USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 979 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: A1206 HIS : no HE2:sc= 0.748 K(o=2,f=-4) USER MOD Set 1.2: A1209 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0) USER MOD Set 2.1: A1108 CYS SG : rot -123:sc= 0.00535 USER MOD Set 2.2: A1177 GLN : amide:sc= 0.419 X(o=0.42,f=0.3) USER MOD Set 3.1: A1107 THR OG1 : rot 24:sc= 0.818 USER MOD Set 3.2: A1125 ASN : amide:sc= 0.899 X(o=1.7,f=1.8) USER MOD Set 4.1: A1102 THR OG1 : rot -141:sc= 0.761 USER MOD Set 4.2: A1104 THR OG1 : rot 180:sc= 0.617 USER MOD Single : A1053 THR OG1 : rot -27:sc= 0.01 USER MOD Single : A1057 ASN : amide:sc= 0.0188 X(o=0.019,f=-0.018) USER MOD Single : A1058 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1063 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A1065 SER OG : rot 180:sc= 0 USER MOD Single : A1066 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1069 SER OG : rot 180:sc= 0 USER MOD Single : A1070 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1071 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A1072 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1079 THR OG1 : rot -77:sc= 1.15 USER MOD Single : A1082 SER OG : rot -173:sc= 0.483 USER MOD Single : A1083 ASN : amide:sc= 0.935 K(o=0.94,f=-0.26) USER MOD Single : A1084 SER OG : rot 82:sc= 1.14 USER MOD Single : A1086 HIS : no HD1:sc= -0.75 X(o=-0.75,f=-1.2) USER MOD Single : A1090 THR OG1 : rot -71:sc= 1.26 USER MOD Single : A1093 THR OG1 : rot 67:sc= 0.573 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 119:sc= -0.305 USER MOD Single : A1097 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1098 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A1112 GLN :FLIP amide:sc= -0.151 F(o=-1.4!,f=-0.15) USER MOD Single : A1117 CYS SG : rot 180:sc= -0.064 USER MOD Single : A1120 SER OG : rot 180:sc= 0 USER MOD Single : A1121 CYS SG : rot -150:sc= -0.526 USER MOD Single : A1122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1124 THR OG1 : rot 180:sc= -0.157 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= 0.0763 X(o=0.076,f=-0.11) USER MOD Single : A1188 MET CE :methyl -163:sc= 0 (180deg=-0.572) USER MOD Single : A1191 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.13) USER MOD Single : A1196 ASN :FLIP amide:sc= -0.205 F(o=-2.2!,f=-0.21) USER MOD Single : A1197 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A1200 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A1203 MET CE :methyl 159:sc= -0.105 (180deg=-1.01) USER MOD Single : A1204 THR OG1 : rot 150:sc= 0.93 USER MOD Single : A1212 THR OG1 : rot 180:sc= 0 USER MOD Single : A1223 CYS SG : rot -15:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 89 N THR A1053 -7.610 -5.736 -16.219 1.00 2.17 N ATOM 90 CA THR A1053 -6.960 -6.325 -15.031 1.00 1.72 C ATOM 91 C THR A1053 -5.995 -5.346 -14.354 1.00 1.24 C ATOM 92 O THR A1053 -5.401 -4.516 -15.037 1.00 1.25 O ATOM 93 CB THR A1053 -6.260 -7.651 -15.360 1.00 1.86 C ATOM 94 OG1 THR A1053 -5.244 -7.521 -16.331 1.00 2.21 O ATOM 95 CG2 THR A1053 -7.256 -8.704 -15.837 1.00 3.37 C ATOM 0 HA THR A1053 -7.757 -6.540 -14.319 1.00 1.72 H new ATOM 0 HB THR A1053 -5.798 -7.967 -14.425 1.00 1.86 H new ATOM 0 HG1 THR A1053 -5.440 -6.754 -16.909 1.00 2.21 H new ATOM 0 HG21 THR A1053 -6.727 -9.630 -16.061 1.00 3.37 H new ATOM 0 HG22 THR A1053 -7.994 -8.887 -15.056 1.00 3.37 H new ATOM 0 HG23 THR A1053 -7.760 -8.348 -16.735 1.00 3.37 H new ATOM 103 N PRO A1054 -5.832 -5.395 -13.022 1.00 1.15 N ATOM 104 CA PRO A1054 -4.982 -4.455 -12.288 1.00 1.03 C ATOM 105 C PRO A1054 -3.493 -4.641 -12.622 1.00 1.01 C ATOM 106 O PRO A1054 -3.003 -5.770 -12.716 1.00 1.24 O ATOM 107 CB PRO A1054 -5.286 -4.704 -10.804 1.00 1.25 C ATOM 108 CG PRO A1054 -5.800 -6.146 -10.774 1.00 1.64 C ATOM 109 CD PRO A1054 -6.479 -6.332 -12.122 1.00 1.47 C ATOM 0 HA PRO A1054 -5.194 -3.422 -12.565 1.00 1.03 H new ATOM 0 HB2 PRO A1054 -4.395 -4.584 -10.187 1.00 1.25 H new ATOM 0 HB3 PRO A1054 -6.032 -4.005 -10.426 1.00 1.25 H new ATOM 0 HG2 PRO A1054 -4.984 -6.856 -10.638 1.00 1.64 H new ATOM 0 HG3 PRO A1054 -6.499 -6.302 -9.952 1.00 1.64 H new ATOM 0 HD2 PRO A1054 -6.368 -7.356 -12.478 1.00 1.47 H new ATOM 0 HD3 PRO A1054 -7.548 -6.133 -12.052 1.00 1.47 H new ATOM 117 N VAL A1055 -2.756 -3.534 -12.778 1.00 0.96 N ATOM 118 CA VAL A1055 -1.315 -3.540 -13.092 1.00 1.01 C ATOM 119 C VAL A1055 -0.571 -2.389 -12.397 1.00 0.87 C ATOM 120 O VAL A1055 -0.913 -1.216 -12.558 1.00 0.81 O ATOM 121 CB VAL A1055 -1.114 -3.553 -14.623 1.00 1.24 C ATOM 122 CG1 VAL A1055 -1.615 -2.322 -15.370 1.00 2.26 C ATOM 123 CG2 VAL A1055 0.349 -3.820 -14.974 1.00 1.74 C ATOM 0 H VAL A1055 -3.145 -2.595 -12.689 1.00 0.96 H new ATOM 0 HA VAL A1055 -0.871 -4.452 -12.693 1.00 1.01 H new ATOM 0 HB VAL A1055 -1.749 -4.369 -14.969 1.00 1.24 H new ATOM 0 HG11 VAL A1055 -1.422 -2.440 -16.436 1.00 2.26 H new ATOM 0 HG12 VAL A1055 -2.686 -2.208 -15.205 1.00 2.26 H new ATOM 0 HG13 VAL A1055 -1.095 -1.437 -15.003 1.00 2.26 H new ATOM 0 HG21 VAL A1055 0.468 -3.825 -16.057 1.00 1.74 H new ATOM 0 HG22 VAL A1055 0.975 -3.038 -14.544 1.00 1.74 H new ATOM 0 HG23 VAL A1055 0.649 -4.788 -14.572 1.00 1.74 H new ATOM 133 N VAL A1056 0.454 -2.693 -11.595 1.00 0.86 N ATOM 134 CA VAL A1056 1.175 -1.675 -10.800 1.00 0.77 C ATOM 135 C VAL A1056 2.056 -0.794 -11.697 1.00 0.76 C ATOM 136 O VAL A1056 2.672 -1.274 -12.653 1.00 1.02 O ATOM 137 CB VAL A1056 1.890 -2.296 -9.591 1.00 0.84 C ATOM 138 CG1 VAL A1056 2.934 -3.317 -10.013 1.00 1.05 C ATOM 139 CG2 VAL A1056 2.541 -1.250 -8.678 1.00 0.78 C ATOM 0 H VAL A1056 0.811 -3.641 -11.474 1.00 0.86 H new ATOM 0 HA VAL A1056 0.448 -0.992 -10.360 1.00 0.77 H new ATOM 0 HB VAL A1056 1.108 -2.798 -9.022 1.00 0.84 H new ATOM 0 HG11 VAL A1056 3.416 -3.732 -9.128 1.00 1.05 H new ATOM 0 HG12 VAL A1056 2.453 -4.119 -10.574 1.00 1.05 H new ATOM 0 HG13 VAL A1056 3.683 -2.834 -10.641 1.00 1.05 H new ATOM 0 HG21 VAL A1056 3.030 -1.750 -7.842 1.00 0.78 H new ATOM 0 HG22 VAL A1056 3.280 -0.683 -9.244 1.00 0.78 H new ATOM 0 HG23 VAL A1056 1.776 -0.572 -8.298 1.00 0.78 H new ATOM 149 N ASN A1057 2.093 0.514 -11.425 1.00 0.58 N ATOM 150 CA ASN A1057 2.632 1.509 -12.358 1.00 0.60 C ATOM 151 C ASN A1057 3.727 2.448 -11.802 1.00 0.56 C ATOM 152 O ASN A1057 4.706 2.675 -12.518 1.00 0.66 O ATOM 153 CB ASN A1057 1.402 2.237 -12.946 1.00 0.64 C ATOM 154 CG ASN A1057 1.116 1.748 -14.347 1.00 1.26 C ATOM 155 OD1 ASN A1057 1.424 2.384 -15.343 1.00 1.41 O ATOM 156 ND2 ASN A1057 0.552 0.577 -14.476 1.00 2.44 N ATOM 0 H ASN A1057 1.750 0.913 -10.551 1.00 0.58 H new ATOM 0 HA ASN A1057 3.206 1.004 -13.135 1.00 0.60 H new ATOM 0 HB2 ASN A1057 0.533 2.066 -12.311 1.00 0.64 H new ATOM 0 HB3 ASN A1057 1.581 3.312 -12.959 1.00 0.64 H new ATOM 0 HD21 ASN A1057 0.371 0.198 -15.405 1.00 2.44 H new ATOM 0 HD22 ASN A1057 0.293 0.042 -13.647 1.00 2.44 H new ATOM 163 N GLN A1058 3.615 2.954 -10.567 1.00 0.49 N ATOM 164 CA GLN A1058 4.678 3.685 -9.840 1.00 0.47 C ATOM 165 C GLN A1058 4.539 3.490 -8.317 1.00 0.46 C ATOM 166 O GLN A1058 3.438 3.227 -7.829 1.00 0.46 O ATOM 167 CB GLN A1058 4.683 5.198 -10.195 1.00 0.46 C ATOM 168 CG GLN A1058 5.562 5.508 -11.418 1.00 1.41 C ATOM 169 CD GLN A1058 6.026 6.961 -11.559 1.00 1.27 C ATOM 170 OE1 GLN A1058 5.413 7.929 -11.114 1.00 1.30 O ATOM 171 NE2 GLN A1058 7.123 7.173 -12.250 1.00 2.39 N ATOM 0 H GLN A1058 2.757 2.867 -10.023 1.00 0.49 H new ATOM 0 HA GLN A1058 5.632 3.266 -10.158 1.00 0.47 H new ATOM 0 HB2 GLN A1058 3.662 5.526 -10.392 1.00 0.46 H new ATOM 0 HB3 GLN A1058 5.042 5.769 -9.338 1.00 0.46 H new ATOM 0 HG2 GLN A1058 6.443 4.868 -11.379 1.00 1.41 H new ATOM 0 HG3 GLN A1058 5.009 5.235 -12.317 1.00 1.41 H new ATOM 0 HE21 GLN A1058 7.648 6.384 -12.629 1.00 2.39 H new ATOM 0 HE22 GLN A1058 7.450 8.126 -12.408 1.00 2.39 H new ATOM 180 N VAL A1059 5.631 3.620 -7.550 1.00 0.51 N ATOM 181 CA VAL A1059 5.641 3.443 -6.079 1.00 0.57 C ATOM 182 C VAL A1059 6.433 4.563 -5.392 1.00 0.63 C ATOM 183 O VAL A1059 7.514 4.933 -5.852 1.00 0.69 O ATOM 184 CB VAL A1059 6.156 2.044 -5.654 1.00 0.72 C ATOM 185 CG1 VAL A1059 5.483 0.899 -6.425 1.00 0.83 C ATOM 186 CG2 VAL A1059 7.669 1.845 -5.809 1.00 0.76 C ATOM 0 H VAL A1059 6.547 3.854 -7.933 1.00 0.51 H new ATOM 0 HA VAL A1059 4.605 3.508 -5.746 1.00 0.57 H new ATOM 0 HB VAL A1059 5.896 2.011 -4.596 1.00 0.72 H new ATOM 0 HG11 VAL A1059 5.885 -0.055 -6.084 1.00 0.83 H new ATOM 0 HG12 VAL A1059 4.408 0.924 -6.248 1.00 0.83 H new ATOM 0 HG13 VAL A1059 5.678 1.014 -7.491 1.00 0.83 H new ATOM 0 HG21 VAL A1059 7.938 0.839 -5.488 1.00 0.76 H new ATOM 0 HG22 VAL A1059 7.949 1.980 -6.854 1.00 0.76 H new ATOM 0 HG23 VAL A1059 8.197 2.575 -5.195 1.00 0.76 H new ATOM 196 N LYS A1060 5.921 5.131 -4.291 1.00 0.69 N ATOM 197 CA LYS A1060 6.511 6.325 -3.660 1.00 0.68 C ATOM 198 C LYS A1060 6.496 6.302 -2.128 1.00 0.69 C ATOM 199 O LYS A1060 5.510 5.921 -1.501 1.00 0.67 O ATOM 200 CB LYS A1060 5.828 7.566 -4.236 1.00 0.75 C ATOM 201 CG LYS A1060 6.802 8.739 -4.151 1.00 0.79 C ATOM 202 CD LYS A1060 6.211 9.992 -4.771 1.00 0.98 C ATOM 203 CE LYS A1060 7.181 11.120 -4.443 1.00 1.13 C ATOM 204 NZ LYS A1060 6.557 12.447 -4.649 1.00 1.66 N ATOM 0 H LYS A1060 5.091 4.780 -3.813 1.00 0.69 H new ATOM 0 HA LYS A1060 7.574 6.342 -3.902 1.00 0.68 H new ATOM 0 HB2 LYS A1060 5.535 7.391 -5.271 1.00 0.75 H new ATOM 0 HB3 LYS A1060 4.917 7.789 -3.681 1.00 0.75 H new ATOM 0 HG2 LYS A1060 7.054 8.931 -3.108 1.00 0.79 H new ATOM 0 HG3 LYS A1060 7.730 8.481 -4.661 1.00 0.79 H new ATOM 0 HD2 LYS A1060 6.096 9.877 -5.849 1.00 0.98 H new ATOM 0 HD3 LYS A1060 5.221 10.198 -4.365 1.00 0.98 H new ATOM 0 HE2 LYS A1060 7.511 11.028 -3.408 1.00 1.13 H new ATOM 0 HE3 LYS A1060 8.068 11.032 -5.070 1.00 1.13 H new ATOM 0 HZ1 LYS A1060 7.243 13.193 -4.417 1.00 1.66 H new ATOM 0 HZ2 LYS A1060 6.264 12.543 -5.642 1.00 1.66 H new ATOM 0 HZ3 LYS A1060 5.725 12.539 -4.032 1.00 1.66 H new ATOM 218 N VAL A1061 7.580 6.773 -1.520 1.00 0.73 N ATOM 219 CA VAL A1061 7.697 7.039 -0.075 1.00 0.65 C ATOM 220 C VAL A1061 7.170 8.441 0.250 1.00 0.62 C ATOM 221 O VAL A1061 7.372 9.364 -0.539 1.00 0.74 O ATOM 222 CB VAL A1061 9.165 6.891 0.378 1.00 0.65 C ATOM 223 CG1 VAL A1061 9.320 7.048 1.895 1.00 0.68 C ATOM 224 CG2 VAL A1061 9.742 5.518 0.008 1.00 0.73 C ATOM 0 H VAL A1061 8.436 6.990 -2.030 1.00 0.73 H new ATOM 0 HA VAL A1061 7.094 6.310 0.467 1.00 0.65 H new ATOM 0 HB VAL A1061 9.705 7.684 -0.140 1.00 0.65 H new ATOM 0 HG11 VAL A1061 10.370 6.936 2.167 1.00 0.68 H new ATOM 0 HG12 VAL A1061 8.970 8.036 2.196 1.00 0.68 H new ATOM 0 HG13 VAL A1061 8.730 6.284 2.402 1.00 0.68 H new ATOM 0 HG21 VAL A1061 10.777 5.455 0.345 1.00 0.73 H new ATOM 0 HG22 VAL A1061 9.156 4.735 0.489 1.00 0.73 H new ATOM 0 HG23 VAL A1061 9.704 5.387 -1.073 1.00 0.73 H new ATOM 234 N LEU A1062 6.516 8.607 1.404 1.00 0.57 N ATOM 235 CA LEU A1062 6.044 9.890 1.957 1.00 0.60 C ATOM 236 C LEU A1062 6.750 10.284 3.273 1.00 0.64 C ATOM 237 O LEU A1062 6.856 11.471 3.594 1.00 0.73 O ATOM 238 CB LEU A1062 4.509 9.816 2.129 1.00 0.57 C ATOM 239 CG LEU A1062 3.859 11.147 2.565 1.00 0.70 C ATOM 240 CD1 LEU A1062 4.188 12.318 1.638 1.00 0.86 C ATOM 241 CD2 LEU A1062 2.348 10.988 2.575 1.00 0.72 C ATOM 0 H LEU A1062 6.289 7.818 2.009 1.00 0.57 H new ATOM 0 HA LEU A1062 6.302 10.682 1.254 1.00 0.60 H new ATOM 0 HB2 LEU A1062 4.063 9.498 1.186 1.00 0.57 H new ATOM 0 HB3 LEU A1062 4.273 9.050 2.868 1.00 0.57 H new ATOM 0 HG LEU A1062 4.261 11.372 3.553 1.00 0.70 H new ATOM 0 HD11 LEU A1062 3.699 13.221 2.004 1.00 0.86 H new ATOM 0 HD12 LEU A1062 5.267 12.473 1.617 1.00 0.86 H new ATOM 0 HD13 LEU A1062 3.833 12.096 0.631 1.00 0.86 H new ATOM 0 HD21 LEU A1062 1.885 11.926 2.882 1.00 0.72 H new ATOM 0 HD22 LEU A1062 2.003 10.724 1.575 1.00 0.72 H new ATOM 0 HD23 LEU A1062 2.070 10.200 3.275 1.00 0.72 H new ATOM 253 N THR A1063 7.263 9.300 4.014 1.00 0.70 N ATOM 254 CA THR A1063 7.950 9.472 5.312 1.00 0.72 C ATOM 255 C THR A1063 9.336 8.819 5.297 1.00 0.92 C ATOM 256 O THR A1063 9.589 7.815 5.960 1.00 1.52 O ATOM 257 CB THR A1063 7.064 8.929 6.441 1.00 0.70 C ATOM 258 OG1 THR A1063 5.846 9.637 6.446 1.00 1.52 O ATOM 259 CG2 THR A1063 7.649 9.097 7.836 1.00 1.69 C ATOM 0 H THR A1063 7.214 8.324 3.723 1.00 0.70 H new ATOM 0 HA THR A1063 8.113 10.535 5.492 1.00 0.72 H new ATOM 0 HB THR A1063 6.957 7.863 6.238 1.00 0.70 H new ATOM 0 HG1 THR A1063 5.099 9.003 6.439 1.00 1.52 H new ATOM 0 HG21 THR A1063 6.958 8.686 8.572 1.00 1.69 H new ATOM 0 HG22 THR A1063 8.601 8.569 7.897 1.00 1.69 H new ATOM 0 HG23 THR A1063 7.808 10.156 8.039 1.00 1.69 H new ATOM 267 N GLU A1064 10.259 9.361 4.502 1.00 1.12 N ATOM 268 CA GLU A1064 11.578 8.746 4.334 1.00 1.40 C ATOM 269 C GLU A1064 12.495 8.990 5.538 1.00 1.49 C ATOM 270 O GLU A1064 12.657 10.127 5.986 1.00 1.63 O ATOM 271 CB GLU A1064 12.210 9.210 3.015 1.00 1.77 C ATOM 272 CG GLU A1064 13.507 8.451 2.706 1.00 2.14 C ATOM 273 CD GLU A1064 13.856 8.541 1.220 1.00 2.81 C ATOM 274 OE1 GLU A1064 13.094 7.984 0.395 1.00 3.85 O ATOM 275 OE2 GLU A1064 14.887 9.149 0.846 1.00 3.14 O ATOM 0 H GLU A1064 10.120 10.218 3.967 1.00 1.12 H new ATOM 0 HA GLU A1064 11.443 7.665 4.284 1.00 1.40 H new ATOM 0 HB2 GLU A1064 11.500 9.063 2.201 1.00 1.77 H new ATOM 0 HB3 GLU A1064 12.418 10.279 3.068 1.00 1.77 H new ATOM 0 HG2 GLU A1064 14.323 8.862 3.300 1.00 2.14 H new ATOM 0 HG3 GLU A1064 13.398 7.406 2.995 1.00 2.14 H new ATOM 282 N SER A1065 13.109 7.919 6.051 1.00 1.61 N ATOM 283 CA SER A1065 14.080 7.903 7.165 1.00 1.81 C ATOM 284 C SER A1065 13.557 8.348 8.541 1.00 1.77 C ATOM 285 O SER A1065 14.148 7.979 9.550 1.00 2.56 O ATOM 286 CB SER A1065 15.365 8.649 6.775 1.00 2.15 C ATOM 287 OG SER A1065 15.905 8.106 5.579 1.00 2.42 O ATOM 0 H SER A1065 12.936 6.983 5.683 1.00 1.61 H new ATOM 0 HA SER A1065 14.296 6.846 7.317 1.00 1.81 H new ATOM 0 HB2 SER A1065 15.151 9.709 6.637 1.00 2.15 H new ATOM 0 HB3 SER A1065 16.096 8.573 7.580 1.00 2.15 H new ATOM 0 HG SER A1065 16.722 8.591 