USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 965 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: A1122 LYS NZ :NH3+ 146:sc= 0.985 (180deg=-0.176) USER MOD Set 1.2: A1177 GLN : amide:sc= 0.858 K(o=1.8,f=-1.9) USER MOD Set 2.1: A1057 ASN : amide:sc= -0.211 X(o=-1.9,f=-1.5) USER MOD Set 2.2: A1206 HIS : no HE2:sc= -1.73 K(o=-1.9,f=-0.69) USER MOD Single : A1058 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1063 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A1065 SER OG : rot 180:sc= 0 USER MOD Single : A1066 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A1069 SER OG : rot -52:sc= 1.15 USER MOD Single : A1070 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A1071 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1072 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1079 THR OG1 : rot -80:sc= -0.1 USER MOD Single : A1082 SER OG : rot -40:sc= 0.103 USER MOD Single : A1083 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1084 SER OG : rot 8:sc= 0.287 USER MOD Single : A1086 HIS : no HE2:sc= 0.993 K(o=0.99,f=-3.1!) USER MOD Single : A1090 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A1093 THR OG1 : rot 180:sc= 0 USER MOD Single : A1094 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1095 TYR OH : rot 180:sc= 0 USER MOD Single : A1096 CYS SG : rot -140:sc= -0.268 USER MOD Single : A1097 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0041) USER MOD Single : A1098 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A1102 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A1104 THR OG1 : rot 180:sc= 0 USER MOD Single : A1107 THR OG1 : rot 180:sc= 0 USER MOD Single : A1108 CYS SG : rot 180:sc= 0 USER MOD Single : A1112 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A1117 CYS SG : rot 180:sc= 0 USER MOD Single : A1120 SER OG : rot 180:sc= 0 USER MOD Single : A1121 CYS SG : rot -40:sc= -0.561 USER MOD Single : A1124 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A1125 ASN : amide:sc= 0.336 X(o=0.34,f=-0.078) USER MOD Single : A1178 TYR OH : rot 180:sc= 0 USER MOD Single : A1179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1184 ASN : amide:sc= 0.981 K(o=0.98,f=-0.12) USER MOD Single : A1188 MET CE :methyl 146:sc= -0.438 (180deg=-2.79!) USER MOD Single : A1191 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A1196 ASN : amide:sc=-0.00535 X(o=-0.0053,f=0) USER MOD Single : A1197 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A1200 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1203 MET CE :methyl -178:sc= -0.188 (180deg=-0.195) USER MOD Single : A1204 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A1209 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1212 THR OG1 : rot 180:sc= 0 USER MOD Single : A1223 CYS SG : rot 160:sc= -0.899 USER MOD ----------------------------------------------------------------- ATOM 117 N VAL A1055 4.537 -1.200 13.845 1.00 1.60 N ATOM 118 CA VAL A1055 4.787 0.068 13.129 1.00 1.72 C ATOM 119 C VAL A1055 5.328 -0.158 11.708 1.00 1.59 C ATOM 120 O VAL A1055 5.966 -1.171 11.419 1.00 1.88 O ATOM 121 CB VAL A1055 5.765 0.973 13.917 1.00 2.21 C ATOM 122 CG1 VAL A1055 5.091 1.634 15.124 1.00 3.27 C ATOM 123 CG2 VAL A1055 7.010 0.226 14.414 1.00 2.66 C ATOM 0 HA VAL A1055 3.821 0.567 13.047 1.00 1.72 H new ATOM 0 HB VAL A1055 6.075 1.734 13.201 1.00 2.21 H new ATOM 0 HG11 VAL A1055 5.814 2.260 15.647 1.00 3.27 H new ATOM 0 HG12 VAL A1055 4.258 2.249 14.784 1.00 3.27 H new ATOM 0 HG13 VAL A1055 4.721 0.864 15.801 1.00 3.27 H new ATOM 0 HG21 VAL A1055 7.655 0.916 14.958 1.00 2.66 H new ATOM 0 HG22 VAL A1055 6.707 -0.586 15.075 1.00 2.66 H new ATOM 0 HG23 VAL A1055 7.553 -0.183 13.562 1.00 2.66 H new ATOM 133 N VAL A1056 5.092 0.796 10.799 1.00 1.32 N ATOM 134 CA VAL A1056 5.660 0.780 9.435 1.00 1.24 C ATOM 135 C VAL A1056 7.164 1.078 9.472 1.00 1.23 C ATOM 136 O VAL A1056 7.597 2.021 10.144 1.00 1.53 O ATOM 137 CB VAL A1056 4.881 1.722 8.490 1.00 1.18 C ATOM 138 CG1 VAL A1056 4.955 3.208 8.870 1.00 1.69 C ATOM 139 CG2 VAL A1056 5.332 1.554 7.035 1.00 1.51 C ATOM 0 H VAL A1056 4.500 1.606 10.984 1.00 1.32 H new ATOM 0 HA VAL A1056 5.547 -0.222 9.022 1.00 1.24 H new ATOM 0 HB VAL A1056 3.841 1.417 8.601 1.00 1.18 H new ATOM 0 HG11 VAL A1056 4.381 3.796 8.154 1.00 1.69 H new ATOM 0 HG12 VAL A1056 4.542 3.349 9.869 1.00 1.69 H new ATOM 0 HG13 VAL A1056 5.995 3.535 8.857 1.00 1.69 H new ATOM 0 HG21 VAL A1056 4.764 2.231 6.397 1.00 1.51 H new ATOM 0 HG22 VAL A1056 6.394 1.785 6.954 1.00 1.51 H new ATOM 0 HG23 VAL A1056 5.159 0.526 6.717 1.00 1.51 H new ATOM 149 N ASN A1057 7.981 0.277 8.778 1.00 0.99 N ATOM 150 CA ASN A1057 9.443 0.360 8.860 1.00 1.00 C ATOM 151 C ASN A1057 10.089 0.903 7.568 1.00 0.94 C ATOM 152 O ASN A1057 11.021 1.705 7.673 1.00 0.99 O ATOM 153 CB ASN A1057 9.987 -0.975 9.408 1.00 1.05 C ATOM 154 CG ASN A1057 10.417 -1.948 8.334 1.00 1.38 C ATOM 155 OD1 ASN A1057 9.675 -2.833 7.950 1.00 2.81 O ATOM 156 ND2 ASN A1057 11.603 -1.767 7.809 1.00 1.60 N ATOM 0 H ASN A1057 7.646 -0.448 8.143 1.00 0.99 H new ATOM 0 HA ASN A1057 9.744 1.122 9.579 1.00 1.00 H new ATOM 0 HB2 ASN A1057 10.836 -0.770 10.060 1.00 1.05 H new ATOM 0 HB3 ASN A1057 9.219 -1.444 10.023 1.00 1.05 H new ATOM 0 HD21 ASN A1057 11.927 -2.376 7.058 1.00 1.60 H new ATOM 0 HD22 ASN A1057 12.203 -1.017 8.151 1.00 1.60 H new ATOM 163 N GLN A1058 9.587 0.556 6.376 1.00 0.87 N ATOM 164 CA GLN A1058 10.070 1.136 5.110 1.00 0.87 C ATOM 165 C GLN A1058 9.014 1.115 3.990 1.00 0.82 C ATOM 166 O GLN A1058 8.268 0.148 3.847 1.00 0.75 O ATOM 167 CB GLN A1058 11.343 0.385 4.664 1.00 0.91 C ATOM 168 CG GLN A1058 12.129 1.142 3.585 1.00 1.40 C ATOM 169 CD GLN A1058 13.483 0.507 3.270 1.00 1.98 C ATOM 170 OE1 GLN A1058 13.651 -0.707 3.247 1.00 2.84 O ATOM 171 NE2 GLN A1058 14.488 1.307 2.988 1.00 2.52 N ATOM 0 H GLN A1058 8.840 -0.129 6.259 1.00 0.87 H new ATOM 0 HA GLN A1058 10.292 2.187 5.295 1.00 0.87 H new ATOM 0 HB2 GLN A1058 11.986 0.222 5.529 1.00 0.91 H new ATOM 0 HB3 GLN A1058 11.066 -0.598 4.283 1.00 0.91 H new ATOM 0 HG2 GLN A1058 11.534 1.184 2.673 1.00 1.40 H new ATOM 0 HG3 GLN A1058 12.284 2.170 3.912 1.00 1.40 H new ATOM 0 HE21 GLN A1058 14.355 2.318 3.005 1.00 2.52 H new ATOM 0 HE22 GLN A1058 15.400 0.916 2.752 1.00 2.52 H new ATOM 180 N VAL A1059 8.988 2.156 3.150 1.00 0.88 N ATOM 181 CA VAL A1059 8.198 2.212 1.900 1.00 0.86 C ATOM 182 C VAL A1059 9.041 2.746 0.734 1.00 0.93 C ATOM 183 O VAL A1059 9.833 3.675 0.922 1.00 1.08 O ATOM 184 CB VAL A1059 6.911 3.056 2.055 1.00 0.89 C ATOM 185 CG1 VAL A1059 5.935 2.411 3.040 1.00 0.90 C ATOM 186 CG2 VAL A1059 7.150 4.498 2.521 1.00 1.09 C ATOM 0 H VAL A1059 9.526 3.006 3.318 1.00 0.88 H new ATOM 0 HA VAL A1059 7.897 1.188 1.678 1.00 0.86 H new ATOM 0 HB VAL A1059 6.496 3.089 1.048 1.00 0.89 H new ATOM 0 HG11 VAL A1059 5.042 3.030 3.125 1.00 0.90 H new ATOM 0 HG12 VAL A1059 5.657 1.420 2.681 1.00 0.90 H new ATOM 0 HG13 VAL A1059 6.410 2.322 4.017 1.00 0.90 H new ATOM 0 HG21 VAL A1059 6.195 5.017 2.603 1.00 1.09 H new ATOM 0 HG22 VAL A1059 7.643 4.489 3.493 1.00 1.09 H new ATOM 0 HG23 VAL A1059 7.782 5.014 1.798 1.00 1.09 H new ATOM 196 N LYS A1060 8.880 2.183 -0.472 1.00 0.87 N ATOM 197 CA LYS A1060 9.547 2.673 -1.697 1.00 0.98 C ATOM 198 C LYS A1060 8.666 2.556 -2.948 1.00 0.83 C ATOM 199 O LYS A1060 7.883 1.613 -3.084 1.00 0.79 O ATOM 200 CB LYS A1060 10.948 2.047 -1.861 1.00 1.46 C ATOM 201 CG LYS A1060 10.958 0.525 -2.060 1.00 1.18 C ATOM 202 CD LYS A1060 12.363 -0.107 -2.115 1.00 1.03 C ATOM 203 CE LYS A1060 13.312 0.639 -3.059 1.00 1.03 C ATOM 204 NZ LYS A1060 14.442 -0.211 -3.506 1.00 1.24 N ATOM 0 H LYS A1060 8.282 1.372 -0.631 1.00 0.87 H new ATOM 0 HA LYS A1060 9.702 3.745 -1.575 1.00 0.98 H new ATOM 0 HB2 LYS A1060 11.440 2.513 -2.714 1.00 1.46 H new ATOM 0 HB3 LYS A1060 11.542 2.287 -0.980 1.00 1.46 H new ATOM 0 HG2 LYS A1060 10.398 0.062 -1.248 1.00 1.18 H new ATOM 0 HG3 LYS A1060 10.432 0.289 -2.985 1.00 1.18 H new ATOM 0 HD2 LYS A1060 12.790 -0.119 -1.112 1.00 1.03 H new ATOM 0 HD3 LYS A1060 12.278 -1.145 -2.438 1.00 1.03 H new ATOM 0 HE2 LYS A1060 12.756 0.988 -3.929 1.00 1.03 H new ATOM 0 HE3 LYS A1060 13.702 1.523 -2.555 1.00 1.03 H new ATOM 0 HZ1 LYS A1060 15.057 0.335 -4.142 1.00 1.24 H new ATOM 0 HZ2 LYS A1060 14.990 -0.523 -2.679 1.00 1.24 H new ATOM 0 HZ3 LYS A1060 14.073 -1.042 -4.011 1.00 1.24 H new ATOM 218 N VAL A1061 8.764 3.549 -3.837 1.00 0.86 N ATOM 219 CA VAL A1061 7.893 3.721 -5.016 1.00 0.76 C ATOM 220 C VAL A1061 8.487 3.019 -6.240 1.00 0.84 C ATOM 221 O VAL A1061 9.664 3.205 -6.557 1.00 1.17 O ATOM 222 CB VAL A1061 7.633 5.218 -5.299 1.00 0.83 C ATOM 223 CG1 VAL A1061 6.628 5.424 -6.442 1.00 0.74 C ATOM 224 CG2 VAL A1061 7.064 5.938 -4.067 1.00 1.10 C ATOM 0 H VAL A1061 9.471 4.280 -3.759 1.00 0.86 H new ATOM 0 HA VAL A1061 6.932 3.254 -4.798 1.00 0.76 H new ATOM 0 HB VAL A1061 8.603 5.632 -5.572 1.00 0.83 H new ATOM 0 HG11 VAL A1061 6.476 6.491 -6.605 1.00 0.74 H new ATOM 0 HG12 VAL A1061 7.015 4.969 -7.354 1.00 0.74 H new ATOM 0 HG13 VAL A1061 5.678 4.959 -6.179 1.00 0.74 H new ATOM 0 HG21 VAL A1061 6.895 6.988 -4.305 1.00 1.10 H new ATOM 0 HG22 VAL A1061 6.121 5.475 -3.778 1.00 1.10 H new ATOM 0 HG23 VAL A1061 7.773 5.863 -3.242 1.00 1.10 H new ATOM 234 N LEU A1062 7.653 2.223 -6.916 1.00 0.76 N ATOM 235 CA LEU A1062 8.028 1.330 -8.024 1.00 0.87 C ATOM 236 C LEU A1062 7.593 1.842 -9.412 1.00 0.90 C ATOM 237 O LEU A1062 8.235 1.514 -10.412 1.00 1.62 O ATOM 238 CB LEU A1062 7.468 -0.075 -7.716 1.00 0.89 C ATOM 239 CG LEU A1062 7.920 -1.186 -8.686 1.00 0.87 C ATOM 240 CD1 LEU A1062 9.430 -1.423 -8.649 1.00 1.50 C ATOM 241 CD2 LEU A1062 7.232 -2.497 -8.317 1.00 1.37 C ATOM 0 H LEU A1062 6.657 2.179 -6.700 1.00 0.76 H new ATOM 0 HA LEU A1062 9.116 1.295 -8.087 1.00 0.87 H new ATOM 0 HB2 LEU A1062 7.765 -0.354 -6.705 1.00 0.89 H new ATOM 0 HB3 LEU A1062 6.379 -0.026 -7.727 1.00 0.89 H new ATOM 0 HG LEU A1062 7.647 -0.857 -9.689 1.00 0.87 H new ATOM 0 HD11 LEU A1062 9.691 -2.215 -9.351 1.00 1.50 H new ATOM 0 HD12 LEU A1062 9.949 -0.506 -8.927 1.00 1.50 H new ATOM 0 HD13 LEU A1062 9.728 -1.717 -7.643 1.00 1.50 H new ATOM 0 HD21 LEU A1062 7.552 -3.281 -9.003 1.00 1.37 H new ATOM 0 HD22 LEU A1062 7.501 -2.774 -7.298 1.00 1.37 H new ATOM 0 HD23 LEU A1062 6.151 -2.373 -8.386 1.00 1.37 H new ATOM 253 N THR A1063 6.529 2.648 -9.491 1.00 0.63 N ATOM 254 CA THR A1063 6.157 3.349 -10.738 1.00 0.66 C ATOM 255 C THR A1063 7.020 4.616 -10.940 1.00 0.74 C ATOM 256 O THR A1063 7.865 4.922 -10.097 1.00 1.96 O ATOM 257 CB THR A1063 4.660 3.681 -10.758 1.00 0.70 C ATOM 258 OG1 THR A1063 4.237 3.989 -12.065 1.00 0.88 O ATOM 259 CG2 THR A1063 4.259 4.823 -9.824 1.00 0.67 C ATOM 0 H THR A1063 5.904 2.836 -8.707 1.00 0.63 H new ATOM 0 HA THR A1063 6.356 2.678 -11.574 1.00 0.66 H new ATOM 0 HB THR A1063 4.164 2.782 -10.393 1.00 0.70 H new ATOM 0 HG1 THR A1063 3.279 4.196 -12.059 1.00 0.88 H new ATOM 0 HG21 THR A1063 3.185 4.994 -9.898 1.00 0.67 H new ATOM 0 HG22 THR A1063 4.514 4.560 -8.797 1.00 0.67 H new ATOM 0 HG23 THR A1063 4.791 5.730 -10.109 1.00 0.67 H new ATOM 267 N GLU A1064 6.791 5.399 -12.003 1.00 1.26 N ATOM 268 CA GLU A1064 7.455 6.698 -12.228 1.00 1.40 C ATOM 269 C GLU A1064 6.449 7.867 -12.382 1.00 1.73 C ATOM 270 O GLU A1064 6.366 8.704 -11.474 1.00 2.89 O ATOM 271 CB GLU A1064 8.487 6.585 -13.383 1.00 1.87 C ATOM 272 CG GLU A1064 9.635 5.599 -13.068 1.00 2.40 C ATOM 273 CD GLU A1064 10.688 5.468 -14.189 1.00 3.13 C ATOM 274 OE1 GLU A1064 11.636 6.291 -14.255 1.00 3.61 O ATOM 275 OE2 GLU A1064 10.622 4.504 -14.996 1.00 4.13 O ATOM 0 H GLU A1064 6.133 5.149 -12.741 1.00 1.26 H new ATOM 0 HA GLU A1064 8.019 6.956 -11.331 1.00 1.40 H new ATOM 0 HB2 GLU A1064 7.976 6.262 -14.290 1.00 1.87 H new ATOM 0 HB3 GLU A1064 8.906 7.570 -13.587 1.00 1.87 H new ATOM 0 HG2 GLU A1064 10.133 5.921 -12.154 1.00 2.40 H new ATOM 0 HG3 GLU A1064 9.209 4.616 -12.870 1.00 2.40 H new ATOM 282 N SER A1065 5.669 7.933 -13.474 1.00 1.96 N ATOM 283 CA SER A1065 4.823 9.105 -13.809 1.00 2.26 C ATOM 284 C SER A1065 3.549 8.853 -14.647 1.00 2.15 C ATOM 285 O SER A1065 2.714 9.755 -14.750 1.00 2.67 O ATOM 286 CB SER A1065 5.651 10.133 -14.602 1.00 3.20 C ATOM 287 OG SER A1065 6.824 10.589 -13.943 1.00 3.74 O ATOM 0 H SER A1065 5.603 7.176 -14.155 1.00 1.96 H new ATOM 0 HA SER A1065 4.488 9.442 -12.828 1.00 2.26 H new ATOM 0 HB2 SER A1065 5.936 9.690 -15.556 1.00 3.20 H new ATOM 0 HB3 SER A1065 5.019 10.993 -14.825 1.00 3.20 H new ATOM 0 HG SER A1065 7.290 11.235 -14.514 1.00 3.74 H new ATOM 293 N ASN A1066 3.363 7.683 -15.270 1.00 2.04 N ATOM 294 CA ASN A1066 2.303 7.474 -16.274 1.00 2.23 C ATOM 295 C ASN A1066 0.864 7.561 -15.728 1.00 2.04 C ATOM 296 O ASN A1066 0.033 8.256 -16.317 1.00 2.47 O ATOM 297 CB ASN A1066 2.532 6.135 -16.996 1.00 2.64 C ATOM 298 CG ASN A1066 3.681 6.141 -17.992 1.00 3.03 C ATOM 299 OD1 ASN A1066 4.497 7.053 -18.072 1.00 3.59 O ATOM 300 ND2 ASN A1066 3.761 5.107 -18.791 1.00 3.82 N ATOM 0 H ASN A1066 3.937 6.857 -15.097 1.00 2.04 H new ATOM 0 HA ASN A1066 2.385 8.306 -16.974 1.00 2.23 H new ATOM 0 HB2 ASN A1066 2.719 5.362 -16.250 1.00 2.64 H new ATOM 0 HB3 ASN A1066 1.617 5.858 -17.519 1.00 2.64 H new ATOM 0 HD21 ASN A1066 4.506 5.056 -19.486 1.00 3.82 H new ATOM 0 HD22 ASN A1066 3.079 4.352 -18.718 1.00 3.82 H new ATOM 307 N ARG A1067 0.561 6.872 -14.621 1.00 1.63 N ATOM 308 CA ARG A1067 -0.736 6.923 -13.910 1.00 1.54 C ATOM 309 C ARG A1067 -0.647 7.831 -12.676 1.00 1.24 C ATOM 310 O ARG A1067 -1.533 8.646 -12.435 1.00 1.42 O ATOM 311 CB ARG A1067 -1.163 5.480 -13.552 1.00 1.59 C ATOM 312 CG ARG A1067 -2.563 5.350 -12.915 1.00 2.73 C ATOM 313 CD ARG A1067 -3.717 5.385 -13.925 1.00 3.92 C ATOM 314 NE ARG A1067 -3.851 4.103 -14.645 1.00 4.22 N ATOM 315 CZ ARG A1067 -3.746 3.875 -15.939 1.00 4.80 C ATOM 316 NH1 ARG A1067 -3.475 