USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1102 THR OG1 : rot -127:sc= 1.03 USER MOD Set 1.2: A1104 THR OG1 : rot 52:sc= 1.34 USER MOD Set 2.1: A1065 SER OG : rot 180:sc= 0.762 USER MOD Set 2.2: A1069 SER OG : rot 76:sc= 0.878 USER MOD Set 2.3: A1070 HIS : no HD1:sc= -0.175 X(o=1.5,f=1) USER MOD Set 3.1: A1057 ASN : amide:sc= 0.418 K(o=0.81,f=1.3) USER MOD Set 3.2: A1058 GLN : amide:sc= 0.39 K(o=0.81,f=1.3) USER MOD Single : A1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1063 THR OG1 : rot 180:sc= 0 USER MOD Single : A1066 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A1071 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1072 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1079 THR OG1 : rot 61:sc= 0.256 USER MOD Single : A1082 SER OG : rot -39:sc= 0.013 USER MOD Single : A1083 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.6) USER MOD Single : A1084 SER OG : rot 180:sc= 0 USER MOD Single : A1086 HIS : no HD1:sc= -0.0664 X(o=-0.066,f=-0.066) USER MOD Single : A1090 THR OG1 : rot 180:sc= 0 USER MOD Single : A1093 THR OG1 : rot -72:sc= 0.512 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 134:sc= 0.583 USER MOD Single : A1097 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1098 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.6) USER MOD Single : A1107 THR OG1 : rot 27:sc= 0.384 USER MOD Single : A1108 CYS SG : rot 180:sc= 0 USER MOD Single : A1112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1117 CYS SG : rot 180:sc= 0 USER MOD Single : A1120 SER OG : rot 180:sc= 0 USER MOD Single : A1121 CYS SG : rot 180:sc= -0.437 USER MOD Single : A1122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1124 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A1125 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A1177 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1178 TYR OH : rot 165:sc= 0 USER MOD Single : A1179 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0656) USER MOD Single : A1184 ASN : amide:sc= 0.936 K(o=0.94,f=-2.3!) USER MOD Single : A1188 MET CE :methyl 180:sc= -0.015 (180deg=-0.015) USER MOD Single : A1191 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.17) USER MOD Single : A1196 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A1197 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A1200 ASN : amide:sc= 0.723 