5.340 1.00 2.42 H new ATOM 293 N ASN A1066 12.428 9.064 8.624 1.00 1.35 N ATOM 294 CA ASN A1066 11.823 9.480 9.899 1.00 1.48 C ATOM 295 C ASN A1066 10.868 8.429 10.503 1.00 1.29 C ATOM 296 O ASN A1066 10.554 8.502 11.692 1.00 1.52 O ATOM 297 CB ASN A1066 11.165 10.865 9.733 1.00 1.80 C ATOM 298 CG ASN A1066 12.150 11.907 9.235 1.00 2.23 C ATOM 299 OD1 ASN A1066 11.975 12.517 8.184 1.00 3.28 O ATOM 300 ND2 ASN A1066 13.221 12.139 9.954 1.00 2.76 N ATOM 0 H ASN A1066 11.905 9.373 7.805 1.00 1.35 H new ATOM 0 HA ASN A1066 12.623 9.563 10.634 1.00 1.48 H new ATOM 0 HB2 ASN A1066 10.333 10.789 9.033 1.00 1.80 H new ATOM 0 HB3 ASN A1066 10.750 11.186 10.688 1.00 1.80 H new ATOM 0 HD21 ASN A1066 13.907 12.825 9.640 1.00 2.76 H new ATOM 0 HD22 ASN A1066 13.368 11.633 10.827 1.00 2.76 H new ATOM 307 N ARG A1067 10.426 7.439 9.713 1.00 1.17 N ATOM 308 CA ARG A1067 9.699 6.251 10.195 1.00 1.09 C ATOM 309 C ARG A1067 10.150 4.998 9.430 1.00 1.03 C ATOM 310 O ARG A1067 11.190 4.436 9.774 1.00 1.63 O ATOM 311 CB ARG A1067 8.173 6.514 10.241 1.00 1.04 C ATOM 312 CG ARG A1067 7.414 5.593 11.214 1.00 1.23 C ATOM 313 CD ARG A1067 7.521 6.069 12.669 1.00 1.65 C ATOM 314 NE ARG A1067 6.616 7.202 12.960 1.00 2.89 N ATOM 315 CZ ARG A1067 5.818 7.350 14.003 1.00 3.58 C ATOM 316 NH1 ARG A1067 5.846 6.560 15.036 1.00 3.44 N ATOM 317 NH2 ARG A1067 4.947 8.318 14.045 1.00 5.14 N ATOM 0 H ARG A1067 10.565 7.440 8.703 1.00 1.17 H new ATOM 0 HA ARG A1067 9.958 6.042 11.233 1.00 1.09 H new ATOM 0 HB2 ARG A1067 8.001 7.551 10.528 1.00 1.04 H new ATOM 0 HB3 ARG A1067 7.761 6.388 9.240 1.00 1.04 H new ATOM 0 HG2 ARG A1067 6.364 5.549 10.925 1.00 1.23 H new ATOM 0 HG3 ARG A1067 7.809 4.580 11.135 1.00 1.23 H new ATOM 0 HD2 ARG A1067 7.288 5.240 13.338 1.00 1.65 H new ATOM 0 HD3 ARG A1067 8.549 6.366 12.876 1.00 1.65 H new ATOM 0 HE ARG A1067 6.607 7.958 12.275 1.00 2.89 H new ATOM 0 HH11 ARG A1067 6.506 5.783 15.066 1.00 3.44 H new ATOM 0 HH12 ARG A1067 5.208 6.718 15.816 1.00 3.44 H new ATOM 0 HH21 ARG A1067 4.875 8.973 13.267 1.00 5.14 H new ATOM 0 HH22 ARG A1067 4.337 8.421 14.856 1.00 5.14 H new ATOM 331 N ILE A1068 9.429 4.601 8.377 1.00 1.07 N ATOM 332 CA ILE A1068 9.699 3.407 7.557 1.00 0.92 C ATOM 333 C ILE A1068 10.210 3.798 6.158 1.00 1.18 C ATOM 334 O ILE A1068 9.612 4.648 5.502 1.00 1.75 O ATOM 335 CB ILE A1068 8.436 2.518 7.481 1.00 0.87 C ATOM 336 CG1 ILE A1068 7.851 2.272 8.894 1.00 1.22 C ATOM 337 CG2 ILE A1068 8.730 1.188 6.769 1.00 0.73 C ATOM 338 CD1 ILE A1068 6.790 1.172 8.970 1.00 1.58 C ATOM 0 H ILE A1068 8.610 5.119 8.057 1.00 1.07 H new ATOM 0 HA ILE A1068 10.490 2.827 8.032 1.00 0.92 H new ATOM 0 HB ILE A1068 7.690 3.050 6.891 1.00 0.87 H new ATOM 0 HG12 ILE A1068 8.667 2.016 9.570 1.00 1.22 H new ATOM 0 HG13 ILE A1068 7.415 3.203 9.258 1.00 1.22 H new ATOM 0 HG21 ILE A1068 7.822 0.586 6.732 1.00 0.73 H new ATOM 0 HG22 ILE A1068 9.075 1.387 5.754 1.00 0.73 H new ATOM 0 HG23 ILE A1068 9.502 0.646 7.315 1.00 0.73 H new ATOM 0 HD11 ILE A1068 6.441 1.074 9.998 1.00 1.58 H new ATOM 0 HD12 ILE A1068 5.951 1.431 8.325 1.00 1.58 H new ATOM 0 HD13 ILE A1068 7.222 0.227 8.642 1.00 1.58 H new ATOM 350 N SER A1069 11.283 3.156 5.688 1.00 0.98 N ATOM 351 CA SER A1069 11.943 3.417 4.394 1.00 1.16 C ATOM 352 C SER A1069 11.515 2.435 3.281 1.00 0.88 C ATOM 353 O SER A1069 10.919 1.390 3.554 1.00 0.70 O ATOM 354 CB SER A1069 13.464 3.438 4.593 1.00 1.45 C ATOM 355 OG SER A1069 13.845 4.505 5.453 1.00 2.04 O ATOM 0 H SER A1069 11.738 2.410 6.215 1.00 0.98 H new ATOM 0 HA SER A1069 11.616 4.396 4.044 1.00 1.16 H new ATOM 0 HB2 SER A1069 13.793 2.489 5.016 1.00 1.45 H new ATOM 0 HB3 SER A1069 13.960 3.547 3.629 1.00 1.45 H new ATOM 0 HG SER A1069 14.818 4.500 5.569 1.00 2.04 H new ATOM 361 N HIS A1070 11.798 2.777 2.016 1.00 0.93 N ATOM 362 CA HIS A1070 11.297 2.117 0.795 1.00 0.87 C ATOM 363 C HIS A1070 11.291 0.574 0.811 1.00 0.71 C ATOM 364 O HIS A1070 10.229 -0.029 0.627 1.00 0.73 O ATOM 365 CB HIS A1070 12.128 2.636 -0.389 1.00 1.05 C ATOM 366 CG HIS A1070 11.886 1.950 -1.710 1.00 2.22 C ATOM 367 ND1 HIS A1070 12.851 1.336 -2.470 1.00 2.54 N ATOM 368 CD2 HIS A1070 10.711 1.870 -2.409 1.00 4.17 C ATOM 369 CE1 HIS A1070 12.277 0.889 -3.598 1.00 4.05 C ATOM 370 NE2 HIS A1070 10.967 1.201 -3.613 1.00 5.21 N ATOM 0 H HIS A1070 12.414 3.561 1.802 1.00 0.93 H new ATOM 0 HA HIS A1070 10.241 2.376 0.714 1.00 0.87 H new ATOM 0 HB2 HIS A1070 11.927 3.700 -0.511 1.00 1.05 H new ATOM 0 HB3 HIS A1070 13.184 2.538 -0.138 1.00 1.05 H new ATOM 0 HD2 HIS A1070 9.754 2.255 -2.088 1.00 4.17 H new ATOM 0 HE1 HIS A1070 12.793 0.355 -4.382 1.00 4.05 H new ATOM 0 HE2 HIS A1070 10.296 0.992 -4.352 1.00 5.21 H new ATOM 378 N HIS A1071 12.434 -0.076 1.059 1.00 0.65 N ATOM 379 CA HIS A1071 12.536 -1.541 1.041 1.00 0.66 C ATOM 380 C HIS A1071 11.699 -2.207 2.143 1.00 0.62 C ATOM 381 O HIS A1071 11.182 -3.307 1.935 1.00 0.68 O ATOM 382 CB HIS A1071 14.002 -1.978 1.172 1.00 0.85 C ATOM 383 CG HIS A1071 14.883 -1.722 -0.026 1.00 1.49 C ATOM 384 ND1 HIS A1071 16.245 -1.545 0.024 1.00 2.93 N ATOM 385 CD2 HIS A1071 14.536 -1.770 -1.351 1.00 2.78 C ATOM 386 CE1 HIS A1071 16.707 -1.483 -1.237 1.00 3.90 C ATOM 387 NE2 HIS A1071 15.697 -1.617 -2.120 1.00 3.87 N ATOM 0 H HIS A1071 13.312 0.396 1.277 1.00 0.65 H new ATOM 0 HA HIS A1071 12.136 -1.870 0.082 1.00 0.66 H new ATOM 0 HB2 HIS A1071 14.436 -1.468 2.032 1.00 0.85 H new ATOM 0 HB3 HIS A1071 14.023 -3.046 1.391 1.00 0.85 H new ATOM 0 HD2 HIS A1071 13.536 -1.903 -1.737 1.00 2.78 H new ATOM 0 HE1 HIS A1071 17.744 -1.345 -1.506 1.00 3.90 H new ATOM 0 HE2 HIS A1071 15.764 -1.609 -3.138 1.00 3.87 H new ATOM 395 N LYS A1072 11.513 -1.551 3.294 1.00 0.61 N ATOM 396 CA LYS A1072 10.647 -2.056 4.368 1.00 0.62 C ATOM 397 C LYS A1072 9.164 -1.830 4.062 1.00 0.57 C ATOM 398 O LYS A1072 8.381 -2.748 4.285 1.00 0.57 O ATOM 399 CB LYS A1072 11.094 -1.497 5.729 1.00 0.66 C ATOM 400 CG LYS A1072 12.275 -2.318 6.277 1.00 1.18 C ATOM 401 CD LYS A1072 12.775 -1.784 7.626 1.00 1.56 C ATOM 402 CE LYS A1072 13.566 -2.823 8.432 1.00 2.17 C ATOM 403 NZ LYS A1072 14.826 -3.226 7.767 1.00 2.60 N ATOM 0 H LYS A1072 11.957 -0.658 3.508 1.00 0.61 H new ATOM 0 HA LYS A1072 10.759 -3.139 4.426 1.00 0.62 H new ATOM 0 HB2 LYS A1072 11.386 -0.452 5.623 1.00 0.66 H new ATOM 0 HB3 LYS A1072 10.263 -1.526 6.434 1.00 0.66 H new ATOM 0 HG2 LYS A1072 11.971 -3.358 6.390 1.00 1.18 H new ATOM 0 HG3 LYS A1072 13.092 -2.302 5.556 1.00 1.18 H new ATOM 0 HD2 LYS A1072 13.405 -0.911 7.453 1.00 1.56 H new ATOM 0 HD3 LYS A1072 11.922 -1.449 8.216 1.00 1.56 H new ATOM 0 HE2 LYS A1072 13.794 -2.415 9.417 1.00 2.17 H new ATOM 0 HE3 LYS A1072 12.945 -3.705 8.588 1.00 2.17 H new ATOM 0 HZ1 LYS A1072 15.319 -3.928 8.354 1.00 2.60 H new ATOM 0 HZ2 LYS A1072 14.611 -3.641 6.838 1.00 2.60 H new ATOM 0 HZ3 LYS A1072 15.434 -2.392 7.641 1.00 2.60 H new ATOM 417 N ILE A1073 8.780 -0.696 3.459 1.00 0.55 N ATOM 418 CA ILE A1073 7.394 -0.457 2.996 1.00 0.54 C ATOM 419 C ILE A1073 6.958 -1.538 1.994 1.00 0.53 C ATOM 420 O ILE A1073 5.924 -2.180 2.194 1.00 0.54 O ATOM 421 CB ILE A1073 7.206 0.964 2.397 1.00 0.56 C ATOM 422 CG1 ILE A1073 7.474 2.052 3.460 1.00 0.59 C ATOM 423 CG2 ILE A1073 5.778 1.137 1.831 1.00 0.58 C ATOM 424 CD1 ILE A1073 7.401 3.491 2.936 1.00 0.68 C ATOM 0 H ILE A1073 9.414 0.082 3.276 1.00 0.55 H new ATOM 0 HA ILE A1073 6.751 -0.518 3.874 1.00 0.54 H new ATOM 0 HB ILE A1073 7.926 1.077 1.587 1.00 0.56 H new ATOM 0 HG12 ILE A1073 6.752 1.937 4.268 1.00 0.59 H new ATOM 0 HG13 ILE A1073 8.462 1.886 3.889 1.00 0.59 H new ATOM 0 HG21 ILE A1073 5.670 2.139 1.417 1.00 0.58 H new ATOM 0 HG22 ILE A1073 5.606 0.400 1.047 1.00 0.58 H new ATOM 0 HG23 ILE A1073 5.050 0.994 2.630 1.00 0.58 H new ATOM 0 HD11 ILE A1073 7.602 4.186 3.751 1.00 0.68 H new ATOM 0 HD12 ILE A1073 8.143 3.630 2.149 1.00 0.68 H new ATOM 0 HD13 ILE A1073 6.406 3.682 2.534 1.00 0.68 H new ATOM 436 N LEU A1074 7.743 -1.781 0.937 1.00 0.53 N ATOM 437 CA LEU A1074 7.370 -2.768 -0.087 1.00 0.53 C ATOM 438 C LEU A1074 7.414 -4.211 0.445 1.00 0.51 C ATOM 439 O LEU A1074 6.633 -5.053 -0.005 1.00 0.51 O ATOM 440 CB LEU A1074 8.179 -2.522 -1.378 1.00 0.54 C ATOM 441 CG LEU A1074 9.604 -3.111 -1.418 1.00 0.53 C ATOM 442 CD1 LEU A1074 9.623 -4.519 -2.017 1.00 0.50 C ATOM 443 CD2 LEU A1074 10.508 -2.245 -2.297 1.00 0.56 C ATOM 0 H LEU A1074 8.633 -1.313 0.768 1.00 0.53 H new ATOM 0 HA LEU A1074 6.322 -2.629 -0.354 1.00 0.53 H new ATOM 0 HB2 LEU A1074 7.616 -2.932 -2.217 1.00 0.54 H new ATOM 0 HB3 LEU A1074 8.250 -1.446 -1.537 1.00 0.54 H new ATOM 0 HG LEU A1074 9.956 -3.142 -0.387 1.00 0.53 H new ATOM 0 HD11 LEU A1074 10.645 -4.897 -2.026 1.00 0.50 H new ATOM 0 HD12 LEU A1074 8.998 -5.179 -1.415 1.00 0.50 H new ATOM 0 HD13 LEU A1074 9.239 -4.486 -3.037 1.00 0.50 H new ATOM 0 HD21 LEU A1074 11.511 -2.671 -2.318 1.00 0.56 H new ATOM 0 HD22 LEU A1074 10.107 -2.212 -3.310 1.00 0.56 H new ATOM 0 HD23 LEU A1074 10.551 -1.235 -1.891 1.00 0.56 H new ATOM 455 N ALA A1075 8.263 -4.492 1.441 1.00 0.53 N ATOM 456 CA ALA A1075 8.295 -5.788 2.107 1.00 0.54 C ATOM 457 C ALA A1075 7.054 -6.034 2.981 1.00 0.55 C ATOM 458 O ALA A1075 6.438 -7.090 2.852 1.00 0.61 O ATOM 459 CB ALA A1075 9.589 -5.931 2.908 1.00 0.55 C ATOM 0 H ALA A1075 8.944 -3.824 1.803 1.00 0.53 H new ATOM 0 HA ALA A1075 8.274 -6.559 1.337 1.00 0.54 H new ATOM 0 HB1 ALA A1075 9.605 -6.902 3.403 1.00 0.55 H new ATOM 0 HB2 ALA A1075 10.444 -5.852 2.236 1.00 0.55 H new ATOM 0 HB3 ALA A1075 9.642 -5.141 3.657 1.00 0.55 H new ATOM 465 N ILE A1076 6.627 -5.095 3.837 1.00 0.52 N ATOM 466 CA ILE A1076 5.471 -5.333 4.729 1.00 0.53 C ATOM 467 C ILE A1076 4.137 -5.405 3.972 1.00 0.55 C ATOM 468 O ILE A1076 3.286 -6.216 4.335 1.00 0.58 O ATOM 469 CB ILE A1076 5.432 -4.374 5.940 1.00 0.52 C ATOM 470 CG1 ILE A1076 5.240 -2.896 5.535 1.00 0.55 C ATOM 471 CG2 ILE A1076 6.694 -4.610 6.788 1.00 0.51 C ATOM 472 CD1 ILE A1076 5.405 -1.875 6.670 1.00 0.53 C ATOM 0 H ILE A1076 7.054 -4.174 3.934 1.00 0.52 H new ATOM 0 HA ILE A1076 5.623 -6.326 5.151 1.00 0.53 H new ATOM 0 HB ILE A1076 4.552 -4.597 6.544 1.00 0.52 H new ATOM 0 HG12 ILE A1076 5.955 -2.657 4.748 1.00 0.55 H new ATOM 0 HG13 ILE A1076 4.244 -2.781 5.107 1.00 0.55 H new ATOM 0 HG21 ILE A1076 6.684 -3.941 7.649 1.00 0.51 H new ATOM 0 HG22 ILE A1076 6.713 -5.644 7.132 1.00 0.51 H new ATOM 0 HG23 ILE A1076 7.580 -4.412 6.185 1.00 0.51 H new ATOM 0 HD11 ILE A1076 5.250 -0.869 6.280 1.00 0.53 H new ATOM 0 HD12 ILE A1076 4.672 -2.078 7.451 1.00 0.53 H new ATOM 0 HD13 ILE A1076 6.410 -1.952 7.086 1.00 0.53 H new ATOM 484 N VAL A1077 3.978 -4.658 2.872 1.00 0.54 N ATOM 485 CA VAL A1077 2.816 -4.812 1.973 1.00 0.57 C ATOM 486 C VAL A1077 2.888 -6.128 1.186 1.00 0.59 C ATOM 487 O VAL A1077 1.900 -6.858 1.115 1.00 0.62 O ATOM 488 CB VAL A1077 2.668 -3.601 1.026 1.00 0.61 C ATOM 489 CG1 VAL A1077 1.457 -3.737 0.091 1.00 0.70 C ATOM 490 CG2 VAL A1077 2.473 -2.294 1.809 1.00 0.65 C ATOM 0 H VAL A1077 4.638 -3.938 2.579 1.00 0.54 H new ATOM 0 HA VAL A1077 1.924 -4.850 2.598 1.00 0.57 H new ATOM 0 HB VAL A1077 3.591 -3.576 0.447 1.00 0.61 H new ATOM 0 HG11 VAL A1077 1.396 -2.861 -0.555 1.00 0.70 H new ATOM 0 HG12 VAL A1077 1.569 -4.632 -0.521 1.00 0.70 H new ATOM 0 HG13 VAL A1077 0.546 -3.814 0.684 1.00 0.70 H new ATOM 0 HG21 VAL A1077 2.372 -1.463 1.111 1.00 0.65 H new ATOM 0 HG22 VAL A1077 1.573 -2.366 2.419 1.00 0.65 H new ATOM 0 HG23 VAL A1077 3.335 -2.124 2.454 1.00 0.65 H new ATOM 500 N GLY A1078 4.046 -6.479 0.615 1.00 0.58 N ATOM 501 CA GLY A1078 4.190 -7.697 -0.190 1.00 0.61 C ATOM 502 C GLY A1078 4.098 -8.994 0.620 1.00 0.64 C ATOM 503 O GLY A1078 3.499 -9.967 0.168 1.00 0.71 O ATOM 0 H GLY A1078 4.903 -5.932 0.697 1.00 0.58 H new ATOM 0 HA2 GLY A1078 3.417 -7.705 -0.959 1.00 0.61 H new ATOM 0 HA3 GLY A1078 5.151 -7.669 -0.704 1.00 0.61 H new ATOM 507 N THR A1079 4.621 -9.008 1.847 1.00 0.60 N ATOM 508 CA THR A1079 4.493 -10.152 2.768 1.00 0.64 C ATOM 509 C THR A1079 3.056 -10.328 3.258 1.00 0.63 C ATOM 510 O THR A1079 2.604 -11.466 3.389 1.00 0.72 O ATOM 511 CB THR A1079 5.444 -10.048 3.969 1.00 0.64 C ATOM 512 OG1 THR A1079 5.329 -8.829 4.633 1.00 0.59 O ATOM 513 CG2 THR A1079 6.911 -10.144 3.589 1.00 0.76 C ATOM 0 H THR A1079 5.148 -8.227 2.237 1.00 0.60 H new ATOM 0 HA THR A1079 4.776 -11.032 2.191 1.00 0.64 H new ATOM 0 HB THR A1079 5.146 -10.888 4.596 1.00 0.64 H new ATOM 0 HG1 THR A1079 5.789 -8.132 4.120 1.00 0.59 H new ATOM 0 HG21 THR A1079 7.525 -10.063 4.486 1.00 0.76 H new ATOM 0 HG22 THR A1079 7.100 -11.102 3.105 1.00 0.76 H new ATOM 0 HG23 THR A1079 7.163 -9.336 2.903 1.00 0.76 H new ATOM 521 N ALA A1080 2.305 -9.241 3.450 1.00 0.58 N ATOM 522 CA ALA A1080 0.867 -9.306 3.715 1.00 0.63 C ATOM 523 C ALA A1080 0.072 -9.880 2.526 1.00 0.69 C ATOM 524 O ALA A1080 -0.776 -10.762 2.695 1.00 0.76 O ATOM 525 CB ALA A1080 0.378 -7.902 4.099 1.00 0.71 C ATOM 0 H ALA A1080 2.677 -8.292 3.426 1.00 0.58 H new ATOM 0 HA ALA A1080 0.693 -9.995 4.541 1.00 0.63 H new ATOM 0 HB1 ALA A1080 -0.693 -7.932 4.300 1.00 0.71 H new ATOM 0 HB2 ALA A1080 0.905 -7.564 4.991 1.00 0.71 H new ATOM 0 HB3 ALA A1080 0.574 -7.211 3.279 1.00 0.71 H new ATOM 531 N GLU A1081 0.383 -9.440 1.303 1.00 0.76 N ATOM 532 CA GLU A1081 -0.251 -9.974 0.095 1.00 0.95 C ATOM 533 C GLU A1081 0.182 -11.409 -0.256 1.00 1.00 C ATOM 534 O GLU A1081 -0.590 -12.135 -0.877 1.00 1.12 O ATOM 535 CB GLU A1081 -0.117 -8.993 -1.083 1.00 1.07 C ATOM 536 CG GLU A1081 -1.463 -8.330 -1.424 1.00 1.43 C ATOM 537 CD GLU A1081 -2.560 -9.320 -1.866 1.00 2.29 C ATOM 538 OE1 GLU A1081 -2.269 -10.293 -2.595 1.00 3.75 O ATOM 539 OE2 GLU A1081 -3.742 -9.102 -1.531 1.00 2.26 O ATOM 0 H GLU A1081 1.074 -8.711 1.124 1.00 0.76 H new ATOM 0 HA GLU A1081 -1.314 -10.067 0.319 1.00 0.95 H new ATOM 0 HB2 GLU A1081 0.615 -8.225 -0.836 1.00 1.07 H new ATOM 0 HB3 GLU A1081 0.260 -9.523 -1.958 1.00 1.07 H new ATOM 0 HG2 GLU A1081 -1.816 -7.780 -0.552 1.00 1.43 H new ATOM 0 HG3 GLU A1081 -1.305 -7.601 -2.219 1.00 1.43 H new