099 5.868 3.498 1.00 0.00 C ATOM 460 CE2 TYR A 150 -8.152 7.912 2.547 1.00 0.00 C ATOM 461 CZ TYR A 150 -8.028 6.776 3.381 1.00 0.00 C ATOM 462 OH TYR A 150 -6.939 6.633 4.175 1.00 0.00 O ATOM 0 H TYR A 150 -13.980 7.805 0.255 1.00 0.00 H new ATOM 0 HA TYR A 150 -12.806 5.809 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -11.576 7.158 0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -11.849 8.594 1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -11.127 5.445 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -9.443 9.009 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -8.995 4.980 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -7.324 8.598 2.444 1.00 0.00 H new ATOM 0 HH TYR A 150 -6.353 7.411 4.070 1.00 0.00 H new ATOM 472 N ARG A 151 -13.622 8.704 3.322 1.00 0.00 N ATOM 473 CA ARG A 151 -13.830 9.400 4.593 1.00 0.00 C ATOM 474 C ARG A 151 -14.732 8.599 5.539 1.00 0.00 C ATOM 475 O ARG A 151 -14.481 8.581 6.748 1.00 0.00 O ATOM 476 CB ARG A 151 -14.401 10.795 4.272 1.00 0.00 C ATOM 477 CG ARG A 151 -13.357 11.773 3.701 1.00 0.00 C ATOM 478 CD ARG A 151 -12.554 12.486 4.800 1.00 0.00 C ATOM 479 NE ARG A 151 -13.311 13.599 5.391 1.00 0.00 N ATOM 480 CZ ARG A 151 -13.127 14.185 6.576 1.00 0.00 C ATOM 481 NH1 ARG A 151 -12.253 13.700 7.452 1.00 0.00 N ATOM 482 NH2 ARG A 151 -13.826 15.271 6.888 1.00 0.00 N ATOM 0 H ARG A 151 -13.825 9.280 2.505 1.00 0.00 H new ATOM 0 HA ARG A 151 -12.885 9.507 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -15.216 10.689 3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -14.827 11.221 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.672 11.229 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -13.860 12.517 3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.290 11.771 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -11.620 12.862 4.382 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.073 13.970 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -11.710 12.867 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -12.125 14.161 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.499 15.653 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -13.690 15.723 7.792 1.00 0.00 H new ATOM 496 N GLU A 152 -15.740 7.921 5.009 1.00 0.00 N ATOM 497 CA GLU A 152 -16.634 7.061 5.762 1.00 0.00 C ATOM 498 C GLU A 152 -15.982 5.712 6.052 1.00 0.00 C ATOM 499 O GLU A 152 -15.864 5.308 7.206 1.00 0.00 O ATOM 500 CB GLU A 152 -17.947 6.902 4.990 1.00 0.00 C ATOM 501 CG GLU A 152 -18.668 8.252 4.914 1.00 0.00 C ATOM 502 CD GLU A 152 -20.028 8.151 4.245 1.00 0.00 C ATOM 503 OE1 GLU A 152 -20.106 7.757 3.063 1.00 0.00 O ATOM 504 OE2 GLU A 152 -21.023 8.571 4.871 1.00 0.00 O ATOM 0 H GLU A 152 -15.963 7.957 4.014 1.00 0.00 H new ATOM 0 HA GLU A 152 -16.849 7.519 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -17.747 6.529 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -18.583 6.166 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -18.791 8.651 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -18.048 8.960 4.364 1.00 0.00 H new ATOM 511 N ASN A 153 -15.540 4.990 5.020 1.00 0.00 N ATOM 512 CA ASN A 153 -15.241 3.558 5.124 1.00 0.00 C ATOM 513 C ASN A 153 -13.807 3.307 5.594 1.00 0.00 C ATOM 514 O ASN A 153 -13.301 2.192 5.515 1.00 0.00 O ATOM 515 CB ASN A 153 -15.508 2.874 3.777 1.00 0.00 C ATOM 516 CG ASN A 153 -16.995 2.789 3.473 1.00 0.00 C ATOM 517 OD1 ASN A 153 -17.675 1.878 3.934 1.00 0.00 O ATOM 518 ND2 ASN A 153 -17.554 3.755 2.768 1.00 0.00 N ATOM 0 H ASN A 153 -15.379 5.379 4.091 1.00 0.00 H new ATOM 0 HA ASN A 153 -15.899 3.127 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -15.005 3.426 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -15.081 1.871 3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -18.560 3.749 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -16.980 4.508 2.389 1.00 0.00 H new ATOM 525 N MET A 154 -13.120 4.346 6.062 1.00 0.00 N ATOM 526 CA MET A 154 -11.676 4.376 6.280 1.00 0.00 C ATOM 527 C MET A 154 -11.187 3.256 7.205 1.00 0.00 C ATOM 528 O MET A 154 -10.077 2.755 7.024 1.00 0.00 O ATOM 529 CB MET A 154 -11.236 5.761 6.790 1.00 0.00 C ATOM 530 CG MET A 154 -11.907 6.236 8.086 1.00 0.00 C ATOM 531 SD MET A 154 -10.923 7.481 8.966 1.00 0.00 S ATOM 532 CE MET A 154 -11.282 8.949 7.971 1.00 0.00 C ATOM 0 H MET A 154 -13.572 5.226 6.310 1.00 0.00 H new ATOM 0 HA MET A 154 -11.204 4.194 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.157 5.745 6.946 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.434 6.495 6.009 1.00 0.00 H new ATOM 0 HG2 MET A 154 -12.887 6.652 7.852 1.00 0.00 H new ATOM 0 HG3 MET A 154 -12.072 5.380 8.740 1.00 0.00 H new ATOM 0 HE1 MET A 154 -10.403 9.592 7.941 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.545 8.646 6.957 1.00 0.00 H new ATOM 0 HE3 MET A 154 -12.115 9.494 8.414 1.00 0.00 H new ATOM 542 N TYR A 155 -12.007 2.840 8.169 1.00 0.00 N ATOM 543 CA TYR A 155 -11.700 1.769 9.111 1.00 0.00 C ATOM 544 C TYR A 155 -11.582 0.396 8.435 1.00 0.00 C ATOM 545 O TYR A 155 -10.975 -0.512 8.992 1.00 0.00 O ATOM 546 CB TYR A 155 -12.802 1.746 10.179 1.00 0.00 C ATOM 547 CG TYR A 155 -14.188 1.390 9.658 1.00 0.00 C ATOM 548 CD1 TYR A 155 -15.014 2.371 9.068 1.00 0.00 C ATOM 549 CD2 TYR A 155 -14.650 0.063 9.755 1.00 0.00 C ATOM 550 CE1 TYR A 155 -16.281 2.026 8.566 1.00 0.00 C ATOM 551 CE2 TYR A 155 -15.924 -0.283 9.270 1.00 0.00 C ATOM 552 CZ TYR A 155 -16.742 0.697 8.665 1.00 0.00 C ATOM 553 OH TYR A 155 -17.966 0.357 8.179 1.00 0.00 O ATOM 0 H TYR A 155 -12.928 3.251 8.319 1.00 0.00 H new ATOM 0 HA TYR A 155 -10.726 1.970 9.557 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -12.525 1.029 10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -12.848 2.726 10.654 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -14.671 3.393 9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -14.023 -0.693 10.204 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -16.902 2.779 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -16.277 -1.300 9.360 1.00 0.00 H new ATOM 0 HH TYR A 155 -18.124 -0.599 8.329 1.00 0.00 H new ATOM 563 N ARG A 156 -12.163 0.221 7.246 1.00 0.00 N ATOM 564 CA ARG A 156 -12.199 -1.056 6.542 1.00 0.00 C ATOM 565 C ARG A 156 -10.859 -1.362 5.884 1.00 0.00 C ATOM 566 O ARG A 156 -10.647 -2.501 5.470 1.00 0.00 O ATOM 567 CB ARG A 156 -13.309 -1.030 5.478 1.00 0.00 C ATOM 568 CG ARG A 156 -14.703 -0.758 6.068 1.00 0.00 C ATOM 569 CD ARG A 156 -15.748 -0.462 4.986 1.00 0.00 C ATOM 570 NE ARG A 156 -16.661 -1.595 4.737 1.00 0.00 N ATOM 571 CZ ARG A 156 -16.412 -2.667 3.971 1.00 0.00 C ATOM 572 NH1 ARG A 156 -15.304 -2.743 3.246 1.00 0.00 N ATOM 573 NH2 ARG A 156 -17.273 -3.678 3.936 1.00 0.00 N ATOM 0 H ARG A 156 -12.628 0.975 6.741 1.00 0.00 H new ATOM 0 HA ARG A 156 -12.406 -1.841 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -13.078 -0.263 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -13.323 -1.985 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -15.022 -1.622 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -14.645 0.087 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -16.332 0.409 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -15.238 -0.203 4.058 1.00 0.00 H new ATOM 0 HE ARG A 156 -17.573 -1.559 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -14.628 -1.980 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -15.128 -3.565 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -18.127 -3.640 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -17.080 -4.492 3.352 1.00 0.00 H new ATOM 587 N TYR A 157 -9.960 -0.387 5.735 1.00 0.00 N ATOM 588 CA TYR A 157 -8.708 -0.591 5.017 1.00 0.00 C ATOM 589 C TYR A 157 -7.600 -1.006 5.975 1.00 0.00 C ATOM 590 O TYR A 157 -7.620 -0.599 7.139 1.00 0.00 O ATOM 591 CB TYR A 157 -8.317 0.686 4.271 1.00 0.00 C ATOM 592 CG TYR A 157 -9.336 1.024 3.208 1.00 0.00 C ATOM 593 CD1 TYR A 157 -9.626 0.077 2.210 1.00 0.00 C ATOM 594 CD2 TYR A 157 -10.069 2.220 3.277 1.00 0.00 C ATOM 595 CE1 TYR A 157 -10.662 0.307 1.300 1.00 0.00 C ATOM 596 CE2 TYR A 157 -11.102 2.469 2.356 1.00 0.00 C ATOM 597 CZ TYR A 157 -11.410 1.493 1.375 1.00 0.00 C ATOM 598 OH TYR A 157 -12.447 1.626 0.514 1.00 0.00 O ATOM 0 H TYR A 157 -10.080 0.556 6.106 1.00 0.00 H new ATOM 0 HA TYR A 157 -8.850 -1.393 4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -8.234 1.513 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -7.336 0.558 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -9.046 -0.832 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -9.839 2.950 4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -10.887 -0.427 0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -11.656 3.395 2.396 1.00 0.00 H new ATOM 0 HH TYR A 157 -12.888 2.488 0.664 1.00 0.00 H new ATOM 608 N PRO A 158 -6.620 -1.794 5.510 1.00 0.00 N ATOM 609 CA PRO A 158 -5.448 -2.118 6.303 1.00 0.00 C ATOM 610 C PRO A 158 -4.622 -0.865 6.594 1.00 0.00 C ATOM 611 O PRO A 158 -4.580 0.085 5.803 1.00 0.00 O ATOM 612 CB PRO A 158 -4.676 -3.155 5.490 1.00 0.00 C ATOM 613 CG PRO A 158 -5.208 -3.028 4.053 1.00 0.00 C ATOM 614 CD PRO A 158 -6.616 -2.490 4.234 1.00 0.00 C ATOM 0 HA PRO A 158 -5.711 -2.519 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.603 -2.966 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -4.837 -4.160 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.595 -2.351 