K(o=0.72,f=-3.7!) USER MOD Single : A1203 MET CE :methyl -113:sc=-0.00225 (180deg=-0.122) USER MOD Single : A1204 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A1206 HIS : no HE2:sc= -0.425 K(o=-0.42,f=-2.4) USER MOD Single : A1209 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1212 THR OG1 : rot 180:sc= 0 USER MOD Single : A1223 CYS SG : rot 170:sc= -0.769 USER MOD ----------------------------------------------------------------- ATOM 117 N VAL A1055 5.160 -1.727 13.418 1.00 1.61 N ATOM 118 CA VAL A1055 5.542 -0.396 12.891 1.00 1.76 C ATOM 119 C VAL A1055 5.743 -0.430 11.371 1.00 1.55 C ATOM 120 O VAL A1055 6.229 -1.430 10.837 1.00 1.79 O ATOM 121 CB VAL A1055 6.821 0.145 13.574 1.00 2.34 C ATOM 122 CG1 VAL A1055 6.579 0.464 15.050 1.00 3.13 C ATOM 123 CG2 VAL A1055 8.020 -0.810 13.488 1.00 3.06 C ATOM 0 HA VAL A1055 4.716 0.278 13.120 1.00 1.76 H new ATOM 0 HB VAL A1055 7.063 1.051 13.019 1.00 2.34 H new ATOM 0 HG11 VAL A1055 7.499 0.841 15.496 1.00 3.13 H new ATOM 0 HG12 VAL A1055 5.798 1.219 15.136 1.00 3.13 H new ATOM 0 HG13 VAL A1055 6.267 -0.441 15.571 1.00 3.13 H new ATOM 0 HG21 VAL A1055 8.879 -0.362 13.989 1.00 3.06 H new ATOM 0 HG22 VAL A1055 7.769 -1.754 13.973 1.00 3.06 H new ATOM 0 HG23 VAL A1055 8.265 -0.993 12.442 1.00 3.06 H new ATOM 133 N VAL A1056 5.424 0.657 10.654 1.00 1.29 N ATOM 134 CA VAL A1056 5.780 0.771 9.223 1.00 1.15 C ATOM 135 C VAL A1056 7.270 1.097 9.116 1.00 1.09 C ATOM 136 O VAL A1056 7.749 2.059 9.714 1.00 1.33 O ATOM 137 CB VAL A1056 4.857 1.722 8.430 1.00 1.17 C ATOM 138 CG1 VAL A1056 4.868 3.187 8.880 1.00 1.71 C ATOM 139 CG2 VAL A1056 5.188 1.664 6.933 1.00 1.45 C ATOM 0 H VAL A1056 4.926 1.463 11.031 1.00 1.29 H new ATOM 0 HA VAL A1056 5.606 -0.187 8.733 1.00 1.15 H new ATOM 0 HB VAL A1056 3.853 1.352 8.636 1.00 1.17 H new ATOM 0 HG11 VAL A1056 4.186 3.764 8.256 1.00 1.71 H new ATOM 0 HG12 VAL A1056 4.550 3.250 9.921 1.00 1.71 H new ATOM 0 HG13 VAL A1056 5.876 3.590 8.784 1.00 1.71 H new ATOM 0 HG21 VAL A1056 4.529 2.340 6.388 1.00 1.45 H new ATOM 0 HG22 VAL A1056 6.224 1.964 6.778 1.00 1.45 H new ATOM 0 HG23 VAL A1056 5.046 0.647 6.568 1.00 1.45 H new ATOM 149 N ASN A1057 8.031 0.274 8.393 1.00 0.89 N ATOM 150 CA ASN A1057 9.489 0.312 8.416 1.00 0.90 C ATOM 151 C ASN A1057 10.104 0.946 7.147 1.00 0.81 C ATOM 152 O ASN A1057 10.951 1.840 7.264 1.00 0.85 