4.800 -16.812 1.00 5.21 N ATOM 317 NH2 ARG A1067 -3.929 2.674 -16.384 1.00 5.69 N ATOM 0 H ARG A1067 1.228 6.242 -14.176 1.00 1.63 H new ATOM 0 HA ARG A1067 -1.500 7.359 -14.554 1.00 1.54 H new ATOM 0 HB2 ARG A1067 -1.135 4.874 -14.458 1.00 1.59 H new ATOM 0 HB3 ARG A1067 -0.428 5.060 -12.865 1.00 1.59 H new ATOM 0 HG2 ARG A1067 -2.611 4.415 -12.357 1.00 2.73 H new ATOM 0 HG3 ARG A1067 -2.699 6.158 -12.196 1.00 2.73 H new ATOM 0 HD2 ARG A1067 -4.649 5.610 -13.406 1.00 3.92 H new ATOM 0 HD3 ARG A1067 -3.549 6.189 -14.642 1.00 3.92 H new ATOM 0 HE ARG A1067 -4.051 3.288 -14.066 1.00 4.22 H new ATOM 0 HH11 ARG A1067 -3.331 5.763 -16.507 1.00 5.21 H new ATOM 0 HH12 ARG A1067 -3.406 4.563 -17.802 1.00 5.21 H new ATOM 0 HH21 ARG A1067 -4.151 1.918 -15.736 1.00 5.69 H new ATOM 0 HH22 ARG A1067 -3.851 2.483 -17.383 1.00 5.69 H new ATOM 331 N ILE A1068 0.434 7.687 -11.911 1.00 0.93 N ATOM 332 CA ILE A1068 0.703 8.371 -10.637 1.00 0.77 C ATOM 333 C ILE A1068 2.208 8.552 -10.384 1.00 0.76 C ATOM 334 O ILE A1068 3.037 7.829 -10.941 1.00 0.90 O ATOM 335 CB ILE A1068 0.077 7.634 -9.414 1.00 0.79 C ATOM 336 CG1 ILE A1068 -0.618 6.269 -9.632 1.00 1.14 C ATOM 337 CG2 ILE A1068 -0.923 8.574 -8.734 1.00 1.38 C ATOM 338 CD1 ILE A1068 0.342 5.125 -9.972 1.00 1.45 C ATOM 0 H ILE A1068 1.191 7.056 -12.174 1.00 0.93 H new ATOM 0 HA ILE A1068 0.232 9.349 -10.736 1.00 0.77 H new ATOM 0 HB ILE A1068 0.951 7.379 -8.814 1.00 0.79 H new ATOM 0 HG12 ILE A1068 -1.172 6.008 -8.731 1.00 1.14 H new ATOM 0 HG13 ILE A1068 -1.346 6.369 -10.437 1.00 1.14 H new ATOM 0 HG21 ILE A1068 -1.369 8.071 -7.876 1.00 1.38 H new ATOM 0 HG22 ILE A1068 -0.407 9.474 -8.399 1.00 1.38 H new ATOM 0 HG23 ILE A1068 -1.706 8.847 -9.442 1.00 1.38 H new ATOM 0 HD11 ILE A1068 -0.224 4.204 -10.109 1.00 1.45 H new ATOM 0 HD12 ILE A1068 0.879 5.361 -10.891 1.00 1.45 H new ATOM 0 HD13 ILE A1068 1.055 4.995 -9.158 1.00 1.45 H new ATOM 350 N SER A1069 2.543 9.471 -9.481 1.00 0.86 N ATOM 351 CA SER A1069 3.885 9.666 -8.915 1.00 1.05 C ATOM 352 C SER A1069 3.855 9.608 -7.373 1.00 0.78 C ATOM 353 O SER A1069 2.793 9.433 -6.770 1.00 0.69 O ATOM 354 CB SER A1069 4.470 10.986 -9.442 1.00 1.54 C ATOM 355 OG SER A1069 4.792 10.880 -10.821 1.00 2.31 O ATOM 0 H SER A1069 1.861 10.130 -9.105 1.00 0.86 H new ATOM 0 HA SER A1069 4.537 8.853 -9.235 1.00 1.05 H new ATOM 0 HB2 SER A1069 3.752 11.792 -9.293 1.00 1.54 H new ATOM 0 HB3 SER A1069 5.364 11.245 -8.874 1.00 1.54 H new ATOM 0 HG SER A1069 5.350 10.088 -10.967 1.00 2.31 H new ATOM 361 N HIS A1070 5.021 9.714 -6.723 1.00 0.83 N ATOM 362 CA HIS A1070 5.205 9.535 -5.266 1.00 0.94 C ATOM 363 C HIS A1070 4.160 10.240 -4.372 1.00 0.90 C ATOM 364 O HIS A1070 3.598 9.592 -3.487 1.00 0.96 O ATOM 365 CB HIS A1070 6.632 10.009 -4.916 1.00 1.31 C ATOM 366 CG HIS A1070 7.003 10.119 -3.449 1.00 2.75 C ATOM 367 ND1 HIS A1070 7.867 11.055 -2.927 1.00 3.23 N ATOM 368 CD2 HIS A1070 6.599 9.333 -2.398 1.00 4.80 C ATOM 369 CE1 HIS A1070 7.970 10.854 -1.605 1.00 4.99 C ATOM 370 NE2 HIS A1070 7.221 9.803 -1.229 1.00 6.14 N ATOM 0 H HIS A1070 5.892 9.933 -7.206 1.00 0.83 H new ATOM 0 HA HIS A1070 5.057 8.477 -5.051 1.00 0.94 H new ATOM 0 HB2 HIS A1070 7.337 9.325 -5.389 1.00 1.31 H new ATOM 0 HB3 HIS A1070 6.781 10.987 -5.373 1.00 1.31 H new ATOM 0 HD2 HIS A1070 5.919 8.496 -2.459 1.00 4.80 H new ATOM 0 HE1 HIS A1070 8.571 11.453 -0.936 1.00 4.99 H new ATOM 0 HE2 HIS A1070 7.124 9.424 -0.287 1.00 6.14 H new ATOM 378 N HIS A1071 3.869 11.529 -4.594 1.00 1.02 N ATOM 379 CA HIS A1071 3.014 12.327 -3.701 1.00 1.27 C ATOM 380 C HIS A1071 1.584 11.775 -3.575 1.00 1.02 C ATOM 381 O HIS A1071 1.126 11.484 -2.466 1.00 0.91 O ATOM 382 CB HIS A1071 2.985 13.791 -4.171 1.00 1.85 C ATOM 383 CG HIS A1071 4.178 14.601 -3.728 1.00 2.15 C ATOM 384 ND1 HIS A1071 5.432 14.620 -4.296 1.00 3.43 N ATOM 385 CD2 HIS A1071 4.200 15.482 -2.683 1.00 2.65 C ATOM 386 CE1 HIS A1071 6.196 15.474 -3.597 1.00 4.10 C ATOM 387 NE2 HIS A1071 5.477 16.057 -2.618 1.00 3.53 N ATOM 0 H HIS A1071 4.220 12.049 -5.398 1.00 1.02 H new ATOM 0 HA HIS A1071 3.454 12.266 -2.706 1.00 1.27 H new ATOM 0 HB2 HIS A1071 2.929 13.811 -5.259 1.00 1.85 H new ATOM 0 HB3 HIS A1071 2.078 14.264 -3.796 1.00 1.85 H new ATOM 0 HD2 HIS A1071 3.375 15.698 -2.021 1.00 2.65 H new ATOM 0 HE1 HIS A1071 7.241 15.667 -3.792 1.00 4.10 H new ATOM 0 HE2 HIS A1071 5.796 16.771 -1.963 1.00 3.53 H new ATOM 395 N LYS A1072 0.879 11.584 -4.699 1.00 1.04 N ATOM 396 CA LYS A1072 -0.508 11.089 -4.682 1.00 0.98 C ATOM 397 C LYS A1072 -0.603 9.636 -4.202 1.00 0.77 C ATOM 398 O LYS A1072 -1.592 9.290 -3.560 1.00 0.81 O ATOM 399 CB LYS A1072 -1.147 11.287 -6.068 1.00 1.21 C ATOM 400 CG LYS A1072 -1.483 12.755 -6.404 1.00 1.47 C ATOM 401 CD LYS A1072 -2.720 13.274 -5.650 1.00 2.56 C ATOM 402 CE LYS A1072 -3.123 14.695 -6.077 1.00 2.85 C ATOM 403 NZ LYS A1072 -2.185 15.725 -5.579 1.00 3.51 N ATOM 0 H LYS A1072 1.246 11.765 -5.634 1.00 1.04 H new ATOM 0 HA LYS A1072 -1.071 11.675 -3.956 1.00 0.98 H new ATOM 0 HB2 LYS A1072 -0.469 10.898 -6.828 1.00 1.21 H new ATOM 0 HB3 LYS A1072 -2.061 10.695 -6.123 1.00 1.21 H new ATOM 0 HG2 LYS A1072 -0.626 13.383 -6.161 1.00 1.47 H new ATOM 0 HG3 LYS A1072 -1.652 12.847 -7.477 1.00 1.47 H new ATOM 0 HD2 LYS A1072 -3.556 12.596 -5.823 1.00 2.56 H new ATOM 0 HD3 LYS A1072 -2.518 13.265 -4.579 1.00 2.56 H new ATOM 0 HE2 LYS A1072 -3.168 14.745 -7.165 1.00 2.85 H new ATOM 0 HE3 LYS A1072 -4.125 14.912 -5.707 1.00 2.85 H new ATOM 0 HZ1 LYS A1072 -2.501 16.664 -5.894 1.00 3.51 H new ATOM 0 HZ2 LYS A1072 -2.160 15.699 -4.540 1.00 3.51 H new ATOM 0 HZ3 LYS A1072 -1.233 15.537 -5.953 1.00 3.51 H new ATOM 417 N ILE A1073 0.427 8.812 -4.434 1.00 0.63 N ATOM 418 CA ILE A1073 0.511 7.437 -3.898 1.00 0.55 C ATOM 419 C ILE A1073 0.571 7.457 -2.364 1.00 0.57 C ATOM 420 O ILE A1073 -0.185 6.738 -1.712 1.00 0.59 O ATOM 421 CB ILE A1073 1.718 6.673 -4.494 1.00 0.58 C ATOM 422 CG1 ILE A1073 1.521 6.475 -6.011 1.00 0.57 C ATOM 423 CG2 ILE A1073 1.913 5.300 -3.818 1.00 0.67 C ATOM 424 CD1 ILE A1073 2.808 6.074 -6.739 1.00 0.65 C ATOM 0 H ILE A1073 1.232 9.077 -5.001 1.00 0.63 H new ATOM 0 HA ILE A1073 -0.392 6.904 -4.196 1.00 0.55 H new ATOM 0 HB ILE A1073 2.610 7.272 -4.311 1.00 0.58 H new ATOM 0 HG12 ILE A1073 0.764 5.708 -6.176 1.00 0.57 H new ATOM 0 HG13 ILE A1073 1.138 7.399 -6.445 1.00 0.57 H new ATOM 0 HG21 ILE A1073 2.770 4.794 -4.263 1.00 0.67 H new ATOM 0 HG22 ILE A1073 2.089 5.441 -2.752 1.00 0.67 H new ATOM 0 HG23 ILE A1073 1.019 4.694 -3.961 1.00 0.67 H new ATOM 0 HD11 ILE A1073 2.601 5.950 -7.802 1.00 0.65 H new ATOM 0 HD12 ILE A1073 3.560 6.851 -6.604 1.00 0.65 H new ATOM 0 HD13 ILE A1073 3.180 5.134 -6.330 1.00 0.65 H new ATOM 436 N LEU A1074 1.431 8.296 -1.780 1.00 0.66 N ATOM 437 CA LEU A1074 1.610 8.382 -0.327 1.00 0.70 C ATOM 438 C LEU A1074 0.300 8.764 0.392 1.00 0.64 C ATOM 439 O LEU A1074 -0.054 8.173 1.415 1.00 0.65 O ATOM 440 CB LEU A1074 2.727 9.408 -0.063 1.00 0.97 C ATOM 441 CG LEU A1074 3.329 9.306 1.346 1.00 0.90 C ATOM 442 CD1 LEU A1074 4.371 8.190 1.438 1.00 2.18 C ATOM 443 CD2 LEU A1074 3.992 10.631 1.708 1.00 1.89 C ATOM 0 H LEU A1074 2.026 8.938 -2.304 1.00 0.66 H new ATOM 0 HA LEU A1074 1.890 7.408 0.075 1.00 0.70 H new ATOM 0 HB2 LEU A1074 3.519 9.269 -0.799 1.00 0.97 H new ATOM 0 HB3 LEU A1074 2.329 10.412 -0.208 1.00 0.97 H new ATOM 0 HG LEU A1074 2.520 9.076 2.039 1.00 0.90 H new ATOM 0 HD11 LEU A1074 4.773 8.150 2.450 1.00 2.18 H new ATOM 0 HD12 LEU A1074 3.904 7.235 1.195 1.00 2.18 H new ATOM 0 HD13 LEU A1074 5.179 8.388 0.734 1.00 2.18 H new ATOM 0 HD21 LEU A1074 4.421 10.562 2.708 1.00 1.89 H new ATOM 0 HD22 LEU A1074 4.781 10.851 0.989 1.00 1.89 H new ATOM 0 HD23 LEU A1074 3.249 11.428 1.686 1.00 1.89 H new ATOM 455 N ALA A1075 -0.445 9.716 -0.179 1.00 0.72 N ATOM 456 CA ALA A1075 -1.757 10.148 0.301 1.00 0.80 C ATOM 457 C ALA A1075 -2.805 9.023 0.262 1.00 0.81 C ATOM 458 O ALA A1075 -3.423 8.745 1.290 1.00 0.82 O ATOM 459 CB ALA A1075 -2.161 11.375 -0.524 1.00 0.94 C ATOM 0 H ALA A1075 -0.141 10.220 -1.012 1.00 0.72 H new ATOM 0 HA ALA A1075 -1.700 10.416 1.356 1.00 0.80 H new ATOM 0 HB1 ALA A1075 -3.138 11.729 -0.195 1.00 0.94 H new ATOM 0 HB2 ALA A1075 -1.423 12.165 -0.386 1.00 0.94 H new ATOM 0 HB3 ALA A1075 -2.209 11.104 -1.579 1.00 0.94 H new ATOM 465 N ILE A1076 -2.994 8.336 -0.873 1.00 0.85 N ATOM 466 CA ILE A1076 -4.015 7.274 -0.963 1.00 1.01 C ATOM 467 C ILE A1076 -3.666 6.045 -0.106 1.00 1.02 C ATOM 468 O ILE A1076 -4.559 5.504 0.539 1.00 1.22 O ATOM 469 CB ILE A1076 -4.377 6.911 -2.422 1.00 1.09 C ATOM 470 CG1 ILE A1076 -3.186 6.295 -3.190 1.00 0.94 C ATOM 471 CG2 ILE A1076 -4.975 8.147 -3.122 1.00 1.21 C ATOM 472 CD1 ILE A1076 -3.393 6.087 -4.694 1.00 0.96 C ATOM 0 H ILE A1076 -2.464 8.490 -1.731 1.00 0.85 H new ATOM 0 HA ILE A1076 -4.924 7.691 -0.531 1.00 1.01 H new ATOM 0 HB ILE A1076 -5.135 6.127 -2.412 1.00 1.09 H new ATOM 0 HG12 ILE A1076 -2.317 6.937 -3.048 1.00 0.94 H new ATOM 0 HG13 ILE A1076 -2.948 5.332 -2.739 1.00 0.94 H new ATOM 0 HG21 ILE A1076 -5.231 7.894 -4.151 1.00 1.21 H new ATOM 0 HG22 ILE A1076 -5.873 8.466 -2.593 1.00 1.21 H new ATOM 0 HG23 ILE A1076 -4.245 8.956 -3.118 1.00 1.21 H new ATOM 0 HD11 ILE A1076 -2.494 5.650 -5.128 1.00 0.96 H new ATOM 0 HD12 ILE A1076 -4.237 5.416 -4.856 1.00 0.96 H new ATOM 0 HD13 ILE A1076 -3.596 7.047 -5.169 1.00 0.96 H new ATOM 484 N VAL A1077 -2.389 5.651 -0.015 1.00 0.90 N ATOM 485 CA VAL A1077 -1.943 4.500 0.802 1.00 1.04 C ATOM 486 C VAL A1077 -2.195 4.722 2.298 1.00 1.12 C ATOM 487 O VAL A1077 -2.682 3.815 2.976 1.00 1.46 O ATOM 488 CB VAL A1077 -0.458 4.186 0.513 1.00 1.04 C ATOM 489 CG1 VAL A1077 0.177 3.200 1.502 1.00 1.38 C ATOM 490 CG2 VAL A1077 -0.317 3.563 -0.883 1.00 1.08 C ATOM 0 H VAL A1077 -1.628 6.120 -0.506 1.00 0.90 H new ATOM 0 HA VAL A1077 -2.540 3.634 0.517 1.00 1.04 H new ATOM 0 HB VAL A1077 0.057 5.143 0.601 1.00 1.04 H new ATOM 0 HG11 VAL A1077 1.219 3.032 1.230 1.00 1.38 H new ATOM 0 HG12 VAL A1077 0.127 3.612 2.510 1.00 1.38 H new ATOM 0 HG13 VAL A1077 -0.363 2.254 1.470 1.00 1.38 H new ATOM 0 HG21 VAL A1077 0.733 3.344 -1.080 1.00 1.08 H new ATOM 0 HG22 VAL A1077 -0.895 2.640 -0.930 1.00 1.08 H new ATOM 0 HG23 VAL A1077 -0.689 4.262 -1.632 1.00 1.08 H new ATOM 500 N GLY A1078 -1.907 5.921 2.816 1.00 0.88 N ATOM 501 CA GLY A1078 -2.197 6.266 4.213 1.00 0.87 C ATOM 502 C GLY A1078 -3.686 6.476 4.490 1.00 1.05 C ATOM 503 O GLY A1078 -4.230 5.920 5.444 1.00 1.31 O ATOM 0 H GLY A1078 -1.470 6.674 2.285 1.00 0.88 H new ATOM 0 HA2 GLY A1078 -1.823 5.473 4.861 1.00 0.87 H new ATOM 0 HA3 GLY A1078 -1.655 7.174 4.475 1.00 0.87 H new ATOM 507 N THR A1079 -4.365 7.253 3.648 1.00 1.01 N ATOM 508 CA THR A1079 -5.754 7.669 3.911 1.00 1.16 C ATOM 509 C THR A1079 -6.789 6.564 3.664 1.00 1.16 C ATOM 510 O THR A1079 -7.817 6.553 4.346 1.00 1.28 O ATOM 511 CB THR A1079 -6.072 9.021 3.245 1.00 1.22 C ATOM 512 OG1 THR A1079 -5.276 9.998 3.870 1.00 1.87 O ATOM 513 CG2 THR A1079 -7.488 9.510 3.392 1.00 1.51 C ATOM 0 H THR A1079 -3.980 7.611 2.774 1.00 1.01 H new ATOM 0 HA THR A1079 -5.839 7.843 4.984 1.00 1.16 H new ATOM 0 HB THR A1079 -5.888 8.866 2.182 1.00 1.22 H new ATOM 0 HG1 THR A1079 -5.687 10.260 4.720 1.00 1.87 H new ATOM 0 HG21 THR A1079 -7.596 10.469 2.885 1.00 1.51 H new ATOM 0 HG22 THR A1079 -8.171 8.786 2.948 1.00 1.51 H new ATOM 0 HG23 THR A1079 -7.723 9.630 4.449 1.00 1.51 H new ATOM 521 N ALA A1080 -6.510 5.577 2.802 1.00 1.08 N ATOM 522 CA ALA A1080 -7.371 4.401 2.621 1.00 1.13 C ATOM 523 C ALA A1080 -7.386 3.439 3.832 1.00 1.27 C ATOM 524 O ALA A1080 -8.352 2.696 3.997 1.00 1.64 O ATOM 525 CB ALA A1080 -6.942 3.665 1.347 1.00 1.08 C ATOM 0 H ALA A1080 -5.680 5.572 2.210 1.00 1.08 H new ATOM 0 HA ALA A1080 -8.396 4.762 2.531 1.00 1.13 H new ATOM 0 HB1 ALA A1080 -7.575 2.789 1.202 1.00 1.08 H new ATOM 0 HB2 ALA A1080 -7.043 4.331 0.490 1.00 1.08 H new ATOM 0 HB3 ALA A1080 -5.903 3.350 1.441 1.00 1.08 H new ATOM 531 N GLU A1081 -6.362 3.466 4.695 1.00 1.14 N ATOM 532 CA GLU A1081 -6.322 2.731 5.978 1.00 1.23 C ATOM 533 C GLU A1081 -6.555 3.617 7.219 1.00 1.23 C ATOM 534 O GLU A1081 -6.252 3.232 8.350 1.00 1.42 O ATOM 535 CB GLU A1081 -5.094 1.809 6.067 1.00 1.66 C ATOM 536 CG GLU A1081 -5.204 0.657 5.054 1.00 2.03 C ATOM 537 CD GLU A1081 -4.259 -0.489 5.416 1.00 2.23 C ATOM 538 OE1 GLU A1081 -3.022 -0.311 5.333 1.00 3.18 O ATOM 539 OE2 GLU A1081 -4.722 -1.595 5.795 1.00 2.86 O ATOM 0 H GLU A1081 -5.517 4.010 4.522 1.00 1.14 H new ATOM 0 HA GLU A1081 -7.189 2.071 5.985 1.00 1.23 H new ATOM 0 HB2 GLU A1081 -4.187 2.383 5.875 1.00 1.66 H new ATOM 0 HB3 GLU A1081 -5.008 1.406 7.076 1.00 1.66 H new ATOM 0 HG2 GLU A1081 -6.230 0.291 5.026 1.00 2.03 H new ATOM 0 HG3 GLU A1081 -4.969 1.024 4.055 1.00 2.03 H new ATOM 546 N SER A1082 -7.091 4.825 7.020 1.00 1.20 N ATOM 547 CA SER A1082 -7.414 5.778 8.090 1.00 1.28 C ATOM 548 C SER A1082 -8.834 5.603 8.673 1.00 1.33 C ATOM 549 O SER A1082 -9.191 6.313 9.617 1.00 1.53 O ATOM 550 CB SER A1082 -7.187 7.198 7.551 1.00 1.37 C ATOM 551 OG SER A1082 -7.092 8.167 8.578 1.00 1.74 O ATOM 0 H SER A1082 -7.318 5.177 6.090 1.00 1.20 H new ATOM 0 HA SER A1082 -6.752 5.583 8.933 1.00 1.28 H new ATOM 0 HB2 SER A1082 -6.273 7.214 6.957 1.00 1.37 H new ATOM 0 HB3 SER A1082 -8.006 7.463 6.883 1.00 1.37 H new ATOM 0 HG SER A1082 -7.756 7.974 9.273 1.00 1.74 H new ATOM 557 N ASN A1083 -9.651 4.667 8.162 1.00 1.34 N ATOM 558 CA ASN A1083 -11.083 4.554 8.477 1.00 1.47 C ATOM 559 C ASN A1083 -11.418 3.491 9.544 1.00 1.63 C ATOM 560 O ASN A1083 -11.428 3.830 10.733 1.00 2.45 O ATOM 561 CB ASN A1083 -11.904 4.409 7.185 1.00 1.85 C ATOM 562 CG ASN A1083 -11.708 5.552 6.210 1.00 3.08 C ATOM 563 OD1 ASN A1083 -12.040 6.700 6.464 1.00 4.09 O ATOM 564 ND2 ASN A1083 -11.195 5.267 5.039 1.00 4.04 N ATOM 0 H ASN A1083 -9.328 3.955 7.507 1.00 1.34 H new ATOM 