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -5.210 -3.990 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.883 -1.815 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.346 -3.299 4.229 1.00 0.00 H new ATOM 622 N ASN A 159 -3.920 -0.886 7.726 1.00 0.00 N ATOM 623 CA ASN A 159 -3.103 0.219 8.228 1.00 0.00 C ATOM 624 C ASN A 159 -1.607 -0.099 8.146 1.00 0.00 C ATOM 625 O ASN A 159 -0.808 0.702 8.606 1.00 0.00 O ATOM 626 CB ASN A 159 -3.501 0.557 9.672 1.00 0.00 C ATOM 627 CG ASN A 159 -3.118 -0.526 10.669 1.00 0.00 C ATOM 628 OD1 ASN A 159 -3.266 -1.719 10.404 1.00 0.00 O ATOM 629 ND2 ASN A 159 -2.682 -0.142 11.852 1.00 0.00 N ATOM 0 H ASN A 159 -3.904 -1.700 8.340 1.00 0.00 H new ATOM 0 HA ASN A 159 -3.289 1.086 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -3.026 1.494 9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -4.578 0.718 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -2.461 -0.838 12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -2.565 0.851 12.055 1.00 0.00 H new ATOM 636 N GLN A 160 -1.213 -1.230 7.562 1.00 0.00 N ATOM 637 CA GLN A 160 0.190 -1.589 7.303 1.00 0.00 C ATOM 638 C GLN A 160 0.496 -1.479 5.805 1.00 0.00 C ATOM 639 O GLN A 160 -0.424 -1.189 5.029 1.00 0.00 O ATOM 640 CB GLN A 160 0.422 -3.012 7.841 1.00 0.00 C ATOM 641 CG GLN A 160 0.915 -2.935 9.279 1.00 0.00 C ATOM 642 CD GLN A 160 0.927 -4.256 10.024 1.00 0.00 C ATOM 643 OE1 GLN A 160 -0.077 -4.954 10.137 1.00 0.00 O ATOM 644 NE2 GLN A 160 2.048 -4.560 10.657 1.00 0.00 N ATOM 0 H GLN A 160 -1.872 -1.942 7.247 1.00 0.00 H new ATOM 0 HA GLN A 160 0.869 -0.904 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 160 -0.503 -3.586 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 160 1.153 -3.532 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.925 -2.526 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.286 -2.232 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 160 2.871 -3.967 10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.089 -5.387 11.252 1.00 0.00 H new ATOM 653 N VAL A 161 1.745 -1.713 5.383 1.00 0.00 N ATOM 654 CA VAL A 161 2.076 -2.100 4.005 1.00 0.00 C ATOM 655 C VAL A 161 3.133 -3.221 3.993 1.00 0.00 C ATOM 656 O VAL A 161 3.916 -3.344 4.943 1.00 0.00 O ATOM 657 CB VAL A 161 2.533 -0.883 3.167 1.00 0.00 C ATOM 658 CG1 VAL A 161 1.443 0.190 3.030 1.00 0.00 C ATOM 659 CG2 VAL A 161 3.796 -0.187 3.698 1.00 0.00 C ATOM 0 H VAL A 161 2.560 -1.639 5.992 1.00 0.00 H new ATOM 0 HA VAL A 161 1.170 -2.487 3.539 1.00 0.00 H new ATOM 0 HB VAL A 161 2.756 -1.327 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 161 1.822 1.019 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.569 -0.240 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.164 0.554 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.046 0.655 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 161 3.614 0.174 4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 161 4.625 -0.895 3.709 1.00 0.00 H new ATOM 669 N TYR A 162 3.184 -3.987 2.897 1.00 0.00 N ATOM 670 CA TYR A 162 4.147 -5.041 2.585 1.00 0.00 C ATOM 671 C TYR A 162 4.949 -4.616 1.355 1.00 0.00 C ATOM 672 O TYR A 162 4.386 -4.043 0.428 1.00 0.00 O ATOM 673 CB TYR A 162 3.408 -6.344 2.260 1.00 0.00 C ATOM 674 CG TYR A 162 2.689 -7.010 3.412 1.00 0.00 C ATOM 675 CD1 TYR A 162 3.376 -7.935 4.219 1.00 0.00 C ATOM 676 CD2 TYR A 162 1.332 -6.731 3.661 1.00 0.00 C ATOM 677 CE1 TYR A 162 2.703 -8.609 5.253 1.00 0.00 C ATOM 678 CE2 TYR A 162 0.666 -7.375 4.718 1.00 0.00 C ATOM 679 CZ TYR A 162 1.334 -8.351 5.487 1.00 0.00 C ATOM 680 OH TYR A 162 0.660 -9.041 6.449 1.00 0.00 O ATOM 0 H TYR A 162 2.499 -3.875 2.150 1.00 0.00 H new ATOM 0 HA TYR A 162 4.804 -5.200 3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 162 2.680 -6.138 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 162 4.128 -7.053 1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 162 4.424 -8.128 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 162 0.803 -6.023 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 162 3.232 -9.323 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -0.360 -7.122 4.942 1.00 0.00 H new ATOM 0 HH TYR A 162 -0.271 -8.738 6.477 1.00 0.00 H new ATOM 690 N TYR A 163 6.247 -4.906 1.319 1.00 0.00 N ATOM 691 CA TYR A 163 7.186 -4.411 0.309 1.00 0.00 C ATOM 692 C TYR A 163 8.396 -5.345 0.251 1.00 0.00 C ATOM 693 O TYR A 163 8.478 -6.285 1.035 1.00 0.00 O ATOM 694 CB TYR A 163 7.617 -2.978 0.677 1.00 0.00 C ATOM 695 CG TYR A 163 8.029 -2.779 2.130 1.00 0.00 C ATOM 696 CD1 TYR A 163 7.035 -2.554 3.099 1.00 0.00 C ATOM 697 CD2 TYR A 163 9.383 -2.823 2.520 1.00 0.00 C ATOM 698 CE1 TYR A 163 7.383 -2.416 4.449 1.00 0.00 C ATOM 699 CE2 TYR A 163 9.744 -2.649 3.870 1.00 0.00 C ATOM 700 CZ TYR A 163 8.736 -2.458 4.843 1.00 0.00 C ATOM 701 OH TYR A 163 9.028 -2.272 6.156 1.00 0.00 O ATOM 0 H TYR A 163 6.690 -5.510 2.011 1.00 0.00 H new ATOM 0 HA TYR A 163 6.712 -4.391 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 163 8.451 -2.691 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 163 6.794 -2.299 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 163 5.999 -2.487 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 163 10.149 -2.991 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 163 6.611 -2.277 5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 163 10.784 -2.661 4.160 1.00 0.00 H new ATOM 0 HH TYR A 163 9.998 -2.327 6.286 1.00 0.00 H new ATOM 711 N ARG A 164 9.345 -5.112 -0.656 1.00 0.00 N ATOM 712 CA ARG A 164 10.661 -5.766 -0.639 1.00 0.00 C ATOM 713 C ARG A 164 11.730 -4.768 -0.194 1.00 0.00 C ATOM 714 O ARG A 164 11.477 -3.559 -0.239 1.00 0.00 O ATOM 715 CB ARG A 164 10.974 -6.343 -2.029 1.00 0.00 C ATOM 716 CG ARG A 164 10.389 -7.752 -2.203 1.00 0.00 C ATOM 717 CD ARG A 164 10.887 -8.448 -3.476 1.00 0.00 C ATOM 718 NE ARG A 164 10.632 -7.663 -4.688 1.00 0.00 N ATOM 719 CZ ARG A 164 11.503 -6.973 -5.426 1.00 0.00 C ATOM 720 NH1 ARG A 164 12.806 -6.941 -5.146 1.00 0.00 N ATOM 721 NH2 ARG A 164 11.016 -6.291 -6.448 1.00 0.00 N ATOM 0 H ARG A 164 9.225 -4.460 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 164 10.652 -6.591 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.569 -5.683 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.054 -6.377 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 164 10.651 -8.359 -1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 164 9.301 -7.688 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 164 11.957 -8.635 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 164 10.400 -9.419 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 164 9.664 -7.642 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 164 13.168 -7.456 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 164 13.441 -6.402 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 164 10.015 -6.308 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 164 11.641 -5.747 -7.043 1.00 0.00 H new ATOM 735 N PRO A 165 12.927 -5.241 0.192 1.00 0.00 N ATOM 736 CA PRO A 165 13.986 -4.385 0.710 1.00 0.00 C ATOM 737 C PRO A 165 14.487 -3.444 -0.387 1.00 0.00 C ATOM 738 O PRO A 165 14.350 -3.730 -1.584 1.00 0.00 O ATOM 739 CB PRO A 165 15.071 -5.334 1.238 1.00 0.00 C ATOM 740 CG PRO A 165 14.827 -6.645 0.490 1.00 0.00 C ATOM 741 CD PRO A 165 13.330 -6.638 0.194 1.00 0.00 C ATOM 0 HA PRO A 165 13.647 -3.733 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 165 16.070 -4.944 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 165 14.989 -5.471 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 165 15.414 -6.695 -0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 165 15.109 -7.507 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 165 13.121 -7.106 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 165 12.781 -7.201 0.948 1.00 0.00 H new ATOM 749 N VAL A 166 15.028 -2.290 0.007 1.00 0.00 N ATOM 750 CA VAL A 166 15.554 -1.316 -0.946 1.00 0.00 C ATOM 751 C VAL A 166 16.991 -1.694 -1.297 1.00 0.00 C ATOM 752 O VAL A 166 17.832 -1.912 -0.423 1.00 0.00 O ATOM 753 CB VAL A 166 15.405 0.126 -0.424 1.00 0.00 C ATOM 754 CG1 VAL A 166 15.925 1.171 -1.419 1.00 0.00 C ATOM 755 CG2 VAL A 166 13.921 0.458 -0.237 1.00 0.00 C ATOM 0 H VAL A 166 15.113 -2.008 0.984 1.00 0.00 H new ATOM 0 HA VAL A 166 14.969 -1.342 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 166 15.976 0.167 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 166 15.795 2.169 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 166 16.983 0.994 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 166 15.367 1.094 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 166 13.820 1.479 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 166 13.404 0.365 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 166 13.481 -0.233 0.482 1.00 0.00 H new ATOM 765 N ASP A 167 17.254 -1.775 -2.594 1.00 0.00 N ATOM 766 CA ASP A 167 18.500 -2.173 -3.218 1.00 0.00 C ATOM 767 C ASP A 167 18.694 -1.293 -4.466 1.00 0.00 C ATOM 768 O ASP A 167 18.074 -0.239 -4.635 1.00 0.00 O ATOM 769 CB ASP A 167 18.431 -3.683 -3.534 1.00 0.00 C ATOM 770 CG ASP A 167 19.799 -4.370 -3.591 1.00 0.00 C ATOM 771 OD1 ASP A 167 20.807 -3.733 -3.970 1.00 0.00 O ATOM 772 OD2 ASP A 167 19.884 -5.575 -3.268 1.00 0.00 O ATOM 0 H ASP A 167 16.543 -1.545 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 167 19.364 -2.027 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 167 17.820 -4.175 