O ATOM 153 CB ASN A1057 9.946 -1.120 8.744 1.00 0.92 C ATOM 154 CG ASN A1057 11.341 -1.368 8.227 1.00 1.18 C ATOM 155 OD1 ASN A1057 12.293 -0.712 8.623 1.00 2.29 O ATOM 156 ND2 ASN A1057 11.476 -2.227 7.255 1.00 1.68 N ATOM 0 H ASN A1057 7.649 -0.440 7.773 1.00 0.89 H new ATOM 0 HA ASN A1057 9.865 0.987 9.185 1.00 0.90 H new ATOM 0 HB2 ASN A1057 9.920 -1.277 9.822 1.00 0.92 H new ATOM 0 HB3 ASN A1057 9.256 -1.838 8.300 1.00 0.92 H new ATOM 0 HD21 ASN A1057 12.386 -2.359 6.814 1.00 1.68 H new ATOM 0 HD22 ASN A1057 10.671 -2.767 6.936 1.00 1.68 H new ATOM 163 N GLN A1058 9.680 0.515 5.955 1.00 0.76 N ATOM 164 CA GLN A1058 10.158 1.038 4.664 1.00 0.76 C ATOM 165 C GLN A1058 9.005 1.103 3.650 1.00 0.72 C ATOM 166 O GLN A1058 8.279 0.122 3.477 1.00 0.67 O ATOM 167 CB GLN A1058 11.284 0.140 4.098 1.00 0.79 C ATOM 168 CG GLN A1058 12.620 0.181 4.859 1.00 2.04 C ATOM 169 CD GLN A1058 13.517 -0.997 4.487 1.00 2.98 C ATOM 170 OE1 GLN A1058 13.504 -2.039 5.133 1.00 4.07 O ATOM 171 NE2 GLN A1058 14.302 -0.899 3.437 1.00 3.44 N ATOM 0 H GLN A1058 8.981 -0.221 5.855 1.00 0.76 H new ATOM 0 HA GLN A1058 10.548 2.042 4.831 1.00 0.76 H new ATOM 0 HB2 GLN A1058 10.928 -0.890 4.082 1.00 0.79 H new ATOM 0 HB3 GLN A1058 11.468 0.429 3.063 1.00 0.79 H new ATOM 0 HG2 GLN A1058 13.136 1.115 4.639 1.00 2.04 H new ATOM 0 HG3 GLN A1058 12.428 0.168 5.932 1.00 2.04 H new ATOM 0 HE21 GLN A1058 14.320 -0.037 2.893 1.00 3.44 H new ATOM 0 HE22 GLN A1058 14.893 -1.685 3.167 1.00 3.44 H new ATOM 180 N VAL A1059 8.864 2.227 2.940 1.00 0.80 N ATOM 181 CA VAL A1059 7.960 2.370 1.781 1.00 0.81 C ATOM 182 C VAL A1059 8.720 2.892 0.562 1.00 0.88 C ATOM 183 O VAL A1059 9.510 3.839 0.674 1.00 1.03 O ATOM 184 CB VAL A1059 6.717 3.236 2.074 1.00 0.89 C ATOM 185 CG1 VAL A1059 5.828 2.565 3.122 1.00 0.88 C ATOM 186 CG2 VAL A1059 7.027 4.656 2.557 1.00 1.12 C ATOM 0 H VAL A1059 9.381 3.080 3.153 1.00 0.80 H new ATOM 0 HA VAL A1059 7.583 1.371 1.561 1.00 0.81 H new ATOM 0 HB VAL A1059 6.211 3.322 1.112 1.00 0.89 H new ATOM 0 HG11 VAL A1059 4.957 3.191 3.315 1.00 0.88 H new ATOM 0 HG12 VAL A1059 5.501 1.593 2.753 1.00 0.88 H new ATOM 0 HG13 VAL A1059 6.391 2.432 4.046 1.00 0.88 H new ATOM 0 HG21 VAL A1059 6.094 5.191 2.738 1.00 1.12 H new ATOM 0 HG22 VAL A1059 7.603 4.608 3.481 1.00 1.12 H new ATOM 0 HG23 VAL A1059 7.605 5.181 1.796 1.00 1.12 H new ATOM 196 