ATOM 546 N SER A1082 1.341 -11.884 0.217 1.00 0.94 N ATOM 547 CA SER A1082 1.770 -13.288 0.074 1.00 0.99 C ATOM 548 C SER A1082 0.738 -14.274 0.648 1.00 0.90 C ATOM 549 O SER A1082 0.408 -15.262 -0.013 1.00 0.80 O ATOM 550 CB SER A1082 3.142 -13.477 0.738 1.00 1.01 C ATOM 551 OG SER A1082 3.694 -14.753 0.463 1.00 1.66 O ATOM 0 H SER A1082 2.016 -11.303 0.714 1.00 0.94 H new ATOM 0 HA SER A1082 1.851 -13.510 -0.990 1.00 0.99 H new ATOM 0 HB2 SER A1082 3.825 -12.703 0.386 1.00 1.01 H new ATOM 0 HB3 SER A1082 3.044 -13.349 1.816 1.00 1.01 H new ATOM 0 HG SER A1082 4.509 -14.878 0.993 1.00 1.66 H new ATOM 557 N ASN A1083 0.151 -13.976 1.817 1.00 1.00 N ATOM 558 CA ASN A1083 -0.932 -14.778 2.412 1.00 0.98 C ATOM 559 C ASN A1083 -2.322 -14.483 1.808 1.00 1.13 C ATOM 560 O ASN A1083 -3.217 -15.327 1.892 1.00 1.44 O ATOM 561 CB ASN A1083 -1.016 -14.470 3.925 1.00 0.92 C ATOM 562 CG ASN A1083 0.068 -15.085 4.791 1.00 1.08 C ATOM 563 OD1 ASN A1083 1.256 -15.011 4.509 1.00 2.19 O ATOM 564 ND2 ASN A1083 -0.296 -15.693 5.894 1.00 1.04 N ATOM 0 H ASN A1083 0.415 -13.168 2.380 1.00 1.00 H new ATOM 0 HA ASN A1083 -0.687 -15.820 2.208 1.00 0.98 H new ATOM 0 HB2 ASN A1083 -0.989 -13.388 4.057 1.00 0.92 H new ATOM 0 HB3 ASN A1083 -1.984 -14.812 4.292 1.00 0.92 H new ATOM 0 HD21 ASN A1083 0.409 -16.099 6.509 1.00 1.04 H new ATOM 0 HD22 ASN A1083 -1.284 -15.760 6.137 1.00 1.04 H new ATOM 571 N SER A1084 -2.518 -13.303 1.217 1.00 1.06 N ATOM 572 CA SER A1084 -3.842 -12.789 0.836 1.00 1.11 C ATOM 573 C SER A1084 -4.285 -13.189 -0.576 1.00 1.15 C ATOM 574 O SER A1084 -3.466 -13.559 -1.423 1.00 1.53 O ATOM 575 CB SER A1084 -3.887 -11.268 1.007 1.00 1.08 C ATOM 576 OG SER A1084 -3.538 -10.893 2.331 1.00 2.56 O ATOM 0 H SER A1084 -1.755 -12.667 0.985 1.00 1.06 H new ATOM 0 HA SER A1084 -4.557 -13.259 1.512 1.00 1.11 H new ATOM 0 HB2 SER A1084 -3.202 -10.799 0.300 1.00 1.08 H new ATOM 0 HB3 SER A1084 -4.887 -10.902 0.773 1.00 1.08 H new ATOM 0 HG SER A1084 -2.562 -10.876 2.420 1.00 2.56 H new ATOM 582 N GLU A1085 -5.597 -13.104 -0.820 1.00 1.11 N ATOM 583 CA GLU A1085 -6.266 -13.503 -2.071 1.00 1.17 C ATOM 584 C GLU A1085 -7.069 -12.354 -2.727 1.00 1.02 C ATOM 585 O GLU A1085 -7.954 -12.575 -3.561 1.00 1.21 O ATOM 586 CB GLU A1085 -7.124 -14.760 -1.827 1.00 1.52 C ATOM 587 CG GLU A1085 -6.353 -15.968 -1.255 1.00 2.73 C ATOM 588 CD GLU A1085 -5.299 -16.571 -2.197 1.00 4.23 C ATOM 589 OE1 GLU A1085 -5.191 -16.147 -3.377 1.00 5.01 O ATOM 590 OE2 GLU A1085 -4.589 -17.516 -1.769 1.00 5.39 O ATOM 0 H GLU A1085 -6.251 -12.742 -0.126 1.00 1.11 H new ATOM 0 HA GLU A1085 -5.492 -13.749 -2.798 1.00 1.17 H new ATOM 0 HB2 GLU A1085 -7.931 -14.504 -1.141 1.00 1.52 H new ATOM 0 HB3 GLU A1085 -7.587 -15.055 -2.769 1.00 1.52 H new ATOM 0 HG2 GLU A1085 -5.861 -15.662 -0.332 1.00 2.73 H new ATOM 0 HG3 GLU A1085 -7.070 -16.746 -0.991 1.00 2.73 H new ATOM 597 N HIS A1086 -6.774 -11.105 -2.351 1.00 0.89 N ATOM 598 CA HIS A1086 -7.404 -9.895 -2.897 1.00 0.83 C ATOM 599 C HIS A1086 -6.983 -9.629 -4.364 1.00 0.78 C ATOM 600 O HIS A1086 -5.810 -9.822 -4.696 1.00 0.85 O ATOM 601 CB HIS A1086 -7.038 -8.692 -2.014 1.00 0.85 C ATOM 602 CG HIS A1086 -8.169 -8.045 -1.240 1.00 0.72 C ATOM 603 ND1 HIS A1086 -9.529 -8.147 -1.464 1.00 1.28 N ATOM 604 CD2 HIS A1086 -8.016 -7.216 -0.159 1.00 1.32 C ATOM 605 CE1 HIS A1086 -10.166 -7.401 -0.551 1.00 1.25 C ATOM 606 NE2 HIS A1086 -9.283 -6.778 0.244 1.00 1.51 N ATOM 0 H HIS A1086 -6.072 -10.901 -1.640 1.00 0.89 H new ATOM 0 HA HIS A1086 -8.484 -10.046 -2.896 1.00 0.83 H new ATOM 0 HB2 HIS A1086 -6.278 -9.012 -1.301 1.00 0.85 H new ATOM 0 HB3 HIS A1086 -6.581 -7.932 -2.648 1.00 0.85 H new ATOM 0 HD2 HIS A1086 -7.078 -6.947 0.303 1.00 1.32 H new ATOM 0 HE1 HIS A1086 -11.239 -7.314 -0.467 1.00 1.25 H new ATOM 0 HE2 HIS A1086 -9.493 -6.117 0.992 1.00 1.51 H new ATOM 614 N PRO A1087 -7.878 -9.128 -5.241 1.00 0.87 N ATOM 615 CA PRO A1087 -7.639 -9.062 -6.688 1.00 0.99 C ATOM 616 C PRO A1087 -6.583 -8.026 -7.110 1.00 0.94 C ATOM 617 O PRO A1087 -5.688 -8.351 -7.894 1.00 1.28 O ATOM 618 CB PRO A1087 -9.013 -8.774 -7.307 1.00 1.19 C ATOM 619 CG PRO A1087 -9.768 -8.044 -6.199 1.00 1.20 C ATOM 620 CD PRO A1087 -9.235 -8.702 -4.932 1.00 1.04 C ATOM 0 HA PRO A1087 -7.212 -10.000 -7.042 1.00 0.99 H new ATOM 0 HB2 PRO A1087 -8.927 -8.160 -8.203 1.00 1.19 H new ATOM 0 HB3 PRO A1087 -9.521 -9.693 -7.598 1.00 1.19 H new ATOM 0 HG2 PRO A1087 -9.568 -6.973 -6.212 1.00 1.20 H new ATOM 0 HG3 PRO A1087 -10.847 -8.168 -6.296 1.00 1.20 H new ATOM 0 HD2 PRO A1087 -9.243 -8.003 -4.096 1.00 1.04 H new ATOM 0 HD3 PRO A1087 -9.854 -9.551 -4.643 1.00 1.04 H new ATOM 628 N LEU A1088 -6.627 -6.799 -6.574 1.00 0.75 N ATOM 629 CA LEU A1088 -5.650 -5.742 -6.895 1.00 0.79 C ATOM 630 C LEU A1088 -4.270 -6.064 -6.296 1.00 0.92 C ATOM 631 O LEU A1088 -3.231 -5.820 -6.907 1.00 0.94 O ATOM 632 CB LEU A1088 -6.211 -4.388 -6.413 1.00 0.73 C ATOM 633 CG LEU A1088 -5.562 -3.159 -7.075 1.00 0.67 C ATOM 634 CD1 LEU A1088 -6.562 -2.034 -7.333 1.00 0.70 C ATOM 635 CD2 LEU A1088 -4.458 -2.533 -6.220 1.00 0.84 C ATOM 0 H LEU A1088 -7.340 -6.508 -5.905 1.00 0.75 H new ATOM 0 HA LEU A1088 -5.499 -5.685 -7.973 1.00 0.79 H new ATOM 0 HB2 LEU A1088 -7.284 -4.364 -6.604 1.00 0.73 H new ATOM 0 HB3 LEU A1088 -6.078 -4.317 -5.334 1.00 0.73 H new ATOM 0 HG LEU A1088 -5.158 -3.554 -8.007 1.00 0.67 H new ATOM 0 HD11 LEU A1088 -6.051 -1.193 -7.801 1.00 0.70 H new ATOM 0 HD12 LEU A1088 -7.350 -2.393 -7.995 1.00 0.70 H new ATOM 0 HD13 LEU A1088 -7.000 -1.712 -6.388 1.00 0.70 H new ATOM 0 HD21 LEU A1088 -4.039 -1.671 -6.740 1.00 0.84 H new ATOM 0 HD22 LEU A1088 -4.875 -2.213 -5.265 1.00 0.84 H new ATOM 0 HD23 LEU A1088 -3.672 -3.268 -6.045 1.00 0.84 H new ATOM 647 N GLY A1089 -4.285 -6.700 -5.124 1.00 1.15 N ATOM 648 CA GLY A1089 -3.105 -7.200 -4.424 1.00 1.53 C ATOM 649 C GLY A1089 -2.288 -8.260 -5.177 1.00 1.65 C ATOM 650 O GLY A1089 -1.090 -8.402 -4.916 1.00 1.81 O ATOM 0 H GLY A1089 -5.151 -6.887 -4.619 1.00 1.15 H new ATOM 0 HA2 GLY A1089 -2.453 -6.356 -4.199 1.00 1.53 H new ATOM 0 HA3 GLY A1089 -3.422 -7.621 -3.470 1.00 1.53 H new ATOM 654 N THR A1090 -2.871 -8.947 -6.166 1.00 1.66 N ATOM 655 CA THR A1090 -2.141 -9.927 -7.000 1.00 1.87 C ATOM 656 C THR A1090 -0.958 -9.288 -7.745 1.00 1.41 C ATOM 657 O THR A1090 0.133 -9.858 -7.774 1.00 1.24 O ATOM 658 CB THR A1090 -3.066 -10.667 -7.984 1.00 2.27 C ATOM 659 OG1 THR A1090 -3.644 -9.818 -8.954 1.00 2.44 O ATOM 660 CG2 THR A1090 -4.221 -11.374 -7.281 1.00 2.82 C ATOM 0 H THR A1090 -3.855 -8.845 -6.415 1.00 1.66 H new ATOM 0 HA THR A1090 -1.739 -10.666 -6.307 1.00 1.87 H new ATOM 0 HB THR A1090 -2.406 -11.388 -8.466 1.00 2.27 H new ATOM 0 HG1 THR A1090 -4.320 -9.249 -8.530 1.00 2.44 H new ATOM 0 HG21 THR A1090 -4.842 -11.880 -8.020 1.00 2.82 H new ATOM 0 HG22 THR A1090 -3.825 -12.106 -6.578 1.00 2.82 H new ATOM 0 HG23 THR A1090 -4.822 -10.642 -6.742 1.00 2.82 H new ATOM 668 N ALA A1091 -1.113 -8.049 -8.229 1.00 1.20 N ATOM 669 CA ALA A1091 -0.032 -7.291 -8.863 1.00 0.91 C ATOM 670 C ALA A1091 1.080 -6.904 -7.864 1.00 0.75 C ATOM 671 O ALA A1091 2.261 -6.947 -8.203 1.00 0.61 O ATOM 672 CB ALA A1091 -0.643 -6.056 -9.539 1.00 0.89 C ATOM 0 H ALA A1091 -1.998 -7.543 -8.190 1.00 1.20 H new ATOM 0 HA ALA A1091 0.454 -7.919 -9.610 1.00 0.91 H new ATOM 0 HB1 ALA A1091 0.146 -5.476 -10.018 1.00 0.89 H new ATOM 0 HB2 ALA A1091 -1.367 -6.373 -10.289 1.00 0.89 H new ATOM 0 HB3 ALA A1091 -1.142 -5.441 -8.790 1.00 0.89 H new ATOM 678 N ILE A1092 0.732 -6.580 -6.612 1.00 0.89 N ATOM 679 CA ILE A1092 1.718 -6.273 -5.557 1.00 0.95 C ATOM 680 C ILE A1092 2.472 -7.539 -5.122 1.00 0.98 C ATOM 681 O ILE A1092 3.678 -7.485 -4.871 1.00 0.93 O ATOM 682 CB ILE A1092 1.081 -5.591 -4.322 1.00 1.20 C ATOM 683 CG1 ILE A1092 -0.030 -4.569 -4.650 1.00 1.46 C ATOM 684 CG2 ILE A1092 2.202 -4.878 -3.550 1.00 1.19 C ATOM 685 CD1 ILE A1092 -0.799 -4.079 -3.418 1.00 1.50 C ATOM 0 H ILE A1092 -0.237 -6.522 -6.298 1.00 0.89 H new ATOM 0 HA ILE A1092 2.422 -5.566 -5.995 1.00 0.95 H new ATOM 0 HB ILE A1092 0.598 -6.376 -3.740 1.00 1.20 H new ATOM 0 HG12 ILE A1092 0.415 -3.711 -5.155 1.00 1.46 H new ATOM 0 HG13 ILE A1092 -0.733 -5.021 -5.350 1.00 1.46 H new ATOM 0 HG21 ILE A1092 1.783 -4.387 -2.672 1.00 1.19 H new ATOM 0 HG22 ILE A1092 2.949 -5.608 -3.236 1.00 1.19 H new ATOM 0 HG23 ILE A1092 2.670 -4.133 -4.194 1.00 1.19 H new ATOM 0 HD11 ILE A1092 -1.562 -3.364 -3.726 1.00 1.50 H new ATOM 0 HD12 ILE A1092 -1.274 -4.927 -2.924 1.00 1.50 H new ATOM 0 HD13 ILE A1092 -0.108 -3.597 -2.726 1.00 1.50 H new ATOM 697 N THR A1093 1.776 -8.683 -5.080 1.00 1.13 N ATOM 698 CA THR A1093 2.373 -10.008 -4.816 1.00 1.24 C ATOM 699 C THR A1093 3.507 -10.291 -5.807 1.00 0.99 C ATOM 700 O THR A1093 4.635 -10.540 -5.379 1.00 0.89 O ATOM 701 CB THR A1093 1.336 -11.149 -4.877 1.00 1.55 C ATOM 702 OG1 THR A1093 0.211 -10.887 -4.067 1.00 1.93 O ATOM 703 CG2 THR A1093 1.913 -12.457 -4.337 1.00 1.68 C ATOM 0 H THR A1093 0.768 -8.719 -5.230 1.00 1.13 H new ATOM 0 HA THR A1093 2.768 -9.976 -3.800 1.00 1.24 H new ATOM 0 HB THR A1093 1.062 -11.224 -5.929 1.00 1.55 H new ATOM 0 HG1 THR A1093 -0.287 -10.128 -4.435 1.00 1.93 H new ATOM 0 HG21 THR A1093 1.156 -13.240 -4.394 1.00 1.68 H new ATOM 0 HG22 THR A1093 2.779 -12.746 -4.932 1.00 1.68 H new ATOM 0 HG23 THR A1093 2.215 -12.320 -3.299 1.00 1.68 H new ATOM 711 N LYS A1094 3.246 -10.146 -7.119 1.00 0.91 N ATOM 712 CA LYS A1094 4.270 -10.172 -8.172 1.00 0.74 C ATOM 713 C LYS A1094 5.378 -9.156 -7.903 1.00 0.51 C ATOM 714 O LYS A1094 6.548 -9.532 -7.858 1.00 0.47 O ATOM 715 CB LYS A1094 3.596 -9.919 -9.537 1.00 0.86 C ATOM 716 CG LYS A1094 4.617 -9.616 -10.645 1.00 1.00 C ATOM 717 CD LYS A1094 3.943 -9.497 -12.014 1.00 1.70 C ATOM 718 CE LYS A1094 5.000 -9.209 -13.084 1.00 2.69 C ATOM 719 NZ LYS A1094 4.389 -8.920 -14.401 1.00 3.57 N ATOM 0 H LYS A1094 2.302 -10.005 -7.480 1.00 0.91 H new ATOM 0 HA LYS A1094 4.743 -11.154 -8.182 1.00 0.74 H new ATOM 0 HB2 LYS A1094 3.008 -10.793 -9.817 1.00 0.86 H new ATOM 0 HB3 LYS A1094 2.902 -9.083 -9.447 1.00 0.86 H new ATOM 0 HG2 LYS A1094 5.140 -8.688 -10.415 1.00 1.00 H new ATOM 0 HG3 LYS A1094 5.367 -10.406 -10.675 1.00 1.00 H new ATOM 0 HD2 LYS A1094 3.413 -10.420 -12.251 1.00 1.70 H new ATOM 0 HD3 LYS A1094 3.201 -8.699 -11.997 1.00 1.70 H new ATOM 0 HE2 LYS A1094 5.610 -8.361 -12.773 1.00 2.69 H new ATOM 0 HE3 LYS A1094 5.668 -10.066 -13.174 1.00 2.69 H new ATOM 0 HZ1 LYS A1094 5.138 -8.731 -15.097 1.00 3.57 H new ATOM 0 HZ2 LYS A1094 3.828 -9.739 -14.711 1.00 3.57 H new ATOM 0 HZ3 LYS A1094 3.771 -8.087 -14.322 1.00 3.57 H new ATOM 733 N TYR A1095 5.014 -7.885 -7.726 1.00 0.54 N ATOM 734 CA TYR A1095 5.967 -6.775 -7.677 1.00 0.62 C ATOM 735 C TYR A1095 7.018 -6.949 -6.578 1.00 0.61 C ATOM 736 O TYR A1095 8.210 -6.794 -6.843 1.00 0.66 O ATOM 737 CB TYR A1095 5.211 -5.457 -7.491 1.00 0.71 C ATOM 738 CG TYR A1095 6.057 -4.230 -7.770 1.00 0.76 C ATOM 739 CD1 TYR A1095 6.170 -3.762 -9.090 1.00 1.73 C ATOM 740 CD2 TYR A1095 6.744 -3.569 -6.731 1.00 1.44 C ATOM 741 CE1 TYR A1095 6.957 -2.636 -9.380 1.00 1.90 C ATOM 742 CE2 TYR A1095 7.540 -2.442 -7.020 1.00 1.44 C ATOM 743 CZ TYR A1095 7.643 -1.968 -8.347 1.00 1.09 C ATOM 744 OH TYR A1095 8.392 -0.869 -8.629 1.00 1.34 O ATOM 0 H TYR A1095 4.043 -7.595 -7.612 1.00 0.54 H new ATOM 0 HA TYR A1095 6.506 -6.762 -8.625 1.00 0.62 H new ATOM 0 HB2 TYR A1095 4.344 -5.448 -8.151 1.00 0.71 H new ATOM 0 HB3 TYR A1095 4.834 -5.404 -6.469 1.00 0.71 H new ATOM 0 HD1 TYR A1095 5.648 -4.272 -9.887 1.00 1.73 H new ATOM 0 HD2 TYR A1095 6.660 -3.926 -5.715 1.00 1.44 H new ATOM 0 HE1 TYR A1095 7.037 -2.281 -10.397 1.00 1.90 H new ATOM 0 HE2 TYR A1095 8.072 -1.940 -6.226 1.00 1.44 H new ATOM 0 HH TYR A1095 8.797 -0.529 -7.804 1.00 1.34 H new ATOM 754 N CYS A1096 6.587 -7.328 -5.368 1.00 0.58 N ATOM 755 CA CYS A1096 7.481 -7.581 -4.244 1.00 0.56 C ATOM 756 C CYS A1096 8.363 -8.811 -4.496 1.00 0.49 C ATOM 757 O CYS A1096 9.583 -8.688 -4.480 1.00 0.60 O ATOM 758 CB CYS A1096 6.650 -7.706 -2.961 1.00 0.58 C ATOM 759 SG CYS A1096 7.741 -7.783 -1.514 1.00 1.67 S ATOM 0 H CYS A1096 5.601 -7.467 -5.146 1.00 0.58 H new ATOM 0 HA CYS A1096 8.167 -6.742 -4.128 1.00 0.56 H new ATOM 0 HB2 CYS A1096 5.975 -6.855 -2.872 1.00 0.58 H new ATOM 0 HB3 CYS A1096 6.030 -8.601 -3.006 1.00 0.58 H new ATOM 0 HG CYS A1096 7.495 -6.775 -0.731 1.00 1.67 H new ATOM 765 N LYS A1097 7.780 -9.977 -4.816 1.00 0.42 N ATOM 766 CA LYS A1097 8.511 -11.232 -5.045 1.00 0.49 C ATOM 767 C LYS A1097 9.582 -11.048 -6.132 1.00 0.60 C ATOM 768 O LYS A1097 10.730 -11.443 -5.938 1.00 0.82 O ATOM 769 CB LYS A1097 7.434 -12.294 -5.373 1.00 0.49 C ATOM 770 CG LYS A1097 7.762 -13.785 -5.211 1.00 0.83 C ATOM 771 CD LYS A1097 8.921 -14.316 -6.062 1.00 1.25 C ATOM 772 CE LYS A1097 8.599 -14.411 -7.554 1.00 2.85 C ATOM 773 NZ LYS A1097 7.787 -15.612 -7.846 1.00 2.57 N ATOM 0 H LYS A1097 6.771 -10.075 -4.925 1.00 0.42 H new ATOM 0 HA LYS A1097 9.078 -11.560 -4.173 1.00 0.49 H new ATOM 0 HB2 LYS A1097 6.566 -12.082 -4.748 1.00 0.49 H new ATOM 0 HB3 LYS A1097 7.128 -12.138 -6.407 1.00 0.49 H new ATOM 0 HG2 LYS A1097 7.991 -13.974 -4.162 1.00 0.83 H new ATOM 0 HG3 LYS A1097 6.868 -14.361 -5.451 1.00 0.83 H new ATOM 0 HD2 LYS A1097 9.786 -13.666 -5.927 1.00 1.25 H new ATOM 0 HD3 LYS A1097 9.204 -15.303 -5.697 1.00 1.25 H new ATOM 0 HE2 LYS A1097 8.061 -13.518 -7.871 1.00 2.85 H new ATOM 0 HE3 LYS A1097 9.525 -14.445 -8.128 1.00 2.85 H new ATOM 0 HZ1 LYS A1097 7.582 -15.653 -8.865 1.00 2.57 H new ATOM 0 HZ2 LYS A1097 8.313 -16.464 -7.564 1.00 2.57 H new ATOM 0 HZ3 LYS A1097 6.894 -15.565 -7.315 1.00 2.57 H new ATOM 787 N GLN A1098 9.251 -10.357 -7.225 1.00 0.57 N ATOM 788 CA GLN A1098 10.206 -10.000 -8.276 1.00 0.73 C ATOM 789 C GLN A1098 11.296 -9.024 -7.792 1.00 0.82 C ATOM 790 O GLN A1098 12.474 -9.259 -8.071 1.00 0.89 O ATOM 791 CB GLN A1098 9.428 -9.479 -9.495 1.00 0.78 C ATOM 792 CG GLN A1098 10.331 -8.926 -10.611 1.00 1.02 C ATOM 793 CD GLN A1098 9.590 -8.659 -11.917 