0 HA ASN A1083 -11.377 5.488 8.957 1.00 1.47 H new ATOM 0 HB2 ASN A1083 -11.632 3.474 6.695 1.00 1.85 H new ATOM 0 HB3 ASN A1083 -12.961 4.339 7.442 1.00 1.85 H new ATOM 0 HD21 ASN A1083 -11.074 6.002 4.343 1.00 4.04 H new ATOM 0 HD22 ASN A1083 -10.917 4.310 4.823 1.00 4.04 H new ATOM 571 N SER A1084 -11.728 2.245 9.157 1.00 1.58 N ATOM 572 CA SER A1084 -12.194 1.174 10.072 1.00 2.09 C ATOM 573 C SER A1084 -11.856 -0.243 9.571 1.00 2.21 C ATOM 574 O SER A1084 -12.731 -1.093 9.361 1.00 3.17 O ATOM 575 CB SER A1084 -13.699 1.299 10.359 1.00 2.99 C ATOM 576 OG SER A1084 -13.987 2.424 11.171 1.00 3.49 O ATOM 0 H SER A1084 -11.663 1.941 8.186 1.00 1.58 H new ATOM 0 HA SER A1084 -11.645 1.318 11.003 1.00 2.09 H new ATOM 0 HB2 SER A1084 -14.243 1.381 9.418 1.00 2.99 H new ATOM 0 HB3 SER A1084 -14.051 0.394 10.853 1.00 2.99 H new ATOM 0 HG SER A1084 -13.178 2.967 11.276 1.00 3.49 H new ATOM 582 N GLU A1085 -10.563 -0.500 9.376 1.00 1.81 N ATOM 583 CA GLU A1085 -10.013 -1.739 8.810 1.00 2.30 C ATOM 584 C GLU A1085 -8.855 -2.343 9.620 1.00 2.18 C ATOM 585 O GLU A1085 -8.913 -3.532 9.930 1.00 2.93 O ATOM 586 CB GLU A1085 -9.616 -1.542 7.333 1.00 2.98 C ATOM 587 CG GLU A1085 -8.742 -0.312 7.010 1.00 3.12 C ATOM 588 CD GLU A1085 -9.504 1.013 7.121 1.00 4.10 C ATOM 589 OE1 GLU A1085 -10.641 1.126 6.607 1.00 4.71 O ATOM 590 OE2 GLU A1085 -8.996 1.942 7.782 1.00 5.06 O ATOM 0 H GLU A1085 -9.837 0.175 9.617 1.00 1.81 H new ATOM 0 HA GLU A1085 -10.819 -2.471 8.868 1.00 2.30 H new ATOM 0 HB2 GLU A1085 -9.085 -2.434 7.001 1.00 2.98 H new ATOM 0 HB3 GLU A1085 -10.529 -1.476 6.741 1.00 2.98 H new ATOM 0 HG2 GLU A1085 -7.889 -0.292 7.688 1.00 3.12 H new ATOM 0 HG3 GLU A1085 -8.344 -0.412 6.000 1.00 3.12 H new ATOM 597 N HIS A1086 -7.814 -1.573 9.959 1.00 1.76 N ATOM 598 CA HIS A1086 -6.638 -2.065 10.686 1.00 1.86 C ATOM 599 C HIS A1086 -6.072 -0.986 11.632 1.00 1.63 C ATOM 600 O HIS A1086 -5.837 0.141 11.178 1.00 1.57 O ATOM 601 CB HIS A1086 -5.539 -2.490 9.689 1.00 2.39 C ATOM 602 CG HIS A1086 -5.891 -3.638 8.771 1.00 2.77 C ATOM 603 ND1 HIS A1086 -5.876 -3.612 7.392 1.00 3.93 N ATOM 604 CD2 HIS A1086 -6.214 -4.916 9.143 1.00 2.77 C ATOM 605 CE1 HIS A1086 -6.192 -4.837 6.943 1.00 4.17 C ATOM 606 NE2 HIS A1086 -6.407 -5.675 7.977 1.00 3.49 N ATOM 0 H HIS A1086 -7.764 -0.579 9.734 1.00 1.76 H new ATOM 0 HA HIS A1086 -6.951 -2.922 11.282 1.00 1.86 H new ATOM 0 HB2 HIS A1086 -5.277 -1.627 9.077 1.00 2.39 H new ATOM 0 HB3 HIS A1086 -4.648 -2.762 10.254 1.00 2.39 H new ATOM 0 HD1 HIS A1086 -5.661 -2.801 6.812 1.00 3.93 H new ATOM 0 HD2 HIS A1086 -6.305 -5.277 10.157 1.00 2.77 H new ATOM 0 HE1 HIS A1086 -6.264 -5.112 5.901 1.00 4.17 H new ATOM 614 N PRO A1087 -5.731 -1.302 12.899 1.00 1.80 N ATOM 615 CA PRO A1087 -5.088 -0.347 13.817 1.00 2.00 C ATOM 616 C PRO A1087 -3.656 0.036 13.392 1.00 1.75 C ATOM 617 O PRO A1087 -3.143 1.066 13.830 1.00 1.96 O ATOM 618 CB PRO A1087 -5.118 -1.030 15.189 1.00 2.51 C ATOM 619 CG PRO A1087 -5.094 -2.520 14.848 1.00 2.23 C ATOM 620 CD PRO A1087 -5.911 -2.591 13.560 1.00 2.04 C ATOM 0 HA PRO A1087 -5.620 0.605 13.822 1.00 2.00 H new ATOM 0 HB2 PRO A1087 -4.261 -0.744 15.798 1.00 2.51 H new ATOM 0 HB3 PRO A1087 -6.012 -0.762 15.751 1.00 2.51 H new ATOM 0 HG2 PRO A1087 -4.077 -2.884 14.701 1.00 2.23 H new ATOM 0 HG3 PRO A1087 -5.537 -3.123 15.641 1.00 2.23 H new ATOM 0 HD2 PRO A1087 -5.567 -3.407 12.924 1.00 2.04 H new ATOM 0 HD3 PRO A1087 -6.963 -2.776 13.775 1.00 2.04 H new ATOM 628 N LEU A1088 -3.034 -0.753 12.503 1.00 1.50 N ATOM 629 CA LEU A1088 -1.740 -0.465 11.865 1.00 1.44 C ATOM 630 C LEU A1088 -1.771 0.818 11.014 1.00 1.33 C ATOM 631 O LEU A1088 -0.772 1.532 10.927 1.00 1.49 O ATOM 632 CB LEU A1088 -1.355 -1.644 10.947 1.00 1.48 C ATOM 633 CG LEU A1088 -1.316 -3.044 11.585 1.00 1.83 C ATOM 634 CD1 LEU A1088 -0.902 -4.064 10.526 1.00 2.43 C ATOM 635 CD2 LEU A1088 -0.329 -3.121 12.747 1.00 2.02 C ATOM 0 H LEU A1088 -3.432 -1.641 12.198 1.00 1.50 H new ATOM 0 HA LEU A1088 -1.012 -0.323 12.664 1.00 1.44 H new ATOM 0 HB2 LEU A1088 -2.060 -1.670 10.116 1.00 1.48 H new ATOM 0 HB3 LEU A1088 -0.372 -1.437 10.525 1.00 1.48 H new ATOM 0 HG LEU A1088 -2.312 -3.258 11.972 1.00 1.83 H new ATOM 0 HD11 LEU A1088 -0.872 -5.059 10.971 1.00 2.43 H new ATOM 0 HD12 LEU A1088 -1.623 -4.053 9.709 1.00 2.43 H new ATOM 0 HD13 LEU A1088 0.085 -3.809 10.141 1.00 2.43 H new ATOM 0 HD21 LEU A1088 -0.337 -4.128 13.165 1.00 2.02 H new ATOM 0 HD22 LEU A1088 0.673 -2.884 12.389 1.00 2.02 H new ATOM 0 HD23 LEU A1088 -0.618 -2.406 13.518 1.00 2.02 H new ATOM 647 N GLY A1089 -2.919 1.111 10.392 1.00 1.23 N ATOM 648 CA GLY A1089 -3.082 2.235 9.466 1.00 1.28 C ATOM 649 C GLY A1089 -2.711 3.588 10.082 1.00 1.29 C ATOM 650 O GLY A1089 -2.095 4.407 9.404 1.00 1.26 O ATOM 0 H GLY A1089 -3.772 0.566 10.520 1.00 1.23 H new ATOM 0 HA2 GLY A1089 -2.464 2.063 8.585 1.00 1.28 H new ATOM 0 HA3 GLY A1089 -4.117 2.270 9.127 1.00 1.28 H new ATOM 654 N THR A1090 -2.945 3.785 11.385 1.00 1.40 N ATOM 655 CA THR A1090 -2.544 4.985 12.149 1.00 1.46 C ATOM 656 C THR A1090 -1.039 5.281 12.051 1.00 1.43 C ATOM 657 O THR A1090 -0.645 6.442 11.947 1.00 1.45 O ATOM 658 CB THR A1090 -2.956 4.832 13.623 1.00 1.63 C ATOM 659 OG1 THR A1090 -4.315 4.448 13.696 1.00 2.18 O ATOM 660 CG2 THR A1090 -2.839 6.126 14.423 1.00 2.86 C ATOM 0 H THR A1090 -3.433 3.097 11.959 1.00 1.40 H new ATOM 0 HA THR A1090 -3.063 5.833 11.703 1.00 1.46 H new ATOM 0 HB THR A1090 -2.278 4.089 14.043 1.00 1.63 H new ATOM 0 HG1 THR A1090 -4.577 4.349 14.635 1.00 2.18 H new ATOM 0 HG21 THR A1090 -3.145 5.946 15.453 1.00 2.86 H new ATOM 0 HG22 THR A1090 -1.805 6.472 14.407 1.00 2.86 H new ATOM 0 HG23 THR A1090 -3.483 6.886 13.981 1.00 2.86 H new ATOM 668 N ALA A1091 -0.189 4.249 11.988 1.00 1.43 N ATOM 669 CA ALA A1091 1.250 4.419 11.779 1.00 1.44 C ATOM 670 C ALA A1091 1.582 4.904 10.351 1.00 1.29 C ATOM 671 O ALA A1091 2.493 5.715 10.177 1.00 1.30 O ATOM 672 CB ALA A1091 1.964 3.102 12.114 1.00 1.55 C ATOM 0 H ALA A1091 -0.480 3.276 12.080 1.00 1.43 H new ATOM 0 HA ALA A1091 1.609 5.202 12.447 1.00 1.44 H new ATOM 0 HB1 ALA A1091 3.037 3.220 11.961 1.00 1.55 H new ATOM 0 HB2 ALA A1091 1.773 2.839 13.154 1.00 1.55 H new ATOM 0 HB3 ALA A1091 1.590 2.310 11.465 1.00 1.55 H new ATOM 678 N ILE A1092 0.832 4.433 9.345 1.00 1.17 N ATOM 679 CA ILE A1092 0.964 4.799 7.922 1.00 1.04 C ATOM 680 C ILE A1092 0.465 6.229 7.666 1.00 1.02 C ATOM 681 O ILE A1092 1.181 7.013 7.044 1.00 1.03 O ATOM 682 CB ILE A1092 0.224 3.781 7.013 1.00 1.01 C ATOM 683 CG1 ILE A1092 0.683 2.331 7.302 1.00 1.06 C ATOM 684 CG2 ILE A1092 0.417 4.117 5.519 1.00 1.22 C ATOM 685 CD1 ILE A1092 -0.039 1.270 6.461 1.00 1.13 C ATOM 0 H ILE A1092 0.084 3.758 9.504 1.00 1.17 H new ATOM 0 HA ILE A1092 2.024 4.767 7.669 1.00 1.04 H new ATOM 0 HB ILE A1092 -0.838 3.856 7.245 1.00 1.01 H new ATOM 0 HG12 ILE A1092 1.755 2.257 7.120 1.00 1.06 H new ATOM 0 HG13 ILE A1092 0.523 2.114 8.358 1.00 1.06 H new ATOM 0 HG21 ILE A1092 -0.114 3.385 4.910 1.00 1.22 H new ATOM 0 HG22 ILE A1092 0.022 5.113 5.316 1.00 1.22 H new ATOM 0 HG23 ILE A1092 1.479 4.091 5.274 1.00 1.22 H new ATOM 0 HD11 ILE A1092 0.338 0.281 6.721 1.00 1.13 H new ATOM 0 HD12 ILE A1092 -1.110 1.314 6.660 1.00 1.13 H new ATOM 0 HD13 ILE A1092 0.141 1.460 5.403 1.00 1.13 H new ATOM 697 N THR A1093 -0.727 6.608 8.151 1.00 1.06 N ATOM 698 CA THR A1093 -1.225 7.988 7.980 1.00 1.13 C ATOM 699 C THR A1093 -0.307 9.000 8.664 1.00 1.23 C ATOM 700 O THR A1093 0.055 9.986 8.024 1.00 1.27 O ATOM 701 CB THR A1093 -2.704 8.185 8.367 1.00 1.24 C ATOM 702 OG1 THR A1093 -3.028 9.554 8.340 1.00 2.47 O ATOM 703 CG2 THR A1093 -3.094 7.706 9.756 1.00 1.68 C ATOM 0 H THR A1093 -1.360 5.990 8.659 1.00 1.06 H new ATOM 0 HA THR A1093 -1.197 8.178 6.907 1.00 1.13 H new ATOM 0 HB THR A1093 -3.242 7.582 7.635 1.00 1.24 H new ATOM 0 HG1 THR A1093 -3.969 9.672 8.585 1.00 2.47 H new ATOM 0 HG21 THR A1093 -4.155 7.894 9.921 1.00 1.68 H new ATOM 0 HG22 THR A1093 -2.897 6.637 9.841 1.00 1.68 H new ATOM 0 HG23 THR A1093 -2.510 8.243 10.503 1.00 1.68 H new ATOM 711 N LYS A1094 0.191 8.736 9.884 1.00 1.32 N ATOM 712 CA LYS A1094 1.191 9.612 10.523 1.00 1.47 C ATOM 713 C LYS A1094 2.497 9.707 9.728 1.00 1.42 C ATOM 714 O LYS A1094 2.968 10.820 9.504 1.00 1.58 O ATOM 715 CB LYS A1094 1.439 9.203 11.977 1.00 1.65 C ATOM 716 CG LYS A1094 0.222 9.540 12.858 1.00 1.82 C ATOM 717 CD LYS A1094 0.509 9.373 14.352 1.00 2.27 C ATOM 718 CE LYS A1094 1.025 7.967 14.664 1.00 2.70 C ATOM 719 NZ LYS A1094 1.129 7.757 16.117 1.00 3.09 N ATOM 0 H LYS A1094 -0.080 7.929 10.445 1.00 1.32 H new ATOM 0 HA LYS A1094 0.768 10.617 10.526 1.00 1.47 H new ATOM 0 HB2 LYS A1094 1.645 8.134 12.028 1.00 1.65 H new ATOM 0 HB3 LYS A1094 2.322 9.716 12.358 1.00 1.65 H new ATOM 0 HG2 LYS A1094 -0.088 10.567 12.665 1.00 1.82 H new ATOM 0 HG3 LYS A1094 -0.613 8.897 12.579 1.00 1.82 H new ATOM 0 HD2 LYS A1094 1.246 10.112 14.668 1.00 2.27 H new ATOM 0 HD3 LYS A1094 -0.400 9.564 14.923 1.00 2.27 H new ATOM 0 HE2 LYS A1094 0.354 7.225 14.232 1.00 2.70 H new ATOM 0 HE3 LYS A1094 2.001 7.822 14.201 1.00 2.70 H new ATOM 0 HZ1 LYS A1094 1.481 6.797 16.305 1.00 3.09 H new ATOM 0 HZ2 LYS A1094 1.788 8.452 16.522 1.00 3.09 H new ATOM 0 HZ3 LYS A1094 0.192 7.873 16.553 1.00 3.09 H new ATOM 733 N TYR A1095 3.022 8.586 9.221 1.00 1.25 N ATOM 734 CA TYR A1095 4.206 8.570 8.348 1.00 1.21 C ATOM 735 C TYR A1095 4.002 9.447 7.098 1.00 1.22 C ATOM 736 O TYR A1095 4.869 10.257 6.764 1.00 1.35 O ATOM 737 CB TYR A1095 4.531 7.111 7.969 1.00 1.10 C ATOM 738 CG TYR A1095 5.858 6.888 7.266 1.00 1.14 C ATOM 739 CD1 TYR A1095 6.022 7.230 5.907 1.00 1.94 C ATOM 740 CD2 TYR A1095 6.926 6.295 7.968 1.00 2.48 C ATOM 741 CE1 TYR A1095 7.259 7.021 5.266 1.00 1.87 C ATOM 742 CE2 TYR A1095 8.159 6.072 7.325 1.00 2.86 C ATOM 743 CZ TYR A1095 8.335 6.449 5.978 1.00 1.76 C ATOM 744 OH TYR A1095 9.536 6.250 5.372 1.00 2.20 O ATOM 0 H TYR A1095 2.637 7.659 9.404 1.00 1.25 H new ATOM 0 HA TYR A1095 5.052 8.996 8.888 1.00 1.21 H new ATOM 0 HB2 TYR A1095 4.517 6.508 8.877 1.00 1.10 H new ATOM 0 HB3 TYR A1095 3.734 6.737 7.326 1.00 1.10 H new ATOM 0 HD1 TYR A1095 5.196 7.654 5.356 1.00 1.94 H new ATOM 0 HD2 TYR A1095 6.799 6.011 9.002 1.00 2.48 H new ATOM 0 HE1 TYR A1095 7.384 7.298 4.230 1.00 1.87 H new ATOM 0 HE2 TYR A1095 8.972 5.611 7.866 1.00 2.86 H new ATOM 0 HH TYR A1095 10.162 5.848 6.010 1.00 2.20 H new ATOM 754 N CYS A1096 2.838 9.337 6.446 1.00 1.12 N ATOM 755 CA CYS A1096 2.458 10.169 5.303 1.00 1.10 C ATOM 756 C CYS A1096 2.318 11.646 5.692 1.00 1.19 C ATOM 757 O CYS A1096 3.037 12.491 5.167 1.00 1.24 O ATOM 758 CB CYS A1096 1.165 9.615 4.686 1.00 1.06 C ATOM 759 SG CYS A1096 0.590 10.666 3.322 1.00 2.93 S ATOM 0 H CYS A1096 2.124 8.656 6.704 1.00 1.12 H new ATOM 0 HA CYS A1096 3.252 10.129 4.557 1.00 1.10 H new ATOM 0 HB2 CYS A1096 1.337 8.602 4.321 1.00 1.06 H new ATOM 0 HB3 CYS A1096 0.391 9.551 5.451 1.00 1.06 H new ATOM 0 HG CYS A1096 -0.705 10.770 3.370 1.00 2.93 H new ATOM 765 N LYS A1097 1.430 11.986 6.632 1.00 1.23 N ATOM 766 CA LYS A1097 1.091 13.386 6.918 1.00 1.36 C ATOM 767 C LYS A1097 2.257 14.182 7.513 1.00 1.28 C ATOM 768 O LYS A1097 2.351 15.375 7.240 1.00 1.30 O ATOM 769 CB LYS A1097 -0.235 13.470 7.700 1.00 1.57 C ATOM 770 CG LYS A1097 -0.198 12.964 9.149 1.00 1.57 C ATOM 771 CD LYS A1097 -0.164 14.114 10.162 1.00 1.57 C ATOM 772 CE LYS A1097 -0.230 13.597 11.612 1.00 2.44 C ATOM 773 NZ LYS A1097 -1.577 13.081 11.977 1.00 3.49 N ATOM 0 H LYS A1097 0.931 11.309 7.210 1.00 1.23 H new ATOM 0 HA LYS A1097 0.913 13.898 5.972 1.00 1.36 H new ATOM 0 HB2 LYS A1097 -0.563 14.509 7.708 1.00 1.57 H new ATOM 0 HB3 LYS A1097 -0.990 12.901 7.157 1.00 1.57 H new ATOM 0 HG2 LYS A1097 -1.073 12.342 9.337 1.00 1.57 H new ATOM 0 HG3 LYS A1097 0.679 12.332 9.289 1.00 1.57 H new ATOM 0 HD2 LYS A1097 0.748 14.694 10.024 1.00 1.57 H new ATOM 0 HD3 LYS A1097 -1.001 14.787 9.977 1.00 1.57 H new ATOM 0 HE2 LYS A1097 0.506 12.804 11.745 1.00 2.44 H new ATOM 0 HE3 LYS A1097 0.043 14.403 12.293 1.00 2.44 H new ATOM 0 HZ1 LYS A1097 -1.575 12.778 12.972 1.00 3.49 H new ATOM 0 HZ2 LYS A1097 -2.284 13.832 11.846 1.00 3.49 H new ATOM 0 HZ3 LYS A1097 -1.815 12.272 11.369 1.00 3.49 H new ATOM 787 N GLN A1098 3.193 13.528 8.208 1.00 1.25 N ATOM 788 CA GLN A1098 4.461 14.132 8.637 1.00 1.27 C ATOM 789 C GLN A1098 5.425 14.384 7.458 1.00 1.25 C ATOM 790 O GLN A1098 6.085 15.422 7.425 1.00 1.31 O ATOM 791 CB GLN A1098 5.076 13.246 9.734 1.00 1.27 C ATOM 792 CG GLN A1098 6.356 13.822 10.367 1.00 2.36 C ATOM 793 CD GLN A1098 7.665 13.420 9.684 1.00 3.52 C ATOM 794 OE1 GLN A1098 7.723 12.672 8.716 1.00 4.03 O ATOM 795 NE2 GLN A1098 8.793 13.841 10.210 1.00 4.71 N ATOM 0 H GLN A1098 3.092 12.554 8.492 1.00 1.25 H new ATOM 0 HA GLN A1098 4.268 15.122 9.049 1.00 1.27 H new ATOM 0 HB2 GLN A1098 4.335 13.091 10.518 1.00 1.27 H new ATOM 0 HB3 GLN A1098 5.302 12.267 9.311 1.00 1.27 H new ATOM 0 HG2 GLN A1098 6.284 14.910 10.365 1.00 2.36 H new ATOM 0 HG3 GLN A1098 6.399 13.507 11.410 1.00 2.36 H new ATOM 0 HE21 GLN A1098 8.778 14.465 11.017 1.00 4.71 H new ATOM 0 HE22 GLN A1098 9.684 13.544 9.812 1.00 4.71 H new ATOM 804 N GLU A1099 5.470 13.495 6.460 1.00 1.21 N ATOM 805 CA GLU A1099 6.225 13.682 5.207 1.00 1.25 C ATOM 806 C GLU A1099 5.616 14.778 4.305 1.00 1.35 C ATOM 807 O GLU A1099 6.346 15.475 3.599 1.00 1.45 O ATOM 808 CB GLU A1099 6.322 12.309 4.506 1.00 1.20 C ATOM 809 CG GLU A1099 6.903 12.276 3.086 1.00 1.59 C ATOM 810 CD GLU A1099 8.412 12.507 3.028 1.00 1.85 C ATOM 811 OE1 GLU A1099 8.940 13.443 3.671 1.00 2.15 O ATOM 812 OE2 GLU A1099 9.110 11.776 2.282 1.00 3.07 O ATOM 0 H GLU A1099 4.973 12.605 6.497 1.00 1.21 H new ATOM 0 HA GLU A1099 7.228 14.046 5.431 1.00 1.25 H new ATOM 0 HB2 GLU A1099 6.928 11.654 5.132 1.00 1.20 H new ATOM 0 HB3 GLU A1099 5.321 11.879 4.470 