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 167 17.926 -3.821 -4.490 1.00 0.00 H new ATOM 777 N GLN A 168 19.573 -1.701 -5.368 1.00 0.00 N ATOM 778 CA GLN A 168 20.012 -1.003 -6.572 1.00 0.00 C ATOM 779 C GLN A 168 18.895 -0.633 -7.558 1.00 0.00 C ATOM 780 O GLN A 168 19.118 0.170 -8.464 1.00 0.00 O ATOM 781 CB GLN A 168 21.040 -1.900 -7.263 1.00 0.00 C ATOM 782 CG GLN A 168 20.421 -3.208 -7.785 1.00 0.00 C ATOM 783 CD GLN A 168 21.475 -4.286 -7.949 1.00 0.00 C ATOM 784 OE1 GLN A 168 21.947 -4.848 -6.965 1.00 0.00 O ATOM 785 NE2 GLN A 168 21.859 -4.599 -9.171 1.00 0.00 N ATOM 0 H GLN A 168 20.038 -2.604 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 168 20.426 -0.045 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 168 21.491 -1.358 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 168 21.842 -2.135 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 168 19.651 -3.551 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 168 19.932 -3.025 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 168 21.452 -4.117 -9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 168 22.563 -5.323 -9.315 1.00 0.00 H new ATOM 794 N ALA A 169 17.707 -1.218 -7.427 1.00 0.00 N ATOM 795 CA ALA A 169 16.563 -0.962 -8.278 1.00 0.00 C ATOM 796 C ALA A 169 15.326 -1.177 -7.443 1.00 0.00 C ATOM 797 O ALA A 169 14.743 -2.262 -7.432 1.00 0.00 O ATOM 798 CB ALA A 169 16.525 -1.882 -9.487 1.00 0.00 C ATOM 0 H ALA A 169 17.515 -1.906 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 169 16.624 0.057 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 169 15.649 -1.650 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 169 17.427 -1.738 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 169 16.472 -2.919 -9.154 1.00 0.00 H new ATOM 804 N SER A 170 14.942 -0.127 -6.736 1.00 0.00 N ATOM 805 CA SER A 170 13.950 -0.182 -5.686 1.00 0.00 C ATOM 806 C SER A 170 13.219 1.155 -5.532 1.00 0.00 C ATOM 807 O SER A 170 12.671 1.443 -4.474 1.00 0.00 O ATOM 808 CB SER A 170 14.642 -0.551 -4.383 1.00 0.00 C ATOM 809 OG SER A 170 15.132 -1.874 -4.467 1.00 0.00 O ATOM 0 H SER A 170 15.323 0.808 -6.883 1.00 0.00 H new ATOM 0 HA SER A 170 13.204 -0.933 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 170 15.462 0.140 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 170 13.944 -0.463 -3.551 1.00 0.00 H new ATOM 0 HG SER A 170 14.720 -2.421 -3.766 1.00 0.00 H new ATOM 815 N ASN A 171 13.305 2.021 -6.546 1.00 0.00 N ATOM 816 CA ASN A 171 12.691 3.349 -6.570 1.00 0.00 C ATOM 817 C ASN A 171 11.192 3.268 -6.312 1.00 0.00 C ATOM 818 O ASN A 171 10.592 2.212 -6.500 1.00 0.00 O ATOM 819 CB ASN A 171 12.950 4.045 -7.916 1.00 0.00 C ATOM 820 CG ASN A 171 12.627 3.131 -9.088 1.00 0.00 C ATOM 821 OD1 ASN A 171 11.487 2.771 -9.354 1.00 0.00 O ATOM 822 ND2 ASN A 171 13.656 2.683 -9.775 1.00 0.00 N ATOM 0 H ASN A 171 13.821 1.809 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 171 13.148 3.936 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 171 12.345 4.949 -7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 171 13.994 4.355 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 171 13.510 2.026 -10.542 1.00 0.00 H new ATOM 0 HD22 ASN A 171 14.599 2.993 -9.541 1.00 0.00 H new ATOM 829 N GLN A 172 10.572 4.414 -5.996 1.00 0.00 N ATOM 830 CA GLN A 172 9.141 4.536 -5.712 1.00 0.00 C ATOM 831 C GLN A 172 8.352 3.762 -6.749 1.00 0.00 C ATOM 832 O GLN A 172 7.470 3.002 -6.392 1.00 0.00 O ATOM 833 CB GLN A 172 8.692 6.011 -5.762 1.00 0.00 C ATOM 834 CG GLN A 172 7.176 6.165 -5.591 1.00 0.00 C ATOM 835 CD GLN A 172 6.690 7.607 -5.607 1.00 0.00 C ATOM 836 OE1 GLN A 172 5.732 7.931 -6.297 1.00 0.00 O ATOM 837 NE2 GLN A 172 7.295 8.483 -4.824 1.00 0.00 N ATOM 0 H GLN A 172 11.068 5.303 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 172 8.959 4.139 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 172 9.202 6.570 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 172 8.994 6.448 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 172 6.674 5.615 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 172 6.879 5.704 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 172 8.092 8.195 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 172 6.965 9.448 -4.787 1.00 0.00 H new ATOM 846 N ASN A 173 8.677 3.962 -8.017 1.00 0.00 N ATOM 847 CA ASN A 173 7.976 3.380 -9.137 1.00 0.00 C ATOM 848 C ASN A 173 7.799 1.876 -8.985 1.00 0.00 C ATOM 849 O ASN A 173 6.667 1.395 -9.068 1.00 0.00 O ATOM 850 CB ASN A 173 8.678 3.762 -10.444 1.00 0.00 C ATOM 851 CG ASN A 173 7.666 4.381 -11.368 1.00 0.00 C ATOM 852 OD1 ASN A 173 7.534 5.600 -11.432 1.00 0.00 O ATOM 853 ND2 ASN A 173 6.830 3.577 -11.987 1.00 0.00 N ATOM 0 H ASN A 173 9.460 4.552 -8.297 1.00 0.00 H new ATOM 0 HA ASN A 173 6.966 3.790 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 173 9.489 4.463 -10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 173 9.123 2.881 -10.906 1.00 0.00 H new ATOM 0 HD21 ASN A 173 6.058 3.964 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 173 6.953 2.566 -11.924 1.00 0.00 H new ATOM 860 N ASN A 174 8.895 1.149 -8.732 1.00 0.00 N ATOM 861 CA ASN A 174 8.825 -0.291 -8.509 1.00 0.00 C ATOM 862 C ASN A 174 8.455 -0.673 -7.077 1.00 0.00 C ATOM 863 O ASN A 174 7.945 -1.769 -6.869 1.00 0.00 O ATOM 864 CB ASN A 174 10.086 -1.024 -8.962 1.00 0.00 C ATOM 865 CG ASN A 174 11.235 -0.987 -7.991 1.00 0.00 C ATOM 866 OD1 ASN A 174 11.182 -1.519 -6.885 1.00 0.00 O ATOM 867 ND2 ASN A 174 12.346 -0.448 -8.441 1.00 0.00 N ATOM 0 H ASN A 174 9.836 1.538 -8.678 1.00 0.00 H new ATOM 0 HA ASN A 174 8.004 -0.625 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 174 9.831 -2.065 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 174 10.417 -0.594 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 174 13.190 -0.466 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.364 -0.012 -9.363 1.00 0.00 H new ATOM 874 N PHE A 175 8.678 0.204 -6.101 1.00 0.00 N ATOM 875 CA PHE A 175 8.428 -0.056 -4.699 1.00 0.00 C ATOM 876 C PHE A 175 6.933 -0.086 -4.506 1.00 0.00 C ATOM 877 O PHE A 175 6.419 -1.074 -4.011 1.00 0.00 O ATOM 878 CB PHE A 175 9.088 0.993 -3.794 1.00 0.00 C ATOM 879 CG PHE A 175 9.139 0.575 -2.335 1.00 0.00 C ATOM 880 CD1 PHE A 175 8.002 0.646 -1.502 1.00 0.00 C ATOM 881 CD2 PHE A 175 10.363 0.155 -1.790 1.00 0.00 C ATOM 882 CE1 PHE A 175 8.126 0.374 -0.125 1.00 0.00 C ATOM 883 CE2 PHE A 175 10.466 -0.171 -0.427 1.00 0.00 C ATOM 884 CZ PHE A 175 9.355 -0.032 0.414 1.00 0.00 C ATOM 0 H PHE A 175 9.048 1.138 -6.276 1.00 0.00 H new ATOM 0 HA PHE A 175 8.869 -1.012 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 175 10.102 1.182 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.541 1.932 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.040 0.908 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 175 11.234 0.082 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 175 7.267 0.479 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 175 11.403 -0.529 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 175 9.444 -0.236 1.471 1.00 0.00 H new ATOM 894 N VAL A 176 6.251 0.974 -4.935 1.00 0.00 N ATOM 895 CA VAL A 176 4.814 1.103 -4.992 1.00 0.00 C ATOM 896 C VAL A 176 4.249 0.015 -5.909 1.00 0.00 C ATOM 897 O VAL A 176 3.225 -0.540 -5.547 1.00 0.00 O ATOM 898 CB VAL A 176 4.451 2.543 -5.417 1.00 0.00 C ATOM 899 CG1 VAL A 176 2.950 2.744 -5.606 1.00 0.00 C ATOM 900 CG2 VAL A 176 4.918 3.567 -4.364 1.00 0.00 C ATOM 0 H VAL A 176 6.725 1.812 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 176 4.356 0.948 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 176 4.959 2.698 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 176 2.756 3.774 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 176 2.587 2.068 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 176 2.434 2.534 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 176 4.649 4.572 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 176 4.436 3.353 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 176 6.000 3.501 -4.247 1.00 0.00 H new ATOM 910 N HIS A 177 4.895 -0.355 -7.024 1.00 0.00 N ATOM 911 CA HIS A 177 4.445 -1.491 -7.829 1.00 0.00 C ATOM 912 C HIS A 177 4.374 -2.749 -6.971 1.00 0.00 C ATOM 913 O HIS A 177 3.288 -3.292 -6.791 1.00 0.00 O ATOM 914 CB HIS A 177 5.287 -1.672 -9.096 1.00 0.00 C ATOM 915 CG HIS A 177 4.782 -2.801 -9.954 1.00 0.00 C ATOM 916 ND1 HIS A 177 4.829 -4.124 -9.627 1.00 0.00 N flip ATOM 917 CD2 HIS A 177 4.075 -2.696 -11.126 1.00 0.00 C flip ATOM 918 CE1 HIS A 177 4.181 -4.850 -10.621 1.00 0.00 C flip ATOM 919 NE2 HIS A 177 3.728 -3.939 -11.498 1.00 0.00 N flip ATOM 0 H HIS A 177 5.726 0.115 -7.384 1.00 0.00 H new ATOM 0 HA HIS A 177 3.436 -1.283 -8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 177 5.278 -0.747 -9.672 1.00 0.00 H new ATOM 0 HB3 HIS A 177 6.323 -1.864 -8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 177 3.841 -1.782 -11.652 1.00 0.00 H new ATOM 0 HE1 HIS A 177 4.066 -5.922 -10.676 1.00 0.00 H new ATOM 0 HE2 HIS A 177 3.191 -4.162 -12.336 1.00 0.00 H new ATOM 927 N ASP A 178 5.507 -3.262 -6.488 1.00 0.00 N ATOM 928 CA ASP A 178 5.539 -4.552 -5.797 1.00 0.00 C ATOM 929 C ASP A 178 4.776 -4.447 -4.479 1.00 0.00 C ATOM 930 O ASP A 178 4.123 -5.406 -4.083 1.00 0.00 O ATOM 931 CB ASP A 178 6.994 -5.044 -5.621 1.00 0.00 C ATOM 932 CG ASP A 178 7.197 -6.522 -5.976 1.00 0.00 C ATOM 933 OD1 ASP A 178 6.223 -7.302 -6.075 1.00 0.00 