1.00 2.29 C ATOM 794 OE1 GLN A1098 8.460 -9.088 -12.132 1.00 3.05 O ATOM 795 NE2 GLN A1098 10.178 -7.943 -12.847 1.00 2.95 N ATOM 0 H GLN A1098 8.303 -10.026 -7.407 1.00 0.57 H new ATOM 0 HA GLN A1098 10.759 -10.893 -8.569 1.00 0.73 H new ATOM 0 HB2 GLN A1098 8.819 -10.287 -9.899 1.00 0.78 H new ATOM 0 HB3 GLN A1098 8.744 -8.695 -9.171 1.00 0.78 H new ATOM 0 HG2 GLN A1098 10.793 -8.000 -10.269 1.00 1.02 H new ATOM 0 HG3 GLN A1098 11.138 -9.634 -10.799 1.00 1.02 H new ATOM 0 HE21 GLN A1098 11.117 -7.576 -12.691 1.00 2.95 H new ATOM 0 HE22 GLN A1098 9.696 -7.754 -13.726 1.00 2.95 H new ATOM 804 N GLU A1099 10.953 -7.973 -7.042 1.00 0.86 N ATOM 805 CA GLU A1099 11.909 -6.969 -6.542 1.00 1.07 C ATOM 806 C GLU A1099 12.898 -7.533 -5.504 1.00 1.17 C ATOM 807 O GLU A1099 14.079 -7.173 -5.523 1.00 1.41 O ATOM 808 CB GLU A1099 11.120 -5.778 -5.964 1.00 1.11 C ATOM 809 CG GLU A1099 11.989 -4.610 -5.477 1.00 1.38 C ATOM 810 CD GLU A1099 12.777 -3.962 -6.622 1.00 1.60 C ATOM 811 OE1 GLU A1099 12.168 -3.346 -7.529 1.00 2.79 O ATOM 812 OE2 GLU A1099 14.028 -4.064 -6.631 1.00 1.59 O ATOM 0 H GLU A1099 9.991 -7.789 -6.759 1.00 0.86 H new ATOM 0 HA GLU A1099 12.523 -6.644 -7.382 1.00 1.07 H new ATOM 0 HB2 GLU A1099 10.434 -5.410 -6.727 1.00 1.11 H new ATOM 0 HB3 GLU A1099 10.511 -6.132 -5.132 1.00 1.11 H new ATOM 0 HG2 GLU A1099 11.356 -3.860 -5.003 1.00 1.38 H new ATOM 0 HG3 GLU A1099 12.683 -4.967 -4.716 1.00 1.38 H new ATOM 819 N LEU A1100 12.433 -8.416 -4.612 1.00 1.05 N ATOM 820 CA LEU A1100 13.274 -9.188 -3.683 1.00 1.11 C ATOM 821 C LEU A1100 14.043 -10.333 -4.372 1.00 1.22 C ATOM 822 O LEU A1100 15.014 -10.845 -3.812 1.00 1.35 O ATOM 823 CB LEU A1100 12.422 -9.763 -2.534 1.00 0.99 C ATOM 824 CG LEU A1100 11.508 -8.795 -1.765 1.00 0.90 C ATOM 825 CD1 LEU A1100 11.001 -9.427 -0.470 1.00 0.86 C ATOM 826 CD2 LEU A1100 12.141 -7.440 -1.461 1.00 1.08 C ATOM 0 H LEU A1100 11.439 -8.620 -4.512 1.00 1.05 H new ATOM 0 HA LEU A1100 14.013 -8.490 -3.290 1.00 1.11 H new ATOM 0 HB2 LEU A1100 11.799 -10.557 -2.945 1.00 0.99 H new ATOM 0 HB3 LEU A1100 13.098 -10.227 -1.816 1.00 0.99 H new ATOM 0 HG LEU A1100 10.673 -8.603 -2.439 1.00 0.90 H new ATOM 0 HD11 LEU A1100 10.357 -8.719 0.052 1.00 0.86 H new ATOM 0 HD12 LEU A1100 10.435 -10.329 -0.703 1.00 0.86 H new ATOM 0 HD13 LEU A1100 11.848 -9.684 0.165 1.00 0.86 H new ATOM 0 HD21 LEU A1100 11.429 -6.820 -0.917 1.00 1.08 H new ATOM 0 HD22 LEU A1100 13.035 -7.584 -0.854 1.00 1.08 H new ATOM 0 HD23 LEU A1100 12.412 -6.947 -2.395 1.00 1.08 H new ATOM 838 N ASP A1101 13.579 -10.751 -5.554 1.00 1.25 N ATOM 839 CA ASP A1101 14.005 -11.934 -6.318 1.00 1.42 C ATOM 840 C ASP A1101 13.708 -13.288 -5.615 1.00 1.48 C ATOM 841 O ASP A1101 14.240 -14.322 -6.028 1.00 1.87 O ATOM 842 CB ASP A1101 15.464 -11.726 -6.787 1.00 1.47 C ATOM 843 CG ASP A1101 15.873 -12.501 -8.043 1.00 1.96 C ATOM 844 OD1 ASP A1101 15.222 -12.347 -9.104 1.00 3.31 O ATOM 845 OD2 ASP A1101 16.914 -13.198 -8.009 1.00 2.37 O ATOM 0 H ASP A1101 12.843 -10.237 -6.039 1.00 1.25 H new ATOM 0 HA ASP A1101 13.387 -12.024 -7.211 1.00 1.42 H new ATOM 0 HB2 ASP A1101 15.619 -10.663 -6.971 1.00 1.47 H new ATOM 0 HB3 ASP A1101 16.132 -12.009 -5.974 1.00 1.47 H new ATOM 850 N THR A1102 12.841 -13.306 -4.586 1.00 1.38 N ATOM 851 CA THR A1102 12.614 -14.444 -3.662 1.00 1.42 C ATOM 852 C THR A1102 11.147 -14.831 -3.450 1.00 1.83 C ATOM 853 O THR A1102 10.280 -13.967 -3.379 1.00 3.12 O ATOM 854 CB THR A1102 13.220 -14.141 -2.275 1.00 1.30 C ATOM 855 OG1 THR A1102 13.436 -15.366 -1.602 1.00 1.56 O ATOM 856 CG2 THR A1102 12.343 -13.283 -1.355 1.00 1.45 C ATOM 0 H THR A1102 12.255 -12.501 -4.363 1.00 1.38 H new ATOM 0 HA THR A1102 13.102 -15.286 -4.152 1.00 1.42 H new ATOM 0 HB THR A1102 14.131 -13.577 -2.474 1.00 1.30 H new ATOM 0 HG1 THR A1102 13.211 -15.262 -0.654 1.00 1.56 H new ATOM 0 HG21 THR A1102 12.856 -13.126 -0.406 1.00 1.45 H new ATOM 0 HG22 THR A1102 12.153 -12.320 -1.828 1.00 1.45 H new ATOM 0 HG23 THR A1102 11.396 -13.793 -1.176 1.00 1.45 H new ATOM 864 N GLU A1103 10.871 -16.124 -3.239 1.00 1.27 N ATOM 865 CA GLU A1103 9.564 -16.638 -2.779 1.00 1.77 C ATOM 866 C GLU A1103 9.466 -16.663 -1.237 1.00 1.97 C ATOM 867 O GLU A1103 8.377 -16.810 -0.685 1.00 2.67 O ATOM 868 CB GLU A1103 9.386 -18.049 -3.372 1.00 1.99 C ATOM 869 CG GLU A1103 8.068 -18.801 -3.121 1.00 2.62 C ATOM 870 CD GLU A1103 8.175 -20.242 -3.644 1.00 2.97 C ATOM 871 OE1 GLU A1103 9.132 -20.963 -3.268 1.00 3.51 O ATOM 872 OE2 GLU A1103 7.354 -20.703 -4.471 1.00 3.50 O ATOM 0 H GLU A1103 11.561 -16.861 -3.385 1.00 1.27 H new ATOM 0 HA GLU A1103 8.767 -15.978 -3.120 1.00 1.77 H new ATOM 0 HB2 GLU A1103 9.521 -17.972 -4.451 1.00 1.99 H new ATOM 0 HB3 GLU A1103 10.197 -18.670 -2.993 1.00 1.99 H new ATOM 0 HG2 GLU A1103 7.842 -18.809 -2.055 1.00 2.62 H new ATOM 0 HG3 GLU A1103 7.246 -18.286 -3.618 1.00 2.62 H new ATOM 879 N THR A1104 10.582 -16.491 -0.515 1.00 1.81 N ATOM 880 CA THR A1104 10.715 -16.724 0.944 1.00 2.46 C ATOM 881 C THR A1104 10.053 -15.680 1.869 1.00 2.01 C ATOM 882 O THR A1104 10.473 -15.511 3.017 1.00 2.45 O ATOM 883 CB THR A1104 12.187 -16.980 1.340 1.00 3.39 C ATOM 884 OG1 THR A1104 12.990 -15.826 1.194 1.00 4.70 O ATOM 885 CG2 THR A1104 12.829 -18.110 0.536 1.00 2.61 C ATOM 0 H THR A1104 11.454 -16.174 -0.940 1.00 1.81 H new ATOM 0 HA THR A1104 10.129 -17.626 1.117 1.00 2.46 H new ATOM 0 HB THR A1104 12.144 -17.268 2.390 1.00 3.39 H new ATOM 0 HG1 THR A1104 13.911 -16.033 1.457 1.00 4.70 H new ATOM 0 HG21 THR A1104 13.862 -18.244 0.858 1.00 2.61 H new ATOM 0 HG22 THR A1104 12.275 -19.034 0.701 1.00 2.61 H new ATOM 0 HG23 THR A1104 12.809 -17.859 -0.525 1.00 2.61 H new ATOM 893 N LEU A1105 9.010 -14.983 1.401 1.00 1.55 N ATOM 894 CA LEU A1105 8.351 -13.865 2.091 1.00 1.11 C ATOM 895 C LEU A1105 6.970 -14.209 2.708 1.00 0.95 C ATOM 896 O LEU A1105 6.187 -14.963 2.115 1.00 1.08 O ATOM 897 CB LEU A1105 8.342 -12.639 1.147 1.00 0.96 C ATOM 898 CG LEU A1105 7.082 -12.438 0.282 1.00 0.82 C ATOM 899 CD1 LEU A1105 7.006 -10.999 -0.214 1.00 0.71 C ATOM 900 CD2 LEU A1105 7.088 -13.381 -0.915 1.00 1.04 C ATOM 0 H LEU A1105 8.585 -15.190 0.497 1.00 1.55 H new ATOM 0 HA LEU A1105 8.934 -13.618 2.978 1.00 1.11 H new ATOM 0 HB2 LEU A1105 8.486 -11.743 1.752 1.00 0.96 H new ATOM 0 HB3 LEU A1105 9.202 -12.716 0.482 1.00 0.96 H new ATOM 0 HG LEU A1105 6.213 -12.658 0.902 1.00 0.82 H new ATOM 0 HD11 LEU A1105 6.111 -10.871 -0.824 1.00 0.71 H new ATOM 0 HD12 LEU A1105 6.964 -10.322 0.639 1.00 0.71 H new ATOM 0 HD13 LEU A1105 7.888 -10.773 -0.813 1.00 0.71 H new ATOM 0 HD21 LEU A1105 6.189 -13.220 -1.510 1.00 1.04 H new ATOM 0 HD22 LEU A1105 7.968 -13.186 -1.528 1.00 1.04 H new ATOM 0 HD23 LEU A1105 7.111 -14.413 -0.565 1.00 1.04 H new ATOM 912 N GLY A1106 6.631 -13.582 3.844 1.00 0.83 N ATOM 913 CA GLY A1106 5.335 -13.700 4.537 1.00 0.83 C ATOM 914 C GLY A1106 5.107 -14.966 5.380 1.00 0.81 C ATOM 915 O GLY A1106 5.530 -16.067 5.013 1.00 1.11 O ATOM 0 H GLY A1106 7.275 -12.954 4.325 1.00 0.83 H new ATOM 0 HA2 GLY A1106 5.219 -12.834 5.188 1.00 0.83 H new ATOM 0 HA3 GLY A1106 4.544 -13.644 3.789 1.00 0.83 H new ATOM 919 N THR A1107 4.385 -14.802 6.498 1.00 0.67 N ATOM 920 CA THR A1107 3.984 -15.870 7.436 1.00 0.70 C ATOM 921 C THR A1107 2.565 -15.692 7.991 1.00 0.76 C ATOM 922 O THR A1107 1.727 -16.556 7.741 1.00 1.41 O ATOM 923 CB THR A1107 5.026 -16.034 8.562 1.00 0.81 C ATOM 924 OG1 THR A1107 6.075 -16.839 8.089 1.00 1.16 O ATOM 925 CG2 THR A1107 4.541 -16.708 9.849 1.00 0.95 C ATOM 0 H THR A1107 4.048 -13.884 6.789 1.00 0.67 H new ATOM 0 HA THR A1107 3.956 -16.795 6.860 1.00 0.70 H new ATOM 0 HB THR A1107 5.302 -15.011 8.817 1.00 0.81 H new ATOM 0 HG1 THR A1107 6.111 -16.788 7.111 1.00 1.16 H new ATOM 0 HG21 THR A1107 5.363 -16.765 10.562 1.00 0.95 H new ATOM 0 HG22 THR A1107 3.726 -16.126 10.280 1.00 0.95 H new ATOM 0 HG23 THR A1107 4.188 -17.714 9.622 1.00 0.95 H new ATOM 933 N CYS A1108 2.266 -14.627 8.746 1.00 0.67 N ATOM 934 CA CYS A1108 0.993 -14.488 9.477 1.00 0.73 C ATOM 935 C CYS A1108 0.394 -13.075 9.351 1.00 0.75 C ATOM 936 O CYS A1108 1.123 -12.092 9.407 1.00 0.94 O ATOM 937 CB CYS A1108 1.229 -14.913 10.934 1.00 1.05 C ATOM 938 SG CYS A1108 -0.253 -14.711 11.963 1.00 1.50 S ATOM 0 H CYS A1108 2.898 -13.836 8.869 1.00 0.67 H new ATOM 0 HA CYS A1108 0.242 -15.142 9.033 1.00 0.73 H new ATOM 0 HB2 CYS A1108 1.546 -15.956 10.959 1.00 1.05 H new ATOM 0 HB3 CYS A1108 2.043 -14.323 11.354 1.00 1.05 H new ATOM 0 HG CYS A1108 0.023 -13.944 12.976 1.00 1.50 H new ATOM 944 N ILE A1109 -0.936 -13.011 9.228 1.00 0.73 N ATOM 945 CA ILE A1109 -1.839 -11.908 8.920 1.00 0.69 C ATOM 946 C ILE A1109 -3.120 -12.046 9.762 1.00 0.74 C ATOM 947 O ILE A1109 -3.659 -13.145 9.905 1.00 0.86 O ATOM 948 CB ILE A1109 -2.180 -11.979 7.403 1.00 0.85 C ATOM 949 CG1 ILE A1109 -1.106 -11.267 6.566 1.00 1.63 C ATOM 950 CG2 ILE A1109 -3.568 -11.448 7.005 1.00 1.80 C ATOM 951 CD1 ILE A1109 -1.167 -9.742 6.679 1.00 2.07 C ATOM 0 H ILE A1109 -1.478 -13.864 9.364 1.00 0.73 H new ATOM 0 HA ILE A1109 -1.375 -10.950 9.153 1.00 0.69 H new ATOM 0 HB ILE A1109 -2.200 -13.048 7.189 1.00 0.85 H new ATOM 0 HG12 ILE A1109 -0.121 -11.609 6.883 1.00 1.63 H new ATOM 0 HG13 ILE A1109 -1.221 -11.552 5.520 1.00 1.63 H new ATOM 0 HG21 ILE A1109 -3.699 -11.545 5.927 1.00 1.80 H new ATOM 0 HG22 ILE A1109 -4.339 -12.023 7.518 1.00 1.80 H new ATOM 0 HG23 ILE A1109 -3.651 -10.398 7.287 1.00 1.80 H new ATOM 0 HD11 ILE A1109 -0.383 -9.300 6.065 1.00 2.07 H new ATOM 0 HD12 ILE A1109 -2.139 -9.390 6.334 1.00 2.07 H new ATOM 0 HD13 ILE A1109 -1.022 -9.448 7.719 1.00 2.07 H new ATOM 963 N ASP A1110 -3.640 -10.928 10.267 1.00 0.77 N ATOM 964 CA ASP A1110 -4.996 -10.814 10.833 1.00 0.75 C ATOM 965 C ASP A1110 -5.784 -9.920 9.862 1.00 0.85 C ATOM 966 O ASP A1110 -5.529 -8.720 9.805 1.00 1.97 O ATOM 967 CB ASP A1110 -4.943 -10.275 12.271 1.00 0.88 C ATOM 968 CG ASP A1110 -6.325 -10.121 12.923 1.00 1.54 C ATOM 969 OD1 ASP A1110 -7.329 -10.649 12.393 1.00 2.36 O ATOM 970 OD2 ASP A1110 -6.399 -9.433 13.972 1.00 2.57 O ATOM 0 H ASP A1110 -3.121 -10.050 10.298 1.00 0.77 H new ATOM 0 HA ASP A1110 -5.495 -11.779 10.923 1.00 0.75 H new ATOM 0 HB2 ASP A1110 -4.337 -10.946 12.879 1.00 0.88 H new ATOM 0 HB3 ASP A1110 -4.442 -9.307 12.269 1.00 0.88 H new ATOM 975 N PHE A1111 -6.665 -10.498 9.041 1.00 1.03 N ATOM 976 CA PHE A1111 -7.263 -9.855 7.856 1.00 1.10 C ATOM 977 C PHE A1111 -8.558 -9.066 8.143 1.00 1.00 C ATOM 978 O PHE A1111 -9.464 -9.591 8.800 1.00 1.15 O ATOM 979 CB PHE A1111 -7.464 -10.981 6.819 1.00 1.67 C ATOM 980 CG PHE A1111 -7.712 -10.598 5.368 1.00 1.02 C ATOM 981 CD1 PHE A1111 -6.640 -10.238 4.524 1.00 2.49 C ATOM 982 CD2 PHE A1111 -9.001 -10.736 4.820 1.00 1.96 C ATOM 983 CE1 PHE A1111 -6.862 -10.014 3.152 1.00 3.26 C ATOM 984 CE2 PHE A1111 -9.216 -10.527 3.446 1.00 2.37 C ATOM 985 CZ PHE A1111 -8.151 -10.150 2.613 1.00 2.70 C ATOM 0 H PHE A1111 -6.995 -11.453 9.182 1.00 1.03 H new ATOM 0 HA PHE A1111 -6.595 -9.080 7.480 1.00 1.10 H new ATOM 0 HB2 PHE A1111 -6.580 -11.618 6.847 1.00 1.67 H new ATOM 0 HB3 PHE A1111 -8.306 -11.589 7.150 1.00 1.67 H new ATOM 0 HD1 PHE A1111 -5.646 -10.134 4.932 1.00 2.49 H new ATOM 0 HD2 PHE A1111 -9.830 -11.004 5.458 1.00 1.96 H new ATOM 0 HE1 PHE A1111 -6.038 -9.737 2.512 1.00 3.26 H new ATOM 0 HE2 PHE A1111 -10.204 -10.657 3.030 1.00 2.37 H new ATOM 0 HZ PHE A1111 -8.322 -9.966 1.563 1.00 2.70 H new ATOM 995 N GLN A1112 -8.667 -7.831 7.624 1.00 0.96 N ATOM 996 CA GLN A1112 -9.849 -6.958 7.694 1.00 0.97 C ATOM 997 C GLN A1112 -10.076 -6.226 6.354 1.00 0.93 C ATOM 998 O GLN A1112 -9.221 -5.442 5.936 1.00 1.03 O ATOM 999 CB GLN A1112 -9.657 -5.874 8.771 1.00 0.97 C ATOM 1000 CG GLN A1112 -9.808 -6.267 10.242 1.00 1.01 C ATOM 1001 CD GLN A1112 -8.552 -6.857 10.829 1.00 1.20 C ATOM 1002 OE1 GLN A1112 -7.403 -6.555 10.292 1.00 2.11 O flip ATOM 1003 NE2 GLN A1112 -8.566 -7.574 11.815 1.00 1.16 N flip ATOM 0 H GLN A1112 -7.895 -7.394 7.120 1.00 0.96 H new ATOM 0 HA GLN A1112 -10.701 -7.596 7.930 1.00 0.97 H new ATOM 0 HB2 GLN A1112 -8.660 -5.452 8.642 1.00 0.97 H new ATOM 0 HB3 GLN A1112 -10.370 -5.075 8.567 1.00 0.97 H new ATOM 0 HG2 GLN A1112 -10.093 -5.387 10.819 1.00 1.01 H new ATOM 0 HG3 GLN A1112 -10.620 -6.988 10.338 1.00 1.01 H new ATOM 0 HE21 GLN A1112 -9.453 -7.823 12.252 1.00 1.16 H new ATOM 0 HE22 GLN A1112 -7.690 -7.925 12.203 1.00 1.16 H new ATOM 1012 N VAL A1113 -11.238 -6.419 5.718 1.00 0.81 N ATOM 1013 CA VAL A1113 -11.620 -5.783 4.434 1.00 0.74 C ATOM 1014 C VAL A1113 -12.628 -4.650 4.642 1.00 0.77 C ATOM 1015 O VAL A1113 -13.590 -4.808 5.398 1.00 0.86 O ATOM 1016 CB VAL A1113 -12.213 -6.817 3.451 1.00 0.90 C ATOM 1017 CG1 VAL A1113 -12.530 -6.206 2.077 1.00 2.32 C ATOM 1018 CG2 VAL A1113 -11.273 -8.001 3.217 1.00 1.62 C ATOM 0 H VAL A1113 -11.963 -7.036 6.085 1.00 0.81 H new ATOM 0 HA VAL A1113 -10.707 -5.367 4.009 1.00 0.74 H new ATOM 0 HB VAL A1113 -13.132 -7.157 3.928 1.00 0.90 H new ATOM 0 HG11 VAL A1113 -12.944 -6.974 1.424 1.00 2.32 H new ATOM 0 HG12 VAL A1113 -13.255 -5.401 2.195 1.00 2.32 H new ATOM 0 HG13 VAL A1113 -11.616 -5.809 1.636 1.00 2.32 H new ATOM 0 HG21 VAL A1113 -11.735 -8.700 2.519 1.00 1.62 H new ATOM 0 HG22 VAL A1113 -10.332 -7.642 2.801 1.00 1.62 H new ATOM 0 HG23 VAL A1113 -11.082 -8.507 4.164 1.00 1.62 H new ATOM 1028 N VAL A1114 -12.487 -3.539 3.907 1.00 0.82 N ATOM 1029 CA VAL A1114 -13.497 -2.465 3.831 1.00 1.04 C ATOM 1030 C VAL A1114 -13.840 -2.196 2.353 1.00 1.02 C ATOM 1031 O VAL A1114 -12.975 -1.708 1.618 1.00 0.94 O ATOM 1032 CB VAL A1114 -13.017 -1.186 4.548 1.00 1.22 C ATOM 1033 CG1 VAL A1114 -14.097 -0.096 4.512 1.00 1.51 C ATOM 1034 CG2 VAL A1114 -12.703 -1.463 6.024 1.00 1.33 C ATOM 0 H VAL A1114 -11.659 -3.355 3.340 1.00 0.82 H new ATOM 0 HA VAL A1114 -14.400 -2.788 4.349 1.00 1.04 H new ATOM 0 HB VAL A1114 -12.121 -0.855 4.024 1.00 1.22 H new ATOM 0 HG11 VAL A1114 -13.733 0.794 5.024 1.00 1.51 H new ATOM 0 HG12 VAL A1114 -14.330 0.151 3.476 1.00 1.51 H new