1.00 1.20 H new ATOM 0 HG2 GLU A1099 6.676 11.311 2.634 1.00 1.59 H new ATOM 0 HG3 GLU A1099 6.406 13.036 2.483 1.00 1.59 H new ATOM 819 N LEU A1100 4.297 15.002 4.356 1.00 1.37 N ATOM 820 CA LEU A1100 3.633 16.151 3.710 1.00 1.48 C ATOM 821 C LEU A1100 3.735 17.458 4.528 1.00 1.53 C ATOM 822 O LEU A1100 3.452 18.539 4.003 1.00 1.61 O ATOM 823 CB LEU A1100 2.132 15.843 3.499 1.00 1.51 C ATOM 824 CG LEU A1100 1.748 14.543 2.769 1.00 1.59 C ATOM 825 CD1 LEU A1100 0.252 14.519 2.457 1.00 1.71 C ATOM 826 CD2 LEU A1100 2.514 14.352 1.471 1.00 1.81 C ATOM 0 H LEU A1100 3.651 14.387 4.851 1.00 1.37 H new ATOM 0 HA LEU A1100 4.151 16.301 2.763 1.00 1.48 H new ATOM 0 HB2 LEU A1100 1.655 15.827 4.479 1.00 1.51 H new ATOM 0 HB3 LEU A1100 1.697 16.675 2.946 1.00 1.51 H new ATOM 0 HG LEU A1100 2.009 13.729 3.446 1.00 1.59 H new ATOM 0 HD11 LEU A1100 0.003 13.592 1.941 1.00 1.71 H new ATOM 0 HD12 LEU A1100 -0.314 14.581 3.386 1.00 1.71 H new ATOM 0 HD13 LEU A1100 -0.001 15.367 1.821 1.00 1.71 H new ATOM 0 HD21 LEU A1100 2.203 13.420 0.999 1.00 1.81 H new ATOM 0 HD22 LEU A1100 2.306 15.185 0.800 1.00 1.81 H new ATOM 0 HD23 LEU A1100 3.583 14.313 1.682 1.00 1.81 H new ATOM 838 N ASP A1101 4.090 17.349 5.812 1.00 1.54 N ATOM 839 CA ASP A1101 3.965 18.381 6.854 1.00 1.55 C ATOM 840 C ASP A1101 2.523 18.934 6.963 1.00 1.54 C ATOM 841 O ASP A1101 2.302 20.100 7.292 1.00 1.60 O ATOM 842 CB ASP A1101 5.080 19.444 6.776 1.00 1.61 C ATOM 843 CG ASP A1101 5.217 20.259 8.073 1.00 1.62 C ATOM 844 OD1 ASP A1101 5.103 19.677 9.182 1.00 1.63 O ATOM 845 OD2 ASP A1101 5.465 21.488 8.015 1.00 2.95 O ATOM 0 H ASP A1101 4.497 16.488 6.177 1.00 1.54 H new ATOM 0 HA ASP A1101 4.138 17.898 7.816 1.00 1.55 H new ATOM 0 HB2 ASP A1101 6.029 18.954 6.558 1.00 1.61 H new ATOM 0 HB3 ASP A1101 4.873 20.121 5.947 1.00 1.61 H new ATOM 850 N THR A1102 1.524 18.091 6.667 1.00 1.55 N ATOM 851 CA THR A1102 0.087 18.420 6.723 1.00 1.60 C ATOM 852 C THR A1102 -0.578 18.039 8.049 1.00 1.67 C ATOM 853 O THR A1102 -0.050 17.272 8.857 1.00 2.06 O ATOM 854 CB THR A1102 -0.663 17.809 5.527 1.00 1.81 C ATOM 855 OG1 THR A1102 -1.862 18.511 5.295 1.00 2.04 O ATOM 856 CG2 THR A1102 -1.042 16.340 5.670 1.00 2.08 C ATOM 0 H THR A1102 1.696 17.130 6.372 1.00 1.55 H new ATOM 0 HA THR A1102 0.022 19.506 6.660 1.00 1.60 H new ATOM 0 HB THR A1102 0.049 17.889 4.705 1.00 1.81 H new ATOM 0 HG1 THR A1102 -2.330 18.115 4.531 1.00 2.04 H new ATOM 0 HG21 THR A1102 -1.566 16.010 4.773 1.00 2.08 H new ATOM 0 HG22 THR A1102 -0.140 15.743 5.804 1.00 2.08 H new ATOM 0 HG23 THR A1102 -1.692 16.215 6.536 1.00 2.08 H new ATOM 864 N GLU A1103 -1.791 18.549 8.229 1.00 1.66 N ATOM 865 CA GLU A1103 -2.742 18.206 9.295 1.00 1.81 C ATOM 866 C GLU A1103 -4.071 17.646 8.744 1.00 1.83 C ATOM 867 O GLU A1103 -4.994 17.365 9.515 1.00 2.06 O ATOM 868 CB GLU A1103 -2.988 19.459 10.158 1.00 2.14 C ATOM 869 CG GLU A1103 -3.616 20.600 9.340 1.00 2.48 C ATOM 870 CD GLU A1103 -3.960 21.808 10.208 1.00 2.99 C ATOM 871 OE1 GLU A1103 -3.022 22.502 10.668 1.00 3.69 O ATOM 872 OE2 GLU A1103 -5.171 22.077 10.414 1.00 3.69 O ATOM 0 H GLU A1103 -2.166 19.258 7.598 1.00 1.66 H new ATOM 0 HA GLU A1103 -2.308 17.411 9.902 1.00 1.81 H new ATOM 0 HB2 GLU A1103 -3.644 19.204 10.990 1.00 2.14 H new ATOM 0 HB3 GLU A1103 -2.044 19.796 10.587 1.00 2.14 H new ATOM 0 HG2 GLU A1103 -2.925 20.904 8.554 1.00 2.48 H new ATOM 0 HG3 GLU A1103 -4.519 20.238 8.849 1.00 2.48 H new ATOM 879 N THR A1104 -4.215 17.513 7.416 1.00 1.78 N ATOM 880 CA THR A1104 -5.508 17.232 6.769 1.00 1.92 C ATOM 881 C THR A1104 -5.415 16.311 5.544 1.00 1.79 C ATOM 882 O THR A1104 -4.593 16.522 4.649 1.00 2.18 O ATOM 883 CB THR A1104 -6.203 18.562 6.437 1.00 2.08 C ATOM 884 OG1 THR A1104 -7.511 18.282 6.008 1.00 2.59 O ATOM 885 CG2 THR A1104 -5.496 19.429 5.390 1.00 2.17 C ATOM 0 H THR A1104 -3.439 17.597 6.760 1.00 1.78 H new ATOM 0 HA THR A1104 -6.110 16.667 7.481 1.00 1.92 H new ATOM 0 HB THR A1104 -6.182 19.153 7.353 1.00 2.08 H new ATOM 0 HG1 THR A1104 -7.971 19.120 5.793 1.00 2.59 H new ATOM 0 HG21 THR A1104 -6.067 20.343 5.229 1.00 2.17 H new ATOM 0 HG22 THR A1104 -4.497 19.683 5.743 1.00 2.17 H new ATOM 0 HG23 THR A1104 -5.421 18.878 4.452 1.00 2.17 H new ATOM 893 N LEU A1105 -6.253 15.266 5.525 1.00 1.50 N ATOM 894 CA LEU A1105 -6.446 14.313 4.419 1.00 1.29 C ATOM 895 C LEU A1105 -7.679 13.404 4.656 1.00 1.26 C ATOM 896 O LEU A1105 -7.951 13.008 5.797 1.00 1.69 O ATOM 897 CB LEU A1105 -5.175 13.441 4.272 1.00 1.19 C ATOM 898 CG LEU A1105 -4.469 13.587 2.912 1.00 3.25 C ATOM 899 CD1 LEU A1105 -3.148 12.814 2.920 1.00 3.00 C ATOM 900 CD2 LEU A1105 -5.319 13.068 1.751 1.00 5.58 C ATOM 0 H LEU A1105 -6.848 15.049 6.324 1.00 1.50 H new ATOM 0 HA LEU A1105 -6.623 14.880 3.505 1.00 1.29 H new ATOM 0 HB2 LEU A1105 -4.473 13.703 5.064 1.00 1.19 H new ATOM 0 HB3 LEU A1105 -5.445 12.395 4.419 1.00 1.19 H new ATOM 0 HG LEU A1105 -4.297 14.653 2.765 1.00 3.25 H new ATOM 0 HD11 LEU A1105 -2.656 12.924 1.953 1.00 3.00 H new ATOM 0 HD12 LEU A1105 -2.500 13.208 3.703 1.00 3.00 H new ATOM 0 HD13 LEU A1105 -3.345 11.759 3.109 1.00 3.00 H new ATOM 0 HD21 LEU A1105 -4.774 13.195 0.816 1.00 5.58 H new ATOM 0 HD22 LEU A1105 -5.537 12.011 1.904 1.00 5.58 H new ATOM 0 HD23 LEU A1105 -6.253 13.628 1.705 1.00 5.58 H new ATOM 912 N GLY A1106 -8.381 13.000 3.589 1.00 1.03 N ATOM 913 CA GLY A1106 -9.521 12.067 3.666 1.00 1.04 C ATOM 914 C GLY A1106 -10.145 11.676 2.320 1.00 1.14 C ATOM 915 O GLY A1106 -9.963 12.392 1.331 1.00 1.75 O ATOM 0 H GLY A1106 -8.175 13.312 2.640 1.00 1.03 H new ATOM 0 HA2 GLY A1106 -9.192 11.159 4.172 1.00 1.04 H new ATOM 0 HA3 GLY A1106 -10.295 12.516 4.289 1.00 1.04 H new ATOM 919 N THR A1107 -10.851 10.539 2.272 1.00 0.93 N ATOM 920 CA THR A1107 -11.474 9.961 1.073 1.00 1.12 C ATOM 921 C THR A1107 -12.792 9.232 1.373 1.00 1.03 C ATOM 922 O THR A1107 -12.980 8.678 2.461 1.00 1.32 O ATOM 923 CB THR A1107 -10.543 8.984 0.314 1.00 1.55 C ATOM 924 OG1 THR A1107 -10.235 7.804 1.021 1.00 1.81 O ATOM 925 CG2 THR A1107 -9.216 9.596 -0.137 1.00 1.99 C ATOM 0 H THR A1107 -11.011 9.971 3.104 1.00 0.93 H new ATOM 0 HA THR A1107 -11.677 10.825 0.441 1.00 1.12 H new ATOM 0 HB THR A1107 -11.150 8.741 -0.558 1.00 1.55 H new ATOM 0 HG1 THR A1107 -9.647 7.241 0.476 1.00 1.81 H new ATOM 0 HG21 THR A1107 -8.627 8.843 -0.660 1.00 1.99 H new ATOM 0 HG22 THR A1107 -9.411 10.434 -0.807 1.00 1.99 H new ATOM 0 HG23 THR A1107 -8.663 9.949 0.734 1.00 1.99 H new ATOM 933 N CYS A1108 -13.702 9.209 0.392 1.00 1.05 N ATOM 934 CA CYS A1108 -14.860 8.302 0.383 1.00 1.08 C ATOM 935 C CYS A1108 -14.418 7.062 -0.417 1.00 0.97 C ATOM 936 O CYS A1108 -13.836 7.208 -1.499 1.00 1.02 O ATOM 937 CB CYS A1108 -16.109 9.005 -0.165 1.00 1.22 C ATOM 938 SG CYS A1108 -17.498 7.833 -0.166 1.00 3.00 S ATOM 0 H CYS A1108 -13.657 9.821 -0.423 1.00 1.05 H new ATOM 0 HA CYS A1108 -15.159 7.992 1.384 1.00 1.08 H new ATOM 0 HB2 CYS A1108 -16.351 9.874 0.447 1.00 1.22 H new ATOM 0 HB3 CYS A1108 -15.923 9.369 -1.176 1.00 1.22 H new ATOM 0 HG CYS A1108 -18.562 8.421 -0.627 1.00 3.00 H new ATOM 944 N ILE A1109 -14.662 5.854 0.107 1.00 0.90 N ATOM 945 CA ILE A1109 -14.024 4.625 -0.327 1.00 0.73 C ATOM 946 C ILE A1109 -14.919 3.394 -0.161 1.00 0.71 C ATOM 947 O ILE A1109 -15.586 3.226 0.865 1.00 0.80 O ATOM 948 CB ILE A1109 -12.654 4.498 0.419 1.00 0.65 C ATOM 949 CG1 ILE A1109 -12.079 3.063 0.454 1.00 2.04 C ATOM 950 CG2 ILE A1109 -12.713 5.063 1.858 1.00 2.21 C ATOM 951 CD1 ILE A1109 -10.621 2.988 0.935 1.00 2.43 C ATOM 0 H ILE A1109 -15.329 5.711 0.865 1.00 0.90 H new ATOM 0 HA ILE A1109 -13.843 4.672 -1.401 1.00 0.73 H new ATOM 0 HB ILE A1109 -11.973 5.103 -0.179 1.00 0.65 H new ATOM 0 HG12 ILE A1109 -12.699 2.450 1.108 1.00 2.04 H new ATOM 0 HG13 ILE A1109 -12.145 2.631 -0.545 1.00 2.04 H new ATOM 0 HG21 ILE A1109 -11.738 4.951 2.333 1.00 2.21 H new ATOM 0 HG22 ILE A1109 -12.981 6.119 1.824 1.00 2.21 H new ATOM 0 HG23 ILE A1109 -13.461 4.517 2.433 1.00 2.21 H new ATOM 0 HD11 ILE A1109 -10.290 1.950 0.932 1.00 2.43 H new ATOM 0 HD12 ILE A1109 -9.987 3.573 0.268 1.00 2.43 H new ATOM 0 HD13 ILE A1109 -10.550 3.388 1.946 1.00 2.43 H new ATOM 963 N ASP A1110 -14.901 2.509 -1.160 1.00 0.72 N ATOM 964 CA ASP A1110 -15.654 1.238 -1.165 1.00 0.79 C ATOM 965 C ASP A1110 -14.685 0.059 -0.963 1.00 0.72 C ATOM 966 O ASP A1110 -14.104 -0.440 -1.924 1.00 0.65 O ATOM 967 CB ASP A1110 -16.475 1.135 -2.461 1.00 0.93 C ATOM 968 CG ASP A1110 -17.299 -0.155 -2.547 1.00 1.05 C ATOM 969 OD1 ASP A1110 -17.952 -0.535 -1.545 1.00 2.03 O ATOM 970 OD2 ASP A1110 -17.344 -0.770 -3.641 1.00 1.82 O ATOM 0 H ASP A1110 -14.354 2.652 -2.009 1.00 0.72 H new ATOM 0 HA ASP A1110 -16.362 1.206 -0.337 1.00 0.79 H new ATOM 0 HB2 ASP A1110 -17.144 1.992 -2.530 1.00 0.93 H new ATOM 0 HB3 ASP A1110 -15.801 1.187 -3.316 1.00 0.93 H new ATOM 975 N PHE A1111 -14.461 -0.316 0.298 1.00 0.90 N ATOM 976 CA PHE A1111 -13.402 -1.221 0.772 1.00 0.88 C ATOM 977 C PHE A1111 -13.813 -2.708 0.778 1.00 0.94 C ATOM 978 O PHE A1111 -14.665 -3.105 1.572 1.00 1.09 O ATOM 979 CB PHE A1111 -13.029 -0.716 2.180 1.00 0.97 C ATOM 980 CG PHE A1111 -11.720 -1.200 2.775 1.00 1.01 C ATOM 981 CD1 PHE A1111 -11.629 -2.450 3.419 1.00 2.86 C ATOM 982 CD2 PHE A1111 -10.606 -0.339 2.782 1.00 1.66 C ATOM 983 CE1 PHE A1111 -10.429 -2.826 4.052 1.00 2.96 C ATOM 984 CE2 PHE A1111 -9.400 -0.731 3.375 1.00 1.64 C ATOM 985 CZ PHE A1111 -9.310 -1.978 4.013 1.00 1.26 C ATOM 0 H PHE A1111 -15.045 0.021 1.063 1.00 0.90 H new ATOM 0 HA PHE A1111 -12.551 -1.197 0.091 1.00 0.88 H new ATOM 0 HB2 PHE A1111 -13.002 0.373 2.150 1.00 0.97 H new ATOM 0 HB3 PHE A1111 -13.832 -0.997 2.861 1.00 0.97 H new ATOM 0 HD1 PHE A1111 -12.478 -3.118 3.427 1.00 2.86 H new ATOM 0 HD2 PHE A1111 -10.683 0.636 2.324 1.00 1.66 H new ATOM 0 HE1 PHE A1111 -10.369 -3.772 4.570 1.00 2.96 H new ATOM 0 HE2 PHE A1111 -8.542 -0.076 3.342 1.00 1.64 H new ATOM 0 HZ PHE A1111 -8.382 -2.285 4.473 1.00 1.26 H new ATOM 995 N GLN A1112 -13.195 -3.547 -0.062 1.00 0.94 N ATOM 996 CA GLN A1112 -13.460 -4.993 -0.172 1.00 0.99 C ATOM 997 C GLN A1112 -12.323 -5.807 0.473 1.00 0.94 C ATOM 998 O GLN A1112 -11.158 -5.431 0.361 1.00 0.76 O ATOM 999 CB GLN A1112 -13.640 -5.407 -1.648 1.00 1.04 C ATOM 1000 CG GLN A1112 -14.488 -4.457 -2.513 1.00 1.49 C ATOM 1001 CD GLN A1112 -15.891 -4.226 -1.970 1.00 1.80 C ATOM 1002 OE1 GLN A1112 -16.180 -3.234 -1.315 1.00 2.87 O ATOM 1003 NE2 GLN A1112 -16.815 -5.132 -2.194 1.00 2.44 N ATOM 0 H GLN A1112 -12.471 -3.230 -0.707 1.00 0.94 H new ATOM 0 HA GLN A1112 -14.386 -5.206 0.363 1.00 0.99 H new ATOM 0 HB2 GLN A1112 -12.654 -5.498 -2.103 1.00 1.04 H new ATOM 0 HB3 GLN A1112 -14.096 -6.397 -1.675 1.00 1.04 H new ATOM 0 HG2 GLN A1112 -13.976 -3.498 -2.593 1.00 1.49 H new ATOM 0 HG3 GLN A1112 -14.560 -4.865 -3.521 1.00 1.49 H new ATOM 0 HE21 GLN A1112 -16.591 -5.965 -2.738 1.00 2.44 H new ATOM 0 HE22 GLN A1112 -17.757 -5.003 -1.824 1.00 2.44 H new ATOM 1012 N VAL A1113 -12.634 -6.931 1.133 1.00 1.25 N ATOM 1013 CA VAL A1113 -11.665 -7.666 1.976 1.00 1.22 C ATOM 1014 C VAL A1113 -11.584 -9.152 1.615 1.00 1.27 C ATOM 1015 O VAL A1113 -12.446 -9.933 2.025 1.00 1.39 O ATOM 1016 CB VAL A1113 -12.004 -7.486 3.475 1.00 1.44 C ATOM 1017 CG1 VAL A1113 -10.939 -8.127 4.377 1.00 1.42 C ATOM 1018 CG2 VAL A1113 -12.133 -6.009 3.858 1.00 1.57 C ATOM 0 H VAL A1113 -13.559 -7.360 1.102 1.00 1.25 H new ATOM 0 HA VAL A1113 -10.682 -7.238 1.780 1.00 1.22 H new ATOM 0 HB VAL A1113 -12.962 -7.984 3.627 1.00 1.44 H new ATOM 0 HG11 VAL A1113 -11.211 -7.980 5.422 1.00 1.42 H new ATOM 0 HG12 VAL A1113 -10.877 -9.194 4.165 1.00 1.42 H new ATOM 0 HG13 VAL A1113 -9.972 -7.662 4.185 1.00 1.42 H new ATOM 0 HG21 VAL A1113 -12.371 -5.928 4.918 1.00 1.57 H new ATOM 0 HG22 VAL A1113 -11.192 -5.498 3.657 1.00 1.57 H new ATOM 0 HG23 VAL A1113 -12.928 -5.549 3.271 1.00 1.57 H new ATOM 1028 N VAL A1114 -10.520 -9.561 0.912 1.00 1.34 N ATOM 1029 CA VAL A1114 -10.220 -10.977 0.620 1.00 1.48 C ATOM 1030 C VAL A1114 -9.248 -11.518 1.684 1.00 1.43 C ATOM 1031 O VAL A1114 -8.112 -11.033 1.728 1.00 1.08 O ATOM 1032 CB VAL A1114 -9.638 -11.173 -0.793 1.00 1.45 C ATOM 1033 CG1 VAL A1114 -9.630 -12.664 -1.151 1.00 1.98 C ATOM 1034 CG2 VAL A1114 -10.456 -10.434 -1.855 1.00 2.21 C ATOM 0 H VAL A1114 -9.833 -8.914 0.524 1.00 1.34 H new ATOM 0 HA VAL A1114 -11.156 -11.535 0.653 1.00 1.48 H new ATOM 0 HB VAL A1114 -8.626 -10.769 -0.782 1.00 1.45 H new ATOM 0 HG11 VAL A1114 -9.217 -12.796 -2.151 1.00 1.98 H new ATOM 0 HG12 VAL A1114 -9.018 -13.208 -0.431 1.00 1.98 H new ATOM 0 HG13 VAL A1114 -10.649 -13.050 -1.125 1.00 1.98 H new ATOM 0 HG21 VAL A1114 -10.011 -10.599 -2.836 1.00 2.21 H new ATOM 0 HG22 VAL A1114 -11.479 -10.810 -1.853 1.00 2.21 H new ATOM 0 HG23 VAL A1114 -10.461 -9.367 -1.633 1.00 2.21 H new ATOM 1044 N PRO A1115 -9.634 -12.495 2.535 1.00 1.89 N ATOM 1045 CA PRO A1115 -8.863 -12.909 3.715 1.00 1.94 C ATOM 1046 C PRO A1115 -7.408 -13.325 3.443 1.00 1.63 C ATOM 1047 O PRO A1115 -7.123 -14.432 2.974 1.00 2.02 O ATOM 1048 CB PRO A1115 -9.679 -14.025 4.381 1.00 2.60 C ATOM 1049 CG PRO A1115 -11.110 -13.663 4.006 1.00 2.74 C ATOM 1050 CD PRO A1115 -10.949 -13.124 2.588 1.00 2.45 C ATOM 0 HA PRO A1115 -8.731 -12.049 4.371 1.00 1.94 H new ATOM 0 HB2 PRO A1115 -9.399 -15.010 4.007 1.00 2.60 H new ATOM 0 HB3 PRO A1115 -9.535 -14.042 5.461 1.00 2.60 H new ATOM 0 HG2 PRO A1115 -11.770 -14.529 4.039 1.00 2.74 H new ATOM 0 HG3 PRO A1115 -11.530 -12.916 4.680 1.00 2.74 H new ATOM 0 HD2 PRO A1115 -11.025 -13.928 1.856 1.00 2.45 H new ATOM 0 HD3 PRO A1115 -11.734 -12.404 2.354 1.00 2.45 H new ATOM 1058 N GLY A1116 -6.481 -12.412 3.740 1.00 1.55 N ATOM 1059 CA GLY A1116 -5.030 -12.566 3.595 1.00 1.74 C ATOM 1060 C GLY A1116 -4.488 -12.361 2.173 1.00 1.49 C ATOM 1061 O GLY A1116 -3.281 -12.177 2.006 1.00 2.08 O ATOM 0 H GLY A1116 -6.735 -11.495 4.108 1.00 1.55 H new ATOM 0 HA2 GLY A1116 -4.538 -11.856 4.260 1.00 1.74 H new ATOM 0 HA3 GLY A1116 -4.752 -13.565 3.932 1.00 1.74 H new ATOM 1065 N CYS A1117 -5.341 -12.336 1.146 1.00 1.06 N ATOM 1066 CA CYS A1117 -4.917 -12.184 -0.252 1.00 1.00 C ATOM 1067 C CYS A1117 -4.734 -10.710 -0.645 1.00 1.02 C ATOM 1068 O CYS A1117 -3.694 -10.348 -1.196 1.00 1.01 O ATOM 1069 CB CYS A1117 -5.921 -12.892 -1.173 1.00 1.13 C ATOM 1070 SG CYS A1117 -6.134 -14.634 -0.694 1.00 1.45 S ATOM 0 H CYS A1117 -6.351 -12.421 1.259 1.00 1.06 H new ATOM 0 HA CYS A1117 -3.940 -12.653 -0.366 1.00 1.00 H new ATOM 0 HB2 CYS A1117 -6.882 -12.380 -1.130 1.00 1.13 H new ATOM 0 HB3 CYS A1117 -5.575 -12.835 -2.205 1.00 1.13 H new ATOM 0 HG CYS A1117 -6.990 -15.202 -1.491 1.00 1.45 H new ATOM 1076 N GLY A1118 -5.710 -9.851 -0.332 1.00 1.11 N ATOM 1077 CA GLY A1118 -5.625 -8.423 -0.635 1.00 1.20 C ATOM 1078 C GLY A1118 -6.918 -7.630 -0.441 1.00 1.14 C ATOM 1079 O GLY A1118 -7.996 -8.181 -0.199 1.00 1.45 O ATOM 0 H GLY A1118 -6.574 -10.126 0.135 1.00 1.11 H new ATOM 0 HA2 GLY A1118 -4.851 -7.982 -0.007 1.00 1.20 H new ATOM 0 HA3 GLY A1118 -5.300 -8.308 -1.669 1.00 1.20 H new ATOM 1083 N ILE A1119 -6.780 -6.309 -0.570 1.00 0.84 N ATOM 1084 CA ILE A1119 -7.826 -5.301 -0.391 1.00 0.75 C ATOM 1085 C ILE A1119 -8.024 -4.506 -1.687 1.00 0.66 C ATOM 1086 O ILE A1119 -7.193 -3.662 -2.029 1.00 0.89 O ATOM 1087 CB ILE A1119 -7.456 -4.334 0.765 1.00 0.77 C ATOM 1088 CG1 ILE A1119 -7.096 -5.029 2.099 1.00 1.04 C ATOM 1089 CG2 ILE A1119 -8.550 -3.278 0.984 1.00 0.76 C ATOM 1090 CD1 ILE A1119 -8.181 -5.919 2.713 1.00 2.19 C ATOM 0 H ILE A1119 -5.883 -5.890 -0.816 1.00 0.84 H new ATOM 0 HA ILE A1119 -8.755 -5.812 -0.140 1.00 0.75 H new ATOM 0 HB ILE A1119 -6.541 -3.843 0.433 1.00 0.77 H new ATOM 0 HG12 ILE A1119 -6.205 -5.636 1.939 1.00 1.04 H new ATOM 0 HG13 ILE A1119 -6.832 -4.260 2.825 1.00 1.04 H new ATOM 0 HG21 ILE A1119 -8.259 -2.617 1.801 1.00 0.76 H new ATOM 0 HG22 ILE A1119 -8.680 -2.694 0.073 1.00 0.76 H new ATOM 0 HG23 ILE A1119 -9.488 -3.773 1.234 1.00 0.76 H new ATOM 0 HD11 ILE A1119 -7.814 -6.351 3.644 1.00 2.19 H new ATOM 0 HD12 ILE A1119 -9.070 -5.322 2.916 1.00 2.19 H new ATOM 0 HD13 ILE A1119 -8.433 -6.719 2.016 1.00 2.19 H new ATOM 1102 N SER A1120 -9.103 -4.788 -2.420 1.00 0.99 N ATOM 1103 CA SER A1120 -9.562 -3.931 -3.526 1.00 0.86 C ATOM 1104 C SER A1120 -10.454 -2.813 -2.974 1.00 0.79 C ATOM 1105 O SER A1120 -11.347 -3.068 -2.167 1.00 0.89 O ATOM 1106 CB SER A1120 -10.276 -4.733 -4.619 1.00 0.89 C ATOM 1107 OG SER A1120 -10.650 -3.879 -5.686 1.00 1.52 O ATOM 0 H SER A1120 -9.684 -5.612 -2.268 1.00 0.99 H new ATOM 0 HA SER A1120 -8.687 -3.484 -3.999 1.00 0.86 H new ATOM 0 HB2 SER A1120 -9.621 -5.523 -4.988 1.00 0.89 H new ATOM 0 HB3 SER A1120 -11.160 -5.219 -4.205 1.00 0.89 H new ATOM 0 HG SER A1120 -11.104 -4.402 -6.380 1.00 1.52 H new ATOM 1113 N CYS A1121 -10.213 -1.561 -3.370 1.00 0.68 N ATOM 1114 CA CYS A1121 -11.025 -0.421 -2.935 1.00 0.68 C ATOM 1115 C CYS A1121 -11.243 0.642 -4.033 1.00 0.60 C ATOM 1116 O CYS A1121 -10.563 0.612 -5.068 1.00 0.60 O ATOM 1117 CB CYS A1121 -10.432 0.120 -1.622 1.00 0.82 C ATOM 1118 SG CYS A1121 -8.860 0.965 -1.922 1.00 0.88 S ATOM 0 H CYS A1121 -9.451 -1.309 -4.000 1.00 0.68 H new ATOM 0 HA CYS A1121 -12.043 -0.756 -2.737 1.00 0.68 H new ATOM 0 HB2 CYS A1121 -11.137 0.809 -1.157 1.00 0.82 H new ATOM 0 HB3 CYS A1121 -10.280 -0.701 -0.922 1.00 0.82 H new ATOM 0 HG CYS A1121 -8.174 0.304 -2.807 1.00 0.88 H new ATOM 1124 N LYS A1122 -12.176 1.591 -3.823 1.00 0.62 N ATOM 1125 CA LYS A1122 -12.332 2.785 -4.677 1.00 0.69 C ATOM 1126 C LYS A1122 -11.938 3.977 -3.820 1.00 0.76 C ATOM 1127 O LYS A1122 -12.282 3.928 -2.645 1.00 1.03 O ATOM 1128 CB LYS A1122 -13.796 2.976 -5.120 1.00 0.84 C ATOM 1129 CG LYS A1122 -14.359 1.946 -6.105 1.00 1.20 C ATOM 1130 CD LYS A1122 -13.601 1.934 -7.440 1.00 1.25 C ATOM 1131 CE LYS A1122 -14.342 1.171 -8.550 1.00 1.67 C ATOM 1132 NZ LYS A1122 -15.607 1.833 -8.942 1.00 3.21 N ATOM 0 H LYS A1122 -12.845 1.551 -3.054 1.00 0.62 H new ATOM 0 HA LYS A1122 -11.719 2.681 -5.573 1.00 0.69 H new ATOM 0 HB2 LYS A1122 -14.424 2.973 -4.229 1.00 0.84 H new ATOM 0 HB3 LYS A1122 -13.888 3.964 -5.571 1.00 0.84 H new ATOM 0 HG2 LYS A1122 -14.312 0.954 -5.655 1.00 1.20 H new ATOM 0 HG3 LYS A1122 -15.411 2.162 -6.290 1.00 1.20 H new ATOM 0 HD2 LYS A1122 -13.433 2.961 -7.764 1.00 1.25 H new ATOM 0 HD3 LYS A1122 -12.620 1.482 -7.290 1.00 1.25 H new ATOM 0 HE2 LYS A1122 -13.695 1.085 -9.423 1.00 1.67 H new ATOM 0 HE3 LYS A1122 -14.555 0.158 -8.210 1.00 1.67 H new ATOM 0 HZ1 LYS A1122 -15.772 1.692 -9.959 1.00 3.21 H new ATOM 0 HZ2 LYS A1122 -16.396 1.421 -8.403 1.00 3.21 H new ATOM 0 HZ3 LYS A1122 -15.543 2.851 -8.739 1.00 3.21 H new ATOM 1146 N VAL A1123 -11.297 5.022 -4.348 1.00 0.67 N ATOM 1147 CA VAL A1123 -11.072 6.279 -3.608 1.00 0.68 C ATOM 1148 C VAL A1123 -11.522 7.500 -4.408 1.00 0.79 C ATOM 1149 O VAL A1123 -11.351 7.561 -5.626 1.00 0.86 O ATOM 1150 CB VAL A1123 -9.614 6.437 -3.120 1.00 0.68 C ATOM 1151 CG1 VAL A1123 -9.225 5.337 -2.128 1.00 2.60 C ATOM 1152 CG2 VAL A1123 -8.578 6.471 -4.245 1.00 2.34 C ATOM 0 H VAL A1123 -10.919 5.028 -5.295 1.00 0.67 H new ATOM 0 HA VAL A1123 -11.696 6.216 -2.716 1.00 0.68 H new ATOM 0 HB VAL A1123 -9.599 7.410 -2.628 1.00 0.68 H new ATOM 0 HG11 VAL A1123 -8.193 5.483 -1.809 1.00 2.60 H new ATOM 0 HG12 VAL A1123 -9.883 5.380 -1.260 1.00 2.60 H new ATOM 0 HG13 VAL A1123 -9.322 4.363 -2.608 1.00 2.60 H new ATOM 0 HG21 VAL A1123 -7.581 6.584 -3.818 1.00 2.34 H new ATOM 0 HG22 VAL A1123 -8.627 5.542 -4.813 1.00 2.34 H new ATOM 0 HG23 VAL A1123 -8.787 7.312 -4.907 1.00 2.34 H new ATOM 1162 N THR A1124 -12.076 8.495 -3.713 1.00 0.85 N ATOM 1163 CA THR A1124 -12.360 9.832 -4.261 1.00 0.93 C ATOM 1164 C THR A1124 -12.102 10.893 -3.184 1.00 0.96 C ATOM 1165 O THR A1124 -11.710 10.534 -2.076 1.00 1.05 O ATOM 1166 CB THR A1124 -13.786 9.927 -4.838 1.00 1.01 C ATOM 1167 OG1 THR A1124 -13.808 10.990 -5.767 1.00 1.11 O ATOM 1168 CG2 THR A1124 -14.864 10.177 -3.776 1.00 1.10 C ATOM 0 H THR A1124 -12.347 8.397 -2.734 1.00 0.85 H new ATOM 0 HA THR A1124 -11.686 10.017 -5.097 1.00 0.93 H new ATOM 0 HB THR A1124 -14.019 8.966 -5.298 1.00 1.01 H new ATOM 0 HG1 THR A1124 -14.706 11.071 -6.151 1.00 1.11 H new ATOM 0 HG21 THR A1124 -15.841 10.232 -4.256 1.00 1.10 H new ATOM 0 HG22 THR A1124 -14.860 9.361 -3.054 1.00 1.10 H new ATOM 0 HG23 THR A1124 -14.658 11.116 -3.263 1.00 1.10 H new ATOM 1176 N ASN A1125 -12.364 12.173 -3.470 1.00 1.04 N ATOM 1177 CA ASN A1125 -12.019 13.346 -2.661 1.00 1.10 C ATOM 1178 C ASN A1125 -10.551 13.796 -2.831 1.00 1.44 C ATOM 1179 O ASN A1125 -10.049 14.563 -2.006 1.00 1.73 O ATOM 1180 CB ASN A1125 -12.458 13.166 -1.190 1.00 1.16 C ATOM 1181 CG ASN A1125 -12.634 14.475 -0.456 1.00 2.03 C ATOM 1182 OD1 ASN A1125 -13.417 15.339 -0.830 1.00 2.74 O ATOM 1183 ND2 ASN A1125 -11.925 14.652 0.625 1.00 2.94 N ATOM 0 H ASN A1125 -12.853 12.433 -4.326 1.00 1.04 H new ATOM 0 HA ASN A1125 -12.597 14.184 -3.050 1.00 1.10 H new ATOM 0 HB2 ASN A1125 -13.397 12.613 -1.163 1.00 1.16 H new ATOM 0 HB3 ASN A1125 -11.717 12.561 -0.668 1.00 1.16 H new ATOM 0 HD21 ASN A1125 -12.022 15.513 1.163 1.00 2.94 H new ATOM 0 HD22 ASN A1125 -11.274 13.929 0.932 1.00 2.94 H new ATOM 1951 N GLN A1177 -12.624 9.390 -9.754 1.00 1.84 N ATOM 1952 CA GLN A1177 -12.602 8.224 -8.859 1.00 1.52 C ATOM 1953 C GLN A1177 -11.517 7.219 -9.292 1.00 1.41 C ATOM 1954 O GLN A1177 -11.424 6.861 -10.471 1.00 1.67 O ATOM 1955 CB GLN A1177 -13.995 7.580 -8.842 1.00 1.60 C ATOM 1956 CG GLN A1177 -14.158 6.423 -7.843 1.00 2.30 C ATOM 1957 CD GLN A1177 -15.514 5.766 -7.989 1.00 2.70 C ATOM 1958 OE1 GLN A1177 -15.677 4.685 -8.545 1.00 3.48 O ATOM 1959 NE2 GLN A1177 -16.569 6.392 -7.546 1.00 2.53 N ATOM 0 HA GLN A1177 -12.351 8.545 -7.848 1.00 1.52 H new ATOM 0 HB2 GLN A1177 -14.732 8.348 -8.610 1.00 1.60 H new ATOM 0 HB3 GLN A1177 -14.222 7.212 -9.843 1.00 1.60 H new ATOM 0 HG2 GLN A1177 -13.373 5.684 -8.005 1.00 2.30 H new ATOM 0 HG3 GLN A1177 -14.039 6.797 -6.826 1.00 2.30 H new ATOM 0 HE21 GLN A1177 -16.469 7.293 -7.079 1.00 2.53 H new ATOM 0 HE22 GLN A1177 -17.494 5.980 -7.667 1.00 2.53 H new ATOM 1968 N TYR A1178 -10.715 6.745 -8.341 1.00 1.09 N ATOM 1969 CA TYR A1178 -9.577 5.840 -8.564 1.00 0.91 C ATOM 1970 C TYR A1178 -9.812 4.441 -7.975 1.00 0.70 C ATOM 1971 O TYR A1178 -10.427 4.303 -6.921 1.00 0.71 O ATOM 1972 CB TYR A1178 -8.310 6.469 -7.962 1.00 1.07 C ATOM 1973 CG TYR A1178 -7.583 7.554 -8.746 1.00 1.07 C ATOM 1974 CD1 TYR A1178 -8.090 8.115 -9.937 1.00 2.21 C ATOM 1975 CD2 TYR A1178 -6.352 8.008 -8.239 1.00 1.72 C ATOM 1976 CE1 TYR A1178 -7.360 9.108 -10.625 1.00 2.42 C ATOM 1977 CE2 TYR A1178 -5.619 9.000 -8.920 1.00 1.80 C ATOM 1978 CZ TYR A1178 -6.121 9.556 -10.117 1.00 1.55 C ATOM 1979 OH TYR A1178 -5.412 10.519 -10.769 1.00 1.87 O ATOM 0 H TYR A1178 -10.839 6.986 -7.358 1.00 1.09 H new ATOM 0 HA TYR A1178 -9.458 5.708 -9.639 1.00 0.91 H new ATOM 0 HB2 TYR A1178 -8.579 6.887 -6.992 1.00 1.07 H new ATOM 0 HB3 TYR A1178 -7.599 5.664 -7.776 1.00 1.07 H new ATOM 0 HD1 TYR A1178 -9.042 7.783 -10.324 1.00 2.21 H new ATOM 0 HD2 TYR A1178 -5.965 7.593 -7.320 1.00 1.72 H new ATOM 0 HE1 TYR A1178 -7.750 9.526 -11.541 1.00 2.42 H new ATOM 0 HE2 TYR A1178 -4.671 9.336 -8.526 1.00 1.80 H new ATOM 0 HH TYR A1178 -4.585 10.706 -10.278 1.00 1.87 H new ATOM 1989 N LYS A1179 -9.263 3.404 -8.617 1.00 0.66 N ATOM 1990 CA LYS A1179 -9.205 2.020 -8.102 1.00 0.65 C ATOM 1991 C LYS A1179 -7.840 1.736 -7.477 1.00 0.66 C ATOM 1992 O LYS A1179 -6.824 2.032 -8.101 1.00 0.87 O ATOM 1993 CB LYS A1179 -9.496 1.043 -9.253 1.00 0.87 C ATOM 1994 CG LYS A1179 -10.992 1.019 -9.598 1.00 1.53 C ATOM 1995 CD LYS A1179 -11.290 0.487 -10.999 1.00 3.06 C ATOM 1996 CE LYS A1179 -10.818 -0.959 -11.192 1.00 2.70 C ATOM 1997 NZ LYS A1179 -11.068 -1.415 -12.578 1.00 3.21 N ATOM 0 H LYS A1179 -8.833 3.501 -9.537 1.00 0.66 H new ATOM 0 HA LYS A1179 -9.957 1.890 -7.324 1.00 0.65 H new ATOM 0 HB2 LYS A1179 -8.922 1.333 -10.133 1.00 0.87 H new ATOM 0 HB3 LYS A1179 -9.168 0.041 -8.975 1.00 0.87 H new ATOM 0 HG2 LYS A1179 -11.515 0.403 -8.866 1.00 1.53 H new ATOM 0 HG3 LYS A1179 -11.393 2.029 -9.509 1.00 1.53 H new ATOM 0 HD2 LYS A1179 -12.363 0.543 -11.185 1.00 3.06 H new ATOM 0 HD3 LYS A1179 -10.805 1.126 -11.737 1.00 3.06 H new ATOM 0 HE2 LYS A1179 -9.754 -1.032 -10.967 1.00 2.70 H new ATOM 0 HE3 LYS A1179 -11.337 -1.612 -10.491 1.00 2.70 H new ATOM 0 HZ1 LYS A1179 -10.740 -2.396 -12.685 1.00 3.21 H new ATOM 0 HZ2 LYS A1179 -12.087 -1.366 -12.781 1.00 3.21 H new ATOM 0 HZ3 LYS A1179 -10.553 -0.804 -13.243 1.00 3.21 H new ATOM 2011 N VAL A1180 -7.793 1.166 -6.269 1.00 0.58 N ATOM 2012 CA VAL A1180 -6.531 0.869 -5.555 1.00 0.58 C ATOM 2013 C VAL A1180 -6.560 -0.541 -4.959 1.00 0.54 C ATOM 2014 O VAL A1180 -7.579 -0.965 -4.410 1.00 0.62 O ATOM 2015 CB VAL A1180 -6.229 1.916 -4.458 1.00 0.66 C ATOM 2016 CG1 VAL A1180 -4.818 1.751 -3.877 1.00 1.70 C ATOM 2017 CG2 VAL A1180 -6.364 3.361 -4.958 1.00 1.12 C ATOM 0 H VAL A1180 -8.628 0.894 -5.750 1.00 0.58 H new ATOM 0 HA VAL A1180 -5.726 0.920 -6.288 1.00 0.58 H new ATOM 0 HB VAL A1180 -6.976 1.732 -3.686 1.00 0.66 H new ATOM 0 HG11 VAL A1180 -4.649 2.507 -3.110 1.00 1.70 H new ATOM 0 HG12 VAL A1180 -4.720 0.759 -3.436 1.00 1.70 H new ATOM 0 HG13 VAL A1180 -4.081 1.869 -4.672 1.00 1.70 H new ATOM 0 HG21 VAL A1180 -6.140 4.050 -4.144 1.00 1.12 H new ATOM 0 HG22 VAL A1180 -5.666 3.529 -5.778 1.00 1.12 H new ATOM 0 HG23 VAL A1180 -7.382 3.531 -5.308 1.00 1.12 H new ATOM 2027 N LEU A1181 -5.438 -1.255 -5.076 1.00 0.51 N ATOM 2028 CA LEU A1181 -5.229 -2.631 -4.620 1.00 0.56 C ATOM 2029 C LEU A1181 -4.031 -2.693 -3.654 1.00 0.51 C ATOM 2030 O LEU A1181 -2.952 -2.212 -4.006 1.00 0.56 O ATOM 2031 CB LEU A1181 -4.921 -3.543 -5.828 1.00 0.91 C ATOM 2032 CG LEU A1181 -5.944 -3.785 -6.949 1.00 1.51 C ATOM 2033 CD1 LEU A1181 -7.240 -4.330 -6.381 1.00 1.41 C ATOM 2034 CD2 LEU A1181 -6.221 -2.573 -7.838 1.00 3.63 C ATOM 0 H LEU A1181 -4.604 -0.866 -5.516 1.00 0.51 H new ATOM 0 HA LEU A1181 -6.134 -2.966 -4.114 1.00 0.56 H new ATOM 0 HB2 LEU A1181 -4.024 -3.144 -6.302 1.00 0.91 H new ATOM 0 HB3 LEU A1181 -4.660 -4.521 -5.424 1.00 0.91 H new ATOM 0 HG LEU A1181 -5.481 -4.524 -7.602 1.00 1.51 H new ATOM 0 HD11 LEU A1181 -7.951 -4.495 -7.190 1.00 1.41 H new ATOM 0 HD12 LEU A1181 -7.045 -5.274 -5.871 1.00 1.41 H new ATOM 0 HD13 LEU A1181 -7.656 -3.614 -5.672 1.00 1.41 H new ATOM 0 HD21 LEU A1181 -6.954 -2.840 -8.599 1.00 3.63 H new ATOM 0 HD22 LEU A1181 -6.610 -1.757 -7.229 1.00 3.63 H new ATOM 0 HD23 LEU A1181 -5.296 -2.257 -8.321 1.00 3.63 H new ATOM 2046 N ILE A1182 -4.173 -3.338 -2.487 1.00 0.51 N ATOM 2047 CA ILE A1182 -3.055 -3.591 -1.545 1.00 0.53 C ATOM 2048 C ILE A1182 -3.107 -5.023 -0.995 1.00 0.53 C ATOM 2049 O ILE A1182 -4.099 -5.393 -0.364 1.00 0.65 O ATOM 2050 CB ILE A1182 -3.050 -2.575 -0.367 1.00 0.61 C ATOM 2051 CG1 ILE A1182 -3.079 -1.113 -0.869 1.00 0.67 C ATOM 2052 CG2 ILE A1182 -1.819 -2.823 0.533 1.00 0.69 C ATOM 2053 CD1 ILE A1182 -3.033 -0.031 0.219 1.00 1.34 C ATOM 0 H ILE A1182 -5.068 -3.704 -2.162 1.00 0.51 H new ATOM 0 HA ILE A1182 -2.132 -3.462 -2.111 1.00 0.53 H new ATOM 0 HB ILE A1182 -3.957 -2.730 0.218 1.00 0.61 H new ATOM 0 HG12 ILE A1182 -2.233 -0.963 -1.540 1.00 0.67 H new ATOM 0 HG13 ILE A1182 -3.984 -0.969 -1.459 1.00 0.67 H new ATOM 0 HG21 ILE A1182 -1.820 -2.109 1.356 1.00 0.69 H new ATOM 0 HG22 ILE A1182 -1.858 -3.837 0.932 1.00 0.69 H new ATOM 0 HG23 ILE A1182 -0.909 -2.699 -0.053 1.00 0.69 H new ATOM 0 HD11 ILE A1182 -3.058 0.954 -0.246 1.00 1.34 H new ATOM 0 HD12 ILE A1182 -3.893 -0.143 0.880 1.00 1.34 H new ATOM 0 HD13 ILE A1182 -2.115 -0.135 0.797 1.00 1.34 H new ATOM 2065 N GLY A1183 -2.048 -5.825 -1.165 1.00 0.50 N ATOM 