O ATOM 934 OD2 ASP A 178 8.354 -6.945 -6.186 1.00 0.00 O ATOM 0 H ASP A 178 6.415 -2.803 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 178 5.037 -5.308 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 178 7.650 -4.437 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 178 7.299 -4.884 -4.587 1.00 0.00 H new ATOM 939 N CYS A 179 4.758 -3.270 -3.851 1.00 0.00 N ATOM 940 CA CYS A 179 4.001 -3.018 -2.634 1.00 0.00 C ATOM 941 C CYS A 179 2.496 -3.062 -2.869 1.00 0.00 C ATOM 942 O CYS A 179 1.810 -3.862 -2.236 1.00 0.00 O ATOM 943 CB CYS A 179 4.395 -1.667 -2.041 1.00 0.00 C ATOM 944 SG CYS A 179 3.490 -1.202 -0.559 1.00 0.00 S ATOM 0 H CYS A 179 5.278 -2.457 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 179 4.245 -3.815 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 179 5.460 -1.684 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 179 4.246 -0.897 -2.798 1.00 0.00 H new ATOM 949 N VAL A 180 1.963 -2.203 -3.742 1.00 0.00 N ATOM 950 CA VAL A 180 0.526 -2.085 -3.977 1.00 0.00 C ATOM 951 C VAL A 180 -0.018 -3.378 -4.594 1.00 0.00 C ATOM 952 O VAL A 180 -1.180 -3.715 -4.396 1.00 0.00 O ATOM 953 CB VAL A 180 0.198 -0.840 -4.831 1.00 0.00 C ATOM 954 CG1 VAL A 180 -1.293 -0.756 -5.173 1.00 0.00 C ATOM 955 CG2 VAL A 180 0.546 0.458 -4.085 1.00 0.00 C ATOM 0 H VAL A 180 2.523 -1.566 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 180 0.024 -1.942 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 180 0.793 -0.944 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.479 0.134 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -1.588 -1.642 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.875 -0.700 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 180 0.303 1.315 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -0.029 0.511 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 180 1.611 0.469 -3.852 1.00 0.00 H new ATOM 965 N ASN A 181 0.823 -4.132 -5.292 1.00 0.00 N ATOM 966 CA ASN A 181 0.548 -5.480 -5.744 1.00 0.00 C ATOM 967 C ASN A 181 0.378 -6.382 -4.518 1.00 0.00 C ATOM 968 O ASN A 181 -0.705 -6.912 -4.272 1.00 0.00 O ATOM 969 CB ASN A 181 1.742 -5.841 -6.627 1.00 0.00 C ATOM 970 CG ASN A 181 1.766 -7.180 -7.315 1.00 0.00 C ATOM 971 OD1 ASN A 181 0.999 -8.087 -7.061 1.00 0.00 O ATOM 972 ND2 ASN A 181 2.741 -7.347 -8.182 1.00 0.00 N ATOM 0 H ASN A 181 1.749 -3.804 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 181 -0.373 -5.593 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 181 1.825 -5.074 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 181 2.639 -5.772 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.859 -8.246 -8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 181 3.379 -6.578 -8.387 1.00 0.00 H new ATOM 979 N ILE A 182 1.433 -6.563 -3.719 1.00 0.00 N ATOM 980 CA ILE A 182 1.474 -7.607 -2.701 1.00 0.00 C ATOM 981 C ILE A 182 0.581 -7.317 -1.496 1.00 0.00 C ATOM 982 O ILE A 182 0.024 -8.262 -0.931 1.00 0.00 O ATOM 983 CB ILE A 182 2.940 -7.951 -2.343 1.00 0.00 C ATOM 984 CG1 ILE A 182 3.386 -9.134 -3.224 1.00 0.00 C ATOM 985 CG2 ILE A 182 3.191 -8.288 -0.868 1.00 0.00 C ATOM 986 CD1 ILE A 182 3.572 -8.786 -4.690 1.00 0.00 C ATOM 0 H ILE A 182 2.277 -5.991 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 182 1.033 -8.508 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 182 3.522 -7.049 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 182 4.324 -9.528 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 182 2.647 -9.931 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 182 4.247 -8.514 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 182 2.912 -7.436 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 182 2.592 -9.154 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 182 3.886 -9.674 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 182 2.630 -8.421 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 182 4.334 -8.012 -4.786 1.00 0.00 H new ATOM 998 N THR A 183 0.445 -6.059 -1.094 1.00 0.00 N ATOM 999 CA THR A 183 -0.297 -5.653 0.089 1.00 0.00 C ATOM 1000 C THR A 183 -1.791 -5.908 -0.108 1.00 0.00 C ATOM 1001 O THR A 183 -2.397 -6.569 0.731 1.00 0.00 O ATOM 1002 CB THR A 183 0.022 -4.176 0.346 1.00 0.00 C ATOM 1003 OG1 THR A 183 1.400 -3.977 0.561 1.00 0.00 O ATOM 1004 CG2 THR A 183 -0.697 -3.637 1.562 1.00 0.00 C ATOM 0 H THR A 183 0.859 -5.274 -1.596 1.00 0.00 H new ATOM 0 HA THR A 183 -0.005 -6.236 0.962 1.00 0.00 H new ATOM 0 HB THR A 183 -0.311 -3.648 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 183 1.852 -3.863 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 183 -0.439 -2.587 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 183 -1.774 -3.730 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 183 -0.398 -4.205 2.443 1.00 0.00 H new ATOM 1012 N ILE A 184 -2.371 -5.458 -1.222 1.00 0.00 N ATOM 1013 CA ILE A 184 -3.672 -5.885 -1.723 1.00 0.00 C ATOM 1014 C ILE A 184 -3.682 -7.409 -1.697 1.00 0.00 C ATOM 1015 O ILE A 184 -4.486 -8.000 -0.990 1.00 0.00 O ATOM 1016 CB ILE A 184 -3.931 -5.227 -3.105 1.00 0.00 C ATOM 1017 CG1 ILE A 184 -4.673 -3.887 -2.881 1.00 0.00 C ATOM 1018 CG2 ILE A 184 -4.696 -6.058 -4.147 1.00 0.00 C ATOM 1019 CD1 ILE A 184 -4.616 -2.900 -4.051 1.00 0.00 C ATOM 0 H ILE A 184 -1.928 -4.760 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 184 -4.509 -5.556 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 184 -2.940 -5.106 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -5.718 -4.103 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.255 -3.403 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.807 -5.479 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -4.143 -6.973 -4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -5.682 -6.312 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.166 -1.996 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.577 -2.645 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.064 -3.356 -4.934 1.00 0.00 H new ATOM 1031 N LYS A 185 -2.745 -8.086 -2.365 1.00 0.00 N ATOM 1032 CA LYS A 185 -2.720 -9.539 -2.425 1.00 0.00 C ATOM 1033 C LYS A 185 -2.567 -10.253 -1.084 1.00 0.00 C ATOM 1034 O LYS A 185 -2.621 -11.483 -1.067 1.00 0.00 O ATOM 1035 CB LYS A 185 -1.641 -9.960 -3.410 1.00 0.00 C ATOM 1036 CG LYS A 185 -2.220 -9.981 -4.827 1.00 0.00 C ATOM 1037 CD LYS A 185 -1.097 -9.946 -5.853 1.00 0.00 C ATOM 1038 CE LYS A 185 -0.053 -11.057 -5.677 1.00 0.00 C ATOM 1039 NZ LYS A 185 1.205 -10.734 -6.373 1.00 0.00 N ATOM 0 H LYS A 185 -1.985 -7.638 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 185 -3.707 -9.856 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -0.799 -9.269 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.259 -10.947 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -2.824 -10.878 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -2.881 -9.126 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.529 -10.022 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.597 -8.979 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.146 -11.206 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.452 -11.996 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.005 -10.865 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.320 -11.363 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.179 -9.746 -6.696 1.00 0.00 H new ATOM 1053 N GLN A 186 -2.373 -9.531 0.015 1.00 0.00 N ATOM 1054 CA GLN A 186 -2.790 -9.990 1.325 1.00 0.00 C ATOM 1055 C GLN A 186 -4.331 -9.926 1.380 1.00 0.00 C ATOM 1056 O GLN A 186 -4.944 -10.884 0.910 1.00 0.00 O ATOM 1057 CB GLN A 186 -1.992 -9.268 2.428 1.00 0.00 C ATOM 1058 CG GLN A 186 -0.461 -9.376 2.272 1.00 0.00 C ATOM 1059 CD GLN A 186 0.044 -10.721 1.766 1.00 0.00 C ATOM 1060 OE1 GLN A 186 0.251 -11.646 2.542 1.00 0.00 O ATOM 1061 NE2 GLN A 186 0.236 -10.865 0.463 1.00 0.00 N ATOM 0 H GLN A 186 -1.924 -8.615 0.018 1.00 0.00 H new ATOM 0 HA GLN A 186 -2.546 -11.035 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -2.272 -8.215 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -2.278 -9.679 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.126 -8.598 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 186 0.002 -9.171 3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 186 0.058 -10.084 -0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.561 -11.757 0.091 1.00 0.00 H new ATOM 1070 N HIS A 187 -4.995 -8.858 1.851 1.00 0.00 N ATOM 1071 CA HIS A 187 -6.437 -8.896 2.169 1.00 0.00 C ATOM 1072 C HIS A 187 -7.385 -9.225 0.998 1.00 0.00 C ATOM 1073 O HIS A 187 -8.535 -9.611 1.207 1.00 0.00 O ATOM 1074 CB HIS A 187 -6.876 -7.648 2.946 1.00 0.00 C ATOM 1075 CG HIS A 187 -7.097 -6.367 2.184 1.00 0.00 C ATOM 1076 ND1 HIS A 187 -7.907 -5.341 2.615 1.00 0.00 N ATOM 1077 CD2 HIS A 187 -6.542 -5.979 0.994 1.00 0.00 C ATOM 1078 CE1 HIS A 187 -7.842 -4.358 1.709 1.00 0.00 C ATOM 1079 NE2 HIS A 187 -6.988 -4.686 0.731 1.00 0.00 N ATOM 0 H HIS A 187 -4.557 -7.953 2.021 1.00 0.00 H new ATOM 0 HA HIS A 187 -6.542 -9.765 2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -7.804 -7.890 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -6.125 -7.453 3.711 1.00 0.00 H new ATOM 0 HD1 HIS A 187 -8.459 -5.332 3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -5.881 -6.567 0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -8.398 -3.434 1.759 1.00 0.00 H new ATOM 1087 N THR A 188 -6.914 -9.173 -0.234 1.00 0.00 N ATOM 1088 CA THR A 188 -7.644 -9.446 -1.464 1.00 0.00 C ATOM 1089 C THR A 188 -7.571 -10.936 -1.835 1.00 0.00 C ATOM 1090 O THR A 188 -8.267 -11.402 -2.738 1.00 0.00 O ATOM 1091 CB THR A 188 -6.999 -8.548 -2.527 1.00 0.00 C ATOM 1092 OG1 THR A 188 -7.060 -7.211 -2.078 1.00 0.00 O ATOM 1093 CG2 THR A 188 -7.610 -8.640 -3.911 1.00 0.00 C ATOM 0 H THR A 188 -5.943 -8.921 -0.417 1.00 0.00 H new ATOM 0 HA THR A 188 -8.708 -9.231 -1.366 1.00 0.00 H new ATOM 0 HB THR A 188 -5.975 -8.903 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 188 -6.298 -7.029 -1.489 1.00 0.00 H new ATOM 0 HG21 THR A 188 -7.083 -7.967 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 188 -7.526 -9.663 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 188 -8.661 -8.357 -3.864 1.00 0.00 H new ATOM 1101 N VAL A 189 -6.736 -11.709 -1.144 1.00 0.00 N ATOM 1102 CA VAL A 189 -6.482 -13.124 -1.388 1.00 0.00 C ATOM 1103 C VAL A 189 -6.479 -13.892 -0.054 1.00 0.00 C ATOM 1104 O VAL A 189 -6.508 -15.123 -0.053 1.00 0.00 O ATOM 1105 CB VAL A 189 -5.179 -13.276 -2.194 1.00 0.00 C ATOM 1106 CG1 VAL A 189 -4.983 -14.684 -2.759 1.00 0.00 C ATOM 1107 CG2 VAL A 189 -5.104 -12.313 -3.393 1.00 0.00 C ATOM 0 H VAL A 189 -6.192 -11.346 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 189 -7.277 -13.564 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 189 -4.400 -13.048 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -4.047 -14.725 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -4.950 -15.403 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -5.812 -14.928 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -4.164 -12.465 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -5.938 -12.507 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.157 -11.284 -3.037 1.00 0.00 H new ATOM 1117 N THR A 190 -6.601 -13.208 1.081 1.00 0.00 N ATOM 1118 CA THR A 190 -6.777 -13.824 2.396 1.00 0.00 C ATOM 1119 C THR A 190 -8.227 -13.668 2.907 1.00 0.00 C ATOM 1120 O THR A 190 -8.440 -13.752 4.120 1.00 0.00 O ATOM 1121 CB THR A 190 -5.728 -13.243 3.368 1.00 0.00 C ATOM 1122 OG1 THR A 190 -5.937 -11.865 3.580 1.00 0.00 O ATOM 1123 CG2 THR A 190 -4.279 -13.443 2.901 1.00 0.00 C ATOM 0 H THR A 190 -6.580 -12.189 1.114 1.00 0.00 H new ATOM 0 HA THR A 190 -6.611 -14.899 2.323 1.00 0.00 H new ATOM 0 HB THR A 190 -5.865 -13.800 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 190 -5.260 -11.523 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 190 -3.598 -13.010 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 190 -4.073 -14.509 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 190 -4.136 -12.953 1.938 1.00 0.00 H new ATOM 1131 N THR A 191 -9.213 -13.386 2.033 1.00 0.00 N ATOM 1132 CA THR A 191 -10.551 -12.951 2.437 1.00 0.00 C ATOM 1133 C THR A 191 -11.547 -13.139 1.293 1.00 0.00 C ATOM 1134 O THR A 191 -12.664 -13.564 1.545 1.00 0.00 O ATOM 1135 CB THR A 191 -10.616 -11.479 2.930 1.00 0.00 C ATOM 1136 OG1 THR A 191 -9.343 -10.956 3.263 1.00 0.00 O ATOM 1137 CG2 THR A 191 -11.434 -11.433 4.223 1.00 0.00 C ATOM 0 H THR A 191 -9.096 -13.456 1.022 1.00 0.00 H new ATOM 0 HA THR A 191 -10.815 -13.583 3.285 1.00 0.00 H new ATOM 0 HB THR A 191 -11.049 -10.895 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 191 -9.114 -10.232 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 191 -11.489 -10.405 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 191 -12.440 -11.804 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 191 -10.956 -12.056 4.978 1.00 0.00 H new ATOM 1145 N THR A 192 -11.174 -12.874 0.037 1.00 0.00 N ATOM 1146 CA THR A 192 -12.035 -13.072 -1.133 1.00 0.00 C ATOM 1147 C THR A 192 -12.576 -14.516 -1.215 1.00 0.00 C ATOM 1148 O THR A 192 -13.726 -14.762 -1.569 1.00 0.00 O ATOM 1149 CB THR A 192 -11.294 -12.577 -2.397 1.00 0.00 C ATOM 1150 OG1 THR A 192 -12.093 -11.725 -3.179 1.00 0.00 O ATOM 1151 CG2 THR A 192 -10.741 -13.652 -3.337 1.00 0.00 C ATOM 0 H THR A 192 -10.251 -12.510 -0.199 1.00 0.00 H new ATOM 0 HA THR A 192 -12.937 -12.467 -1.042 1.00 0.00 H new ATOM 0 HB THR A 192 -10.441 -12.060 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 192 -11.587 -11.434 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 192 -10.245 -13.176 -4.183 1.00 0.00 H new ATOM 0 HG22 THR A 192 -10.024 -14.272 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.559 -14.274 -3.699 1.00 0.00 H new ATOM 1159 N THR A 193 -11.764 -15.491 -0.815 1.00 0.00 N ATOM 1160 CA THR A 193 -12.131 -16.895 -0.741 1.00 0.00 C ATOM 1161 C THR A 193 -13.036 -17.135 0.472 1.00 0.00 C ATOM 1162 O THR A 193 -13.875 -18.039 0.450 1.00 0.00 O ATOM 1163 CB THR A 193 -10.825 -17.707 -0.701 1.00 0.00 C ATOM 1164 OG1 THR A 193 -10.987 -18.977 -1.274 1.00 0.00 O ATOM 1165 CG2 THR A 193 -10.172 -17.844 0.683 1.00 0.00 C ATOM 0 H THR A 193 -10.802 -15.316 -0.525 1.00 0.00 H new ATOM 0 HA THR A 193 -12.709 -17.214 -1.608 1.00 0.00 H new ATOM 0 HB THR A 193 -10.135 -17.110 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 193 -10.138 -19.465 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 193 -9.259 -18.434 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 193 -9.930 -16.854 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 193 -10.863 -18.341 1.364 1.00 0.00 H new ATOM 1173 N LYS A 194 -12.873 -16.303 1.509 1.00 0.00 N ATOM 1174 CA LYS A 194 -13.642 -16.331 2.750 1.00 0.00 C ATOM 1175 C LYS A 194 -14.867 -15.408 2.687 1.00 0.00 C ATOM 1176 O LYS A 194 -15.294 -14.902 3.728 1.00 0.00 O ATOM 1177 CB LYS A 194 -12.735 -15.977 3.942 1.00 0.00 C ATOM 1178 CG LYS A 194 -11.414 -16.763 3.981 1.00 0.00 C ATOM 1179 CD LYS A 194 -10.836 -16.862 5.392 1.00 0.00 C ATOM 1180 CE LYS A 194 -10.377 -15.492 5.894 1.00 0.00 C ATOM 1181 NZ LYS A 194 -10.078 -15.494 7.338 1.00 0.00 N ATOM 0 H LYS A 194 -12.171 -15.563 1.501 1.00 0.00 H new ATOM 0 HA LYS A 194 -14.021 -17.344 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -12.510 -14.911 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -13.281 -16.160 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -11.580 -17.766 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -10.688 -16.280 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -11.588 -17.268 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -9.995 -17.555 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.489 -15.185 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -11.152 -14.754 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -9.771 -14.544 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -10.932 -15.761 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.320 -16.178 7.535 1.00 0.00 H new ATOM 1195 N GLY A 195 -15.448 -15.159 1.515 1.00 0.00 N ATOM 1196 CA GLY A 195 -16.701 -14.417 1.399 1.00 0.00 C ATOM 1197 C GLY A 195 -16.539 -12.935 1.279 1.00 0.00 C ATOM 1198 O GLY A 195 -17.545 -12.241 1.166 1.00 0.00 O ATOM 0 H GLY A 195 -15.064 -15.465 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -17.244 -14.782 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -17.317 -14.632 2.272 1.00 0.00 H new ATOM 1202 N GLU A 196 -15.319 -12.430 1.381 1.00 0.00 N ATOM 1203 CA GLU A 196 -15.071 -11.095 0.918 1.00 0.00 C ATOM 1204 C GLU A 196 -15.006 -11.156 -0.607 1.00 0.00 C ATOM 1205 O GLU A 196 -15.162 -12.228 -1.201 1.00 0.00 O ATOM 1206 CB GLU A 196 -13.806 -10.561 1.599 1.00 0.00 C ATOM 1207 CG GLU A 196 -13.741 -9.050 1.819 1.00 0.00 C ATOM 1208 CD GLU A 196 -14.741 -8.484 2.841 1.00 0.00 C ATOM 1209 OE1 GLU A 196 -14.954 -9.064 3.931 1.00 0.00 O ATOM 1210 OE2 GLU A 196 -15.293 -7.402 2.561 1.00 0.00 O ATOM 0 H GLU A 196 -14.512 -12.917 1.771 1.00 0.00 H new ATOM 0 HA GLU A 196 -15.859 -10.389 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -13.705 -11.052 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -12.944 -10.857 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -12.733 -8.791 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -13.906 -8.554 0.863 1.00 0.00 H new ATOM 1217 N ASN A 197 -14.774 -10.013 -1.242 1.00 0.00 N ATOM 1218 CA ASN A 197 -14.945 -9.817 -2.683 1.00 0.00 C ATOM 1219 C ASN A 197 -14.692 -8.369 -3.139 1.00 0.00 C ATOM 1220 O ASN A 197 -15.476 -7.812 -3.907 1.00 0.00 O ATOM 1221 CB ASN A 197 -16.340 -10.266 -3.160 1.00 0.00 C ATOM 1222 CG ASN A 197 -16.486 -10.413 -4.680 1.00 0.00 C ATOM 1223 OD1 ASN A 197 -15.405 -10.561 -5.437 1.00 0.00 O flip ATOM 1224 ND2 ASN A 197 -17.588 -10.486 -5.210 1.00 0.00 N flip ATOM 0 H ASN A 197 -14.453 -9.173 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 197 -14.184 -10.446 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -16.578 -11.222 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -17.078 -9.546 -2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -18.432 -10.376 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -17.661 -10.657 -6.213 1.00 0.00 H new ATOM 1231 N PHE A 198 -13.622 -7.742 -2.650 1.00 0.00 N ATOM 1232 CA PHE A 198 -13.255 -6.360 -2.990 1.00 0.00 C ATOM 1233 C PHE A 198 -13.399 -6.058 -4.483 1.00 0.00 C ATOM 1234 O PHE A 198 -12.768 -6.715 -5.323 1.00 0.00 O ATOM 1235 CB PHE A 198 -11.812 -6.059 -2.603 1.00 0.00 C ATOM 1236 CG PHE A 198 -11.521 -5.971 -1.127 1.00 0.00 C ATOM 1237 CD1 PHE A 198 -11.229 -7.125 -0.375 1.00 0.00 C ATOM 1238 CD2 PHE A 198 -11.488 -4.703 -0.523 1.00 0.00 C ATOM 1239 CE1 PHE A 198 -10.919 -7.011 0.989 1.00 0.00 C ATOM 1240 CE2 PHE A 198 -11.210 -4.593 0.849 1.00 0.00 C ATOM 1241 CZ PHE A 198 -10.934 -5.748 1.601 1.00 0.00 C ATOM 0 H