ATOM 0 HG13 VAL A1114 -14.996 -0.458 5.010 1.00 1.51 H new ATOM 0 HG21 VAL A1114 -12.367 -0.543 6.503 1.00 1.33 H new ATOM 0 HG22 VAL A1114 -13.600 -1.827 6.525 1.00 1.33 H new ATOM 0 HG23 VAL A1114 -11.918 -2.216 6.094 1.00 1.33 H new ATOM 1044 N PRO A1115 -15.066 -2.510 1.879 1.00 1.25 N ATOM 1045 CA PRO A1115 -15.469 -2.299 0.484 1.00 1.45 C ATOM 1046 C PRO A1115 -15.448 -0.824 0.053 1.00 1.61 C ATOM 1047 O PRO A1115 -15.785 0.072 0.836 1.00 1.79 O ATOM 1048 CB PRO A1115 -16.874 -2.898 0.354 1.00 1.77 C ATOM 1049 CG PRO A1115 -16.917 -3.944 1.464 1.00 1.59 C ATOM 1050 CD PRO A1115 -16.089 -3.289 2.568 1.00 1.39 C ATOM 0 HA PRO A1115 -14.754 -2.783 -0.182 1.00 1.45 H new ATOM 0 HB2 PRO A1115 -17.647 -2.141 0.485 1.00 1.77 H new ATOM 0 HB3 PRO A1115 -17.030 -3.347 -0.627 1.00 1.77 H new ATOM 0 HG2 PRO A1115 -17.937 -4.149 1.789 1.00 1.59 H new ATOM 0 HG3 PRO A1115 -16.488 -4.893 1.144 1.00 1.59 H new ATOM 0 HD2 PRO A1115 -16.709 -2.652 3.198 1.00 1.39 H new ATOM 0 HD3 PRO A1115 -15.639 -4.039 3.218 1.00 1.39 H new ATOM 1058 N GLY A1116 -15.050 -0.566 -1.194 1.00 1.70 N ATOM 1059 CA GLY A1116 -14.863 0.777 -1.756 1.00 1.87 C ATOM 1060 C GLY A1116 -13.698 1.551 -1.128 1.00 1.54 C ATOM 1061 O GLY A1116 -13.635 2.776 -1.260 1.00 2.06 O ATOM 0 H GLY A1116 -14.842 -1.307 -1.863 1.00 1.70 H new ATOM 0 HA2 GLY A1116 -14.694 0.692 -2.829 1.00 1.87 H new ATOM 0 HA3 GLY A1116 -15.781 1.348 -1.622 1.00 1.87 H new ATOM 1065 N CYS A1117 -12.819 0.844 -0.405 1.00 0.98 N ATOM 1066 CA CYS A1117 -11.677 1.389 0.326 1.00 0.99 C ATOM 1067 C CYS A1117 -10.402 0.556 0.080 1.00 1.00 C ATOM 1068 O CYS A1117 -9.622 0.869 -0.822 1.00 1.91 O ATOM 1069 CB CYS A1117 -12.003 1.556 1.823 1.00 1.50 C ATOM 1070 SG CYS A1117 -13.371 2.722 2.076 1.00 1.60 S ATOM 0 H CYS A1117 -12.892 -0.169 -0.312 1.00 0.98 H new ATOM 0 HA CYS A1117 -11.470 2.387 -0.061 1.00 0.99 H new ATOM 0 HB2 CYS A1117 -12.264 0.588 2.250 1.00 1.50 H new ATOM 0 HB3 CYS A1117 -11.118 1.910 2.352 1.00 1.50 H new ATOM 0 HG CYS A1117 -13.616 2.834 3.348 1.00 1.60 H new ATOM 1076 N GLY A1118 -10.179 -0.496 0.870 1.00 0.64 N ATOM 1077 CA GLY A1118 -8.946 -1.281 0.855 1.00 0.90 C ATOM 1078 C GLY A1118 -8.899 -2.320 1.983 1.00 0.78 C ATOM 1079 O GLY A1118 -9.947 -2.808 2.420 1.00 0.82 O ATOM 0 H GLY A1118 -10.862 -0.831 1.549 1.00 0.64 H new ATOM 0 HA2 GLY A1118 -8.853 -1.788 -0.106 1.00 0.90 H new ATOM 0 HA3 GLY A1118 -8.091 -0.611 0.946 1.00 0.90 H new ATOM 1083 N ILE A1119 -7.691 -2.666 2.446 1.00 0.76 N ATOM 1084 CA ILE A1119 -7.454 -3.745 3.424 1.00 0.85 C ATOM 1085 C ILE A1119 -6.485 -3.309 4.535 1.00 0.79 C ATOM 1086 O ILE A1119 -5.579 -2.503 4.306 1.00 0.76 O ATOM 1087 CB ILE A1119 -7.032 -5.037 2.673 1.00 1.01 C ATOM 1088 CG1 ILE A1119 -7.651 -6.320 3.257 1.00 1.35 C ATOM 1089 CG2 ILE A1119 -5.518 -5.204 2.476 1.00 2.20 C ATOM 1090 CD1 ILE A1119 -6.889 -6.993 4.393 1.00 1.41 C ATOM 0 H ILE A1119 -6.834 -2.199 2.149 1.00 0.76 H new ATOM 0 HA ILE A1119 -8.379 -3.973 3.953 1.00 0.85 H new ATOM 0 HB ILE A1119 -7.454 -4.888 1.679 1.00 1.01 H new ATOM 0 HG12 ILE A1119 -8.653 -6.082 3.614 1.00 1.35 H new ATOM 0 HG13 ILE A1119 -7.763 -7.042 2.448 1.00 1.35 H new ATOM 0 HG21 ILE A1119 -5.321 -6.134 1.943 1.00 2.20 H new ATOM 0 HG22 ILE A1119 -5.132 -4.365 1.897 1.00 2.20 H new ATOM 0 HG23 ILE A1119 -5.025 -5.232 3.448 1.00 2.20 H new ATOM 0 HD11 ILE A1119 -7.428 -7.884 4.715 1.00 1.41 H new ATOM 0 HD12 ILE A1119 -5.895 -7.276 4.047 1.00 1.41 H new ATOM 0 HD13 ILE A1119 -6.798 -6.301 5.230 1.00 1.41 H new ATOM 1102 N SER A1120 -6.698 -3.820 5.751 1.00 0.73 N ATOM 1103 CA SER A1120 -5.884 -3.560 6.951 1.00 0.55 C ATOM 1104 C SER A1120 -5.575 -4.857 7.704 1.00 0.48 C ATOM 1105 O SER A1120 -6.411 -5.764 7.738 1.00 0.51 O ATOM 1106 CB SER A1120 -6.621 -2.569 7.855 1.00 0.58 C ATOM 1107 OG SER A1120 -5.850 -2.225 8.985 1.00 0.55 O ATOM 0 H SER A1120 -7.475 -4.454 5.938 1.00 0.73 H new ATOM 0 HA SER A1120 -4.931 -3.129 6.644 1.00 0.55 H new ATOM 0 HB2 SER A1120 -6.861 -1.669 7.289 1.00 0.58 H new ATOM 0 HB3 SER A1120 -7.567 -3.004 8.178 1.00 0.58 H new ATOM 0 HG SER A1120 -6.349 -1.590 9.540 1.00 0.55 H new ATOM 1113 N CYS A1121 -4.383 -4.981 8.296 1.00 0.46 N ATOM 1114 CA CYS A1121 -3.940 -6.213 8.965 1.00 0.49 C ATOM 1115 C CYS A1121 -2.825 -6.036 10.012 1.00 0.47 C ATOM 1116 O CYS A1121 -2.226 -4.966 10.139 1.00 0.47 O ATOM 1117 CB CYS A1121 -3.530 -7.242 7.890 1.00 0.56 C ATOM 1118 SG CYS A1121 -2.142 -6.583 6.923 1.00 0.62 S ATOM 0 H CYS A1121 -3.695 -4.229 8.326 1.00 0.46 H new ATOM 0 HA CYS A1121 -4.791 -6.567 9.548 1.00 0.49 H new ATOM 0 HB2 CYS A1121 -3.245 -8.183 8.361 1.00 0.56 H new ATOM 0 HB3 CYS A1121 -4.375 -7.456 7.235 1.00 0.56 H new ATOM 0 HG CYS A1121 -2.191 -7.059 5.714 1.00 0.62 H new ATOM 1124 N LYS A1122 -2.525 -7.125 10.740 1.00 0.49 N ATOM 1125 CA LYS A1122 -1.365 -7.253 11.642 1.00 0.52 C ATOM 1126 C LYS A1122 -0.453 -8.323 11.063 1.00 0.49 C ATOM 1127 O LYS A1122 -0.912 -9.455 10.924 1.00 0.58 O ATOM 1128 CB LYS A1122 -1.797 -7.648 13.070 1.00 0.65 C ATOM 1129 CG LYS A1122 -2.967 -6.863 13.657 1.00 0.69 C ATOM 1130 CD LYS A1122 -2.632 -5.377 13.798 1.00 0.77 C ATOM 1131 CE LYS A1122 -3.689 -4.694 14.656 1.00 0.81 C ATOM 1132 NZ LYS A1122 -4.996 -4.574 13.976 1.00 1.12 N ATOM 0 H LYS A1122 -3.100 -7.967 10.717 1.00 0.49 H new ATOM 0 HA LYS A1122 -0.852 -6.294 11.716 1.00 0.52 H new ATOM 0 HB2 LYS A1122 -2.059 -8.706 13.069 1.00 0.65 H new ATOM 0 HB3 LYS A1122 -0.939 -7.533 13.733 1.00 0.65 H new ATOM 0 HG2 LYS A1122 -3.842 -6.980 13.018 1.00 0.69 H new ATOM 0 HG3 LYS A1122 -3.228 -7.272 14.633 1.00 0.69 H new ATOM 0 HD2 LYS A1122 -1.648 -5.257 14.251 1.00 0.77 H new ATOM 0 HD3 LYS A1122 -2.589 -4.909 12.815 1.00 0.77 H new ATOM 0 HE2 LYS A1122 -3.817 -5.256 15.581 1.00 0.81 H new ATOM 0 HE3 LYS A1122 -3.337 -3.700 14.933 1.00 0.81 H new ATOM 0 HZ1 LYS A1122 -5.674 -4.102 14.608 1.00 1.12 H new ATOM 0 HZ2 LYS A1122 -4.885 -4.014 13.107 1.00 1.12 H new ATOM 0 HZ3 LYS A1122 -5.350 -5.522 13.734 1.00 1.12 H new ATOM 1146 N VAL A1123 0.804 -8.023 10.738 1.00 0.55 N ATOM 1147 CA VAL A1123 1.643 -8.934 9.941 1.00 0.51 C ATOM 1148 C VAL A1123 3.016 -9.242 10.542 1.00 0.72 C ATOM 1149 O VAL A1123 3.710 -8.332 10.987 1.00 0.97 O ATOM 1150 CB VAL A1123 1.719 -8.430 8.487 1.00 0.58 C ATOM 1151 CG1 VAL A1123 2.453 -7.092 8.327 1.00 1.64 C ATOM 1152 CG2 VAL A1123 2.293 -9.510 7.563 1.00 1.86 C ATOM 0 H VAL A1123 1.269 -7.157 11.012 1.00 0.55 H new ATOM 0 HA VAL A1123 1.151 -9.906 9.954 1.00 0.51 H new ATOM 0 HB VAL A1123 0.692 -8.226 8.185 1.00 0.58 H new ATOM 0 HG11 VAL A1123 2.463 -6.806 7.275 1.00 1.64 H new ATOM 0 HG12 VAL A1123 1.940 -6.324 8.907 1.00 1.64 H new ATOM 0 HG13 VAL A1123 3.477 -7.194 8.685 1.00 1.64 H new ATOM 0 HG21 VAL A1123 2.336 -9.130 6.542 1.00 1.86 H new ATOM 0 HG22 VAL A1123 3.297 -9.776 7.894 1.00 1.86 H new ATOM 0 HG23 VAL A1123 1.654 -10.393 7.595 1.00 1.86 H new ATOM 1162 N THR A1124 3.410 -10.522 10.543 1.00 0.74 N ATOM 1163 CA THR A1124 4.786 -10.959 10.870 1.00 1.05 C ATOM 1164 C THR A1124 5.367 -11.985 9.898 1.00 1.05 C ATOM 1165 O THR A1124 4.669 -12.743 9.216 1.00 0.93 O ATOM 1166 CB THR A1124 4.972 -11.561 12.290 1.00 1.30 C ATOM 1167 OG1 THR A1124 6.314 -11.409 12.704 1.00 1.73 O ATOM 1168 CG2 THR A1124 4.724 -13.076 12.393 1.00 1.29 C ATOM 0 H THR A1124 2.783 -11.294 10.316 1.00 0.74 H new ATOM 0 HA THR A1124 5.319 -10.011 10.799 1.00 1.05 H new ATOM 0 HB THR A1124 4.241 -11.026 12.896 1.00 1.30 H new ATOM 0 HG1 THR A1124 6.425 -11.789 13.601 1.00 1.73 H new ATOM 0 HG21 THR A1124 4.879 -13.401 13.422 1.00 1.29 H new ATOM 0 HG22 THR A1124 3.700 -13.298 12.092 1.00 1.29 H new ATOM 0 HG23 THR A1124 5.417 -13.604 11.738 1.00 1.29 H new ATOM 1176 N ASN A1125 6.687 -12.036 9.993 1.00 1.37 N ATOM 1177 CA ASN A1125 7.616 -13.070 9.582 1.00 1.51 C ATOM 1178 C ASN A1125 8.938 -12.876 10.367 1.00 1.62 C ATOM 1179 O ASN A1125 9.577 -13.865 10.728 1.00 2.01 O ATOM 1180 CB ASN A1125 7.803 -13.108 8.065 1.00 1.66 C ATOM 1181 CG ASN A1125 8.840 -14.137 7.743 1.00 2.03 C ATOM 1182 OD1 ASN A1125 10.019 -13.855 7.612 1.00 2.60 O ATOM 1183 ND2 ASN A1125 8.479 -15.380 7.804 1.00 1.86 N ATOM 0 H ASN A1125 7.191 -11.255 10.413 1.00 1.37 H new ATOM 0 HA ASN A1125 7.212 -14.053 9.826 1.00 1.51 H new ATOM 0 HB2 ASN A1125 6.861 -13.351 7.573 1.00 1.66 H new ATOM 0 HB3 ASN A1125 8.112 -12.130 7.696 1.00 1.66 H new ATOM 0 HD21 ASN A1125 9.180 -16.118 7.742 1.00 1.86 H new ATOM 0 HD22 ASN A1125 7.494 -15.620 7.914 1.00 1.86 H new ATOM 1951 N GLN A1177 3.734 -8.457 15.316 1.00 1.87 N ATOM 1952 CA GLN A1177 2.793 -8.305 14.207 1.00 1.72 C ATOM 1953 C GLN A1177 2.543 -6.814 13.938 1.00 1.65 C ATOM 1954 O GLN A1177 1.745 -6.164 14.614 1.00 2.58 O ATOM 1955 CB GLN A1177 1.556 -9.163 14.466 1.00 1.99 C ATOM 1956 CG GLN A1177 1.938 -10.581 14.018 1.00 1.82 C ATOM 1957 CD GLN A1177 0.798 -11.539 13.942 1.00 2.18 C ATOM 1958 OE1 GLN A1177 0.682 -12.513 14.672 1.00 3.51 O ATOM 1959 NE2 GLN A1177 0.013 -11.395 12.916 1.00 1.84 N ATOM 0 HA GLN A1177 3.202 -8.685 13.271 1.00 1.72 H new ATOM 0 HB2 GLN A1177 1.280 -9.146 15.520 1.00 1.99 H new ATOM 0 HB3 GLN A1177 0.697 -8.793 13.906 1.00 1.99 H new ATOM 0 HG2 GLN A1177 2.412 -10.522 13.038 1.00 1.82 H new ATOM 0 HG3 GLN A1177 2.682 -10.977 14.709 1.00 1.82 H new ATOM 0 HE21 GLN A1177 0.112 -10.582 12.309 1.00 1.84 H new ATOM 0 HE22 GLN A1177 -0.702 -12.095 12.718 1.00 1.84 H new ATOM 1968 N TYR A1178 3.252 -6.281 12.942 1.00 0.78 N ATOM 1969 CA TYR A1178 3.220 -4.875 12.517 1.00 0.69 C ATOM 1970 C TYR A1178 1.825 -4.495 11.993 1.00 0.55 C ATOM 1971 O TYR A1178 1.263 -5.230 11.178 1.00 0.59 O ATOM 1972 CB TYR A1178 4.276 -4.677 11.408 1.00 0.70 C ATOM 1973 CG TYR A1178 5.677 -4.269 11.836 1.00 1.05 C ATOM 1974 CD1 TYR A1178 6.375 -4.970 12.841 1.00 2.20 C ATOM 1975 CD2 TYR A1178 6.303 -3.187 11.181 1.00 1.84 C ATOM 1976 CE1 TYR A1178 7.683 -4.581 13.197 1.00 2.55 C ATOM 1977 CE2 TYR A1178 7.611 -2.802 11.529 1.00 2.12 C ATOM 1978 CZ TYR A1178 8.306 -3.497 12.541 1.00 1.97 C ATOM 1979 OH TYR A1178 9.577 -3.129 12.852 1.00 2.45 O ATOM 0 H TYR A1178 3.895 -6.841 12.382 1.00 0.78 H new ATOM 0 HA TYR A1178 3.443 -4.232 13.368 1.00 0.69 H new ATOM 0 HB2 TYR A1178 4.354 -5.609 10.848 1.00 0.70 H new ATOM 0 HB3 TYR A1178 3.901 -3.921 10.718 1.00 0.70 H new ATOM 0 HD1 TYR A1178 5.907 -5.806 13.339 1.00 2.20 H new ATOM 0 HD2 TYR A1178 5.774 -2.651 10.407 1.00 1.84 H new ATOM 0 HE1 TYR A1178 8.210 -5.114 13.974 1.00 2.55 H new ATOM 0 HE2 TYR A1178 8.083 -1.974 11.021 1.00 2.12 H new ATOM 0 HH TYR A1178 9.841 -2.364 12.299 1.00 2.45 H new ATOM 1989 N LYS A1179 1.265 -3.351 12.416 1.00 0.54 N ATOM 1990 CA LYS A1179 -0.084 -2.904 12.004 1.00 0.51 C ATOM 1991 C LYS A1179 -0.035 -2.042 10.738 1.00 0.52 C ATOM 1992 O LYS A1179 0.531 -0.950 10.764 1.00 0.62 O ATOM 1993 CB LYS A1179 -0.754 -2.168 13.183 1.00 0.61 C ATOM 1994 CG LYS A1179 -2.209 -1.749 12.899 1.00 0.67 C ATOM 1995 CD LYS A1179 -2.827 -1.041 14.113 1.00 0.90 C ATOM 1996 CE LYS A1179 -4.294 -0.667 13.873 1.00 1.47 C ATOM 1997 NZ LYS A1179 -4.845 0.076 15.030 1.00 1.55 N ATOM 0 H LYS A1179 1.731 -2.706 13.054 1.00 0.54 H new ATOM 0 HA LYS A1179 -0.686 -3.776 11.748 1.00 0.51 H new ATOM 0 HB2 LYS A1179 -0.735 -2.813 14.062 1.00 0.61 H new ATOM 0 HB3 LYS A1179 -0.170 -1.281 13.426 1.00 0.61 H new ATOM 0 HG2 LYS A1179 -2.238 -1.086 12.034 1.00 0.67 H new ATOM 0 HG3 LYS A1179 -2.801 -2.628 12.646 1.00 0.67 H new ATOM 0 HD2 LYS A1179 -2.756 -1.690 14.986 1.00 0.90 H new ATOM 0 HD3 LYS A1179 -2.255 -0.141 14.338 1.00 0.90 H new ATOM 0 HE2 LYS A1179 -4.376 -0.059 12.972 1.00 1.47 H new ATOM 0 HE3 LYS A1179 -4.881 -1.570 13.702 1.00 1.47 H new ATOM 0 HZ1 LYS A1179 -5.839 0.319 14.845 1.00 1.55 H new ATOM 0 HZ2 LYS A1179 -4.786 -0.516 15.883 1.00 1.55 H new ATOM 0 HZ3 LYS A1179 -4.297 0.948 15.175 1.00 1.55 H new ATOM 2011 N VAL A1180 -0.642 -2.515 9.645 1.00 0.48 N ATOM 2012 CA VAL A1180 -0.540 -1.894 8.305 1.00 0.48 C ATOM 2013 C VAL A1180 -1.884 -1.843 7.561 1.00 0.41 C ATOM 2014 O VAL A1180 -2.677 -2.779 7.655 1.00 0.44 O ATOM 2015 CB VAL A1180 0.548 -2.584 7.444 1.00 0.54 C ATOM 2016 CG1 VAL A1180 1.884 -2.755 8.184 1.00 0.60 C ATOM 2017 CG2 VAL A1180 0.158 -3.980 6.946 1.00 0.56 C ATOM 0 H VAL A1180 -1.227 -3.350 9.658 1.00 0.48 H new ATOM 0 HA VAL A1180 -0.240 -0.860 8.472 1.00 0.48 H new ATOM 0 HB VAL A1180 0.651 -1.901 6.601 1.00 0.54 H new ATOM 0 HG11 VAL A1180 2.604 -3.244 7.527 1.00 0.60 H new ATOM 0 HG12 VAL A1180 2.266 -1.777 8.476 1.00 0.60 H new ATOM 0 HG13 VAL A1180 1.731 -3.366 9.074 1.00 0.60 H new ATOM 0 HG21 VAL A1180 0.972 -4.395 6.352 1.00 0.56 H new ATOM 0 HG22 VAL A1180 -0.036 -4.630 7.799 1.00 0.56 H new ATOM 0 HG23 VAL A1180 -0.740 -3.910 6.332 1.00 0.56 H new ATOM 2027 N LEU A1181 -2.120 -0.780 6.781 1.00 0.34 N ATOM 2028 CA LEU A1181 -3.264 -0.647 5.864 1.00 0.27 C ATOM 2029 C LEU A1181 -2.900 0.009 4.520 1.00 0.31 C ATOM 2030 O LEU A1181 -1.972 0.815 4.433 1.00 0.30 O ATOM 2031 CB LEU A1181 -4.461 0.055 6.541 1.00 0.30 C ATOM 2032 CG LEU A1181 -4.289 1.547 6.898 1.00 0.39 C ATOM 2033 CD1 LEU A1181 -5.607 2.306 6.734 1.00 0.60 C ATOM 2034 CD2 LEU A1181 -3.845 1.745 8.349 1.00 0.53 C ATOM 0 H LEU A1181 -1.505 0.034 6.769 1.00 0.34 H new ATOM 0 HA LEU A1181 -3.571 -1.665 5.622 1.00 0.27 H new ATOM 0 HB2 LEU A1181 -5.325 -0.038 5.883 1.00 0.30 H new ATOM 0 HB3 LEU A1181 -4.698 -0.487 7.456 1.00 0.30 H new ATOM 0 HG LEU A1181 -3.527 1.927 6.218 1.00 0.39 H new ATOM 0 HD11 LEU A1181 -5.458 3.354 6.992 1.00 0.60 H new ATOM 0 HD12 LEU A1181 -5.944 2.231 5.700 1.00 0.60 H new ATOM 0 HD13 LEU A1181 -6.360 1.874 7.393 1.00 0.60 H new ATOM 0 HD21 LEU A1181 -3.737 2.810 8.554 1.00 0.53 H new ATOM 0 HD22 LEU A1181 -4.592 1.320 9.019 1.00 0.53 H new ATOM 0 HD23 LEU A1181 -2.889 1.246 8.508 1.00 0.53 H new ATOM 2046 N ILE A1182 -3.653 -0.324 3.470 1.00 0.39 N ATOM 2047 CA ILE A1182 -3.465 0.168 2.093 1.00 0.42 C ATOM 2048 C ILE A1182 -4.815 0.242 1.363 1.00 0.53 C ATOM 2049 O ILE A1182 -5.631 -0.674 