2066 CA GLY A1183 -2.045 -7.209 -0.665 1.00 0.55 C ATOM 2067 C GLY A1183 -0.772 -8.021 -0.916 1.00 0.57 C ATOM 2068 O GLY A1183 0.323 -7.477 -1.078 1.00 0.64 O ATOM 0 H GLY A1183 -1.190 -5.545 -1.640 1.00 0.50 H new ATOM 0 HA2 GLY A1183 -2.228 -7.184 0.409 1.00 0.55 H new ATOM 0 HA3 GLY A1183 -2.883 -7.738 -1.119 1.00 0.55 H new ATOM 2072 N ASN A1184 -0.930 -9.345 -0.935 1.00 0.63 N ATOM 2073 CA ASN A1184 0.134 -10.308 -1.222 1.00 0.73 C ATOM 2074 C ASN A1184 0.417 -10.434 -2.735 1.00 0.71 C ATOM 2075 O ASN A1184 -0.385 -10.031 -3.585 1.00 0.61 O ATOM 2076 CB ASN A1184 -0.206 -11.644 -0.535 1.00 0.85 C ATOM 2077 CG ASN A1184 0.350 -11.740 0.875 1.00 1.65 C ATOM 2078 OD1 ASN A1184 1.538 -11.563 1.118 1.00 2.88 O ATOM 2079 ND2 ASN A1184 -0.468 -12.043 1.851 1.00 2.59 N ATOM 0 H ASN A1184 -1.828 -9.790 -0.746 1.00 0.63 H new ATOM 0 HA ASN A1184 1.076 -9.950 -0.806 1.00 0.73 H new ATOM 0 HB2 ASN A1184 -1.289 -11.765 -0.503 1.00 0.85 H new ATOM 0 HB3 ASN A1184 0.189 -12.465 -1.133 1.00 0.85 H new ATOM 0 HD21 ASN A1184 -0.115 -12.130 2.804 1.00 2.59 H new ATOM 0 HD22 ASN A1184 -1.459 -12.192 1.659 1.00 2.59 H new ATOM 2086 N ARG A1185 1.588 -10.982 -3.086 1.00 0.86 N ATOM 2087 CA ARG A1185 2.113 -10.934 -4.462 1.00 0.85 C ATOM 2088 C ARG A1185 1.461 -11.911 -5.447 1.00 0.90 C ATOM 2089 O ARG A1185 1.443 -11.620 -6.645 1.00 0.92 O ATOM 2090 CB ARG A1185 3.659 -10.994 -4.431 1.00 0.99 C ATOM 2091 CG ARG A1185 4.309 -12.384 -4.286 1.00 1.26 C ATOM 2092 CD ARG A1185 4.464 -13.068 -5.648 1.00 2.78 C ATOM 2093 NE ARG A1185 5.194 -14.339 -5.590 1.00 3.24 N ATOM 2094 CZ ARG A1185 5.537 -15.048 -6.648 1.00 4.52 C ATOM 2095 NH1 ARG A1185 5.238 -14.702 -7.867 1.00 5.69 N ATOM 2096 NH2 ARG A1185 6.194 -16.159 -6.529 1.00 5.12 N ATOM 0 H ARG A1185 2.198 -11.470 -2.429 1.00 0.86 H new ATOM 0 HA ARG A1185 1.818 -9.973 -4.884 1.00 0.85 H new ATOM 0 HB2 ARG A1185 4.033 -10.541 -5.349 1.00 0.99 H new ATOM 0 HB3 ARG A1185 4.004 -10.372 -3.605 1.00 0.99 H new ATOM 0 HG2 ARG A1185 5.286 -12.284 -3.813 1.00 1.26 H new ATOM 0 HG3 ARG A1185 3.700 -13.007 -3.631 1.00 1.26 H new ATOM 0 HD2 ARG A1185 3.475 -13.246 -6.070 1.00 2.78 H new ATOM 0 HD3 ARG A1185 4.983 -12.392 -6.327 1.00 2.78 H new ATOM 0 HE ARG A1185 5.453 -14.698 -4.671 1.00 3.24 H new ATOM 0 HH11 ARG A1185 4.713 -13.845 -8.040 1.00 5.69 H new ATOM 0 HH12 ARG A1185 5.529 -15.288 -8.649 1.00 5.69 H new ATOM 0 HH21 ARG A1185 6.456 -16.500 -5.604 1.00 5.12 H new ATOM 0 HH22 ARG A1185 6.449 -16.692 -7.360 1.00 5.12 H new ATOM 2110 N GLU A1186 0.941 -13.051 -4.994 1.00 1.03 N ATOM 2111 CA GLU A1186 0.257 -14.015 -5.870 1.00 1.19 C ATOM 2112 C GLU A1186 -1.129 -13.544 -6.338 1.00 1.19 C ATOM 2113 O GLU A1186 -1.492 -13.819 -7.483 1.00 1.34 O ATOM 2114 CB GLU A1186 0.174 -15.416 -5.236 1.00 1.46 C ATOM 2115 CG GLU A1186 1.491 -16.203 -5.349 1.00 2.10 C ATOM 2116 CD GLU A1186 1.322 -17.674 -4.937 1.00 2.85 C ATOM 2117 OE1 GLU A1186 0.349 -18.334 -5.379 1.00 3.86 O ATOM 2118 OE2 GLU A1186 2.162 -18.212 -4.166 1.00 3.38 O ATOM 0 H GLU A1186 0.979 -13.336 -4.015 1.00 1.03 H new ATOM 0 HA GLU A1186 0.880 -14.081 -6.762 1.00 1.19 H new ATOM 0 HB2 GLU A1186 -0.096 -15.318 -4.184 1.00 1.46 H new ATOM 0 HB3 GLU A1186 -0.624 -15.981 -5.718 1.00 1.46 H new ATOM 0 HG2 GLU A1186 1.855 -16.154 -6.375 1.00 2.10 H new ATOM 0 HG3 GLU A1186 2.248 -15.735 -4.719 1.00 2.10 H new ATOM 2125 N TRP A1187 -1.906 -12.803 -5.538 1.00 1.16 N ATOM 2126 CA TRP A1187 -3.241 -12.301 -5.910 1.00 1.21 C ATOM 2127 C TRP A1187 -3.208 -11.186 -6.970 1.00 1.09 C ATOM 2128 O TRP A1187 -4.174 -10.990 -7.710 1.00 1.07 O ATOM 2129 CB TRP A1187 -3.895 -11.836 -4.602 1.00 1.30 C ATOM 2130 CG TRP A1187 -5.323 -11.398 -4.657 1.00 1.50 C ATOM 2131 CD1 TRP A1187 -6.393 -12.216 -4.780 1.00 2.60 C ATOM 2132 CD2 TRP A1187 -5.864 -10.049 -4.517 1.00 1.07 C ATOM 2133 NE1 TRP A1187 -7.555 -11.474 -4.702 1.00 2.72 N ATOM 2134 CE2 TRP A1187 -7.290 -10.133 -4.527 1.00 1.62 C ATOM 2135 CE3 TRP A1187 -5.292 -8.767 -4.372 1.00 1.54 C ATOM 2136 CZ2 TRP A1187 -8.104 -8.998 -4.394 1.00 1.38 C ATOM 2137 CZ3 TRP A1187 -6.100 -7.621 -4.236 1.00 1.85 C ATOM 2138 CH2 TRP A1187 -7.501 -7.738 -4.241 1.00 1.20 C ATOM 0 H TRP A1187 -1.623 -12.529 -4.597 1.00 1.16 H new ATOM 0 HA TRP A1187 -3.818 -13.092 -6.389 1.00 1.21 H new ATOM 0 HB2 TRP A1187 -3.822 -12.651 -3.882 1.00 1.30 H new ATOM 0 HB3 TRP A1187 -3.305 -11.008 -4.208 1.00 1.30 H new ATOM 0 HD1 TRP A1187 -6.346 -13.286 -4.918 1.00 2.60 H new ATOM 0 HE1 TRP A1187 -8.493 -11.869 -4.766 1.00 2.72 H new ATOM 0 HE3 TRP A1187 -4.217 -8.663 -4.365 1.00 1.54 H new ATOM 0 HZ2 TRP A1187 -9.180 -9.091 -4.409 1.00 1.38 H new ATOM 0 HZ3 TRP A1187 -5.642 -6.649 -4.128 1.00 1.85 H new ATOM 0 HH2 TRP A1187 -8.115 -6.857 -4.127 1.00 1.20 H new ATOM 2149 N MET A1188 -2.072 -10.509 -7.155 1.00 1.10 N ATOM 2150 CA MET A1188 -1.882 -9.589 -8.286 1.00 1.12 C ATOM 2151 C MET A1188 -1.893 -10.320 -9.644 1.00 1.23 C ATOM 2152 O MET A1188 -2.340 -9.750 -10.641 1.00 1.17 O ATOM 2153 CB MET A1188 -0.602 -8.769 -8.074 1.00 1.21 C ATOM 2154 CG MET A1188 -0.771 -7.742 -6.946 1.00 1.04 C ATOM 2155 SD MET A1188 -1.933 -6.388 -7.297 1.00 1.89 S ATOM 2156 CE MET A1188 -2.119 -5.600 -5.670 1.00 0.75 C ATOM 0 H MET A1188 -1.265 -10.579 -6.535 1.00 1.10 H new ATOM 0 HA MET A1188 -2.728 -8.903 -8.319 1.00 1.12 H new ATOM 0 HB2 MET A1188 0.225 -9.438 -7.837 1.00 1.21 H new ATOM 0 HB3 MET A1188 -0.341 -8.255 -8.999 1.00 1.21 H new ATOM 0 HG2 MET A1188 -1.106 -8.263 -6.049 1.00 1.04 H new ATOM 0 HG3 MET A1188 0.205 -7.312 -6.719 1.00 1.04 H new ATOM 0 HE1 MET A1188 -2.253 -4.526 -5.799 1.00 0.75 H new ATOM 0 HE2 MET A1188 -2.989 -6.016 -5.162 1.00 0.75 H new ATOM 0 HE3 MET A1188 -1.227 -5.785 -5.072 1.00 0.75 H new ATOM 2166 N ILE A1189 -1.532 -11.611 -9.685 1.00 1.48 N ATOM 2167 CA ILE A1189 -1.693 -12.466 -10.879 1.00 1.69 C ATOM 2168 C ILE A1189 -3.187 -12.688 -11.187 1.00 1.74 C ATOM 2169 O ILE A1189 -3.565 -12.779 -12.357 1.00 1.85 O ATOM 2170 CB ILE A1189 -0.967 -13.830 -10.705 1.00 2.03 C ATOM 2171 CG1 ILE A1189 0.500 -13.668 -10.230 1.00 1.87 C ATOM 2172 CG2 ILE A1189 -1.006 -14.636 -12.021 1.00 3.40 C ATOM 2173 CD1 ILE A1189 1.187 -14.991 -9.862 1.00 2.02 C ATOM 0 H ILE A1189 -1.118 -12.097 -8.890 1.00 1.48 H new ATOM 0 HA ILE A1189 -1.233 -11.949 -11.721 1.00 1.69 H new ATOM 0 HB ILE A1189 -1.504 -14.373 -9.927 1.00 2.03 H new ATOM 0 HG12 ILE A1189 1.074 -13.179 -11.017 1.00 1.87 H new ATOM 0 HG13 ILE A1189 0.520 -13.007 -9.364 1.00 1.87 H new ATOM 0 HG21 ILE A1189 -0.493 -15.587 -11.880 1.00 3.40 H new ATOM 0 HG22 ILE A1189 -2.042 -14.821 -12.304 1.00 3.40 H new ATOM 0 HG23 ILE A1189 -0.510 -14.070 -12.809 1.00 3.40 H new ATOM 0 HD11 ILE A1189 2.209 -14.793 -9.540 1.00 2.02 H new ATOM 0 HD12 ILE A1189 0.639 -15.473 -9.053 1.00 2.02 H new ATOM 0 HD13 ILE A1189 1.202 -15.648 -10.732 1.00 2.02 H new ATOM 2185 N ARG A1190 -4.055 -12.717 -10.161 1.00 1.70 N ATOM 2186 CA ARG A1190 -5.518 -12.796 -10.305 1.00 1.80 C ATOM 2187 C ARG A1190 -6.087 -11.471 -10.823 1.00 1.63 C ATOM 2188 O ARG A1190 -6.886 -11.486 -11.761 1.00 1.83 O ATOM 2189 CB ARG A1190 -6.118 -13.323 -8.980 1.00 1.82 C ATOM 2190 CG ARG A1190 -7.650 -13.344 -8.877 1.00 2.28 C ATOM 2191 CD ARG A1190 -8.262 -12.013 -8.409 1.00 2.82 C ATOM 2192 NE ARG A1190 -9.695 -12.167 -8.116 1.00 3.48 N ATOM 2193 CZ ARG A1190 -10.500 -11.291 -7.541 1.00 4.62 C ATOM 2194 NH1 ARG A1190 -10.115 -10.086 -7.226 1.00 5.57 N ATOM 2195 NH2 ARG A1190 -11.724 -11.628 -7.264 1.00 5.18 N ATOM 0 H ARG A1190 -3.752 -12.685 -9.188 1.00 1.70 H new ATOM 0 HA ARG A1190 -5.810 -13.514 -11.071 1.00 1.80 H new ATOM 0 HB2 ARG A1190 -5.752 -14.337 -8.821 1.00 1.82 H new ATOM 0 HB3 ARG A1190 -5.730 -12.713 -8.164 1.00 1.82 H new ATOM 0 HG2 ARG A1190 -8.066 -13.601 -9.851 1.00 2.28 H new ATOM 0 HG3 ARG A1190 -7.947 -14.132 -8.185 1.00 2.28 H new ATOM 0 HD2 ARG A1190 -7.741 -11.662 -7.519 1.00 2.82 H new ATOM 0 HD3 ARG A1190 -8.124 -11.254 -9.179 1.00 2.82 H new ATOM 0 HE ARG A1190 -10.117 -13.055 -8.389 1.00 3.48 H new ATOM 0 HH11 ARG A1190 -9.159 -9.788 -7.423 1.00 5.57 H new ATOM 0 HH12 ARG A1190 -10.769 -9.441 -6.783 1.00 5.57 H new ATOM 0 HH21 ARG A1190 -12.059 -12.565 -7.490 1.00 5.18 H new ATOM 0 HH22 ARG A1190 -12.350 -10.956 -6.820 1.00 5.18 H new ATOM 2209 N ASN A1191 -5.631 -10.330 -10.297 1.00 1.34 N ATOM 2210 CA ASN A1191 -5.998 -9.008 -10.830 1.00 1.27 C ATOM 2211 C ASN A1191 -5.627 -8.816 -12.317 1.00 1.38 C ATOM 2212 O ASN A1191 -6.400 -8.231 -13.072 1.00 1.56 O ATOM 2213 CB ASN A1191 -5.340 -7.907 -9.973 1.00 0.98 C ATOM 2214 CG ASN A1191 -6.292 -6.747 -9.741 1.00 1.35 C ATOM 2215 OD1 ASN A1191 -7.088 -6.777 -8.813 1.00 1.53 O ATOM 2216 ND2 ASN A1191 -6.308 -5.728 -10.562 1.00 2.03 N ATOM 0 H ASN A1191 -5.001 -10.293 -9.495 1.00 1.34 H new ATOM 0 HA ASN A1191 -7.084 -8.937 -10.777 1.00 1.27 H new ATOM 0 HB2 ASN A1191 -5.032 -8.325 -9.015 1.00 0.98 H new ATOM 0 HB3 ASN A1191 -4.438 -7.547 -10.469 1.00 0.98 H new ATOM 0 HD21 ASN A1191 -6.979 -4.972 -10.424 1.00 2.03 H new ATOM 0 HD22 ASN A1191 -5.650 -5.690 -11.340 1.00 2.03 H new ATOM 2223 N GLY A1192 -4.469 -9.336 -12.741 1.00 1.43 N ATOM 2224 CA GLY A1192 -3.907 -9.107 -14.077 1.00 1.59 C ATOM 2225 C GLY A1192 -2.730 -8.127 -14.085 1.00 1.53 C ATOM 2226 O GLY A1192 -2.678 -7.218 -14.917 1.00 2.14 O ATOM 0 H GLY A1192 -3.888 -9.937 -12.157 1.00 1.43 H new ATOM 0 HA2 GLY A1192 -3.579 -10.060 -14.493 1.00 1.59 H new ATOM 0 HA3 GLY A1192 -4.691 -8.726 -14.732 1.00 1.59 H new ATOM 2230 N LEU A1193 -1.824 -8.279 -13.118 1.00 0.97 N ATOM 2231 CA LEU A1193 -0.662 -7.421 -12.877 1.00 0.91 C ATOM 2232 C LEU A1193 0.624 -8.253 -12.720 1.00 1.02 C ATOM 2233 O LEU A1193 0.571 -9.453 -12.443 1.00 1.34 O ATOM 2234 CB LEU A1193 -0.951 -6.582 -11.616 1.00 0.88 C ATOM 2235 CG LEU A1193 -2.022 -5.496 -11.816 1.00 0.99 C ATOM 2236 CD1 LEU A1193 -2.481 -4.948 -10.468 1.00 1.23 C ATOM 2237 CD2 LEU A1193 -1.471 -4.324 -12.622 1.00 1.15 C ATOM 0 H LEU A1193 -1.884 -9.044 -12.446 1.00 0.97 H new ATOM 0 HA LEU A1193 -0.497 -6.763 -13.730 1.00 0.91 H new ATOM 0 HB2 LEU A1193 -1.270 -7.248 -10.815 1.00 0.88 H new ATOM 0 HB3 LEU A1193 -0.026 -6.109 -11.288 1.00 0.88 H new ATOM 0 HG LEU A1193 -2.853 -5.959 -12.349 1.00 0.99 H new ATOM 0 HD11 LEU A1193 -3.239 -4.181 -10.626 1.00 1.23 H new ATOM 0 HD12 LEU A1193 -2.903 -5.757 -9.871 1.00 1.23 H new ATOM 0 HD13 LEU A1193 -1.630 -4.515 -9.943 1.00 1.23 H new ATOM 0 HD21 LEU A1193 -2.249 -3.571 -12.748 1.00 1.15 H new ATOM 0 HD22 LEU A1193 -0.624 -3.885 -12.094 1.00 1.15 H new ATOM 0 HD23 LEU A1193 -1.145 -4.677 -13.601 1.00 1.15 H new ATOM 2249 N VAL A1194 1.785 -7.607 -12.873 1.00 1.17 N ATOM 2250 CA VAL A1194 3.116 -8.220 -12.700 1.00 1.32 C ATOM 2251 C VAL A1194 4.049 -7.342 -11.854 1.00 1.34 C ATOM 2252 O VAL A1194 4.084 -6.118 -12.017 1.00 1.45 O ATOM 2253 CB VAL A1194 3.728 -8.615 -14.065 1.00 1.50 C ATOM 2254 CG1 VAL A1194 4.183 -7.428 -14.922 1.00 1.71 C ATOM 2255 CG2 VAL A1194 4.910 -9.573 -13.909 1.00 2.07 C ATOM 0 H VAL A1194 1.832 -6.620 -13.126 1.00 1.17 H new ATOM 0 HA VAL A1194 2.988 -9.143 -12.135 1.00 1.32 H new ATOM 0 HB VAL A1194 2.905 -9.107 -14.584 1.00 1.50 H new ATOM 0 HG11 VAL A1194 4.599 -7.795 -15.860 1.00 1.71 H new ATOM 0 HG12 VAL A1194 3.330 -6.782 -15.131 1.00 1.71 H new ATOM 0 HG13 VAL A1194 4.944 -6.862 -14.385 1.00 1.71 H new ATOM 0 HG21 VAL A1194 5.308 -9.823 -14.892 1.00 2.07 H new ATOM 0 HG22 VAL A1194 5.688 -9.096 -13.313 1.00 2.07 H new ATOM 0 HG23 VAL A1194 4.577 -10.483 -13.410 1.00 2.07 H new ATOM 2265 N ILE A1195 4.800 -7.976 -10.946 1.00 1.44 N ATOM 2266 CA ILE A1195 5.792 -7.359 -10.044 1.00 1.48 C ATOM 2267 C ILE A1195 7.220 -7.416 -10.624 1.00 1.57 C ATOM 2268 O ILE A1195 7.515 -8.233 -11.499 1.00 1.71 O ATOM 2269 CB ILE A1195 5.690 -7.981 -8.627 1.00 1.55 C ATOM 2270 CG1 ILE A1195 6.503 -7.224 -7.548 1.00 1.57 C ATOM 2271 CG2 ILE A1195 6.122 -9.459 -8.616 1.00 1.62 C ATOM 2272 CD1 ILE A1195 6.025 -5.797 -7.272 1.00 2.75 C ATOM 0 H ILE A1195 4.732 -8.985 -10.810 1.00 1.44 H new ATOM 0 HA ILE A1195 5.559 -6.298 -9.953 1.00 1.48 H new ATOM 0 HB ILE A1195 4.633 -7.896 -8.373 1.00 1.55 H new ATOM 0 HG12 ILE A1195 6.464 -7.792 -6.618 1.00 1.57 H new ATOM 0 HG13 ILE A1195 7.548 -7.189 -7.857 1.00 1.57 H new ATOM 0 HG21 ILE A1195 6.035 -9.856 -7.605 1.00 1.62 H new ATOM 0 HG22 ILE A1195 5.480 -10.031 -9.286 1.00 1.62 H new ATOM 0 HG23 ILE A1195 7.157 -9.538 -8.949 1.00 1.62 H new ATOM 0 HD11 ILE A1195 6.652 -5.345 -6.504 1.00 2.75 H new ATOM 0 HD12 ILE A1195 6.091 -5.208 -8.187 1.00 2.75 H new ATOM 0 HD13 ILE A1195 4.991 -5.820 -6.929 1.00 2.75 H new ATOM 2284 N ASN A1196 8.119 -6.555 -10.137 1.00 1.54 N ATOM 2285 CA ASN A1196 9.553 -6.629 -10.432 1.00 1.57 C ATOM 2286 C ASN A1196 10.260 -7.730 -9.603 1.00 1.29 C ATOM 2287 O ASN A1196 9.959 -7.939 -8.427 1.00 1.12 O ATOM 2288 CB ASN A1196 10.156 -5.224 -10.244 1.00 1.77 C ATOM 2289 CG ASN A1196 10.075 -4.413 -11.522 1.00 1.96 C ATOM 2290 OD1 ASN A1196 11.074 -4.066 -12.139 1.00 3.09 O ATOM 2291 ND2 ASN A1196 8.882 -4.103 -11.966 1.00 1.60 N ATOM 0 H ASN A1196 7.870 -5.781 -9.522 1.00 1.54 H new ATOM 0 HA ASN A1196 9.710 -6.933 -11.467 1.00 1.57 H new ATOM 0 HB2 ASN A1196 9.627 -4.703 -9.446 1.00 1.77 H new ATOM 0 HB3 ASN A1196 11.197 -5.312 -9.932 1.00 1.77 H new ATOM 0 HD21 ASN A1196 8.782 -3.570 -12.830 1.00 1.60 H new ATOM 0 HD22 ASN A1196 8.053 -4.395 -11.448 1.00 1.60 H new ATOM 2298 N ASN A1197 11.210 -8.435 -10.220 1.00 1.33 N ATOM 2299 CA ASN A1197 11.935 -9.578 -9.646 1.00 1.25 C ATOM 2300 C ASN A1197 12.802 -9.197 -8.419 1.00 1.10 C ATOM 2301 O ASN A1197 12.763 -9.869 -7.386 1.00 1.16 O ATOM 2302 CB ASN A1197 12.767 -10.141 -10.815 1.00 1.53 C ATOM 2303 CG ASN A1197 13.546 -11.417 -10.549 1.00 1.66 C ATOM 2304 OD1 ASN A1197 13.239 -12.224 -9.676 1.00 2.04 O ATOM 2305 ND2 ASN A1197 14.556 -11.636 -11.357 1.00 2.27 N ATOM 0 H ASN A1197 11.510 -8.220 -11.171 1.00 1.33 H new ATOM 0 HA ASN A1197 11.249 -10.323 -9.242 1.00 1.25 H new ATOM 0 HB2 ASN A1197 12.095 -10.322 -11.654 1.00 1.53 H new ATOM 0 HB3 ASN A1197 13.472 -9.372 -11.131 1.00 1.53 H new ATOM 0 HD21 ASN A1197 15.105 -12.491 -11.267 1.00 2.27 H new ATOM 0 HD22 ASN A1197 14.793 -10.951 -12.075 1.00 2.27 H new ATOM 2312 N ASP A1198 13.522 -8.076 -8.512 1.00 1.09 N ATOM 2313 CA ASP A1198 14.439 -7.564 -7.481 1.00 1.15 C ATOM 2314 C ASP A1198 13.706 -7.270 -6.157 1.00 1.06 C ATOM 2315 O ASP A1198 14.112 -7.742 -5.090 1.00 1.10 O ATOM 2316 CB ASP A1198 15.127 -6.307 -8.039 1.00 1.36 C ATOM 2317 CG ASP A1198 16.133 -5.696 -7.069 1.00 1.75 C ATOM 2318 OD1 ASP A1198 17.272 -6.206 -6.960 1.00 2.73 O ATOM 2319 OD2 ASP A1198 15.816 -4.669 -6.426 1.00 2.40 O ATOM 0 H ASP A1198 13.484 -7.476 -9.336 1.00 1.09 H new ATOM 0 HA ASP A1198 15.186 -8.322 -7.246 1.00 1.15 H new ATOM 0 HB2 ASP A1198 15.636 -6.561 -8.969 1.00 1.36 H new ATOM 0 HB3 ASP A1198 14.369 -5.563 -8.283 1.00 1.36 H new ATOM 2324 N VAL A1199 12.586 -6.542 -6.234 1.00 1.07 N ATOM 2325 CA VAL A1199 11.748 -6.210 -5.068 1.00 1.13 C ATOM 2326 C VAL A1199 11.008 -7.413 -4.485 1.00 1.02 C ATOM 2327 O VAL A1199 10.786 -7.455 -3.277 1.00 1.00 O ATOM 2328 CB VAL A1199 10.750 -5.075 -5.362 1.00 1.31 C ATOM 2329 CG1 VAL A1199 11.497 -3.788 -5.699 1.00 3.16 C ATOM 2330 CG2 VAL A1199 9.759 -5.388 -6.476 1.00 1.75 C ATOM 0 H VAL A1199 12.230 -6.163 -7.111 1.00 1.07 H new ATOM 0 HA VAL A1199 12.456 -5.864 -4.314 1.00 1.13 H new ATOM 0 HB VAL A1199 10.166 -4.956 -4.449 1.00 1.31 H new ATOM 0 HG11 VAL A1199 10.779 -2.994 -5.905 1.00 3.16 H new ATOM 0 HG12 VAL A1199 12.125 -3.500 -4.856 1.00 3.16 H new ATOM 0 HG13 VAL A1199 12.121 -3.949 -6.578 1.00 3.16 H new ATOM 0 HG21 VAL A1199 9.092 -4.538 -6.620 1.00 1.75 H new ATOM 0 HG22 VAL A1199 10.301 -5.584 -7.401 1.00 1.75 H new ATOM 0 HG23 VAL A1199 9.173 -6.267 -6.206 1.00 1.75 H new ATOM 2340 N ASN A1200 10.654 -8.417 -5.293 1.00 1.02 N ATOM 2341 CA ASN A1200 10.001 -9.617 -4.769 1.00 1.08 C ATOM 2342 C ASN A1200 10.977 -10.481 -3.935 1.00 0.93 C ATOM 2343 O ASN A1200 10.592 -11.041 -2.907 1.00 0.89 O ATOM 2344 CB ASN A1200 9.353 -10.384 -5.930 1.00 1.30 C ATOM 2345 CG ASN A1200 8.766 -11.701 -5.455 1.00 1.39 C ATOM 2346 OD1 ASN A1200 7.781 -11.733 -4.732 1.00 1.74 O ATOM 2347 ND2 ASN A1200 9.382 -12.810 -5.777 1.00 1.45 N ATOM 0 H ASN A1200 10.807 -8.422 -6.301 1.00 1.02 H new ATOM 0 HA ASN A1200 9.211 -9.330 -4.075 1.00 1.08 H new ATOM 0 HB2 ASN A1200 8.570 -9.774 -6.380 1.00 1.30 H new ATOM 0 HB3 ASN A1200 10.096 -10.572 -6.705 1.00 1.30 H new ATOM 0 HD21 ASN A1200 9.040 -13.704 -5.424 1.00 1.45 H new ATOM 0 HD22 ASN A1200 10.204 -12.780 -6.381 1.00 1.45 H new ATOM 2354 N ASP A1201 12.252 -10.522 -4.321 1.00 0.94 N ATOM 2355 CA ASP A1201 13.344 -11.144 -3.557 1.00 0.96 C ATOM 2356 C ASP A1201 13.642 -10.387 -2.238 1.00 0.92 C ATOM 2357 O ASP A1201 13.912 -11.006 -1.205 1.00 0.97 O ATOM 2358 CB ASP A1201 14.551 -11.237 -4.507 1.00 1.09 C ATOM 2359 CG ASP A1201 15.876 -11.559 -3.824 1.00 1.25 C ATOM 2360 OD1 ASP A1201 15.964 -12.544 -3.056 1.00 1.95 O ATOM 2361 OD2 ASP A1201 16.848 -10.801 -4.051 1.00 2.30 O ATOM 0 H ASP A1201 12.568 -10.112 -5.200 1.00 0.94 H new ATOM 0 HA ASP A1201 13.069 -12.144 -3.221 1.00 0.96 H new ATOM 0 HB2 ASP A1201 14.348 -12.003 -5.256 1.00 1.09 H new ATOM 0 HB3 ASP A1201 14.652 -10.290 -5.038 1.00 1.09 H new ATOM 2366 N PHE A1202 13.496 -9.057 -2.230 1.00 0.91 N ATOM 2367 CA PHE A1202 13.550 -8.224 -1.017 1.00 0.93 C ATOM 2368 C PHE A1202 12.382 -8.505 -0.046 1.00 0.86 C ATOM 2369 O PHE A1202 12.601 -8.668 1.157 1.00 0.89 O ATOM 2370 CB PHE A1202 13.621 -6.743 -1.441 1.00 1.00 C ATOM 2371 CG PHE A1202 12.957 -5.761 -0.491 1.00 0.92 C ATOM 2372 CD1 PHE A1202 13.568 -5.460 0.742 1.00 1.73 C ATOM 2373 CD2 PHE A1202 11.702 -5.198 -0.810 1.00 1.79 C ATOM 2374 CE1 PHE A1202 12.926 -4.611 1.659 1.00 1.66 C ATOM 2375 CE2 PHE A1202 11.060 -4.357 0.117 1.00 2.03 C ATOM 2376 CZ PHE A1202 11.672 -4.060 1.348 1.00 1.23 C ATOM 0 H PHE A1202 13.334 -8.517 -3.080 1.00 0.91 H new ATOM 0 HA PHE A1202 14.447 -8.479 -0.452 1.00 0.93 H new ATOM 0 HB2 PHE A1202 14.669 -6.464 -1.551 1.00 1.00 H new ATOM 0 HB3 PHE A1202 13.159 -6.641 -2.423 1.00 1.00 H new ATOM 0 HD1 PHE A1202 14.532 -5.883 0.983 1.00 1.73 H new ATOM 0 HD2 PHE A1202 11.237 -5.412 -1.761 1.00 1.79 H new ATOM 0 HE1 PHE A1202 13.397 -4.382 2.604 1.00 1.66 H new ATOM 0 HE2 PHE A1202 10.093 -3.938 -0.118 1.00 2.03 H new ATOM 0 HZ PHE A1202 11.178 -3.409 2.054 1.00 1.23 H new ATOM 2386 N MET A1203 11.154 -8.615 -0.567 1.00 0.81 N ATOM 2387 CA MET A1203 9.951 -8.899 0.233 1.00 0.80 C ATOM 2388 C MET A1203 9.948 -10.320 0.804 1.00 0.78 C ATOM 2389 O MET A1203 9.593 -10.526 1.965 1.00 0.81 O ATOM 2390 CB MET A1203 8.685 -8.727 -0.617 1.00 0.85 C ATOM 2391 CG MET A1203 8.328 -7.258 -0.880 1.00 1.23 C ATOM 2392 SD MET A1203 6.610 -6.968 -1.399 1.00 1.50 S ATOM 2393 CE MET A1203 6.460 -8.124 -2.790 1.00 1.62 C ATOM 0 H MET A1203 10.963 -8.509 -1.563 1.00 0.81 H new ATOM 0 HA MET A1203 9.962 -8.188 1.059 1.00 0.80 H new ATOM 0 HB2 MET A1203 8.823 -9.237 -1.570 1.00 0.85 H new ATOM 0 HB3 MET A1203 7.849 -9.213 -0.114 1.00 0.85 H new ATOM 0 HG2 MET A1203 8.520 -6.685 0.027 1.00 1.23 H new ATOM 0 HG3 MET A1203 8.995 -6.869 -1.650 1.00 1.23 H new ATOM 0 HE1 MET A1203 5.469 -8.033 -3.234 1.00 1.62 H new ATOM 0 HE2 MET A1203 7.216 -7.891 -3.540 1.00 1.62 H new ATOM 0 HE3 MET A1203 6.605 -9.144 -2.433 1.00 1.62 H new ATOM 2403 N THR A1204 10.367 -11.298 0.000 1.00 0.82 N ATOM 2404 CA THR A1204 10.447 -12.712 0.394 1.00 0.89 C ATOM 2405 C THR A1204 11.402 -12.911 1.577 1.00 0.93 C ATOM 2406 O THR A1204 11.083 -13.614 2.540 1.00 1.02 O ATOM 2407 CB THR A1204 10.907 -13.545 -0.811 1.00 1.01 C ATOM 2408 OG1 THR A1204 9.953 -13.453 -1.852 1.00 1.61 O ATOM 2409 CG2 THR A1204 11.047 -15.015 -0.459 1.00 1.45 C ATOM 0 H THR A1204 10.666 -11.131 -0.961 1.00 0.82 H new ATOM 0 HA THR A1204 9.459 -13.042 0.714 1.00 0.89 H new ATOM 0 HB THR A1204 11.875 -13.149 -1.119 1.00 1.01 H new ATOM 0 HG1 THR A1204 10.140 -12.661 -2.398 1.00 1.61 H new ATOM 0 HG21 THR A1204 11.374 -15.570 -1.338 1.00 1.45 H new ATOM 0 HG22 THR A1204 11.782 -15.130 0.337 1.00 1.45 H new ATOM 0 HG23 THR A1204 10.085 -15.402 -0.123 1.00 1.45 H new ATOM 2417 N GLU A1205 12.552 -12.237 1.534 1.00 0.95 N ATOM 2418 CA GLU A1205 13.510 -12.221 2.638 1.00 1.09 C ATOM 2419 C GLU A1205 12.983 -11.444 3.861 1.00 1.06 C ATOM 2420 O GLU A1205 13.286 -11.822 4.993 1.00 1.14 O ATOM 2421 CB GLU A1205 14.844 -11.688 2.104 1.00 1.24 C ATOM 2422 CG GLU A1205 15.954 -11.710 3.158 1.00 1.46 C ATOM 2423 CD GLU A1205 17.324 -11.496 2.513 1.00 2.01 C ATOM 2424 OE1 GLU A1205 17.965 -12.496 2.110 1.00 3.04 O ATOM 2425 OE2 GLU A1205 17.775 -10.330 2.398 1.00 2.80 O ATOM 0 H GLU A1205 12.846 -11.685 0.728 1.00 0.95 H new ATOM 0 HA GLU A1205 13.663 -13.233 3.012 1.00 1.09 H new ATOM 0 HB2 GLU A1205 15.152 -12.285 1.246 1.00 1.24 H new ATOM 0 HB3 GLU A1205 14.706 -10.667 1.749 1.00 1.24 H new ATOM 0 HG2 GLU A1205 15.772 -10.933 3.900 1.00 1.46 H new ATOM 0 HG3 GLU A1205 15.941 -12.664 3.686 1.00 1.46 H new ATOM 2432 N HIS A1206 12.130 -10.432 3.669 1.00 1.00 N ATOM 2433 CA HIS A1206 11.528 -9.667 4.771 1.00 1.02 C ATOM 2434 C HIS A1206 10.505 -10.489 5.572 1.00 1.04 C ATOM 2435 O HIS A1206 10.508 -10.473 6.805 1.00 1.14 O ATOM 2436 CB HIS A1206 10.886 -8.377 4.231 1.00 1.04 C ATOM 2437 CG HIS A1206 10.721 -7.334 5.304 1.00 1.43 C ATOM 2438 ND1 HIS A1206 9.556 -6.789 5.802 1.00 2.34 N ATOM 2439 CD2 HIS A1206 11.757 -6.748 5.973 1.00 1.88 C ATOM 2440 CE1 HIS A1206 9.893 -5.900 6.752 1.00 2.67 C ATOM 2441 NE2 HIS A1206 11.226 -5.853 6.907 1.00 2.36 N ATOM 0 H HIS A1206 11.836 -10.118 2.744 1.00 1.00 H new ATOM 0 HA HIS A1206 12.331 -9.409 5.462 1.00 1.02 H new ATOM 0 HB2 HIS A1206 11.503 -7.975 3.427 1.00 1.04 H new ATOM 0 HB3 HIS A1206 9.912 -8.610 3.800 1.00 1.04 H new ATOM 0 HD1 HIS A1206 8.608 -7.019 5.503 1.00 2.34 H new ATOM 0 HD2 HIS A1206 12.807 -6.942 5.809 1.00 1.88 H new ATOM 0 HE1 HIS A1206 9.188 -5.305 7.314 1.00 2.67 H new ATOM 2449 N GLU A1207 9.680 -11.278 4.874 1.00 1.01 N ATOM 2450 CA GLU A1207 8.786 -12.276 5.477 1.00 1.11 C ATOM 2451 C GLU A1207 9.591 -13.314 6.289 1.00 1.24 C ATOM 2452 O GLU A1207 9.203 -13.674 7.405 1.00 1.42 O ATOM 2453 CB GLU A1207 7.929 -12.895 4.353 1.00 1.10 C ATOM 2454 CG GLU A1207 6.936 -13.995 4.763 1.00 2.29 C ATOM 2455 CD GLU A1207 5.759 -13.520 5.628 1.00 3.22 C ATOM 2456 OE1 GLU A1207 4.923 -12.699 5.173 1.00 3.41 O ATOM 2457 OE2 GLU A1207 5.613 -14.006 6.777 1.00 4.90 O ATOM 0 H GLU A1207 9.613 -11.241 3.857 1.00 1.01 H new ATOM 0 HA GLU A1207 8.111 -11.813 6.197 1.00 1.11 H new ATOM 0 HB2 GLU A1207 7.368 -12.093 3.873 1.00 1.10 H new ATOM 0 HB3 GLU A1207 8.602 -13.308 3.601 1.00 1.10 H new ATOM 0 HG2 GLU A1207 6.539 -14.460 3.860 1.00 2.29 H new ATOM 0 HG3 GLU A1207 7.478 -14.768 5.307 1.00 2.29 H new ATOM 2464 N ARG A1208 10.764 -13.726 5.782 1.00 1.21 N ATOM 2465 CA ARG A1208 11.698 -14.633 6.474 1.00 1.38 C ATOM 2466 C ARG A1208 12.414 -14.006 7.677 1.00 1.48 C ATOM 2467 O ARG A1208 12.644 -14.698 8.667 1.00 1.79 O ATOM 2468 CB ARG A1208 12.690 -15.214 5.456 1.00 1.37 C ATOM 2469 CG ARG A1208 13.557 -16.315 6.077 1.00 2.03 C ATOM 2470 CD ARG A1208 14.332 -17.065 4.998 1.00 2.19 C ATOM 2471 NE ARG A1208 15.199 -18.097 5.589 1.00 3.31 N ATOM 2472 CZ ARG A1208 15.806 -19.059 4.924 1.00 3.98 C ATOM 2473 NH1 ARG A1208 15.745 -19.162 3.630 1.00 3.92 N ATOM 2474 NH2 ARG A1208 16.506 -19.944 5.564 1.00 5.18 N ATOM 0 H ARG A1208 11.097 -13.434 4.863 1.00 1.21 H new ATOM 0 HA ARG A1208 11.102 -15.436 6.907 1.00 1.38 H new ATOM 0 HB2 ARG A1208 12.143 -15.618 4.604 1.00 1.37 H new ATOM 0 HB3 ARG A1208 13.330 -14.418 5.075 1.00 1.37 H new ATOM 0 HG2 ARG A1208 14.252 -15.877 6.793 1.00 2.03 H new ATOM 0 HG3 ARG A1208 12.927 -17.012 6.630 1.00 2.03 H new ATOM 0 HD2 ARG A1208 13.634 -17.528 4.300 1.00 2.19 H new ATOM 0 HD3 ARG A1208 14.937 -16.362 4.425 1.00 2.19 H new ATOM 0 HE ARG A1208 15.342 -18.065 6.598 1.00 3.31 H new ATOM 0 HH11 ARG A1208 15.212 -18.482 3.089 1.00 3.92 H new ATOM 0 HH12 ARG A1208 16.231 -19.923 3.156 1.00 3.92 H new ATOM 0 HH21 ARG A1208 16.586 -19.894 6.580 1.00 5.18 H new ATOM 0 HH22 ARG A1208 16.977 -20.690 5.052 1.00 5.18 H new ATOM 2488 N LYS A1209 12.709 -12.702 7.653 1.00 1.31 N ATOM 2489 CA LYS A1209 13.341 -11.954 8.767 1.00 1.45 C ATOM 2490 C LYS A1209 12.386 -11.635 9.932 1.00 1.67 C ATOM 2491 O LYS A1209 12.719 -10.833 10.803 1.00 2.20 O ATOM 2492 CB LYS A1209 14.117 -10.721 8.240 1.00 1.49 C ATOM 2493 CG LYS A1209 15.637 -10.962 8.198 1.00 1.97 C ATOM 2494 CD LYS A1209 16.056 -11.908 7.062 1.00 1.75 C ATOM 2495 CE LYS A1209 17.548 -12.272 7.108 1.00 2.35 C ATOM 2496 NZ LYS A1209 18.428 -11.097 6.909 1.00 2.27 N ATOM 0 H LYS A1209 12.514 -12.115 6.842 1.00 1.31 H new ATOM 0 HA LYS A1209 14.074 -12.624 9.217 1.00 1.45 H new ATOM 0 HB2 LYS A1209 13.763 -10.472 7.240 1.00 1.49 H new ATOM 0 HB3 LYS A1209 13.905 -9.862 8.876 1.00 1.49 H new ATOM 0 HG2 LYS A1209 16.149 -10.007 8.078 1.00 1.97 H new ATOM 0 HG3 LYS A1209 15.961 -11.380 9.151 1.00 1.97 H new ATOM 0 HD2 LYS A1209 15.462 -12.821 7.118 1.00 1.75 H new ATOM 0 HD3 LYS A1209 15.831 -11.440 6.104 1.00 1.75 H new ATOM 0 HE2 LYS A1209 17.776 -12.733 8.069 1.00 2.35 H new ATOM 0 HE3 LYS A1209 17.761 -13.015 6.339 1.00 2.35 H new ATOM 0 HZ1 LYS A1209 19.423 -11.398 6.949 1.00 2.27 H new ATOM 0 HZ2 LYS A1209 18.232 -10.670 5.981 1.00 2.27 H new ATOM 0 HZ3 LYS A1209 18.247 -10.397 7.657 1.00 2.27 H new ATOM 2510 N GLY A1210 11.230 -12.300 9.986 1.00 1.72 N ATOM 2511 CA GLY A1210 10.243 -12.167 11.062 1.00 1.98 C ATOM 2512 C GLY A1210 9.367 -10.918 10.980 1.00 1.72 C ATOM 2513 O GLY A1210 8.811 -10.500 11.996 1.00 1.90 O ATOM 0 H GLY A1210 10.946 -12.963 9.265 1.00 1.72 H new ATOM 0 HA2 GLY A1210 9.599 -13.046 11.055 1.00 1.98 H new ATOM 0 HA3 GLY A1210 10.767 -12.163 12.018 1.00 1.98 H new ATOM 2517 N ARG A1211 9.258 -10.294 9.800 1.00 1.38 N ATOM 2518 CA ARG A1211 8.465 -9.080 9.549 1.00 1.18 C ATOM 2519 C ARG A1211 7.462 -9.301 8.412 1.00 1.13 C ATOM 2520 O ARG A1211 7.349 -10.409 7.892 1.00 1.60 O ATOM 2521 CB ARG A1211 9.439 -7.920 9.283 1.00 1.16 C ATOM 2522 CG ARG A1211 10.187 -7.520 10.560 1.00 1.55 C ATOM 2523 CD ARG A1211 11.148 -6.358 10.310 1.00 1.90 C ATOM 2524 NE ARG A1211 11.601 -5.780 11.586 1.00 2.52 N ATOM 2525 CZ ARG A1211 12.468 -4.799 11.733 1.00 3.65 C ATOM 2526 NH1 ARG A1211 13.140 -4.297 10.740 1.00 4.62 N ATOM 2527 NH2 ARG A1211 12.688 -4.263 12.896 1.00 4.32 N ATOM 0 H ARG A1211 9.735 -10.631 8.964 1.00 1.38 H new ATOM 0 HA ARG A1211 7.860 -8.829 10.420 1.00 1.18 H new ATOM 0 HB2 ARG A1211 10.155 -8.212 8.515 1.00 1.16 H new ATOM 0 HB3 ARG A1211 8.890 -7.062 8.896 1.00 1.16 H new ATOM 0 HG2 ARG A1211 9.469 -7.239 11.330 1.00 1.55 H new ATOM 0 HG3 ARG A1211 10.743 -8.377 10.940 1.00 1.55 H new ATOM 0 HD2 ARG A1211 12.007 -6.706 9.736 1.00 1.90 H new ATOM 0 HD3 ARG A1211 10.654 -5.592 9.712 1.00 1.90 H new ATOM 0 HE ARG A1211 11.206 -6.177 12.438 1.00 2.52 H new ATOM 0 HH11 ARG A1211 13.007 -4.663 9.797 1.00 4.62 H new ATOM 0 HH12 ARG A1211 13.801 -3.537 10.904 1.00 4.62 H new ATOM 0 HH21 ARG A1211 12.185 -4.601 13.717 1.00 4.32 H new ATOM 0 HH22 ARG A1211 13.364 -3.504 12.988 1.00 4.32 H new ATOM 2541 N THR A1212 6.685 -8.282 8.045 1.00 0.92 N ATOM 2542 CA THR A1212 5.581 -8.382 7.073 1.00 0.89 C ATOM 2543 C THR A1212 5.842 -7.495 5.854 1.00 0.76 C ATOM 2544 O THR A1212 6.412 -6.409 5.980 1.00 0.84 O ATOM 2545 CB THR A1212 4.263 -8.033 7.786 1.00 1.00 C ATOM 2546 OG1 THR A1212 3.987 -9.043 8.740 1.00 1.26 O ATOM 2547 CG2 THR A1212 3.033 -7.943 6.889 1.00 0.98 C ATOM 0 H THR A1212 6.803 -7.341 8.420 1.00 