N LYS A1060 8.513 2.246 -0.592 1.00 0.78 N ATOM 197 CA LYS A1060 9.260 2.495 -1.837 1.00 0.81 C ATOM 198 C LYS A1060 8.349 2.501 -3.067 1.00 0.69 C ATOM 199 O LYS A1060 7.462 1.658 -3.192 1.00 0.59 O ATOM 200 CB LYS A1060 10.376 1.445 -2.004 1.00 0.94 C ATOM 201 CG LYS A1060 11.506 1.607 -0.979 1.00 1.71 C ATOM 202 CD LYS A1060 12.660 0.607 -1.143 1.00 1.70 C ATOM 203 CE LYS A1060 13.449 0.846 -2.436 1.00 1.20 C ATOM 204 NZ LYS A1060 14.734 0.113 -2.413 1.00 1.59 N ATOM 0 H LYS A1060 7.805 1.518 -0.691 1.00 0.78 H new ATOM 0 HA LYS A1060 9.704 3.488 -1.759 1.00 0.81 H new ATOM 0 HB2 LYS A1060 9.947 0.448 -1.909 1.00 0.94 H new ATOM 0 HB3 LYS A1060 10.791 1.520 -3.009 1.00 0.94 H new ATOM 0 HG2 LYS A1060 11.905 2.619 -1.053 1.00 1.71 H new ATOM 0 HG3 LYS A1060 11.089 1.501 0.023 1.00 1.71 H new ATOM 0 HD2 LYS A1060 13.332 0.686 -0.289 1.00 1.70 H new ATOM 0 HD3 LYS A1060 12.263 -0.408 -1.143 1.00 1.70 H new ATOM 0 HE2 LYS A1060 12.857 0.524 -3.293 1.00 1.20 H new ATOM 0 HE3 LYS A1060 13.636 1.913 -2.561 1.00 1.20 H new ATOM 0 HZ1 LYS A1060 15.250 0.290 -3.298 1.00 1.59 H new ATOM 0 HZ2 LYS A1060 15.305 0.439 -1.608 1.00 1.59 H new ATOM 0 HZ3 LYS A1060 14.551 -0.906 -2.317 1.00 1.59 H new ATOM 218 N VAL A1061 8.612 3.419 -3.995 1.00 0.73 N ATOM 219 CA VAL A1061 7.854 3.597 -5.244 1.00 0.63 C ATOM 220 C VAL A1061 8.274 2.566 -6.303 1.00 0.63 C ATOM 221 O VAL A1061 9.433 2.140 -6.354 1.00 1.07 O ATOM 222 CB VAL A1061 8.010 5.048 -5.757 1.00 0.78 C ATOM 223 CG1 VAL A1061 7.119 5.333 -6.972 1.00 0.75 C ATOM 224 CG2 VAL A1061 7.626 6.080 -4.687 1.00 1.16 C ATOM 0 H VAL A1061 9.381 4.083 -3.901 1.00 0.73 H new ATOM 0 HA VAL A1061 6.798 3.423 -5.039 1.00 0.63 H new ATOM 0 HB VAL A1061 9.063 5.138 -6.024 1.00 0.78 H new ATOM 0 HG11 VAL A1061 7.264 6.364 -7.295 1.00 0.75 H new ATOM 0 HG12 VAL A1061 7.385 4.657 -7.785 1.00 0.75 H new ATOM 0 HG13 VAL A1061 6.074 5.181 -6.701 1.00 0.75 H new ATOM 0 HG21 VAL A1061 7.750 7.085 -5.090 1.00 1.16 H new ATOM 0 HG22 VAL A1061 6.586 5.932 -4.395 1.00 1.16 H new ATOM 0 HG23 VAL A1061 8.268 5.956 -3.815 1.00 1.16 H new ATOM 234 N LEU A1062 7.317 2.161 -7.147 1.00 0.57 N ATOM 235 CA LEU A1062 7.481 1.119 -8.174 1.00 0.60 C ATOM 236 C LEU A1062 6.879 1.495 -9.554 1.00 0.61 C ATOM 237 O LEU A1062 6.786 0.660 -10.457 1.00 1.06 O ATOM 238 CB LEU A1062 6.967 -0.204 -7.562 1.00 0.76 C ATOM 