1.474 1.00 0.70 O ATOM 2050 CB ILE A1182 -2.423 -0.695 1.317 1.00 0.50 C ATOM 2051 CG1 ILE A1182 -2.436 -0.413 -0.211 1.00 0.50 C ATOM 2052 CG2 ILE A1182 -2.539 -2.202 1.633 1.00 0.79 C ATOM 2053 CD1 ILE A1182 -1.249 -1.011 -0.977 1.00 0.54 C ATOM 0 H ILE A1182 -4.441 -0.967 3.552 1.00 0.39 H new ATOM 0 HA ILE A1182 -3.058 1.178 2.140 1.00 0.42 H new ATOM 0 HB ILE A1182 -1.445 -0.381 1.683 1.00 0.50 H new ATOM 0 HG12 ILE A1182 -3.360 -0.807 -0.633 1.00 0.50 H new ATOM 0 HG13 ILE A1182 -2.448 0.665 -0.369 1.00 0.50 H new ATOM 0 HG21 ILE A1182 -1.789 -2.752 1.064 1.00 0.79 H new ATOM 0 HG22 ILE A1182 -2.377 -2.364 2.699 1.00 0.79 H new ATOM 0 HG23 ILE A1182 -3.533 -2.556 1.359 1.00 0.79 H new ATOM 0 HD11 ILE A1182 -1.338 -0.766 -2.035 1.00 0.54 H new ATOM 0 HD12 ILE A1182 -0.319 -0.599 -0.586 1.00 0.54 H new ATOM 0 HD13 ILE A1182 -1.245 -2.094 -0.854 1.00 0.54 H new ATOM 2065 N GLY A1183 -5.028 1.305 0.579 1.00 0.55 N ATOM 2066 CA GLY A1183 -6.156 1.429 -0.354 1.00 0.85 C ATOM 2067 C GLY A1183 -6.929 2.749 -0.267 1.00 0.72 C ATOM 2068 O GLY A1183 -7.038 3.356 0.796 1.00 1.64 O ATOM 0 H GLY A1183 -4.411 2.118 0.574 1.00 0.55 H new ATOM 0 HA2 GLY A1183 -5.781 1.312 -1.371 1.00 0.85 H new ATOM 0 HA3 GLY A1183 -6.849 0.607 -0.173 1.00 0.85 H new ATOM 2072 N ASN A1184 -7.495 3.164 -1.406 1.00 1.11 N ATOM 2073 CA ASN A1184 -8.253 4.418 -1.595 1.00 1.04 C ATOM 2074 C ASN A1184 -7.526 5.684 -1.051 1.00 1.31 C ATOM 2075 O ASN A1184 -6.291 5.694 -1.003 1.00 2.34 O ATOM 2076 CB ASN A1184 -9.679 4.168 -1.064 1.00 1.23 C ATOM 2077 CG ASN A1184 -10.717 4.005 -2.169 1.00 1.18 C ATOM 2078 OD1 ASN A1184 -11.420 4.944 -2.501 1.00 1.87 O ATOM 2079 ND2 ASN A1184 -10.874 2.844 -2.766 1.00 1.36 N ATOM 0 H ASN A1184 -7.438 2.614 -2.263 1.00 1.11 H new ATOM 0 HA ASN A1184 -8.324 4.673 -2.652 1.00 1.04 H new ATOM 0 HB2 ASN A1184 -9.676 3.272 -0.444 1.00 1.23 H new ATOM 0 HB3 ASN A1184 -9.970 4.999 -0.422 1.00 1.23 H new ATOM 0 HD21 ASN A1184 -11.577 2.737 -3.497 1.00 1.36 H new ATOM 0 HD22 ASN A1184 -10.293 2.050 -2.498 1.00 1.36 H new ATOM 2086 N ARG A1185 -8.251 6.774 -0.709 1.00 0.87 N ATOM 2087 CA ARG A1185 -7.651 8.026 -0.183 1.00 1.09 C ATOM 2088 C ARG A1185 -8.392 8.743 0.955 1.00 1.14 C ATOM 2089 O ARG A1185 -7.729 9.215 1.875 1.00 1.24 O ATOM 2090 CB ARG A1185 -7.321 8.982 -1.345 1.00 1.65 C ATOM 2091 CG ARG A1185 -8.551 9.541 -2.092 1.00 1.90 C ATOM 2092 CD ARG A1185 -8.259 9.811 -3.578 1.00 2.58 C ATOM 2093 NE ARG A1185 -7.907 8.564 -4.284 1.00 3.89 N ATOM 2094 CZ ARG A1185 -8.731 7.570 -4.552 1.00 4.92 C ATOM 2095 NH1 ARG A1185 -10.023 7.644 -4.455 1.00 5.18 N ATOM 2096 NH2 ARG A1185 -8.281 6.418 -4.918 1.00 6.42 N ATOM 0 H ARG A1185 -9.267 6.812 -0.789 1.00 0.87 H new ATOM 0 HA ARG A1185 -6.740 7.695 0.315 1.00 1.09 H new ATOM 0 HB2 ARG A1185 -6.739 9.817 -0.956 1.00 1.65 H new ATOM 0 HB3 ARG A1185 -6.687 8.458 -2.060 1.00 1.65 H new ATOM 0 HG2 ARG A1185 -9.376 8.834 -2.009 1.00 1.90 H new ATOM 0 HG3 ARG A1185 -8.874 10.466 -1.614 1.00 1.90 H new ATOM 0 HD2 ARG A1185 -9.132 10.264 -4.047 1.00 2.58 H new ATOM 0 HD3 ARG A1185 -7.442 10.527 -3.667 1.00 2.58 H new ATOM 0 HE ARG A1185 -6.940 8.462 -4.592 1.00 3.89 H new ATOM 0 HH11 ARG A1185 -10.463 8.514 -4.154 1.00 5.18 H new ATOM 0 HH12 ARG A1185 -10.599 6.832 -4.679 1.00 5.18 H new ATOM 0 HH21 ARG A1185 -7.276 6.267 -5.003 1.00 6.42 H new ATOM 0 HH22 ARG A1185 -8.930 5.658 -5.122 1.00 6.42 H new ATOM 2110 N GLU A1186 -9.727 8.785 0.976 1.00 1.31 N ATOM 2111 CA GLU A1186 -10.486 9.309 2.131 1.00 1.57 C ATOM 2112 C GLU A1186 -10.339 8.374 3.350 1.00 1.34 C ATOM 2113 O GLU A1186 -10.323 8.830 4.491 1.00 1.34 O ATOM 2114 CB GLU A1186 -11.962 9.565 1.755 1.00 2.08 C ATOM 2115 CG GLU A1186 -12.688 10.480 2.766 1.00 2.48 C ATOM 2116 CD GLU A1186 -14.161 10.751 2.410 1.00 2.99 C ATOM 2117 OE1 GLU A1186 -14.831 9.834 1.871 1.00 3.10 O ATOM 2118 OE2 GLU A1186 -14.700 11.843 2.733 1.00 3.99 O ATOM 0 H GLU A1186 -10.313 8.462 0.206 1.00 1.31 H new ATOM 0 HA GLU A1186 -10.065 10.273 2.416 1.00 1.57 H new ATOM 0 HB2 GLU A1186 -12.006 10.018 0.765 1.00 2.08 H new ATOM 0 HB3 GLU A1186 -12.487 8.612 1.693 1.00 2.08 H new ATOM 0 HG2 GLU A1186 -12.641 10.023 3.755 1.00 2.48 H new ATOM 0 HG3 GLU A1186 -12.158 11.430 2.828 1.00 2.48 H new ATOM 2125 N TRP A1187 -10.170 7.066 3.124 1.00 1.30 N ATOM 2126 CA TRP A1187 -9.926 6.075 4.179 1.00 1.32 C ATOM 2127 C TRP A1187 -8.705 6.409 5.067 1.00 1.01 C ATOM 2128 O TRP A1187 -8.750 6.180 6.276 1.00 1.18 O ATOM 2129 CB TRP A1187 -9.808 4.686 3.536 1.00 1.67 C ATOM 2130 CG TRP A1187 -10.059 3.516 4.431 1.00 1.68 C ATOM 2131 CD1 TRP A1187 -11.110 3.379 5.272 1.00 2.63 C ATOM 2132 CD2 TRP A1187 -9.316 2.258 4.514 1.00 1.50 C ATOM 2133 NE1 TRP A1187 -11.023 2.169 5.928 1.00 2.60 N ATOM 2134 CE2 TRP A1187 -9.957 1.425 5.480 1.00 1.67 C ATOM 2135 CE3 TRP A1187 -8.184 1.727 3.857 1.00 2.33 C ATOM 2136 CZ2 TRP A1187 -9.488 0.147 5.802 1.00 1.61 C ATOM 2137 CZ3 TRP A1187 -7.716 0.434 4.158 1.00 2.84 C ATOM 2138 CH2 TRP A1187 -8.365 -0.351 5.127 1.00 2.16 C ATOM 0 H TRP A1187 -10.199 6.660 2.189 1.00 1.30 H new ATOM 0 HA TRP A1187 -10.775 6.092 4.862 1.00 1.32 H new ATOM 0 HB2 TRP A1187 -10.508 4.635 2.702 1.00 1.67 H new ATOM 0 HB3 TRP A1187 -8.806 4.587 3.117 1.00 1.67 H new ATOM 0 HD1 TRP A1187 -11.897 4.106 5.409 1.00 2.63 H new ATOM 0 HE1 TRP A1187 -11.669 1.864 6.656 1.00 2.60 H new ATOM 0 HE3 TRP A1187 -7.671 2.320 3.115 1.00 2.33 H new ATOM 0 HZ2 TRP A1187 -9.983 -0.446 6.557 1.00 1.61 H new ATOM 0 HZ3 TRP A1187 -6.852 0.042 3.641 1.00 2.84 H new ATOM 0 HH2 TRP A1187 -7.997 -1.341 5.352 1.00 2.16 H new ATOM 2149 N MET A1188 -7.647 7.012 4.510 1.00 0.83 N ATOM 2150 CA MET A1188 -6.515 7.562 5.283 1.00 0.92 C ATOM 2151 C MET A1188 -6.885 8.786 6.137 1.00 0.91 C ATOM 2152 O MET A1188 -6.393 8.910 7.254 1.00 1.10 O ATOM 2153 CB MET A1188 -5.348 7.901 4.341 1.00 1.21 C ATOM 2154 CG MET A1188 -4.435 6.693 4.151 1.00 1.69 C ATOM 2155 SD MET A1188 -5.194 5.266 3.342 1.00 2.03 S ATOM 2156 CE MET A1188 -3.850 4.103 3.639 1.00 0.92 C ATOM 0 H MET A1188 -7.547 7.135 3.502 1.00 0.83 H new ATOM 0 HA MET A1188 -6.215 6.784 5.985 1.00 0.92 H new ATOM 0 HB2 MET A1188 -5.737 8.224 3.375 1.00 1.21 H new ATOM 0 HB3 MET A1188 -4.776 8.734 4.749 1.00 1.21 H new ATOM 0 HG2 MET A1188 -3.569 7.002 3.566 1.00 1.69 H new ATOM 0 HG3 MET A1188 -4.065 6.381 5.128 1.00 1.69 H new ATOM 0 HE1 MET A1188 -3.958 3.245 2.975 1.00 0.92 H new ATOM 0 HE2 MET A1188 -2.896 4.593 3.446 1.00 0.92 H new ATOM 0 HE3 MET A1188 -3.882 3.767 4.675 1.00 0.92 H new ATOM 2166 N ILE A1189 -7.789 9.651 5.671 1.00 0.95 N ATOM 2167 CA ILE A1189 -8.405 10.720 6.481 1.00 1.18 C ATOM 2168 C ILE A1189 -9.091 10.065 7.687 1.00 1.20 C ATOM 2169 O ILE A1189 -8.779 10.383 8.838 1.00 1.33 O ATOM 2170 CB ILE A1189 -9.306 11.684 5.669 1.00 1.44 C ATOM 2171 CG1 ILE A1189 -8.528 12.245 4.453 1.00 1.49 C ATOM 2172 CG2 ILE A1189 -9.795 12.819 6.589 1.00 1.78 C ATOM 2173 CD1 ILE A1189 -9.318 13.223 3.575 1.00 1.87 C ATOM 0 H ILE A1189 -8.123 9.633 4.707 1.00 0.95 H new ATOM 0 HA ILE A1189 -7.628 11.392 6.846 1.00 1.18 H new ATOM 0 HB ILE A1189 -10.173 11.145 5.289 1.00 1.44 H new ATOM 0 HG12 ILE A1189 -7.631 12.748 4.815 1.00 1.49 H new ATOM 0 HG13 ILE A1189 -8.198 11.410 3.835 1.00 1.49 H new ATOM 0 HG21 ILE A1189 -10.429 13.500 6.021 1.00 1.78 H new ATOM 0 HG22 ILE A1189 -10.365 12.397 7.416 1.00 1.78 H new ATOM 0 HG23 ILE A1189 -8.937 13.365 6.981 1.00 1.78 H new ATOM 0 HD11 ILE A1189 -8.690 13.561 2.751 1.00 1.87 H new ATOM 0 HD12 ILE A1189 -10.201 12.723 3.177 1.00 1.87 H new ATOM 0 HD13 ILE A1189 -9.625 14.081 4.172 1.00 1.87 H new ATOM 2185 N ARG A1190 -10.063 9.188 7.409 1.00 1.19 N ATOM 2186 CA ARG A1190 -10.758 8.306 8.365 1.00 1.27 C ATOM 2187 C ARG A1190 -9.848 7.513 9.327 1.00 1.15 C ATOM 2188 O ARG A1190 -10.294 7.235 10.439 1.00 1.20 O ATOM 2189 CB ARG A1190 -11.701 7.407 7.538 1.00 1.50 C ATOM 2190 CG ARG A1190 -12.603 6.462 8.341 1.00 1.79 C ATOM 2191 CD ARG A1190 -11.935 5.108 8.626 1.00 2.45 C ATOM 2192 NE ARG A1190 -12.741 4.296 9.549 1.00 3.92 N ATOM 2193 CZ ARG A1190 -12.901 4.478 10.847 1.00 5.04 C ATOM 2194 NH1 ARG A1190 -12.299 5.423 11.514 1.00 5.39 N ATOM 2195 NH2 ARG A1190 -13.700 3.685 11.493 1.00 6.42 N ATOM 0 H ARG A1190 -10.408 9.065 6.457 1.00 1.19 H new ATOM 0 HA ARG A1190 -11.318 8.927 9.064 1.00 1.27 H new ATOM 0 HB2 ARG A1190 -12.334 8.047 6.923 1.00 1.50 H new ATOM 0 HB3 ARG A1190 -11.096 6.809 6.857 1.00 1.50 H new ATOM 0 HG2 ARG A1190 -12.871 6.936 9.285 1.00 1.79 H new ATOM 0 HG3 ARG A1190 -13.530 6.297 7.792 1.00 1.79 H new ATOM 0 HD2 ARG A1190 -11.794 4.566 7.691 1.00 2.45 H new ATOM 0 HD3 ARG A1190 -10.945 5.271 9.052 1.00 2.45 H new ATOM 0 HE ARG A1190 -13.233 3.501 9.140 1.00 3.92 H new ATOM 0 HH11 ARG A1190 -11.669 6.065 11.033 1.00 5.39 H new ATOM 0 HH12 ARG A1190 -12.458 5.520 12.517 1.00 5.39 H new ATOM 0 HH21 ARG A1190 -14.189 2.940 10.998 1.00 6.42 H new ATOM 0 HH22 ARG A1190 -13.839 3.807 12.496 1.00 6.42 H new ATOM 2209 N ASN A1191 -8.593 7.194 8.981 1.00 1.04 N ATOM 2210 CA ASN A1191 -7.594 6.619 9.911 1.00 1.00 C ATOM 2211 C ASN A1191 -6.937 7.696 10.818 1.00 0.99 C ATOM 2212 O ASN A1191 -5.868 7.490 11.388 1.00 1.04 O ATOM 2213 CB ASN A1191 -6.545 5.764 9.151 1.00 0.95 C ATOM 2214 CG ASN A1191 -5.923 4.683 10.020 1.00 0.96 C ATOM 2215 OD1 ASN A1191 -6.321 3.533 10.034 1.00 0.96 O ATOM 2216 ND2 ASN A1191 -4.935 5.026 10.799 1.00 1.07 N ATOM 0 H ASN A1191 -8.232 7.327 8.036 1.00 1.04 H new ATOM 0 HA ASN A1191 -8.129 5.950 10.585 1.00 1.00 H new ATOM 0 HB2 ASN A1191 -7.019 5.300 8.286 1.00 0.95 H new ATOM 0 HB3 ASN A1191 -5.758 6.416 8.772 1.00 0.95 H new ATOM 0 HD21 ASN A1191 -4.504 4.333 11.411 1.00 1.07 H new ATOM 0 HD22 ASN A1191 -4.593 5.987 10.796 1.00 1.07 H new ATOM 2223 N GLY A1192 -7.523 8.889 10.920 1.00 0.98 N ATOM 2224 CA GLY A1192 -7.014 9.984 11.743 1.00 1.02 C ATOM 2225 C GLY A1192 -5.693 10.611 11.287 1.00 1.00 C ATOM 2226 O GLY A1192 -5.060 11.295 12.097 1.00 1.22 O ATOM 0 H GLY A1192 -8.382 9.125 10.423 1.00 0.98 H new ATOM 0 HA2 GLY A1192 -7.771 10.767 11.779 1.00 1.02 H new ATOM 0 HA3 GLY A1192 -6.886 9.617 12.761 1.00 1.02 H new ATOM 2230 N LEU A1193 -5.251 10.381 10.045 1.00 0.82 N ATOM 2231 CA LEU A1193 -3.972 10.886 9.525 1.00 0.77 C ATOM 2232 C LEU A1193 -4.097 12.325 8.990 1.00 0.80 C ATOM 2233 O LEU A1193 -5.196 12.877 8.869 1.00 0.94 O ATOM 2234 CB LEU A1193 -3.417 9.954 8.424 1.00 0.71 C ATOM 2235 CG LEU A1193 -3.555 8.441 8.658 1.00 0.67 C ATOM 2236 CD1 LEU A1193 -2.950 7.663 7.492 1.00 0.64 C ATOM 2237 CD2 LEU A1193 -2.903 7.904 9.921 1.00 0.69 C ATOM 0 H LEU A1193 -5.776 9.833 9.364 1.00 0.82 H new ATOM 0 HA LEU A1193 -3.272 10.901 10.360 1.00 0.77 H new ATOM 0 HB2 LEU A1193 -3.918 10.199 7.488 1.00 0.71 H new ATOM 0 HB3 LEU A1193 -2.360 10.181 8.289 1.00 0.71 H new ATOM 0 HG LEU A1193 -4.631 8.298 8.758 1.00 0.67 H new ATOM 0 HD11 LEU A1193 -3.056 6.594 7.674 1.00 0.64 H new ATOM 0 HD12 LEU A1193 -3.468 7.927 6.570 1.00 0.64 H new ATOM 0 HD13 LEU A1193 -1.893 7.912 7.398 1.00 0.64 H new ATOM 0 HD21 LEU A1193 -3.063 6.828 9.984 1.00 0.69 H new ATOM 0 HD22 LEU A1193 -1.833 8.111 9.894 1.00 0.69 H new ATOM 0 HD23 LEU A1193 -3.345 8.388 10.792 1.00 0.69 H new ATOM 2249 N VAL A1194 -2.961 12.911 8.607 1.00 0.78 N ATOM 2250 CA VAL A1194 -2.882 14.184 7.871 1.00 0.86 C ATOM 2251 C VAL A1194 -2.273 13.933 6.490 1.00 0.71 C ATOM 2252 O VAL A1194 -1.222 13.297 6.385 1.00 0.65 O ATOM 2253 CB VAL A1194 -2.089 15.238 8.672 1.00 1.06 C ATOM 2254 CG1 VAL A1194 -1.918 16.555 7.901 1.00 1.15 C ATOM 2255 CG2 VAL A1194 -2.797 15.565 9.994 1.00 1.36 C ATOM 0 H VAL A1194 -2.045 12.507 8.803 1.00 0.78 H new ATOM 0 HA VAL A1194 -3.885 14.588 7.735 1.00 0.86 H new ATOM 0 HB VAL A1194 -1.108 14.798 8.853 1.00 1.06 H new ATOM 0 HG11 VAL A1194 -1.353 17.262 8.509 1.00 1.15 H new ATOM 0 HG12 VAL A1194 -1.381 16.365 6.972 1.00 1.15 H new ATOM 0 HG13 VAL A1194 -2.898 16.974 7.674 1.00 1.15 H new ATOM 0 HG21 VAL A1194 -2.220 16.310 10.541 1.00 1.36 H new ATOM 0 HG22 VAL A1194 -3.792 15.958 9.786 1.00 1.36 H new ATOM 0 HG23 VAL A1194 -2.883 14.659 10.595 1.00 1.36 H new ATOM 2265 N ILE A1195 -2.906 14.444 5.431 1.00 0.80 N ATOM 2266 CA ILE A1195 -2.394 14.417 4.050 1.00 0.77 C ATOM 2267 C ILE A1195 -1.969 15.827 3.620 1.00 0.82 C ATOM 2268 O ILE A1195 -2.738 16.778 3.747 1.00 1.06 O ATOM 2269 CB ILE A1195 -3.397 13.733 3.086 1.00 0.92 C ATOM 2270 CG1 ILE A1195 -2.768 13.579 1.686 1.00 0.97 C ATOM 2271 CG2 ILE A1195 -4.750 14.451 2.986 1.00 1.04 C ATOM 2272 CD1 ILE A1195 -3.590 12.742 0.695 1.00 1.21 C ATOM 0 H ILE A1195 -3.814 14.902 5.508 1.00 0.80 H new ATOM 0 HA ILE A1195 -1.498 13.798 4.006 1.00 0.77 H new ATOM 0 HB ILE A1195 -3.607 12.752 3.512 1.00 0.92 H new ATOM 0 HG12 ILE A1195 -2.615 14.571 1.261 1.00 0.97 H new ATOM 0 HG13 ILE A1195 -1.784 13.124 1.794 1.00 0.97 H new ATOM 0 HG21 ILE A1195 -5.397 13.913 2.293 1.00 1.04 H new ATOM 0 HG22 ILE A1195 -5.218 14.483 3.970 1.00 1.04 H new ATOM 0 HG23 ILE A1195 -4.597 15.468 2.624 1.00 1.04 H new ATOM 0 HD11 ILE A1195 -3.067 12.691 -0.260 1.00 1.21 H new ATOM 0 HD12 ILE A1195 -3.722 11.735 1.091 1.00 1.21 H new ATOM 0 HD13 ILE A1195 -4.566 13.205 0.550 1.00 1.21 H new ATOM 2284 N ASN A1196 -0.738 15.976 3.120 1.00 0.87 N ATOM 2285 CA ASN A1196 -0.172 17.274 2.728 1.00 0.97 C ATOM 2286 C ASN A1196 -0.452 17.664 1.257 1.00 1.00 C ATOM 2287 O ASN A1196 -0.711 16.815 0.400 1.00 1.01 O ATOM 2288 CB ASN A1196 1.292 17.420 3.176 1.00 1.10 C ATOM 2289 CG ASN A1196 2.156 16.514 2.364 1.00 2.28 C ATOM 2290 OD1 ASN A1196 2.145 15.261 2.712 1.00 3.84 O flip ATOM 2291 ND2 ASN A1196 2.684 16.861 1.316 1.00 2.32 N flip ATOM 0 H ASN A1196 -0.100 15.194 2.974 1.00 0.87 H new ATOM 0 HA ASN A1196 -0.719 18.035 3.285 1.00 0.97 H new ATOM 0 HB2 ASN A1196 1.618 18.453 3.057 1.00 1.10 H new ATOM 0 HB3 ASN A1196 1.385 17.176 4.234 1.00 1.10 H new ATOM 0 HD21 ASN A1196 2.689 17.845 1.049 1.00 2.32 H new ATOM 0 HD22 ASN A1196 3.119 16.166 0.709 1.00 2.32 H