PHE A 198 -12.974 -8.183 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 198 -13.947 -5.734 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 198 -11.174 -6.832 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 198 -11.524 -5.115 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 198 -11.244 -8.096 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 198 -11.676 -3.817 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 198 -10.670 -7.890 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 198 -11.208 -3.624 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 198 -10.732 -5.663 2.658 1.00 0.00 H new ATOM 1251 N THR A 199 -14.211 -5.060 -4.801 1.00 0.00 N ATOM 1252 CA THR A 199 -14.491 -4.592 -6.149 1.00 0.00 C ATOM 1253 C THR A 199 -13.322 -3.783 -6.701 1.00 0.00 C ATOM 1254 O THR A 199 -12.365 -3.515 -5.978 1.00 0.00 O ATOM 1255 CB THR A 199 -15.777 -3.762 -6.073 1.00 0.00 C ATOM 1256 OG1 THR A 199 -15.694 -2.794 -5.040 1.00 0.00 O ATOM 1257 CG2 THR A 199 -16.934 -4.729 -5.821 1.00 0.00 C ATOM 0 H THR A 199 -14.716 -4.530 -4.091 1.00 0.00 H new ATOM 0 HA THR A 199 -14.625 -5.429 -6.835 1.00 0.00 H new ATOM 0 HB THR A 199 -15.933 -3.219 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 199 -16.525 -2.275 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 199 -17.868 -4.171 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 199 -16.992 -5.447 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 199 -16.767 -5.259 -4.883 1.00 0.00 H new ATOM 1265 N GLU A 200 -13.388 -3.348 -7.964 1.00 0.00 N ATOM 1266 CA GLU A 200 -12.473 -2.346 -8.452 1.00 0.00 C ATOM 1267 C GLU A 200 -12.677 -1.080 -7.622 1.00 0.00 C ATOM 1268 O GLU A 200 -11.701 -0.416 -7.321 1.00 0.00 O ATOM 1269 CB GLU A 200 -12.696 -2.124 -9.957 1.00 0.00 C ATOM 1270 CG GLU A 200 -12.063 -0.820 -10.446 1.00 0.00 C ATOM 1271 CD GLU A 200 -12.415 -0.484 -11.894 1.00 0.00 C ATOM 1272 OE1 GLU A 200 -13.543 0.016 -12.100 1.00 0.00 O ATOM 1273 OE2 GLU A 200 -11.551 -0.618 -12.795 1.00 0.00 O ATOM 0 H GLU A 200 -14.065 -3.679 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.436 -2.662 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -12.275 -2.962 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -13.766 -2.108 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -12.387 -0.003 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -10.980 -0.892 -10.350 1.00 0.00 H new ATOM 1280 N THR A 201 -13.911 -0.739 -7.247 1.00 0.00 N ATOM 1281 CA THR A 201 -14.214 0.508 -6.561 1.00 0.00 C ATOM 1282 C THR A 201 -13.473 0.597 -5.221 1.00 0.00 C ATOM 1283 O THR A 201 -12.811 1.602 -4.967 1.00 0.00 O ATOM 1284 CB THR A 201 -15.733 0.620 -6.400 1.00 0.00 C ATOM 1285 OG1 THR A 201 -16.358 0.459 -7.670 1.00 0.00 O ATOM 1286 CG2 THR A 201 -16.151 1.965 -5.797 1.00 0.00 C ATOM 0 H THR A 201 -14.728 -1.326 -7.414 1.00 0.00 H new ATOM 0 HA THR A 201 -13.864 1.354 -7.152 1.00 0.00 H new ATOM 0 HB THR A 201 -16.051 -0.166 -5.715 1.00 0.00 H new ATOM 0 HG1 THR A 201 -17.330 0.529 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 201 -17.236 1.999 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 201 -15.696 2.080 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 201 -15.818 2.774 -6.447 1.00 0.00 H new ATOM 1294 N ASP A 202 -13.535 -0.437 -4.380 1.00 0.00 N ATOM 1295 CA ASP A 202 -12.792 -0.406 -3.120 1.00 0.00 C ATOM 1296 C ASP A 202 -11.292 -0.522 -3.406 1.00 0.00 C ATOM 1297 O ASP A 202 -10.501 0.189 -2.785 1.00 0.00 O ATOM 1298 CB ASP A 202 -13.292 -1.480 -2.141 1.00 0.00 C ATOM 1299 CG ASP A 202 -14.328 -0.956 -1.132 1.00 0.00 C ATOM 1300 OD1 ASP A 202 -14.858 0.167 -1.264 1.00 0.00 O ATOM 1301 OD2 ASP A 202 -14.618 -1.684 -0.152 1.00 0.00 O ATOM 0 H ASP A 202 -14.077 -1.286 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 202 -12.968 0.550 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 202 -13.732 -2.301 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 202 -12.441 -1.889 -1.597 1.00 0.00 H new ATOM 1306 N VAL A 203 -10.879 -1.303 -4.417 1.00 0.00 N ATOM 1307 CA VAL A 203 -9.473 -1.354 -4.824 1.00 0.00 C ATOM 1308 C VAL A 203 -8.961 0.038 -5.198 1.00 0.00 C ATOM 1309 O VAL A 203 -7.837 0.384 -4.841 1.00 0.00 O ATOM 1310 CB VAL A 203 -9.259 -2.340 -5.992 1.00 0.00 C ATOM 1311 CG1 VAL A 203 -7.911 -2.179 -6.712 1.00 0.00 C ATOM 1312 CG2 VAL A 203 -9.309 -3.776 -5.482 1.00 0.00 C ATOM 0 H VAL A 203 -11.498 -1.903 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 203 -8.899 -1.715 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 203 -10.059 -2.115 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -7.840 -2.909 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -7.837 -1.173 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -7.099 -2.341 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -9.157 -4.463 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -8.525 -3.926 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -10.281 -3.967 -5.027 1.00 0.00 H new ATOM 1322 N LYS A 204 -9.751 0.848 -5.909 1.00 0.00 N ATOM 1323 CA LYS A 204 -9.359 2.181 -6.353 1.00 0.00 C ATOM 1324 C LYS A 204 -8.977 3.062 -5.182 1.00 0.00 C ATOM 1325 O LYS A 204 -8.206 3.991 -5.390 1.00 0.00 O ATOM 1326 CB LYS A 204 -10.498 2.873 -7.122 1.00 0.00 C ATOM 1327 CG LYS A 204 -10.822 2.292 -8.513 1.00 0.00 C ATOM 1328 CD LYS A 204 -10.925 3.400 -9.573 1.00 0.00 C ATOM 1329 CE LYS A 204 -11.428 2.913 -10.940 1.00 0.00 C ATOM 1330 NZ LYS A 204 -10.359 2.334 -11.781 1.00 0.00 N ATOM 0 H LYS A 204 -10.695 0.588 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 204 -8.499 2.047 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 204 -11.401 2.830 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 204 -10.243 3.926 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 204 -10.048 1.581 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 204 -11.761 1.740 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 204 -11.595 4.178 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 204 -9.944 3.859 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 204 -12.207 2.166 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 204 -11.886 3.748 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 -10.761 2.024 -12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 -9.626 3.051 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 -9.937 1.518 -11.293 1.00 0.00 H new ATOM 1344 N MET A 205 -9.504 2.778 -3.996 1.00 0.00 N ATOM 1345 CA MET A 205 -9.155 3.440 -2.756 1.00 0.00 C ATOM 1346 C MET A 205 -7.868 2.841 -2.208 1.00 0.00 C ATOM 1347 O MET A 205 -6.951 3.593 -1.874 1.00 0.00 O ATOM 1348 CB MET A 205 -10.291 3.290 -1.742 1.00 0.00 C ATOM 1349 CG MET A 205 -11.633 3.697 -2.351 1.00 0.00 C ATOM 1350 SD MET A 205 -12.436 5.039 -1.480 1.00 0.00 S ATOM 1351 CE MET A 205 -12.963 5.905 -2.960 1.00 0.00 C ATOM 0 H MET A 205 -10.211 2.053 -3.873 1.00 0.00 H new ATOM 0 HA MET A 205 -9.001 4.503 -2.943 1.00 0.00 H new ATOM 0 HB2 MET A 205 -10.342 2.256 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 205 -10.084 3.906 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 205 -11.478 3.990 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 205 -12.296 2.832 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 205 -12.820 6.977 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 205 -12.372 5.565 -3.810 1.00 0.00 H new ATOM 0 HE3 MET A 205 -14.017 5.700 -3.146 1.00 0.00 H new ATOM 1361 N MET A 206 -7.793 1.511 -2.095 1.00 0.00 N ATOM 1362 CA MET A 206 -6.637 0.807 -1.548 1.00 0.00 C ATOM 1363 C MET A 206 -5.365 1.108 -2.319 1.00 0.00 C ATOM 1364 O MET A 206 -4.329 1.281 -1.685 1.00 0.00 O ATOM 1365 CB MET A 206 -6.863 -0.708 -1.543 1.00 0.00 C ATOM 1366 CG MET A 206 -7.750 -1.128 -0.373 1.00 0.00 C ATOM 1367 SD MET A 206 -9.218 -2.089 -0.811 1.00 0.00 S ATOM 1368 CE MET A 206 -8.442 -3.492 -1.646 1.00 0.00 C ATOM 0 H MET A 206 -8.546 0.888 -2.386 1.00 0.00 H new ATOM 0 HA MET A 206 -6.519 1.166 -0.525 1.00 0.00 H new ATOM 0 HB2 MET A 206 -7.326 -1.013 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 206 -5.904 -1.222 -1.479 1.00 0.00 H new ATOM 0 HG2 MET A 206 -7.149 -1.713 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 206 -8.070 -0.231 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 206 -8.746 -3.506 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 206 -7.358 -3.398 -1.584 1.00 0.00 H new ATOM 0 HE3 MET A 206 -8.754 -4.419 -1.166 1.00 0.00 H new ATOM 1378 N GLU A 207 -5.418 1.209 -3.650 1.00 0.00 N ATOM 1379 CA GLU A 207 -4.231 1.478 -4.444 1.00 0.00 C ATOM 1380 C GLU A 207 -3.578 2.775 -3.977 1.00 0.00 C ATOM 1381 O GLU A 207 -2.366 2.803 -3.791 1.00 0.00 O ATOM 1382 CB GLU A 207 -4.563 1.541 -5.939 1.00 0.00 C ATOM 1383 CG GLU A 207 -5.049 0.208 -6.524 1.00 0.00 C ATOM 1384 CD GLU A 207 -4.403 -0.113 -7.875 1.00 0.00 C ATOM 1385 OE1 GLU A 207 -3.307 -0.726 -7.919 1.00 0.00 O ATOM 1386 OE2 GLU A 207 -4.992 0.242 -8.917 1.00 0.00 O ATOM 0 H GLU A 207 -6.274 1.107 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 207 -3.528 0.658 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -5.330 2.298 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -3.677 1.865 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -4.829 -0.595 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.132 0.241 -6.642 1.00 0.00 H new ATOM 1393 N ARG A 208 -4.383 3.815 -3.728 1.00 0.00 N ATOM 1394 CA ARG A 208 -3.936 5.087 -3.164 1.00 