239 CG LEU A1062 7.356 -1.523 -8.257 1.00 0.74 C ATOM 240 CD1 LEU A1062 8.830 -1.601 -8.651 1.00 1.27 C ATOM 241 CD2 LEU A1062 7.086 -2.681 -7.290 1.00 1.50 C ATOM 0 H LEU A1062 6.378 2.560 -7.136 1.00 0.57 H new ATOM 0 HA LEU A1062 8.533 1.000 -8.432 1.00 0.60 H new ATOM 0 HB2 LEU A1062 7.318 -0.254 -6.531 1.00 0.76 H new ATOM 0 HB3 LEU A1062 5.879 -0.154 -7.526 1.00 0.76 H new ATOM 0 HG LEU A1062 6.762 -1.578 -9.169 1.00 0.74 H new ATOM 0 HD11 LEU A1062 9.027 -2.558 -9.134 1.00 1.27 H new ATOM 0 HD12 LEU A1062 9.066 -0.791 -9.341 1.00 1.27 H new ATOM 0 HD13 LEU A1062 9.450 -1.510 -7.759 1.00 1.27 H new ATOM 0 HD21 LEU A1062 7.356 -3.623 -7.766 1.00 1.50 H new ATOM 0 HD22 LEU A1062 7.681 -2.547 -6.387 1.00 1.50 H new ATOM 0 HD23 LEU A1062 6.028 -2.697 -7.028 1.00 1.50 H new ATOM 253 N THR A1063 6.512 2.766 -9.754 1.00 0.55 N ATOM 254 CA THR A1063 6.088 3.345 -11.047 1.00 0.57 C ATOM 255 C THR A1063 6.550 4.803 -11.184 1.00 0.77 C ATOM 256 O THR A1063 6.712 5.498 -10.179 1.00 1.92 O ATOM 257 CB THR A1063 4.565 3.226 -11.205 1.00 0.74 C ATOM 258 OG1 THR A1063 4.175 3.363 -12.550 1.00 1.17 O ATOM 259 CG2 THR A1063 3.752 4.239 -10.394 1.00 0.90 C ATOM 0 H THR A1063 6.499 3.449 -8.997 1.00 0.55 H new ATOM 0 HA THR A1063 6.563 2.780 -11.849 1.00 0.57 H new ATOM 0 HB THR A1063 4.346 2.230 -10.820 1.00 0.74 H new ATOM 0 HG1 THR A1063 3.201 3.281 -12.618 1.00 1.17 H new ATOM 0 HG21 THR A1063 2.689 4.077 -10.570 1.00 0.90 H new ATOM 0 HG22 THR A1063 3.967 4.112 -9.333 1.00 0.90 H new ATOM 0 HG23 THR A1063 4.020 5.250 -10.701 1.00 0.90 H new ATOM 267 N GLU A1064 6.756 5.301 -12.401 1.00 1.41 N ATOM 268 CA GLU A1064 7.038 6.727 -12.676 1.00 1.74 C ATOM 269 C GLU A1064 5.745 7.561 -12.731 1.00 2.04 C ATOM 270 O GLU A1064 4.646 7.010 -12.705 1.00 3.28 O ATOM 271 CB GLU A1064 7.829 6.832 -13.995 1.00 2.50 C ATOM 272 CG GLU A1064 9.254 6.276 -13.867 1.00 2.73 C ATOM 273 CD GLU A1064 10.010 6.377 -15.196 1.00 3.71 C ATOM 274 OE1 GLU A1064 9.681 5.619 -16.140 1.00 5.02 O ATOM 275 OE2 GLU A1064 10.950 7.197 -15.320 1.00 3.87 O ATOM 0 H GLU A1064 6.734 4.725 -13.243 1.00 1.41 H new ATOM 0 HA GLU A1064 7.635 7.136 -11.861 1.00 1.74 H new ATOM 0 HB2 GLU A1064 7.299 6.289 -14.778 1.00 2.50 H new ATOM 0 HB3 GLU A1064 7.875 7.876 -14.306 1.00 2.50 H new ATOM 0 HG2 GLU A1064 9.794 6.826 -13.096 1.00 2.73 H new ATOM 0 HG3 GLU A1064 