0.92 H new ATOM 0 HA THR A1212 5.508 -9.401 6.693 1.00 0.89 H new ATOM 0 HB THR A1212 4.426 -7.043 8.211 1.00 1.00 H new ATOM 0 HG1 THR A1212 3.150 -8.834 9.205 1.00 1.26 H new ATOM 0 HG21 THR A1212 2.160 -7.692 7.492 1.00 0.98 H new ATOM 0 HG22 THR A1212 3.188 -7.170 6.136 1.00 0.98 H new ATOM 0 HG23 THR A1212 2.871 -8.902 6.397 1.00 0.98 H new ATOM 2555 N ALA A1213 5.463 -7.973 4.666 1.00 0.64 N ATOM 2556 CA ALA A1213 5.719 -7.319 3.379 1.00 0.56 C ATOM 2557 C ALA A1213 4.538 -7.486 2.400 1.00 0.61 C ATOM 2558 O ALA A1213 4.109 -8.614 2.135 1.00 0.76 O ATOM 2559 CB ALA A1213 7.008 -7.919 2.803 1.00 0.67 C ATOM 0 H ALA A1213 4.954 -8.852 4.570 1.00 0.64 H new ATOM 0 HA ALA A1213 5.832 -6.245 3.529 1.00 0.56 H new ATOM 0 HB1 ALA A1213 7.229 -7.453 1.842 1.00 0.67 H new ATOM 0 HB2 ALA A1213 7.833 -7.738 3.492 1.00 0.67 H new ATOM 0 HB3 ALA A1213 6.880 -8.993 2.665 1.00 0.67 H new ATOM 2565 N VAL A1214 4.040 -6.370 1.852 1.00 0.57 N ATOM 2566 CA VAL A1214 2.888 -6.301 0.924 1.00 0.66 C ATOM 2567 C VAL A1214 3.097 -5.251 -0.175 1.00 0.56 C ATOM 2568 O VAL A1214 3.843 -4.288 0.011 1.00 0.52 O ATOM 2569 CB VAL A1214 1.558 -6.028 1.664 1.00 0.85 C ATOM 2570 CG1 VAL A1214 1.127 -7.235 2.503 1.00 1.64 C ATOM 2571 CG2 VAL A1214 1.594 -4.781 2.559 1.00 0.97 C ATOM 0 H VAL A1214 4.439 -5.452 2.046 1.00 0.57 H new ATOM 0 HA VAL A1214 2.823 -7.283 0.455 1.00 0.66 H new ATOM 0 HB VAL A1214 0.829 -5.844 0.875 1.00 0.85 H new ATOM 0 HG11 VAL A1214 0.189 -7.009 3.010 1.00 1.64 H new ATOM 0 HG12 VAL A1214 0.990 -8.099 1.853 1.00 1.64 H new ATOM 0 HG13 VAL A1214 1.895 -7.456 3.244 1.00 1.64 H new ATOM 0 HG21 VAL A1214 0.627 -4.654 3.045 1.00 0.97 H new ATOM 0 HG22 VAL A1214 2.368 -4.899 3.317 1.00 0.97 H new ATOM 0 HG23 VAL A1214 1.813 -3.903 1.951 1.00 0.97 H new ATOM 2581 N LEU A1215 2.435 -5.426 -1.324 1.00 0.57 N ATOM 2582 CA LEU A1215 2.576 -4.574 -2.516 1.00 0.53 C ATOM 2583 C LEU A1215 1.293 -3.806 -2.896 1.00 0.46 C ATOM 2584 O LEU A1215 0.189 -4.163 -2.483 1.00 0.46 O ATOM 2585 CB LEU A1215 3.224 -5.373 -3.669 1.00 0.70 C ATOM 2586 CG LEU A1215 2.673 -6.773 -3.993 1.00 1.15 C ATOM 2587 CD1 LEU A1215 1.186 -6.762 -4.309 1.00 2.65 C ATOM 2588 CD2 LEU A1215 3.380 -7.294 -5.245 1.00 1.70 C ATOM 0 H LEU A1215 1.767 -6.185 -1.457 1.00 0.57 H new ATOM 0 HA LEU A1215 3.263 -3.765 -2.269 1.00 0.53 H new ATOM 0 HB2 LEU A1215 3.149 -4.770 -4.574 1.00 0.70 H new ATOM 0 HB3 LEU A1215 4.285 -5.478 -3.444 1.00 0.70 H new ATOM 0 HG LEU A1215 2.843 -7.394 -3.114 1.00 1.15 H new ATOM 0 HD11 LEU A1215 0.853 -7.776 -4.530 1.00 2.65 H new ATOM 0 HD12 LEU A1215 0.635 -6.378 -3.451 1.00 2.65 H new ATOM 0 HD13 LEU A1215 1.002 -6.124 -5.173 1.00 2.65 H new ATOM 0 HD21 LEU A1215 3.002 -8.286 -5.490 1.00 1.70 H new ATOM 0 HD22 LEU A1215 3.190 -6.617 -6.078 1.00 1.70 H new ATOM 0 HD23 LEU A1215 4.453 -7.350 -5.060 1.00 1.70 H new ATOM 2600 N VAL A1216 1.462 -2.724 -3.669 1.00 0.48 N ATOM 2601 CA VAL A1216 0.433 -1.712 -3.984 1.00 0.50 C ATOM 2602 C VAL A1216 0.311 -1.481 -5.495 1.00 0.45 C ATOM 2603 O VAL A1216 1.317 -1.278 -6.182 1.00 0.47 O ATOM 2604 CB VAL A1216 0.752 -0.366 -3.292 1.00 0.64 C ATOM 2605 CG1 VAL A1216 -0.382 0.656 -3.460 1.00 0.71 C ATOM 2606 CG2 VAL A1216 1.015 -0.513 -1.786 1.00 0.70 C ATOM 0 H VAL A1216 2.357 -2.518 -4.113 1.00 0.48 H new ATOM 0 HA VAL A1216 -0.515 -2.099 -3.610 1.00 0.50 H new ATOM 0 HB VAL A1216 1.657 -0.014 -3.788 1.00 0.64 H new ATOM 0 HG11 VAL A1216 -0.112 1.585 -2.957 1.00 0.71 H new ATOM 0 HG12 VAL A1216 -0.542 0.851 -4.520 1.00 0.71 H new ATOM 0 HG13 VAL A1216 -1.298 0.259 -3.022 1.00 0.71 H new ATOM 0 HG21 VAL A1216 1.233 0.465 -1.358 1.00 0.70 H new ATOM 0 HG22 VAL A1216 0.133 -0.933 -1.302 1.00 0.70 H new ATOM 0 HG23 VAL A1216 1.866 -1.176 -1.628 1.00 0.70 H new ATOM 2616 N ALA A1217 -0.927 -1.439 -6.000 1.00 0.45 N ATOM 2617 CA ALA A1217 -1.259 -1.082 -7.383 1.00 0.49 C ATOM 2618 C ALA A1217 -2.450 -0.103 -7.466 1.00 0.53 C ATOM 2619 O ALA A1217 -3.298 -0.057 -6.574 1.00 0.59 O ATOM 2620 CB ALA A1217 -1.504 -2.367 -8.183 1.00 0.53 C ATOM 0 H ALA A1217 -1.750 -1.659 -5.440 1.00 0.45 H new ATOM 0 HA ALA A1217 -0.417 -0.547 -7.822 1.00 0.49 H new ATOM 0 HB1 ALA A1217 -1.752 -2.112 -9.213 1.00 0.53 H new ATOM 0 HB2 ALA A1217 -0.604 -2.982 -8.168 1.00 0.53 H new ATOM 0 HB3 ALA A1217 -2.330 -2.921 -7.737 1.00 0.53 H new ATOM 2626 N VAL A1218 -2.511 0.689 -8.541 1.00 0.56 N ATOM 2627 CA VAL A1218 -3.483 1.775 -8.768 1.00 0.66 C ATOM 2628 C VAL A1218 -3.963 1.747 -10.218 1.00 0.77 C ATOM 2629 O VAL A1218 -3.147 1.861 -11.129 1.00 0.86 O ATOM 2630 CB VAL A1218 -2.842 3.149 -8.484 1.00 0.77 C ATOM 2631 CG1 VAL A1218 -3.808 4.310 -8.770 1.00 0.88 C ATOM 2632 CG2 VAL A1218 -2.405 3.292 -7.020 1.00 0.76 C ATOM 0 H VAL A1218 -1.855 0.590 -9.316 1.00 0.56 H new ATOM 0 HA VAL A1218 -4.324 1.624 -8.092 1.00 0.66 H new ATOM 0 HB VAL A1218 -1.979 3.197 -9.148 1.00 0.77 H new ATOM 0 HG11 VAL A1218 -3.312 5.257 -8.555 1.00 0.88 H new ATOM 0 HG12 VAL A1218 -4.106 4.286 -9.818 1.00 0.88 H new ATOM 0 HG13 VAL A1218 -4.692 4.212 -8.139 1.00 0.88 H new ATOM 0 HG21 VAL A1218 -1.959 4.275 -6.868 1.00 0.76 H new ATOM 0 HG22 VAL A1218 -3.272 3.182 -6.369 1.00 0.76 H new ATOM 0 HG23 VAL A1218 -1.672 2.521 -6.782 1.00 0.76 H new ATOM 2642 N ASP A1219 -5.276 1.637 -10.429 1.00 0.85 N ATOM 2643 CA ASP A1219 -5.952 1.708 -11.735 1.00 1.06 C ATOM 2644 C ASP A1219 -5.211 0.932 -12.848 1.00 1.13 C ATOM 2645 O ASP A1219 -4.795 1.469 -13.880 1.00 1.46 O ATOM 2646 CB ASP A1219 -6.359 3.159 -12.061 1.00 1.41 C ATOM 2647 CG ASP A1219 -7.879 3.309 -12.123 1.00 2.36 C ATOM 2648 OD1 ASP A1219 -8.518 2.642 -12.967 1.00 2.11 O ATOM 2649 OD2 ASP A1219 -8.440 4.134 -11.361 1.00 4.02 O ATOM 0 H ASP A1219 -5.931 1.489 -9.661 1.00 0.85 H new ATOM 0 HA ASP A1219 -6.894 1.162 -11.673 1.00 1.06 H new ATOM 0 HB2 ASP A1219 -5.956 3.831 -11.303 1.00 1.41 H new ATOM 0 HB3 ASP A1219 -5.923 3.456 -13.015 1.00 1.41 H new ATOM 2654 N ASP A1220 -5.005 -0.356 -12.569 1.00 0.98 N ATOM 2655 CA ASP A1220 -4.294 -1.348 -13.381 1.00 1.11 C ATOM 2656 C ASP A1220 -2.777 -1.116 -13.584 1.00 0.99 C ATOM 2657 O ASP A1220 -2.196 -1.674 -14.512 1.00 1.10 O ATOM 2658 CB ASP A1220 -5.048 -1.639 -14.692 1.00 1.56 C ATOM 2659 CG ASP A1220 -6.569 -1.732 -14.529 1.00 2.50 C ATOM 2660 OD1 ASP A1220 -7.062 -2.686 -13.877 1.00 2.63 O ATOM 2661 OD2 ASP A1220 -7.298 -0.873 -15.083 1.00 4.01 O ATOM 0 H ASP A1220 -5.357 -0.765 -11.704 1.00 0.98 H new ATOM 0 HA ASP A1220 -4.302 -2.253 -12.773 1.00 1.11 H new ATOM 0 HB2 ASP A1220 -4.817 -0.855 -15.413 1.00 1.56 H new ATOM 0 HB3 ASP A1220 -4.680 -2.576 -15.111 1.00 1.56 H new ATOM 2666 N GLU A1221 -2.094 -0.360 -12.720 1.00 0.82 N ATOM 2667 CA GLU A1221 -0.625 -0.211 -12.721 1.00 0.76 C ATOM 2668 C GLU A1221 0.012 -0.478 -11.345 1.00 0.64 C ATOM 2669 O GLU A1221 -0.439 0.050 -10.330 1.00 0.70 O ATOM 2670 CB GLU A1221 -0.248 1.210 -13.188 1.00 0.89 C ATOM 2671 CG GLU A1221 -0.246 1.393 -14.715 1.00 1.35 C ATOM 2672 CD GLU A1221 0.769 0.511 -15.465 1.00 1.97 C ATOM 2673 OE1 GLU A1221 1.888 0.256 -14.942 1.00 3.26 O ATOM 2674 OE2 GLU A1221 0.455 0.082 -16.606 1.00 2.80 O ATOM 0 H GLU A1221 -2.550 0.179 -11.983 1.00 0.82 H new ATOM 0 HA GLU A1221 -0.234 -0.962 -13.408 1.00 0.76 H new ATOM 0 HB2 GLU A1221 -0.947 1.922 -12.749 1.00 0.89 H new ATOM 0 HB3 GLU A1221 0.741 1.456 -12.803 1.00 0.89 H new ATOM 0 HG2 GLU A1221 -1.245 1.178 -15.095 1.00 1.35 H new ATOM 0 HG3 GLU A1221 -0.037 2.438 -14.942 1.00 1.35 H new ATOM 2681 N LEU A1222 1.110 -1.246 -11.294 1.00 0.58 N ATOM 2682 CA LEU A1222 1.949 -1.377 -10.091 1.00 0.59 C ATOM 2683 C LEU A1222 2.505 -0.008 -9.686 1.00 0.56 C ATOM 2684 O LEU A1222 2.910 0.759 -10.566 1.00 0.69 O ATOM 2685 CB LEU A1222 3.141 -2.331 -10.358 1.00 0.76 C ATOM 2686 CG LEU A1222 3.121 -3.670 -9.595 1.00 1.14 C ATOM 2687 CD1 LEU A1222 3.155 -3.506 -8.076 1.00 1.33 C ATOM 2688 CD2 LEU A1222 1.902 -4.515 -9.963 1.00 1.36 C ATOM 0 H LEU A1222 1.443 -1.795 -12.086 1.00 0.58 H new ATOM 0 HA LEU A1222 1.329 -1.782 -9.291 1.00 0.59 H new ATOM 0 HB2 LEU A1222 3.177 -2.545 -11.426 1.00 0.76 H new ATOM 0 HB3 LEU A1222 4.063 -1.807 -10.107 1.00 0.76 H new ATOM 0 HG LEU A1222 4.035 -4.177 -9.904 1.00 1.14 H new ATOM 0 HD11 LEU A1222 3.139 -4.488 -7.604 1.00 1.33 H new ATOM 0 HD12 LEU A1222 4.065 -2.980 -7.787 1.00 1.33 H new ATOM 0 HD13 LEU A1222 2.286 -2.933 -7.752 1.00 1.33 H new ATOM 0 HD21 LEU A1222 1.925 -5.450 -9.404 1.00 1.36 H new ATOM 0 HD22 LEU A1222 0.992 -3.968 -9.717 1.00 1.36 H new ATOM 0 HD23 LEU A1222 1.918 -4.731 -11.031 1.00 1.36 H new ATOM 2700 N CYS A1223 2.591 0.277 -8.380 1.00 0.53 N ATOM 2701 CA CYS A1223 3.093 1.573 -7.916 1.00 0.57 C ATOM 2702 C CYS A1223 4.024 1.579 -6.691 1.00 0.56 C ATOM 2703 O CYS A1223 4.829 2.507 -6.589 1.00 0.63 O ATOM 2704 CB CYS A1223 1.909 2.538 -7.779 1.00 0.69 C ATOM 2705 SG CYS A1223 1.049 2.295 -6.206 1.00 0.59 S ATOM 0 H CYS A1223 2.322 -0.366 -7.635 1.00 0.53 H new ATOM 0 HA CYS A1223 3.784 1.914 -8.687 1.00 0.57 H new ATOM 0 HB2 CYS A1223 2.264 3.566 -7.848 1.00 0.69 H new ATOM 0 HB3 CYS A1223 1.214 2.385 -8.604 1.00 0.69 H new ATOM 0 HG CYS A1223 0.354 3.356 -5.923 1.00 0.59 H new ATOM 2711 N GLY A1224 4.024 0.571 -5.813 1.00 0.53 N ATOM 2712 CA GLY A1224 4.915 0.554 -4.643 1.00 0.56 C ATOM 2713 C GLY A1224 4.839 -0.726 -3.807 1.00 0.49 C ATOM 2714 O GLY A1224 4.089 -1.647 -4.129 1.00 0.47 O ATOM 0 H GLY A1224 3.417 -0.245 -5.888 1.00 0.53 H new ATOM 0 HA2 GLY A1224 5.942 0.691 -4.982 1.00 0.56 H new ATOM 0 HA3 GLY A1224 4.673 1.404 -4.005 1.00 0.56 H new ATOM 2718 N LEU A1225 5.627 -0.776 -2.730 1.00 0.52 N ATOM 2719 CA LEU A1225 5.541 -1.807 -1.688 1.00 0.49 C ATOM 2720 C LEU A1225 5.819 -1.255 -0.275 1.00 0.56 C ATOM 2721 O LEU A1225 6.399 -0.175 -0.115 1.00 0.64 O ATOM 2722 CB LEU A1225 6.354 -3.074 -2.054 1.00 0.55 C ATOM 2723 CG LEU A1225 7.842 -2.969 -2.447 1.00 0.69 C ATOM 2724 CD1 LEU A1225 8.062 -2.576 -3.910 1.00 2.10 C ATOM 2725 CD2 LEU A1225 8.634 -2.003 -1.576 1.00 1.91 C ATOM 0 H LEU A1225 6.358 -0.087 -2.553 1.00 0.52 H new ATOM 0 HA LEU A1225 4.503 -2.136 -1.648 1.00 0.49 H new ATOM 0 HB2 LEU A1225 6.294 -3.751 -1.201 1.00 0.55 H new ATOM 0 HB3 LEU A1225 5.837 -3.559 -2.882 1.00 0.55 H new ATOM 0 HG LEU A1225 8.212 -3.982 -2.288 1.00 0.69 H new ATOM 0 HD11 LEU A1225 9.131 -2.521 -4.115 1.00 2.10 H new ATOM 0 HD12 LEU A1225 7.606 -3.323 -4.560 1.00 2.10 H new ATOM 0 HD13 LEU A1225 7.606 -1.604 -4.098 1.00 2.10 H new ATOM 0 HD21 LEU A1225 9.672 -1.980 -1.909 1.00 1.91 H new ATOM 0 HD22 LEU A1225 8.204 -1.004 -1.657 1.00 1.91 H new ATOM 0 HD23 LEU A1225 8.594 -2.332 -0.538 1.00 1.91 H new ATOM 2737 N ILE A1226 5.371 -1.998 0.742 1.00 0.54 N ATOM 2738 CA ILE A1226 5.338 -1.603 2.157 1.00 0.59 C ATOM 2739 C ILE A1226 5.927 -2.719 3.033 1.00 0.57 C ATOM 2740 O ILE A1226 5.490 -3.870 2.966 1.00 0.59 O ATOM 2741 CB ILE A1226 3.885 -1.285 2.604 1.00 0.66 C ATOM 2742 CG1 ILE A1226 3.174 -0.268 1.674 1.00 0.74 C ATOM 2743 CG2 ILE A1226 3.856 -0.783 4.063 1.00 0.75 C ATOM 2744 CD1 ILE A1226 1.684 -0.082 1.989 1.00 0.96 C ATOM 0 H ILE A1226 5.003 -2.938 0.595 1.00 0.54 H new ATOM 0 HA ILE A1226 5.941 -0.703 2.276 1.00 0.59 H new ATOM 0 HB ILE A1226 3.332 -2.222 2.534 1.00 0.66 H new ATOM 0 HG12 ILE A1226 3.676 0.696 1.753 1.00 0.74 H new ATOM 0 HG13 ILE A1226 3.279 -0.598 0.641 1.00 0.74 H new ATOM 0 HG21 ILE A1226 2.828 -0.567 4.353 1.00 0.75 H new ATOM 0 HG22 ILE A1226 4.265 -1.551 4.720 1.00 0.75 H new ATOM 0 HG23 ILE A1226 4.455 0.124 4.148 1.00 0.75 H new ATOM 0 HD11 ILE A1226 1.254 0.643 1.298 1.00 0.96 H new ATOM 0 HD12 ILE A1226 1.168 -1.036 1.882 1.00 0.96 H new ATOM 0 HD13 ILE A1226 1.571 0.279 3.011 1.00 0.96 H new ATOM 2756 N ALA A1227 6.881 -2.357 3.893 1.00 0.60 N ATOM 2757 CA ALA A1227 7.503 -3.213 4.899 1.00 0.63 C ATOM 2758 C ALA A1227 7.083 -2.775 6.322 1.00 0.67 C ATOM 2759 O ALA A1227 7.186 -1.594 6.679 1.00 0.79 O ATOM 2760 CB ALA A1227 9.018 -3.156 4.663 1.00 0.73 C ATOM 0 H ALA A1227 7.258 -1.409 3.905 1.00 0.60 H new ATOM 0 HA ALA A1227 7.172 -4.248 4.811 1.00 0.63 H new ATOM 0 HB1 ALA A1227 9.524 -3.784 5.396 1.00 0.73 H new ATOM 0 HB2 ALA A1227 9.244 -3.516 3.659 1.00 0.73 H new ATOM 0 HB3 ALA A1227 9.364 -2.127 4.766 1.00 0.73 H new ATOM 2766 N ILE A1228 6.569 -3.719 7.123 1.00 0.67 N ATOM 2767 CA ILE A1228 5.970 -3.466 8.448 1.00 0.73 C ATOM 2768 C ILE A1228 6.591 -4.376 9.518 1.00 0.82 C ATOM 2769 O ILE A1228 6.739 -5.586 9.315 1.00 0.86 O ATOM 2770 CB ILE A1228 4.425 -3.622 8.417 1.00 0.78 C ATOM 2771 CG1 ILE A1228 3.783 -2.929 7.190 1.00 1.01 C ATOM 2772 CG2 ILE A1228 3.828 -3.058 9.721 1.00 1.18 C ATOM 2773 CD1 ILE A1228 2.253 -3.030 7.108 1.00 1.10 C ATOM 0 H ILE A1228 6.556 -4.705 6.864 1.00 0.67 H new ATOM 0 HA ILE A1228 6.191 -2.432 8.712 1.00 0.73 H new ATOM 0 HB ILE A1228 4.201 -4.685 8.331 1.00 0.78 H new ATOM 0 HG12 ILE A1228 4.061 -1.875 7.201 1.00 1.01 H new ATOM 0 HG13 ILE A1228 4.209 -3.362 6.285 1.00 1.01 H new ATOM 0 HG21 ILE A1228 2.744 -3.166 9.701 1.00 1.18 H new ATOM 0 HG22 ILE A1228 4.232 -3.605 10.573 1.00 1.18 H new ATOM 0 HG23 ILE A1228 4.086 -2.003 9.812 1.00 1.18 H new ATOM 0 HD11 ILE A1228 1.902 -2.514 6.215 1.00 1.10 H new ATOM 0 HD12 ILE A1228 1.960 -4.079 7.060 1.00 1.10 H new ATOM 0 HD13 ILE A1228 1.810 -2.569 7.991 1.00 1.10 H new ATOM 2785 N ALA A1229 6.905 -3.804 10.683 1.00 0.95 N ATOM 2786 CA ALA A1229 7.649 -4.441 11.765 1.00 1.03 C ATOM 2787 C ALA A1229 6.875 -4.443 13.100 1.00 1.36 C ATOM 2788 O ALA A1229 6.631 -3.392 13.703 1.00 1.62 O ATOM 2789 CB ALA A1229 8.986 -3.701 11.881 1.00 1.19 C ATOM 0 H ALA A1229 6.635 -2.845 10.904 1.00 0.95 H new ATOM 0 HA ALA A1229 7.808 -5.495 11.536 1.00 1.03 H new ATOM 0 HB1 ALA A1229 9.579 -4.144 12.681 1.00 1.19 H new ATOM 0 HB2 ALA A1229 9.529 -3.781 10.939 1.00 1.19 H new ATOM 0 HB3 ALA A1229 8.802 -2.650 12.105 1.00 1.19 H new