0.00 C ATOM 1395 C ARG A 208 -3.421 4.873 -1.750 1.00 0.00 C ATOM 1396 O ARG A 208 -2.342 5.323 -1.395 1.00 0.00 O ATOM 1397 CB ARG A 208 -5.069 6.112 -3.068 1.00 0.00 C ATOM 1398 CG ARG A 208 -6.188 6.053 -4.074 1.00 0.00 C ATOM 1399 CD ARG A 208 -5.771 6.619 -5.411 1.00 0.00 C ATOM 1400 NE ARG A 208 -6.894 6.632 -6.358 1.00 0.00 N ATOM 1401 CZ ARG A 208 -7.682 7.660 -6.706 1.00 0.00 C ATOM 1402 NH1 ARG A 208 -7.574 8.843 -6.099 1.00 0.00 N ATOM 1403 NH2 ARG A 208 -8.584 7.480 -7.665 1.00 0.00 N ATOM 0 H ARG A 208 -5.385 3.791 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 208 -3.159 5.462 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 208 -5.512 6.022 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 208 -4.622 7.104 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 208 -6.508 5.019 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 208 -7.046 6.608 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 208 -5.393 7.633 -5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 208 -4.954 6.026 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 208 -7.102 5.742 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 208 -6.885 8.975 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 208 -8.181 9.615 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 208 -8.668 6.572 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 208 -9.193 8.250 -7.944 1.00 0.00 H new ATOM 1417 N VAL A 209 -4.258 4.277 -0.911 1.00 0.00 N ATOM 1418 CA VAL A 209 -4.082 4.239 0.532 1.00 0.00 C ATOM 1419 C VAL A 209 -2.796 3.506 0.882 1.00 0.00 C ATOM 1420 O VAL A 209 -2.073 3.921 1.795 1.00 0.00 O ATOM 1421 CB VAL A 209 -5.356 3.664 1.197 1.00 0.00 C ATOM 1422 CG1 VAL A 209 -5.210 2.340 1.961 1.00 0.00 C ATOM 1423 CG2 VAL A 209 -5.944 4.737 2.104 1.00 0.00 C ATOM 0 H VAL A 209 -5.100 3.794 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 209 -3.962 5.244 0.936 1.00 0.00 H new ATOM 0 HB VAL A 209 -6.017 3.398 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 209 -6.176 2.051 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 209 -4.861 1.564 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 209 -4.490 2.464 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 209 -6.844 4.354 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 209 -5.214 5.009 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 209 -6.195 5.617 1.511 1.00 0.00 H new ATOM 1433 N VAL A 210 -2.517 2.432 0.148 1.00 0.00 N ATOM 1434 CA VAL A 210 -1.285 1.701 0.236 1.00 0.00 C ATOM 1435 C VAL A 210 -0.200 2.536 -0.424 1.00 0.00 C ATOM 1436 O VAL A 210 0.782 2.780 0.261 1.00 0.00 O ATOM 1437 CB VAL A 210 -1.446 0.300 -0.388 1.00 0.00 C ATOM 1438 CG1 VAL A 210 -0.117 -0.465 -0.430 1.00 0.00 C ATOM 1439 CG2 VAL A 210 -2.462 -0.513 0.427 1.00 0.00 C ATOM 0 H VAL A 210 -3.167 2.047 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 210 -0.998 1.528 1.273 1.00 0.00 H new ATOM 0 HB VAL A 210 -1.794 0.435 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -0.276 -1.446 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 210 0.605 0.093 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 210 0.266 -0.586 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.575 -1.503 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -2.109 -0.612 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -3.425 -0.002 0.422 1.00 0.00 H new ATOM 1449 N GLU A 211 -0.362 3.022 -1.670 1.00 0.00 N ATOM 1450 CA GLU A 211 0.641 3.831 -2.366 1.00 0.00 C ATOM 1451 C GLU A 211 1.216 4.877 -1.420 1.00 0.00 C ATOM 1452 O GLU A 211 2.422 4.921 -1.229 1.00 0.00 O ATOM 1453 CB GLU A 211 0.067 4.469 -3.654 1.00 0.00 C ATOM 1454 CG GLU A 211 0.932 5.615 -4.178 1.00 0.00 C ATOM 1455 CD GLU A 211 0.506 6.193 -5.529 1.00 0.00 C ATOM 1456 OE1 GLU A 211 0.369 5.441 -6.520 1.00 0.00 O ATOM 1457 OE2 GLU A 211 0.393 7.439 -5.623 1.00 0.00 O ATOM 0 H GLU A 211 -1.204 2.859 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 211 1.453 3.176 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -0.022 3.704 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -0.939 4.839 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.928 6.418 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 211 1.960 5.263 -4.260 1.00 0.00 H new ATOM 1464 N GLN A 212 0.355 5.681 -0.805 1.00 0.00 N ATOM 1465 CA GLN A 212 0.705 6.777 0.079 1.00 0.00 C ATOM 1466 C GLN A 212 1.535 6.278 1.261 1.00 0.00 C ATOM 1467 O GLN A 212 2.665 6.716 1.470 1.00 0.00 O ATOM 1468 CB GLN A 212 -0.586 7.424 0.581 1.00 0.00 C ATOM 1469 CG GLN A 212 -1.405 8.200 -0.450 1.00 0.00 C ATOM 1470 CD GLN A 212 -0.754 9.526 -0.779 1.00 0.00 C ATOM 1471 OE1 GLN A 212 -0.844 10.487 -0.027 1.00 0.00 O ATOM 1472 NE2 GLN A 212 -0.090 9.621 -1.915 1.00 0.00 N ATOM 0 H GLN A 212 -0.653 5.577 -0.918 1.00 0.00 H new ATOM 0 HA GLN A 212 1.305 7.506 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -1.219 6.642 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -0.333 8.102 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -1.507 7.607 -1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -2.411 8.371 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -0.021 8.814 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 212 0.355 10.502 -2.174 1.00 0.00 H new ATOM 1481 N MET A 213 0.994 5.360 2.064 1.00 0.00 N ATOM 1482 CA MET A 213 1.736 4.832 3.208 1.00 0.00 C ATOM 1483 C MET A 213 3.058 4.199 2.771 1.00 0.00 C ATOM 1484 O MET A 213 4.084 4.345 3.441 1.00 0.00 O ATOM 1485 CB MET A 213 0.870 3.811 3.948 1.00 0.00 C ATOM 1486 CG MET A 213 -0.252 4.518 4.715 1.00 0.00 C ATOM 1487 SD MET A 213 -0.984 3.615 6.106 1.00 0.00 S ATOM 1488 CE MET A 213 -0.992 1.948 5.425 1.00 0.00 C ATOM 0 H MET A 213 0.058 4.972 1.946 1.00 0.00 H new ATOM 0 HA MET A 213 1.976 5.658 3.878 1.00 0.00 H new ATOM 0 HB2 MET A 213 0.443 3.103 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 213 1.486 3.236 4.640 1.00 0.00 H new ATOM 0 HG2 MET A 213 0.137 5.464 5.091 1.00 0.00 H new ATOM 0 HG3 MET A 213 -1.047 4.758 4.009 1.00 0.00 H new ATOM 0 HE1 MET A 213 -1.805 1.376 5.872 1.00 0.00 H new ATOM 0 HE2 MET A 213 -1.134 1.997 4.345 1.00 0.00 H new ATOM 0 HE3 MET A 213 -0.042 1.461 5.645 1.00 0.00 H new ATOM 1498 N CYS A 214 3.046 3.520 1.631 1.00 0.00 N ATOM 1499 CA CYS A 214 4.164 2.743 1.153 1.00 0.00 C ATOM 1500 C CYS A 214 5.237 3.620 0.562 1.00 0.00 C ATOM 1501 O CYS A 214 6.413 3.287 0.644 1.00 0.00 O ATOM 1502 CB CYS A 214 3.705 1.748 0.098 1.00 0.00 C ATOM 1503 SG CYS A 214 4.685 0.245 0.175 1.00 0.00 S ATOM 0 H CYS A 214 2.240 3.499 1.007 1.00 0.00 H new ATOM 0 HA CYS A 214 4.578 2.213 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 214 2.652 1.510 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 214 3.792 2.194 -0.893 1.00 0.00 H new ATOM 1508 N VAL A 215 4.861 4.764 0.010 1.00 0.00 N ATOM 1509 CA VAL A 215 5.819 5.723 -0.459 1.00 0.00 C ATOM 1510 C VAL A 215 6.636 6.217 0.708 1.00 0.00 C ATOM 1511 O VAL A 215 7.851 6.320 0.617 1.00 0.00 O ATOM 1512 CB VAL A 215 5.101 6.853 -1.198 1.00 0.00 C ATOM 1513 CG1 VAL A 215 4.934 8.175 -0.503 1.00 0.00 C ATOM 1514 CG2 VAL A 215 5.974 7.193 -2.367 1.00 0.00 C ATOM 0 H VAL A 215 3.888 5.042 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 215 6.505 5.264 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 215 4.099 6.462 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 215 4.406 8.867 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 215 4.360 8.035 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 215 5.914 8.584 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.516 7.999 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 215 6.953 7.513 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 215 6.089 6.315 -3.003 1.00 0.00 H new ATOM 1524 N THR A 216 5.964 6.533 1.804 1.00 0.00 N ATOM 1525 CA THR A 216 6.632 6.965 2.999 1.00 0.00 C ATOM 1526 C THR A 216 7.586 5.845 3.447 1.00 0.00 C ATOM 1527 O THR A 216 8.756 6.118 3.710 1.00 0.00 O ATOM 1528 CB THR A 216 5.562 7.358 4.035 1.00 0.00 C ATOM 1529 OG1 THR A 216 5.288 8.750 3.993 1.00 0.00 O ATOM 1530 CG2 THR A 216 6.023 7.058 5.468 1.00 0.00 C ATOM 0 H THR A 216 4.948 6.494 1.880 1.00 0.00 H new ATOM 0 HA THR A 216 7.249 7.851 2.849 1.00 0.00 H new ATOM 0 HB THR A 216 4.678 6.774 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 216 4.604 8.969 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 216 5.242 7.349 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 216 6.224 5.991 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 216 6.932 7.620 5.683 1.00 0.00 H new ATOM 1538 N GLN A 217 7.107 4.595 3.506 1.00 0.00 N ATOM 1539 CA GLN A 217 7.909 3.440 3.892 1.00 0.00 C ATOM 1540 C GLN A 217 9.154 3.349 3.005 1.00 0.00 C ATOM 1541 O GLN A 217 10.261 3.257 3.524 1.00 0.00 O ATOM 1542 CB GLN A 217 7.046 2.174 3.789 1.00 0.00 C ATOM 1543 CG GLN A 217 7.681 0.933 4.403 1.00 0.00 C ATOM 1544 CD GLN A 217 7.564 0.963 5.913 1.00 0.00 C ATOM 1545 OE1 GLN A 217 6.519 0.647 6.479 1.00 0.00 O ATOM 1546 NE2 GLN A 217 8.595 1.430 6.584 1.00 0.00 N ATOM 0 H GLN A 217 6.139 4.361 3.283 1.00 0.00 H new ATOM 0 HA GLN A 217 8.247 3.544 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 217 6.090 2.359 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 217 6.833 1.977 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 217 7.195 0.039 4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 217 8.731 0.876 