9.214 5.235 -13.547 1.00 2.73 H new ATOM 282 N SER A1065 5.838 8.892 -12.829 1.00 1.99 N ATOM 283 CA SER A1065 4.676 9.807 -12.757 1.00 2.50 C ATOM 284 C SER A1065 3.656 9.688 -13.911 1.00 2.30 C ATOM 285 O SER A1065 2.683 10.438 -13.935 1.00 2.95 O ATOM 286 CB SER A1065 5.150 11.261 -12.634 1.00 3.58 C ATOM 287 OG SER A1065 5.990 11.447 -11.503 1.00 3.99 O ATOM 0 H SER A1065 6.726 9.376 -12.962 1.00 1.99 H new ATOM 0 HA SER A1065 4.135 9.492 -11.865 1.00 2.50 H new ATOM 0 HB2 SER A1065 5.689 11.546 -13.538 1.00 3.58 H new ATOM 0 HB3 SER A1065 4.285 11.920 -12.557 1.00 3.58 H new ATOM 0 HG SER A1065 6.274 12.384 -11.457 1.00 3.99 H new ATOM 293 N ASN A1066 3.847 8.752 -14.847 1.00 1.93 N ATOM 294 CA ASN A1066 3.057 8.537 -16.065 1.00 2.01 C ATOM 295 C ASN A1066 1.536 8.388 -15.805 1.00 1.78 C ATOM 296 O ASN A1066 0.746 9.156 -16.362 1.00 2.10 O ATOM 297 CB ASN A1066 3.686 7.314 -16.771 1.00 2.33 C ATOM 298 CG ASN A1066 3.093 6.970 -18.127 1.00 3.24 C ATOM 299 OD1 ASN A1066 2.324 7.711 -18.714 1.00 4.12 O ATOM 300 ND2 ASN A1066 3.433 5.820 -18.664 1.00 3.75 N ATOM 0 H ASN A1066 4.609 8.079 -14.769 1.00 1.93 H new ATOM 0 HA ASN A1066 3.100 9.417 -16.707 1.00 2.01 H new ATOM 0 HB2 ASN A1066 4.753 7.497 -16.896 1.00 2.33 H new ATOM 0 HB3 ASN A1066 3.585 6.447 -16.118 1.00 2.33 H new ATOM 0 HD21 ASN A1066 3.053 5.549 -19.571 1.00 3.75 H new ATOM 0 HD22 ASN A1066 4.077 5.199 -18.174 1.00 3.75 H new ATOM 307 N ARG A1067 1.119 7.454 -14.930 1.00 1.45 N ATOM 308 CA ARG A1067 -0.279 7.304 -14.464 1.00 1.28 C ATOM 309 C ARG A1067 -0.526 8.048 -13.145 1.00 1.15 C ATOM 310 O ARG A1067 -1.527 8.754 -13.016 1.00 1.31 O ATOM 311 CB ARG A1067 -0.641 5.803 -14.343 1.00 1.19 C ATOM 312 CG ARG A1067 -2.130 5.541 -14.039 1.00 2.25 C ATOM 313 CD ARG A1067 -3.056 5.793 -15.239 1.00 3.56 C ATOM 314 NE ARG A1067 -4.388 6.261 -14.818 1.00 4.96 N ATOM 315 CZ ARG A1067 -5.481 5.562 -14.587 1.00 6.08 C ATOM 316 NH1 ARG A1067 -5.525 4.264 -14.608 1.00 6.25 N ATOM 317 NH2 ARG A1067 -6.569 6.208 -14.302 1.00 7.54 N ATOM 0 H ARG A1067 1.752 6.769 -14.518 1.00 1.45 H new ATOM 0 HA ARG A1067 -0.933 7.760 -15.207 1.00 1.28 H new ATOM 0 HB2 ARG A1067 -0.376 5.300 -15.273 1.00 1.19 H new ATOM 0 HB3 ARG A1067 -0.035 5.356 -13.555 1.00 1.19 H new ATOM 0 HG2 ARG A1067 -2.249 4.509 -13.709 1.00 2.25 H new ATOM 0 HG3 ARG A1067 -2.441 6.178 -13.211 