new ATOM 2298 N ASN A1197 -0.376 18.964 0.960 1.00 1.10 N ATOM 2299 CA ASN A1197 -0.805 19.564 -0.312 1.00 1.15 C ATOM 2300 C ASN A1197 -0.020 19.064 -1.551 1.00 1.06 C ATOM 2301 O ASN A1197 -0.500 19.120 -2.685 1.00 1.15 O ATOM 2302 CB ASN A1197 -0.640 21.082 -0.128 1.00 1.41 C ATOM 2303 CG ASN A1197 -1.342 21.933 -1.154 1.00 2.12 C ATOM 2304 OD1 ASN A1197 -2.366 21.588 -1.725 1.00 2.71 O ATOM 2305 ND2 ASN A1197 -0.881 23.144 -1.303 1.00 2.60 N ATOM 0 H ASN A1197 -0.004 19.651 1.616 1.00 1.10 H new ATOM 0 HA ASN A1197 -1.834 19.273 -0.522 1.00 1.15 H new ATOM 0 HB2 ASN A1197 -1.010 21.354 0.861 1.00 1.41 H new ATOM 0 HB3 ASN A1197 0.423 21.321 -0.148 1.00 1.41 H new ATOM 0 HD21 ASN A1197 -1.376 23.808 -1.898 1.00 2.60 H new ATOM 0 HD22 ASN A1197 -0.026 23.427 -0.824 1.00 2.60 H new ATOM 2312 N ASP A1198 1.203 18.572 -1.353 1.00 1.00 N ATOM 2313 CA ASP A1198 2.103 18.145 -2.431 1.00 0.98 C ATOM 2314 C ASP A1198 1.715 16.788 -3.030 1.00 0.83 C ATOM 2315 O ASP A1198 1.682 16.598 -4.247 1.00 0.84 O ATOM 2316 CB ASP A1198 3.512 18.070 -1.843 1.00 1.08 C ATOM 2317 CG ASP A1198 4.581 18.257 -2.914 1.00 2.15 C ATOM 2318 OD1 ASP A1198 4.697 19.381 -3.461 1.00 2.46 O ATOM 2319 OD2 ASP A1198 5.294 17.272 -3.216 1.00 3.80 O ATOM 0 H ASP A1198 1.606 18.456 -0.423 1.00 1.00 H new ATOM 0 HA ASP A1198 2.041 18.865 -3.247 1.00 0.98 H new ATOM 0 HB2 ASP A1198 3.627 18.836 -1.076 1.00 1.08 H new ATOM 0 HB3 ASP A1198 3.651 17.106 -1.354 1.00 1.08 H new ATOM 2324 N VAL A1199 1.377 15.855 -2.140 1.00 0.76 N ATOM 2325 CA VAL A1199 0.854 14.527 -2.464 1.00 0.68 C ATOM 2326 C VAL A1199 -0.612 14.606 -2.898 1.00 0.68 C ATOM 2327 O VAL A1199 -0.999 13.835 -3.768 1.00 0.63 O ATOM 2328 CB VAL A1199 1.136 13.541 -1.313 1.00 0.72 C ATOM 2329 CG1 VAL A1199 0.671 14.059 0.047 1.00 0.98 C ATOM 2330 CG2 VAL A1199 0.529 12.161 -1.562 1.00 0.70 C ATOM 0 H VAL A1199 1.463 16.009 -1.135 1.00 0.76 H new ATOM 0 HA VAL A1199 1.381 14.124 -3.329 1.00 0.68 H new ATOM 0 HB VAL A1199 2.222 13.448 -1.289 1.00 0.72 H new ATOM 0 HG11 VAL A1199 0.898 13.319 0.815 1.00 0.98 H new ATOM 0 HG12 VAL A1199 1.187 14.991 0.277 1.00 0.98 H new ATOM 0 HG13 VAL A1199 -0.404 14.236 0.021 1.00 0.98 H new ATOM 0 HG21 VAL A1199 0.757 11.506 -0.721 1.00 0.70 H new ATOM 0 HG22 VAL A1199 -0.552 12.253 -1.667 1.00 0.70 H new ATOM 0 HG23 VAL A1199 0.948 11.739 -2.475 1.00 0.70 H new ATOM 2340 N ASN A1200 -1.413 15.558 -2.389 1.00 0.79 N ATOM 2341 CA ASN A1200 -2.750 15.846 -2.940 1.00 0.92 C ATOM 2342 C ASN A1200 -2.684 16.103 -4.457 1.00 0.83 C ATOM 2343 O ASN A1200 -3.413 15.464 -5.216 1.00 0.80 O ATOM 2344 CB ASN A1200 -3.384 17.043 -2.210 1.00 1.24 C ATOM 2345 CG ASN A1200 -4.501 17.691 -3.023 1.00 2.06 C ATOM 2346 OD1 ASN A1200 -4.298 18.677 -3.722 1.00 3.82 O ATOM 2347 ND2 ASN A1200 -5.686 17.138 -3.007 1.00 1.53 N ATOM 0 H ASN A1200 -1.157 16.143 -1.594 1.00 0.79 H new ATOM 0 HA ASN A1200 -3.378 14.970 -2.780 1.00 0.92 H new ATOM 0 HB2 ASN A1200 -3.781 16.712 -1.250 1.00 1.24 H new ATOM 0 HB3 ASN A1200 -2.615 17.785 -1.997 1.00 1.24 H new ATOM 0 HD21 ASN A1200 -6.438 17.527 -3.575 1.00 1.53 H new ATOM 0 HD22 ASN A1200 -5.858 16.317 -2.426 1.00 1.53 H new ATOM 2354 N ASP A1201 -1.782 16.993 -4.891 1.00 0.84 N ATOM 2355 CA ASP A1201 -1.619 17.327 -6.310 1.00 0.81 C ATOM 2356 C ASP A1201 -1.329 16.085 -7.170 1.00 0.63 C ATOM 2357 O ASP A1201 -1.962 15.909 -8.210 1.00 0.63 O ATOM 2358 CB ASP A1201 -0.511 18.377 -6.467 1.00 0.97 C ATOM 2359 CG ASP A1201 -0.277 18.718 -7.939 1.00 1.07 C ATOM 2360 OD1 ASP A1201 -1.087 19.463 -8.533 1.00 1.69 O ATOM 2361 OD2 ASP A1201 0.701 18.231 -8.545 1.00 2.17 O ATOM 0 H ASP A1201 -1.149 17.499 -4.272 1.00 0.84 H new ATOM 0 HA ASP A1201 -2.561 17.740 -6.671 1.00 0.81 H new ATOM 0 HB2 ASP A1201 -0.782 19.280 -5.920 1.00 0.97 H new ATOM 0 HB3 ASP A1201 0.413 18.003 -6.026 1.00 0.97 H new ATOM 2366 N PHE A1202 -0.429 15.208 -6.717 1.00 0.57 N ATOM 2367 CA PHE A1202 -0.075 13.962 -7.407 1.00 0.53 C ATOM 2368 C PHE A1202 -1.184 12.888 -7.353 1.00 0.48 C ATOM 2369 O PHE A1202 -1.408 12.168 -8.325 1.00 0.53 O ATOM 2370 CB PHE A1202 1.242 13.453 -6.810 1.00 0.67 C ATOM 2371 CG PHE A1202 1.796 12.215 -7.489 1.00 0.68 C ATOM 2372 CD1 PHE A1202 2.157 12.248 -8.849 1.00 2.09 C ATOM 2373 CD2 PHE A1202 1.939 11.023 -6.758 1.00 1.67 C ATOM 2374 CE1 PHE A1202 2.666 11.094 -9.470 1.00 2.24 C ATOM 2375 CE2 PHE A1202 2.430 9.861 -7.383 1.00 1.70 C ATOM 2376 CZ PHE A1202 2.793 9.898 -8.742 1.00 1.09 C ATOM 0 H PHE A1202 0.083 15.345 -5.846 1.00 0.57 H new ATOM 0 HA PHE A1202 0.044 14.174 -8.470 1.00 0.53 H new ATOM 0 HB2 PHE A1202 1.985 14.248 -6.867 1.00 0.67 H new ATOM 0 HB3 PHE A1202 1.089 13.236 -5.753 1.00 0.67 H new ATOM 0 HD1 PHE A1202 2.043 13.160 -9.416 1.00 2.09 H new ATOM 0 HD2 PHE A1202 1.671 10.998 -5.712 1.00 1.67 H new ATOM 0 HE1 PHE A1202 2.960 11.126 -10.509 1.00 2.24 H new ATOM 0 HE2 PHE A1202 2.528 8.944 -6.821 1.00 1.70 H new ATOM 0 HZ PHE A1202 3.169 9.008 -9.225 1.00 1.09 H new ATOM 2386 N MET A1203 -1.913 12.801 -6.235 1.00 0.50 N ATOM 2387 CA MET A1203 -3.021 11.860 -6.017 1.00 0.56 C ATOM 2388 C MET A1203 -4.172 12.126 -6.997 1.00 0.58 C ATOM 2389 O MET A1203 -4.599 11.217 -7.710 1.00 0.67 O ATOM 2390 CB MET A1203 -3.467 11.980 -4.547 1.00 0.68 C ATOM 2391 CG MET A1203 -4.572 11.013 -4.101 1.00 0.84 C ATOM 2392 SD MET A1203 -4.202 9.234 -4.100 1.00 0.78 S ATOM 2393 CE MET A1203 -2.605 9.145 -3.241 1.00 0.58 C ATOM 0 H MET A1203 -1.744 13.403 -5.429 1.00 0.50 H new ATOM 0 HA MET A1203 -2.694 10.838 -6.209 1.00 0.56 H new ATOM 0 HB2 MET A1203 -2.596 11.825 -3.910 1.00 0.68 H new ATOM 0 HB3 MET A1203 -3.812 13.000 -4.374 1.00 0.68 H new ATOM 0 HG2 MET A1203 -4.872 11.292 -3.091 1.00 0.84 H new ATOM 0 HG3 MET A1203 -5.436 11.174 -4.746 1.00 0.84 H new ATOM 0 HE1 MET A1203 -2.457 8.137 -2.852 1.00 0.58 H new ATOM 0 HE2 MET A1203 -1.803 9.387 -3.938 1.00 0.58 H new ATOM 0 HE3 MET A1203 -2.596 9.857 -2.416 1.00 0.58 H new ATOM 2403 N THR A1204 -4.630 13.381 -7.096 1.00 0.58 N ATOM 2404 CA THR A1204 -5.667 13.765 -8.071 1.00 0.64 C ATOM 2405 C THR A1204 -5.135 13.727 -9.511 1.00 0.63 C ATOM 2406 O THR A1204 -5.850 13.319 -10.420 1.00 0.70 O ATOM 2407 CB THR A1204 -6.302 15.118 -7.694 1.00 0.76 C ATOM 2408 OG1 THR A1204 -7.505 15.318 -8.399 1.00 0.91 O ATOM 2409 CG2 THR A1204 -5.420 16.330 -7.987 1.00 0.76 C ATOM 0 H THR A1204 -4.300 14.151 -6.513 1.00 0.58 H new ATOM 0 HA THR A1204 -6.465 13.024 -8.031 1.00 0.64 H new ATOM 0 HB THR A1204 -6.458 15.052 -6.617 1.00 0.76 H new ATOM 0 HG1 THR A1204 -8.113 15.866 -7.860 1.00 0.91 H new ATOM 0 HG21 THR A1204 -5.942 17.240 -7.692 1.00 0.76 H new ATOM 0 HG22 THR A1204 -4.490 16.247 -7.425 1.00 0.76 H new ATOM 0 HG23 THR A1204 -5.198 16.369 -9.053 1.00 0.76 H new ATOM 2417 N GLU A1205 -3.854 14.041 -9.737 1.00 0.62 N ATOM 2418 CA GLU A1205 -3.198 13.959 -11.053 1.00 0.70 C ATOM 2419 C GLU A1205 -3.219 12.543 -11.643 1.00 0.73 C ATOM 2420 O GLU A1205 -3.592 12.364 -12.805 1.00 0.83 O ATOM 2421 CB GLU A1205 -1.770 14.495 -10.904 1.00 0.74 C ATOM 2422 CG GLU A1205 -0.836 14.357 -12.105 1.00 0.93 C ATOM 2423 CD GLU A1205 0.360 15.320 -12.002 1.00 2.50 C ATOM 2424 OE1 GLU A1205 1.283 15.091 -11.184 1.00 4.12 O ATOM 2425 OE2 GLU A1205 0.383 16.322 -12.762 1.00 2.92 O ATOM 0 H GLU A1205 -3.230 14.366 -8.998 1.00 0.62 H new ATOM 0 HA GLU A1205 -3.754 14.568 -11.766 1.00 0.70 H new ATOM 0 HB2 GLU A1205 -1.833 15.552 -10.646 1.00 0.74 H new ATOM 0 HB3 GLU A1205 -1.307 13.988 -10.058 1.00 0.74 H new ATOM 0 HG2 GLU A1205 -0.474 13.331 -12.170 1.00 0.93 H new ATOM 0 HG3 GLU A1205 -1.389 14.558 -13.022 1.00 0.93 H new ATOM 2432 N HIS A1206 -2.873 11.532 -10.846 1.00 0.70 N ATOM 2433 CA HIS A1206 -2.980 10.124 -11.263 1.00 0.75 C ATOM 2434 C HIS A1206 -4.421 9.605 -11.367 1.00 0.76 C ATOM 2435 O HIS A1206 -4.740 8.884 -12.316 1.00 0.84 O ATOM 2436 CB HIS A1206 -2.076 9.220 -10.410 1.00 0.80 C ATOM 2437 CG HIS A1206 -0.745 9.005 -11.085 1.00 1.11 C ATOM 2438 ND1 HIS A1206 -0.332 7.857 -11.722 1.00 1.77 N ATOM 2439 CD2 HIS A1206 0.201 9.964 -11.329 1.00 1.52 C ATOM 2440 CE1 HIS A1206 0.840 8.110 -12.325 1.00 2.19 C ATOM 2441 NE2 HIS A1206 1.194 9.394 -12.138 1.00 2.14 N ATOM 0 H HIS A1206 -2.513 11.658 -9.900 1.00 0.70 H new ATOM 0 HA HIS A1206 -2.611 10.084 -12.288 1.00 0.75 H new ATOM 0 HB2 HIS A1206 -1.923 9.672 -9.430 1.00 0.80 H new ATOM 0 HB3 HIS A1206 -2.565 8.260 -10.246 1.00 0.80 H new ATOM 0 HD1 HIS A1206 -0.831 6.967 -11.734 1.00 1.77 H new ATOM 0 HD2 HIS A1206 0.185 10.980 -10.963 1.00 1.52 H new ATOM 0 HE1 HIS A1206 1.417 7.386 -12.881 1.00 2.19 H new ATOM 2449 N GLU A1207 -5.327 10.017 -10.480 1.00 0.72 N ATOM 2450 CA GLU A1207 -6.750 9.682 -10.616 1.00 0.77 C ATOM 2451 C GLU A1207 -7.367 10.267 -11.906 1.00 0.85 C ATOM 2452 O GLU A1207 -8.155 9.580 -12.567 1.00 0.96 O ATOM 2453 CB GLU A1207 -7.498 10.140 -9.358 1.00 0.79 C ATOM 2454 CG GLU A1207 -7.318 9.182 -8.180 1.00 1.02 C ATOM 2455 CD GLU A1207 -8.142 7.888 -8.283 1.00 2.03 C ATOM 2456 OE1 GLU A1207 -9.346 7.938 -8.634 1.00 2.37 O ATOM 2457 OE2 GLU A1207 -7.640 6.789 -7.955 1.00 3.69 O ATOM 0 H GLU A1207 -5.104 10.582 -9.660 1.00 0.72 H new ATOM 0 HA GLU A1207 -6.848 8.600 -10.709 1.00 0.77 H new ATOM 0 HB2 GLU A1207 -7.145 11.131 -9.072 1.00 0.79 H new ATOM 0 HB3 GLU A1207 -8.560 10.233 -9.586 1.00 0.79 H new ATOM 0 HG2 GLU A1207 -6.263 8.921 -8.097 1.00 1.02 H new ATOM 0 HG3 GLU A1207 -7.591 9.700 -7.261 1.00 1.02 H new ATOM 2464 N ARG A1208 -6.974 11.484 -12.317 1.00 0.85 N ATOM 2465 CA ARG A1208 -7.389 12.165 -13.567 1.00 0.98 C ATOM 2466 C ARG A1208 -6.777 11.589 -14.853 1.00 1.07 C ATOM 2467 O ARG A1208 -7.406 11.688 -15.910 1.00 1.18 O ATOM 2468 CB ARG A1208 -7.085 13.669 -13.458 1.00 1.00 C ATOM 2469 CG ARG A1208 -8.006 14.382 -12.453 1.00 1.18 C ATOM 2470 CD ARG A1208 -7.464 15.778 -12.123 1.00 1.28 C ATOM 2471 NE ARG A1208 -8.153 16.355 -10.958 1.00 2.07 N ATOM 2472 CZ ARG A1208 -9.110 17.259 -10.926 1.00 2.63 C ATOM 2473 NH1 ARG A1208 -9.643 17.756 -12.004 1.00 2.98 N ATOM 2474 NH2 ARG A1208 -9.566 17.666 -9.778 1.00 3.77 N ATOM 0 H ARG A1208 -6.329 12.050 -11.766 1.00 0.85 H new ATOM 0 HA ARG A1208 -8.461 11.989 -13.661 1.00 0.98 H new ATOM 0 HB2 ARG A1208 -6.047 13.806 -13.156 1.00 1.00 H new ATOM 0 HB3 ARG A1208 -7.195 14.131 -14.439 1.00 1.00 H new ATOM 0 HG2 ARG A1208 -9.011 14.464 -12.867 1.00 1.18 H new ATOM 0 HG3 ARG A1208 -8.085 13.791 -11.540 1.00 1.18 H new ATOM 0 HD2 ARG A1208 -6.394 15.718 -11.923 1.00 1.28 H new ATOM 0 HD3 ARG A1208 -7.591 16.433 -12.985 1.00 1.28 H new ATOM 0 HE ARG A1208 -7.847 16.007 -10.049 1.00 2.07 H new ATOM 0 HH11 ARG A1208 -9.321 17.447 -12.921 1.00 2.98 H new ATOM 0 HH12 ARG A1208 -10.383 18.455 -11.932 1.00 2.98 H new ATOM 0 HH21 ARG A1208 -9.182 17.285 -8.913 1.00 3.77 H new ATOM 0 HH22 ARG A1208 -10.307 18.366 -9.743 1.00 3.77 H new ATOM 2488 N LYS A1209 -5.617 10.921 -14.781 1.00 1.04 N ATOM 2489 CA LYS A1209 -5.020 10.139 -15.899 1.00 1.15 C ATOM 2490 C LYS A1209 -5.832 8.897 -16.301 1.00 1.14 C ATOM 2491 O LYS A1209 -5.478 8.210 -17.255 1.00 1.27 O ATOM 2492 CB LYS A1209 -3.611 9.676 -15.514 1.00 1.30 C ATOM 2493 CG LYS A1209 -2.530 10.743 -15.609 1.00 1.32 C ATOM 2494 CD LYS A1209 -1.257 10.171 -15.006 1.00 1.52 C ATOM 2495 CE LYS A1209 -0.013 10.941 -15.455 1.00 1.60 C ATOM 2496 NZ LYS A1209 1.226 10.361 -14.893 1.00 3.43 N ATOM 0 H LYS A1209 -5.049 10.902 -13.934 1.00 1.04 H new ATOM 0 HA LYS A1209 -5.009 10.815 -16.754 1.00 1.15 H new ATOM 0 HB2 LYS A1209 -3.637 9.298 -14.492 1.00 1.30 H new ATOM 0 HB3 LYS A1209 -3.332 8.841 -16.156 1.00 1.30 H new ATOM 0 HG2 LYS A1209 -2.366 11.029 -16.648 1.00 1.32 H new ATOM 0 HG3 LYS A1209 -2.834 11.643 -15.075 1.00 1.32 H new ATOM 0 HD2 LYS A1209 -1.327 10.198 -13.919 1.00 1.52 H new ATOM 0 HD3 LYS A1209 -1.159 9.124 -15.293 1.00 1.52 H new ATOM 0 HE2 LYS A1209 0.044 10.935 -16.543 1.00 1.60 H new ATOM 0 HE3 LYS A1209 -0.099 11.983 -15.146 1.00 1.60 H new ATOM 0 HZ1 LYS A1209 2.024 11.002 -15.078 1.00 3.43 H new ATOM 0 HZ2 LYS A1209 1.115 10.233 -13.867 1.00 3.43 H new ATOM 0 HZ3 LYS A1209 1.411 9.440 -15.339 1.00 3.43 H new ATOM 2510 N GLY A1210 -6.871 8.585 -15.536 1.00 1.08 N ATOM 2511 CA GLY A1210 -7.779 7.446 -15.739 1.00 1.15 C ATOM 2512 C GLY A1210 -7.353 6.195 -14.970 1.00 1.03 C ATOM 2513 O GLY A1210 -7.739 5.077 -15.323 1.00 1.17 O ATOM 0 H GLY A1210 -7.121 9.140 -14.718 1.00 1.08 H new ATOM 0 HA2 GLY A1210 -8.784 7.731 -15.429 1.00 1.15 H new ATOM 0 HA3 GLY A1210 -7.827 7.213 -16.803 1.00 1.15 H new ATOM 2517 N ARG A1211 -6.522 6.372 -13.938 1.00 0.95 N ATOM 2518 CA ARG A1211 -5.807 5.306 -13.226 1.00 0.89 C ATOM 2519 C ARG A1211 -6.204 5.239 -11.736 1.00 0.81 C ATOM 2520 O ARG A1211 -7.033 6.027 -11.274 1.00 1.14 O ATOM 2521 CB ARG A1211 -4.295 5.516 -13.472 1.00 1.01 C ATOM 2522 CG ARG A1211 -3.843 5.809 -14.917 1.00 1.40 C ATOM 2523 CD ARG A1211 -4.278 4.711 -15.893 1.00 1.51 C ATOM 2524 NE ARG A1211 -3.596 4.795 -17.192 1.00 1.78 N ATOM 2525 CZ ARG A1211 -3.870 4.074 -18.262 1.00 2.37 C ATOM 2526 NH1 ARG A1211 -4.815 3.182 -18.315 1.00 3.29 N ATOM 2527 NH2 ARG A1211 -3.173 4.237 -19.341 1.00 2.80 N ATOM 0 H ARG A1211 -6.321 7.298 -13.560 1.00 0.95 H new ATOM 0 HA ARG A1211 -6.087 4.325 -13.611 1.00 0.89 H new ATOM 0 HB2 ARG A1211 -3.963 6.341 -12.842 1.00 1.01 H new ATOM 0 HB3 ARG A1211 -3.771 4.623 -13.130 1.00 1.01 H new ATOM 0 HG2 ARG A1211 -4.258 6.764 -15.239 1.00 1.40 H new ATOM 0 HG3 ARG A1211 -2.758 5.907 -14.944 1.00 1.40 H new ATOM 0 HD2 ARG A1211 -4.080 3.736 -15.447 1.00 1.51 H new ATOM 0 HD3 ARG A1211 -5.355 4.777 -16.049 1.00 1.51 H new ATOM 0 HE ARG A1211 -2.840 5.475 -17.274 1.00 1.78 H new ATOM 0 HH11 ARG A1211 -5.397 3.006 -17.496 1.00 3.29 H new ATOM 0 HH12 ARG A1211 -4.974 2.658 -19.176 1.00 3.29 H new ATOM 0 HH21 ARG A1211 -2.416 4.920 -19.361 1.00 2.80 H new ATOM 0 HH22 ARG A1211 -3.381 3.682 -20.171 1.00 2.80 H new ATOM 2541 N THR A1212 -5.645 4.286 -10.988 1.00 0.69 N ATOM 2542 CA THR A1212 -5.883 4.069 -9.546 1.00 0.67 C ATOM 