4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 217 9.451 1.685 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 217 8.538 1.537 7.597 1.00 0.00 H new ATOM 1555 N TYR A 218 8.982 3.452 1.685 1.00 0.00 N ATOM 1556 CA TYR A 218 10.049 3.491 0.700 1.00 0.00 C ATOM 1557 C TYR A 218 11.089 4.537 1.075 1.00 0.00 C ATOM 1558 O TYR A 218 12.274 4.250 0.987 1.00 0.00 O ATOM 1559 CB TYR A 218 9.472 3.768 -0.700 1.00 0.00 C ATOM 1560 CG TYR A 218 10.485 4.263 -1.712 1.00 0.00 C ATOM 1561 CD1 TYR A 218 11.608 3.476 -2.013 1.00 0.00 C ATOM 1562 CD2 TYR A 218 10.327 5.524 -2.316 1.00 0.00 C ATOM 1563 CE1 TYR A 218 12.607 3.965 -2.865 1.00 0.00 C ATOM 1564 CE2 TYR A 218 11.314 6.016 -3.189 1.00 0.00 C ATOM 1565 CZ TYR A 218 12.485 5.255 -3.428 1.00 0.00 C ATOM 1566 OH TYR A 218 13.481 5.732 -4.223 1.00 0.00 O ATOM 0 H TYR A 218 8.055 3.513 1.263 1.00 0.00 H new ATOM 0 HA TYR A 218 10.542 2.519 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 218 9.017 2.853 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 218 8.676 4.507 -0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 218 11.702 2.489 -1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 218 9.447 6.115 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 218 13.470 3.356 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 218 11.180 6.971 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 218 13.249 6.632 -4.534 1.00 0.00 H new ATOM 1576 N GLN A 219 10.685 5.740 1.486 1.00 0.00 N ATOM 1577 CA GLN A 219 11.627 6.816 1.788 1.00 0.00 C ATOM 1578 C GLN A 219 12.417 6.467 3.059 1.00 0.00 C ATOM 1579 O GLN A 219 13.631 6.674 3.111 1.00 0.00 O ATOM 1580 CB GLN A 219 10.912 8.174 1.920 1.00 0.00 C ATOM 1581 CG GLN A 219 9.898 8.465 0.791 1.00 0.00 C ATOM 1582 CD GLN A 219 10.209 9.604 -0.177 1.00 0.00 C ATOM 1583 OE1 GLN A 219 10.765 10.634 0.189 1.00 0.00 O ATOM 1584 NE2 GLN A 219 9.722 9.485 -1.407 1.00 0.00 N ATOM 0 H GLN A 219 9.706 5.993 1.618 1.00 0.00 H new ATOM 0 HA GLN A 219 12.326 6.912 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 219 10.393 8.208 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 219 11.660 8.967 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 219 9.779 7.553 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 219 8.934 8.675 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 219 9.263 8.620 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 219 9.807 10.259 -2.066 1.00 0.00 H new ATOM 1593 N LYS A 220 11.750 5.891 4.067 1.00 0.00 N ATOM 1594 CA LYS A 220 12.391 5.451 5.307 1.00 0.00 C ATOM 1595 C LYS A 220 13.349 4.284 5.078 1.00 0.00 C ATOM 1596 O LYS A 220 14.385 4.218 5.736 1.00 0.00 O ATOM 1597 CB LYS A 220 11.339 5.055 6.347 1.00 0.00 C ATOM 1598 CG LYS A 220 10.480 6.249 6.775 1.00 0.00 C ATOM 1599 CD LYS A 220 9.813 5.942 8.111 1.00 0.00 C ATOM 1600 CE LYS A 220 8.705 6.950 8.411 1.00 0.00 C ATOM 1601 NZ LYS A 220 8.300 6.861 9.832 1.00 0.00 N ATOM 0 H LYS A 220 10.745 5.717 4.043 1.00 0.00 H new ATOM 0 HA LYS A 220 12.972 6.295 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 220 10.698 4.275 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 220 11.834 4.632 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 220 11.098 7.143 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 220 9.724 6.457 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 220 9.398 4.934 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 220 10.557 5.965 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 220 9.052 7.959 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 220 7.846 6.758 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 7.546 7.552 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 7.950 5.903 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 9.119 7.066 10.440 1.00 0.00 H new ATOM 1615 N GLU A 221 13.038 3.377 4.156 1.00 0.00 N ATOM 1616 CA GLU A 221 13.959 2.321 3.757 1.00 0.00 C ATOM 1617 C GLU A 221 15.085 2.920 2.903 1.00 0.00 C ATOM 1618 O GLU A 221 16.243 2.540 3.047 1.00 0.00 O ATOM 1619 CB GLU A 221 13.206 1.235 2.970 1.00 0.00 C ATOM 1620 CG GLU A 221 12.198 0.410 3.785 1.00 0.00 C ATOM 1621 CD GLU A 221 12.846 -0.332 4.956 1.00 0.00 C ATOM 1622 OE1 GLU A 221 13.787 -1.115 4.700 1.00 0.00 O ATOM 1623 OE2 GLU A 221 12.406 -0.065 6.102 1.00 0.00 O ATOM 0 H GLU A 221 12.143 3.355 3.667 1.00 0.00 H new ATOM 0 HA GLU A 221 14.393 1.863 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 221 12.677 1.710 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 221 13.937 0.555 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 221 11.419 1.070 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 221 11.711 -0.311 3.129 1.00 0.00 H new ATOM 1630 N SER A 222 14.761 3.867 2.018 1.00 0.00 N ATOM 1631 CA SER A 222 15.655 4.504 1.064 1.00 0.00 C ATOM 1632 C SER A 222 16.791 5.186 1.797 1.00 0.00 C ATOM 1633 O SER A 222 17.933 4.863 1.507 1.00 0.00 O ATOM 1634 CB SER A 222 14.881 5.473 0.159 1.00 0.00 C ATOM 1635 OG SER A 222 15.695 6.285 -0.672 1.00 0.00 O ATOM 0 H SER A 222 13.809 4.227 1.949 1.00 0.00 H new ATOM 0 HA SER A 222 16.090 3.745 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 222 14.203 4.897 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 222 14.265 6.119 0.784 1.00 0.00 H new ATOM 0 HG SER A 222 15.127 6.870 -1.216 1.00 0.00 H new ATOM 1641 N GLN A 223 16.538 6.112 2.723 1.00 0.00 N ATOM 1642 CA GLN A 223 17.583 6.718 3.533 1.00 0.00 C ATOM 1643 C GLN A 223 18.527 5.688 4.137 1.00 0.00 C ATOM 1644 O GLN A 223 19.732 5.816 4.018 1.00 0.00 O ATOM 1645 CB GLN A 223 16.998 7.654 4.547 1.00 0.00 C ATOM 1646 CG GLN A 223 15.961 6.972 5.392 1.00 0.00 C ATOM 1647 CD GLN A 223 16.269 6.935 6.887 1.00 0.00 C ATOM 1648 OE1 GLN A 223 15.391 7.218 7.696 1.00 0.00 O ATOM 1649 NE2 GLN A 223 17.493 6.629 7.297 1.00 0.00 N ATOM 0 H GLN A 223 15.601 6.460 2.929 1.00 0.00 H new ATOM 0 HA GLN A 223 18.208 7.318 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 223 17.791 8.042 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 223 16.551 8.509 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 223 15.006 7.476 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 223 15.839 5.949 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 223 18.215 6.395 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 223 17.712 6.627 8.293 1.00 0.00 H new ATOM 1658 N ALA A 224 17.966 4.642 4.730 1.00 0.00 N ATOM 1659 CA ALA A 224 18.683 3.584 5.417 1.00 0.00 C ATOM 1660 C ALA A 224 19.500 2.754 4.425 1.00 0.00 C ATOM 1661 O ALA A 224 20.462 2.091 4.811 1.00 0.00 O ATOM 1662 CB ALA A 224 17.662 2.711 6.154 1.00 0.00 C ATOM 0 H ALA A 224 16.955 4.505 4.744 1.00 0.00 H new ATOM 0 HA ALA A 224 19.384 4.012 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 224 18.181 1.908 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 224 17.115 3.320 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 224 16.963 2.283 5.435 1.00 0.00 H new ATOM 1668 N TYR A 225 19.133 2.797 3.141 1.00 0.00 N ATOM 1669 CA TYR A 225 19.813 2.116 2.074 1.00 0.00 C ATOM 1670 C TYR A 225 20.924 3.013 1.544 1.00 0.00 C ATOM 1671 O TYR A 225 22.050 2.562 1.355 1.00 0.00 O ATOM 1672 CB TYR A 225 18.796 1.694 0.998 1.00 0.00 C ATOM 1673 CG TYR A 225 19.211 1.879 -0.445 1.00 0.00 C ATOM 1674 CD1 TYR A 225 19.866 0.841 -1.127 1.00 0.00 C ATOM 1675 CD2 TYR A 225 18.859 3.060 -1.128 1.00 0.00 C ATOM 1676 CE1 TYR A 225 20.099 0.951 -2.505 1.00 0.00 C ATOM 1677 CE2 TYR A 225 19.072 3.171 -2.509 1.00 0.00 C ATOM 1678 CZ TYR A 225 19.646 2.088 -3.207 1.00 0.00 C ATOM 1679 OH TYR A 225 19.697 2.108 -4.563 1.00 0.00 O ATOM 0 H TYR A 225 18.324 3.330 2.821 1.00 0.00 H new ATOM 0 HA TYR A 225 20.283 1.199 2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 225 18.558 0.641 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 225 17.876 2.256 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 225 20.189 -0.039 -0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 225 18.422 3.885 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 225 20.625 0.166 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 225 18.800 4.075 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 225 19.185 1.353 -4.921 1.00 0.00 H new ATOM 1689 N TYR A 226 20.617 4.285 1.319 1.00 0.00 N ATOM 1690 CA TYR A 226 21.455 5.232 0.621 1.00 0.00 C ATOM 1691 C TYR A 226 22.398 5.976 1.546 1.00 0.00 C ATOM 1692 O TYR A 226 23.290 6.647 1.043 1.00 0.00 O ATOM 1693 CB TYR A 226 20.578 6.176 -0.208 1.00 0.00 C ATOM 1694 CG TYR A 226 20.359 7.600 0.281 1.00 0.00 C ATOM 1695 CD1 TYR A 226 21.352 8.597 0.116 1.00 0.00 C ATOM 1696 CD2 TYR A 226 19.101 7.951 0.818 1.00 0.00 C ATOM 1697 CE1 TYR A 226 21.111 9.915 0.542 1.00 0.00 C ATOM 1698 CE2 TYR A 226 18.865 9.270 1.251 1.00 0.00 C ATOM 1699 CZ TYR A 226 19.871 10.254 1.121 1.00 0.00 C ATOM 1700 OH TYR A 226 19.632 11.537 1.508 1.00 0.00 O ATOM 0 H TYR A 226 19.738 4.695 1.635 1.00 0.00 H new ATOM 0 HA TYR A 226 22.106 4.679 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 226 21.010 6.234 -1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 226 19.598 5.709 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 226 22.298 8.343 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 226 18.321 7.209 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 226 21.876 10.668 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 226 17.911 9.531 1.684 1.00 0.00 H new ATOM 0 HH TYR A 226 18.730 11.602 1.887 1.00 0.00 H new