1.00 2.25 H new ATOM 0 HD2 ARG A1067 -2.603 6.534 -15.898 1.00 3.56 H new ATOM 0 HD3 ARG A1067 -3.160 4.874 -15.816 1.00 3.56 H new ATOM 0 HE ARG A1067 -4.477 7.269 -14.687 1.00 4.96 H new ATOM 0 HH11 ARG A1067 -4.681 3.728 -14.812 1.00 6.25 H new ATOM 0 HH12 ARG A1067 -6.403 3.780 -14.420 1.00 6.25 H new ATOM 0 HH21 ARG A1067 -6.561 7.227 -14.262 1.00 7.54 H new ATOM 0 HH22 ARG A1067 -7.432 5.697 -14.118 1.00 7.54 H new ATOM 331 N ILE A1068 0.376 7.877 -12.173 1.00 0.98 N ATOM 332 CA ILE A1068 0.318 8.497 -10.839 1.00 0.90 C ATOM 333 C ILE A1068 1.730 8.830 -10.337 1.00 0.88 C ATOM 334 O ILE A1068 2.637 8.007 -10.467 1.00 0.95 O ATOM 335 CB ILE A1068 -0.409 7.629 -9.768 1.00 0.86 C ATOM 336 CG1 ILE A1068 -1.184 6.376 -10.235 1.00 1.39 C ATOM 337 CG2 ILE A1068 -1.366 8.536 -8.981 1.00 1.33 C ATOM 338 CD1 ILE A1068 -0.270 5.176 -10.526 1.00 1.07 C ATOM 0 H ILE A1068 1.196 7.283 -12.295 1.00 0.98 H new ATOM 0 HA ILE A1068 -0.270 9.406 -10.968 1.00 0.90 H new ATOM 0 HB ILE A1068 0.406 7.212 -9.177 1.00 0.86 H new ATOM 0 HG12 ILE A1068 -1.907 6.097 -9.469 1.00 1.39 H new ATOM 0 HG13 ILE A1068 -1.750 6.620 -11.134 1.00 1.39 H new ATOM 0 HG21 ILE A1068 -1.886 7.948 -8.225 1.00 1.33 H new ATOM 0 HG22 ILE A1068 -0.798 9.330 -8.496 1.00 1.33 H new ATOM 0 HG23 ILE A1068 -2.094 8.975 -9.663 1.00 1.33 H new ATOM 0 HD11 ILE A1068 -0.874 4.328 -10.849 1.00 1.07 H new ATOM 0 HD12 ILE A1068 0.437 5.439 -11.313 1.00 1.07 H new ATOM 0 HD13 ILE A1068 0.277 4.908 -9.622 1.00 1.07 H new ATOM 350 N SER A1069 1.915 10.008 -9.736 1.00 0.96 N ATOM 351 CA SER A1069 3.193 10.457 -9.157 1.00 0.99 C ATOM 352 C SER A1069 3.379 10.046 -7.687 1.00 0.85 C ATOM 353 O SER A1069 2.404 9.891 -6.946 1.00 0.78 O ATOM 354 CB SER A1069 3.343 11.971 -9.320 1.00 1.16 C ATOM 355 OG SER A1069 4.697 12.317 -9.114 1.00 1.76 O ATOM 0 H SER A1069 1.167 10.694 -9.634 1.00 0.96 H new ATOM 0 HA SER A1069 3.982 9.949 -9.712 1.00 0.99 H new ATOM 0 HB2 SER A1069 3.022 12.277 -10.316 1.00 1.16 H new ATOM 0 HB3 SER A1069 2.707 12.493 -8.605 1.00 1.16 H new ATOM 0 HG SER A1069 5.223 12.065 -9.902 1.00 1.76 H new ATOM 361 N HIS A1070 4.636 9.923 -7.242 1.00 0.89 N ATOM 362 CA HIS A1070 5.043 9.475 -5.898 1.00 0.90 C ATOM 363 C HIS A1070 4.262 10.106 -4.717 1.00 0.85 C ATOM 364 O HIS A1070 3.822 9.382 -3.820 1.00 0.82 O ATOM 365 CB HIS A1070 6.555 9.738 -5.747 1.00 1.11 