2543 C THR A1212 -4.733 4.660 -8.724 1.00 0.56 C ATOM 2544 O THR A1212 -3.586 4.236 -8.868 1.00 0.59 O ATOM 2545 CB THR A1212 -6.069 2.563 -9.252 1.00 0.76 C ATOM 2546 OG1 THR A1212 -7.359 2.146 -9.645 1.00 1.16 O ATOM 2547 CG2 THR A1212 -5.940 2.155 -7.782 1.00 0.91 C ATOM 0 H THR A1212 -4.986 3.613 -11.379 1.00 0.69 H new ATOM 0 HA THR A1212 -6.801 4.581 -9.257 1.00 0.67 H new ATOM 0 HB THR A1212 -5.261 2.093 -9.812 1.00 0.76 H new ATOM 0 HG1 THR A1212 -7.466 1.190 -9.456 1.00 1.16 H new ATOM 0 HG21 THR A1212 -6.088 1.079 -7.689 1.00 0.91 H new ATOM 0 HG22 THR A1212 -4.947 2.418 -7.417 1.00 0.91 H new ATOM 0 HG23 THR A1212 -6.693 2.677 -7.192 1.00 0.91 H new ATOM 2555 N ALA A1213 -5.037 5.601 -7.829 1.00 0.58 N ATOM 2556 CA ALA A1213 -4.079 6.242 -6.925 1.00 0.54 C ATOM 2557 C ALA A1213 -4.438 5.922 -5.458 1.00 0.52 C ATOM 2558 O ALA A1213 -5.543 6.244 -5.017 1.00 0.63 O ATOM 2559 CB ALA A1213 -4.096 7.750 -7.219 1.00 0.65 C ATOM 0 H ALA A1213 -5.988 5.950 -7.709 1.00 0.58 H new ATOM 0 HA ALA A1213 -3.069 5.863 -7.084 1.00 0.54 H new ATOM 0 HB1 ALA A1213 -3.391 8.257 -6.560 1.00 0.65 H new ATOM 0 HB2 ALA A1213 -3.811 7.922 -8.257 1.00 0.65 H new ATOM 0 HB3 ALA A1213 -5.098 8.143 -7.049 1.00 0.65 H new ATOM 2565 N VAL A1214 -3.542 5.272 -4.704 1.00 0.42 N ATOM 2566 CA VAL A1214 -3.823 4.797 -3.327 1.00 0.38 C ATOM 2567 C VAL A1214 -2.685 5.071 -2.346 1.00 0.38 C ATOM 2568 O VAL A1214 -1.521 5.151 -2.732 1.00 0.42 O ATOM 2569 CB VAL A1214 -4.211 3.303 -3.286 1.00 0.39 C ATOM 2570 CG1 VAL A1214 -5.470 3.012 -4.112 1.00 0.45 C ATOM 2571 CG2 VAL A1214 -3.097 2.366 -3.768 1.00 0.43 C ATOM 0 H VAL A1214 -2.598 5.056 -5.025 1.00 0.42 H new ATOM 0 HA VAL A1214 -4.681 5.385 -3.001 1.00 0.38 H new ATOM 0 HB VAL A1214 -4.399 3.103 -2.231 1.00 0.39 H new ATOM 0 HG11 VAL A1214 -5.705 1.949 -4.054 1.00 0.45 H new ATOM 0 HG12 VAL A1214 -6.305 3.591 -3.718 1.00 0.45 H new ATOM 0 HG13 VAL A1214 -5.295 3.289 -5.152 1.00 0.45 H new ATOM 0 HG21 VAL A1214 -3.441 1.333 -3.711 1.00 0.43 H new ATOM 0 HG22 VAL A1214 -2.840 2.607 -4.799 1.00 0.43 H new ATOM 0 HG23 VAL A1214 -2.218 2.491 -3.136 1.00 0.43 H new ATOM 2581 N LEU A1215 -3.006 5.188 -1.055 1.00 0.38 N ATOM 2582 CA LEU A1215 -2.032 5.421 0.018 1.00 0.37 C ATOM 2583 C LEU A1215 -1.744 4.153 0.850 1.00 0.36 C ATOM 2584 O LEU A1215 -2.500 3.178 0.798 1.00 0.38 O ATOM 2585 CB LEU A1215 -2.526 6.574 0.906 1.00 0.41 C ATOM 2586 CG LEU A1215 -2.572 7.956 0.227 1.00 0.49 C ATOM 2587 CD1 LEU A1215 -3.993 8.321 -0.199 1.00 0.53 C ATOM 2588 CD2 LEU A1215 -2.123 9.031 1.213 1.00 0.82 C ATOM 0 H LEU A1215 -3.967 5.123 -0.719 1.00 0.38 H new ATOM 0 HA LEU A1215 -1.082 5.695 -0.441 1.00 0.37 H new ATOM 0 HB2 LEU A1215 -3.526 6.331 1.266 1.00 0.41 H new ATOM 0 HB3 LEU A1215 -1.880 6.639 1.781 1.00 0.41 H new ATOM 0 HG LEU A1215 -1.919 7.906 -0.644 1.00 0.49 H new ATOM 0 HD11 LEU A1215 -3.990 9.302 -0.675 1.00 0.53 H new ATOM 0 HD12 LEU A1215 -4.364 7.577 -0.904 1.00 0.53 H new ATOM 0 HD13 LEU A1215 -4.641 8.345 0.677 1.00 0.53 H new ATOM 0 HD21 LEU A1215 -2.157 10.007 0.728 1.00 0.82 H new ATOM 0 HD22 LEU A1215 -2.787 9.032 2.077 1.00 0.82 H new ATOM 0 HD23 LEU A1215 -1.104 8.823 1.539 1.00 0.82 H new ATOM 2600 N VAL A1216 -0.670 4.194 1.651 1.00 0.37 N ATOM 2601 CA VAL A1216 -0.229 3.153 2.599 1.00 0.39 C ATOM 2602 C VAL A1216 0.080 3.783 3.966 1.00 0.38 C ATOM 2603 O VAL A1216 0.883 4.715 4.060 1.00 0.45 O ATOM 2604 CB VAL A1216 1.027 2.410 2.091 1.00 0.59 C ATOM 2605 CG1 VAL A1216 1.298 1.153 2.928 1.00 1.60 C ATOM 2606 CG2 VAL A1216 0.917 1.987 0.621 1.00 1.60 C ATOM 0 H VAL A1216 -0.047 5.001 1.657 1.00 0.37 H new ATOM 0 HA VAL A1216 -1.041 2.432 2.692 1.00 0.39 H new ATOM 0 HB VAL A1216 1.847 3.121 2.189 1.00 0.59 H new ATOM 0 HG11 VAL A1216 2.187 0.649 2.550 1.00 1.60 H new ATOM 0 HG12 VAL A1216 1.456 1.436 3.969 1.00 1.60 H new ATOM 0 HG13 VAL A1216 0.443 0.480 2.861 1.00 1.60 H new ATOM 0 HG21 VAL A1216 1.829 1.470 0.322 1.00 1.60 H new ATOM 0 HG22 VAL A1216 0.064 1.319 0.497 1.00 1.60 H new ATOM 0 HG23 VAL A1216 0.780 2.870 -0.003 1.00 1.60 H new ATOM 2616 N ALA A1217 -0.536 3.272 5.033 1.00 0.37 N ATOM 2617 CA ALA A1217 -0.382 3.772 6.402 1.00 0.42 C ATOM 2618 C ALA A1217 -0.067 2.633 7.397 1.00 0.50 C ATOM 2619 O ALA A1217 -0.367 1.466 7.144 1.00 0.46 O ATOM 2620 CB ALA A1217 -1.634 4.559 6.788 1.00 0.42 C ATOM 0 H ALA A1217 -1.173 2.478 4.968 1.00 0.37 H new ATOM 0 HA ALA A1217 0.476 4.443 6.447 1.00 0.42 H new ATOM 0 HB1 ALA A1217 -1.528 4.935 7.806 1.00 0.42 H new ATOM 0 HB2 ALA A1217 -1.762 5.397 6.103 1.00 0.42 H new ATOM 0 HB3 ALA A1217 -2.506 3.907 6.731 1.00 0.42 H new ATOM 2626 N VAL A1218 0.552 2.975 8.528 1.00 0.65 N ATOM 2627 CA VAL A1218 1.134 2.043 9.508 1.00 0.78 C ATOM 2628 C VAL A1218 0.974 2.558 10.945 1.00 0.96 C ATOM 2629 O VAL A1218 1.455 3.641 11.277 1.00 1.01 O ATOM 2630 CB VAL A1218 2.623 1.761 9.186 1.00 1.00 C ATOM 2631 CG1 VAL A1218 2.766 1.022 7.848 1.00 0.95 C ATOM 2632 CG2 VAL A1218 3.510 3.018 9.091 1.00 1.17 C ATOM 0 H VAL A1218 0.669 3.950 8.802 1.00 0.65 H new ATOM 0 HA VAL A1218 0.584 1.105 9.433 1.00 0.78 H new ATOM 0 HB VAL A1218 2.963 1.161 10.030 1.00 1.00 H new ATOM 0 HG11 VAL A1218 3.821 0.836 7.646 1.00 0.95 H new ATOM 0 HG12 VAL A1218 2.234 0.072 7.898 1.00 0.95 H new ATOM 0 HG13 VAL A1218 2.345 1.632 7.049 1.00 0.95 H new ATOM 0 HG21 VAL A1218 4.534 2.724 8.863 1.00 1.17 H new ATOM 0 HG22 VAL A1218 3.135 3.669 8.302 1.00 1.17 H new ATOM 0 HG23 VAL A1218 3.489 3.551 10.042 1.00 1.17 H new ATOM 2642 N ASP A1219 0.289 1.804 11.809 1.00 1.11 N ATOM 2643 CA ASP A1219 0.010 2.163 13.215 1.00 1.31 C ATOM 2644 C ASP A1219 -0.455 3.633 13.393 1.00 1.32 C ATOM 2645 O ASP A1219 0.031 4.392 14.233 1.00 1.49 O ATOM 2646 CB ASP A1219 1.200 1.731 14.094 1.00 1.47 C ATOM 2647 CG ASP A1219 1.036 2.119 15.564 1.00 2.96 C ATOM 2648 OD1 ASP A1219 -0.015 1.805 16.174 1.00 4.15 O ATOM 2649 OD2 ASP A1219 1.943 2.791 16.120 1.00 3.81 O ATOM 0 H ASP A1219 -0.101 0.898 11.548 1.00 1.11 H new ATOM 0 HA ASP A1219 -0.859 1.606 13.565 1.00 1.31 H new ATOM 0 HB2 ASP A1219 1.323 0.650 14.022 1.00 1.47 H new ATOM 0 HB3 ASP A1219 2.113 2.182 13.706 1.00 1.47 H new ATOM 2654 N ASP A1220 -1.402 4.071 12.569 1.00 1.20 N ATOM 2655 CA ASP A1220 -1.885 5.456 12.495 1.00 1.14 C ATOM 2656 C ASP A1220 -0.812 6.504 12.113 1.00 0.92 C ATOM 2657 O ASP A1220 -0.751 7.591 12.687 1.00 0.82 O ATOM 2658 CB ASP A1220 -2.702 5.847 13.746 1.00 1.37 C ATOM 2659 CG ASP A1220 -3.672 4.760 14.210 1.00 1.49 C ATOM 2660 OD1 ASP A1220 -4.438 4.221 13.381 1.00 1.99 O ATOM 2661 OD2 ASP A1220 -3.674 4.427 15.420 1.00 1.98 O ATOM 0 H ASP A1220 -1.874 3.453 11.909 1.00 1.20 H new ATOM 0 HA ASP A1220 -2.568 5.474 11.646 1.00 1.14 H new ATOM 0 HB2 ASP A1220 -2.015 6.080 14.560 1.00 1.37 H new ATOM 0 HB3 ASP A1220 -3.264 6.756 13.533 1.00 1.37 H new ATOM 2666 N GLU A1221 0.053 6.203 11.143 1.00 0.87 N ATOM 2667 CA GLU A1221 1.014 7.136 10.528 1.00 0.69 C ATOM 2668 C GLU A1221 1.172 6.837 9.023 1.00 0.52 C ATOM 2669 O GLU A1221 1.206 5.677 8.625 1.00 0.53 O ATOM 2670 CB GLU A1221 2.364 7.002 11.260 1.00 0.85 C ATOM 2671 CG GLU A1221 3.504 7.883 10.733 1.00 1.05 C ATOM 2672 CD GLU A1221 3.283 9.371 11.004 1.00 1.13 C ATOM 2673 OE1 GLU A1221 2.403 9.997 10.366 1.00 2.19 O ATOM 2674 OE2 GLU A1221 4.034 9.956 11.817 1.00 1.94 O ATOM 0 H GLU A1221 0.110 5.266 10.744 1.00 0.87 H new ATOM 0 HA GLU A1221 0.649 8.159 10.622 1.00 0.69 H new ATOM 0 HB2 GLU A1221 2.208 7.235 12.313 1.00 0.85 H new ATOM 0 HB3 GLU A1221 2.682 5.961 11.207 1.00 0.85 H new ATOM 0 HG2 GLU A1221 4.441 7.570 11.195 1.00 1.05 H new ATOM 0 HG3 GLU A1221 3.610 7.727 9.660 1.00 1.05 H new ATOM 2681 N LEU A1222 1.299 7.848 8.156 1.00 0.43 N ATOM 2682 CA LEU A1222 1.615 7.616 6.734 1.00 0.39 C ATOM 2683 C LEU A1222 3.079 7.206 6.507 1.00 0.52 C ATOM 2684 O LEU A1222 3.981 7.848 7.050 1.00 0.76 O ATOM 2685 CB LEU A1222 1.252 8.858 5.889 1.00 0.45 C ATOM 2686 CG LEU A1222 0.014 8.587 5.023 1.00 0.47 C ATOM 2687 CD1 LEU A1222 -0.733 9.875 4.706 1.00 0.54 C ATOM 2688 CD2 LEU A1222 0.412 7.878 3.726 1.00 0.53 C ATOM 0 H LEU A1222 1.189 8.830 8.408 1.00 0.43 H new ATOM 0 HA LEU A1222 1.005 6.774 6.407 1.00 0.39 H new ATOM 0 HB2 LEU A1222 1.063 9.707 6.546 1.00 0.45 H new ATOM 0 HB3 LEU A1222 2.094 9.129 5.252 1.00 0.45 H new ATOM 0 HG LEU A1222 -0.653 7.939 5.592 1.00 0.47 H new ATOM 0 HD11 LEU A1222 -1.604 9.648 4.091 1.00 0.54 H new ATOM 0 HD12 LEU A1222 -1.056 10.346 5.634 1.00 0.54 H new ATOM 0 HD13 LEU A1222 -0.074 10.554 4.165 1.00 0.54 H new ATOM 0 HD21 LEU A1222 -0.478 7.694 3.124 1.00 0.53 H new ATOM 0 HD22 LEU A1222 1.105 8.506 3.166 1.00 0.53 H new ATOM 0 HD23 LEU A1222 0.893 6.929 3.963 1.00 0.53 H new ATOM 2700 N CYS A1223 3.321 6.216 5.635 1.00 0.48 N ATOM 2701 CA CYS A1223 4.665 5.844 5.160 1.00 0.52 C ATOM 2702 C CYS A1223 4.853 6.093 3.650 1.00 0.52 C ATOM 2703 O CYS A1223 5.907 6.601 3.266 1.00 0.54 O ATOM 2704 CB CYS A1223 5.013 4.390 5.542 1.00 0.56 C ATOM 2705 SG CYS A1223 3.806 3.215 4.863 1.00 0.62 S ATOM 0 H CYS A1223 2.579 5.642 5.233 1.00 0.48 H new ATOM 0 HA CYS A1223 5.369 6.502 5.670 1.00 0.52 H new ATOM 0 HB2 CYS A1223 6.009 4.144 5.173 1.00 0.56 H new ATOM 0 HB3 CYS A1223 5.043 4.295 6.627 1.00 0.56 H new ATOM 0 HG CYS A1223 2.744 3.858 4.477 1.00 0.62 H new ATOM 2711 N GLY A1224 3.860 5.793 2.799 1.00 0.52 N ATOM 2712 CA GLY A1224 3.984 5.914 1.338 1.00 0.55 C ATOM 2713 C GLY A1224 2.670 5.801 0.555 1.00 0.55 C ATOM 2714 O GLY A1224 1.584 5.786 1.131 1.00 0.55 O ATOM 0 H GLY A1224 2.946 5.459 3.105 1.00 0.52 H new ATOM 0 HA2 GLY A1224 4.443 6.875 1.108 1.00 0.55 H new ATOM 0 HA3 GLY A1224 4.666 5.142 0.983 1.00 0.55 H new ATOM 2718 N LEU A1225 2.773 5.784 -0.775 1.00 0.56 N ATOM 2719 CA LEU A1225 1.667 5.685 -1.732 1.00 0.57 C ATOM 2720 C LEU A1225 2.041 4.878 -2.993 1.00 0.57 C ATOM 2721 O LEU A1225 3.214 4.794 -3.360 1.00 0.59 O ATOM 2722 CB LEU A1225 1.132 7.090 -2.072 1.00 0.61 C ATOM 2723 CG LEU A1225 2.103 8.049 -2.792 1.00 0.64 C ATOM 2724 CD1 LEU A1225 1.273 9.146 -3.452 1.00 0.79 C ATOM 2725 CD2 LEU A1225 3.113 8.735 -1.860 1.00 0.67 C ATOM 0 H LEU A1225 3.679 5.842 -1.240 1.00 0.56 H new ATOM 0 HA LEU A1225 0.864 5.122 -1.256 1.00 0.57 H new ATOM 0 HB2 LEU A1225 0.245 6.974 -2.695 1.00 0.61 H new ATOM 0 HB3 LEU A1225 0.811 7.565 -1.145 1.00 0.61 H new ATOM 0 HG LEU A1225 2.673 7.448 -3.500 1.00 0.64 H new ATOM 0 HD11 LEU A1225 1.934 9.841 -3.970 1.00 0.79 H new ATOM 0 HD12 LEU A1225 0.583 8.699 -4.168 1.00 0.79 H new ATOM 0 HD13 LEU A1225 0.708 9.683 -2.690 1.00 0.79 H new ATOM 0 HD21 LEU A1225 3.758 9.392 -2.443 1.00 0.67 H new ATOM 0 HD22 LEU A1225 2.578 9.322 -1.113 1.00 0.67 H new ATOM 0 HD23 LEU A1225 3.720 7.979 -1.362 1.00 0.67 H new ATOM 2737 N ILE A1226 1.040 4.308 -3.667 1.00 0.55 N ATOM 2738 CA ILE A1226 1.190 3.464 -4.865 1.00 0.52 C ATOM 2739 C ILE A1226 0.251 3.946 -5.986 1.00 0.51 C ATOM 2740 O ILE A1226 -0.904 4.301 -5.744 1.00 0.52 O ATOM 2741 CB ILE A1226 0.937 1.970 -4.528 1.00 0.56 C ATOM 2742 CG1 ILE A1226 1.703 1.439 -3.288 1.00 0.64 C ATOM 2743 CG2 ILE A1226 1.254 1.072 -5.738 1.00 0.58 C ATOM 2744 CD1 ILE A1226 3.226 1.327 -3.429 1.00 0.81 C ATOM 0 H ILE A1226 0.066 4.423 -3.387 1.00 0.55 H new ATOM 0 HA ILE A1226 2.217 3.554 -5.220 1.00 0.52 H new ATOM 0 HB ILE A1226 -0.123 1.925 -4.278 1.00 0.56 H new ATOM 0 HG12 ILE A1226 1.484 2.094 -2.444 1.00 0.64 H new ATOM 0 HG13 ILE A1226 1.309 0.454 -3.038 1.00 0.64 H new ATOM 0 HG21 ILE A1226 1.069 0.030 -5.476 1.00 0.58 H new ATOM 0 HG22 ILE A1226 0.618 1.354 -6.577 1.00 0.58 H new ATOM 0 HG23 ILE A1226 2.300 1.195 -6.018 1.00 0.58 H new ATOM 0 HD11 ILE A1226 3.650 0.945 -2.500 1.00 0.81 H new ATOM 0 HD12 ILE A1226 3.467 0.646 -4.245 1.00 0.81 H new ATOM 0 HD13 ILE A1226 3.645 2.310 -3.642 1.00 0.81 H new ATOM 2756 N ALA A1227 0.746 3.914 -7.222 1.00 0.51 N ATOM 2757 CA ALA A1227 0.018 4.225 -8.448 1.00 0.51 C ATOM 2758 C ALA A1227 -0.142 2.957 -9.314 1.00 0.51 C ATOM 2759 O ALA A1227 0.824 2.229 -9.560 1.00 0.49 O ATOM 2760 CB ALA A1227 0.777 5.351 -9.160 1.00 0.57 C ATOM 0 H ALA A1227 1.716 3.657 -7.403 1.00 0.51 H new ATOM 0 HA ALA A1227 -0.995 4.567 -8.237 1.00 0.51 H new ATOM 0 HB1 ALA A1227 0.260 5.611 -10.084 1.00 0.57 H new ATOM 0 HB2 ALA A1227 0.823 6.226 -8.511 1.00 0.57 H new ATOM 0 HB3 ALA A1227 1.789 5.018 -9.392 1.00 0.57 H new ATOM 2766 N ILE A1228 -1.366 2.675 -9.765 1.00 0.59 N ATOM 2767 CA ILE A1228 -1.787 1.453 -10.476 1.00 0.62 C ATOM 2768 C ILE A1228 -2.642 1.834 -11.693 1.00 0.75 C ATOM 2769 O ILE A1228 -3.214 2.917 -11.729 1.00 0.89 O ATOM 2770 CB ILE A1228 -2.569 0.532 -9.495 1.00 0.68 C ATOM 2771 CG1 ILE A1228 -1.703 0.047 -8.309 1.00 0.83 C ATOM 2772 CG2 ILE A1228 -3.197 -0.713 -10.141 1.00 0.87 C ATOM 2773 CD1 ILE A1228 -2.044 0.800 -7.023 1.00 1.41 C ATOM 0 H ILE A1228 -2.140 3.328 -9.639 1.00 0.59 H new ATOM 0 HA ILE A1228 -0.915 0.907 -10.836 1.00 0.62 H new ATOM 0 HB ILE A1228 -3.370 1.184 -9.147 1.00 0.68 H new ATOM 0 HG12 ILE A1228 -1.856 -1.022 -8.158 1.00 0.83 H new ATOM 0 HG13 ILE A1228 -0.648 0.187 -8.546 1.00 0.83 H new ATOM 0 HG21 ILE A1228 -3.720 -1.293 -9.381 1.00 0.87 H new ATOM 0 HG22 ILE A1228 -3.903 -0.406 -10.913 1.00 0.87 H new ATOM 0 HG23 ILE A1228 -2.414 -1.325 -10.589 1.00 0.87 H new ATOM 0 HD11 ILE A1228 -1.417 0.434 -6.210 1.00 1.41 H new ATOM 0 HD12 ILE A1228 -1.866 1.866 -7.167 1.00 1.41 H new ATOM 0 HD13 ILE A1228 -3.093 0.638 -6.774 1.00 1.41 H new ATOM 2785 N ALA A1229 -2.734 0.954 -12.688 1.00 0.86 N ATOM 2786 CA ALA A1229 -3.544 1.099 -13.903 1.00 1.01 C ATOM 2787 C ALA A1229 -4.366 -0.171 -14.203 1.00 1.12 C ATOM 2788 O ALA A1229 -4.355 -1.130 -13.424 1.00 1.56 O ATOM 2789 CB ALA A1229 -2.590 1.409 -15.060 1.00 1.03 C ATOM 0 H ALA A1229 -2.220 0.073 -12.671 1.00 0.86 H new ATOM 0 HA ALA A1229 -4.264 1.906 -13.766 1.00 1.01 H new ATOM 0 HB1 ALA A1229 -3.161 1.523 -15.982 1.00 1.03 H new ATOM 0 HB2 ALA A1229 -2.051 2.333 -14.850 1.00 1.03 H new ATOM 0 HB3 ALA A1229 -1.878 0.592 -15.173 1.00 1.03 H new