C ATOM 366 CG HIS A1070 6.942 11.201 -5.780 1.00 2.05 C ATOM 367 ND1 HIS A1070 7.003 12.036 -4.689 1.00 2.92 N ATOM 368 CD2 HIS A1070 7.186 11.975 -6.884 1.00 3.04 C ATOM 369 CE1 HIS A1070 7.231 13.284 -5.122 1.00 3.93 C ATOM 370 NE2 HIS A1070 7.365 13.299 -6.459 1.00 4.02 N ATOM 0 H HIS A1070 5.437 10.143 -7.835 1.00 0.89 H new ATOM 0 HA HIS A1070 4.802 8.414 -5.835 1.00 0.90 H new ATOM 0 HB2 HIS A1070 6.894 9.306 -4.805 1.00 1.11 H new ATOM 0 HB3 HIS A1070 7.083 9.217 -6.545 1.00 1.11 H new ATOM 0 HD2 HIS A1070 7.232 11.626 -7.905 1.00 3.04 H new ATOM 0 HE1 HIS A1070 7.298 14.154 -4.486 1.00 3.93 H new ATOM 0 HE2 HIS A1070 7.558 14.110 -7.046 1.00 4.02 H new ATOM 378 N HIS A1071 4.034 11.427 -4.728 1.00 0.94 N ATOM 379 CA HIS A1071 3.324 12.156 -3.663 1.00 1.03 C ATOM 380 C HIS A1071 1.826 11.811 -3.631 1.00 0.90 C ATOM 381 O HIS A1071 1.241 11.610 -2.566 1.00 0.89 O ATOM 382 CB HIS A1071 3.552 13.664 -3.875 1.00 1.32 C ATOM 383 CG HIS A1071 2.653 14.566 -3.059 1.00 2.51 C ATOM 384 ND1 HIS A1071 1.664 15.384 -3.560 1.00 4.33 N ATOM 385 CD2 HIS A1071 2.661 14.741 -1.700 1.00 2.89 C ATOM 386 CE1 HIS A1071 1.092 16.033 -2.536 1.00 5.22 C ATOM 387 NE2 HIS A1071 1.671 15.681 -1.375 1.00 4.40 N ATOM 0 H HIS A1071 4.343 12.031 -5.490 1.00 0.94 H new ATOM 0 HA HIS A1071 3.721 11.856 -2.693 1.00 1.03 H new ATOM 0 HB2 HIS A1071 4.590 13.897 -3.635 1.00 1.32 H new ATOM 0 HB3 HIS A1071 3.410 13.893 -4.931 1.00 1.32 H new ATOM 0 HD2 HIS A1071 3.315 14.242 -1.001 1.00 2.89 H new ATOM 0 HE1 HIS A1071 0.280 16.739 -2.630 1.00 5.22 H new ATOM 0 HE2 HIS A1071 1.438 16.028 -0.445 1.00 4.40 H new ATOM 395 N LYS A1072 1.211 11.670 -4.810 1.00 0.87 N ATOM 396 CA LYS A1072 -0.208 11.323 -4.955 1.00 0.85 C ATOM 397 C LYS A1072 -0.475 9.861 -4.574 1.00 0.77 C ATOM 398 O LYS A1072 -1.519 9.567 -3.999 1.00 0.82 O ATOM 399 CB LYS A1072 -0.642 11.704 -6.380 1.00 0.93 C ATOM 400 CG LYS A1072 -2.170 11.830 -6.524 1.00 1.81 C ATOM 401 CD LYS A1072 -2.615 12.502 -7.837 1.00 2.54 C ATOM 402 CE LYS A1072 -2.008 13.906 -7.979 1.00 2.49 C ATOM 403 NZ LYS A1072 -2.677 14.722 -9.013 1.00 3.48 N ATOM 0 H LYS A1072 1.690 11.795 -5.702 1.00 0.87 H new ATOM 0 HA LYS A1072 -0.824 11.889 -4.256 1.00 0.85 H new ATOM 0 HB2 LYS A1072 -0.176 12.650 -6.656 1.00 0.93 H new ATOM 0 HB3 LYS A1072 -0.276 10.952 -7.080 1.00 0.93 H new ATOM 0 HG2 LYS A1072 -2.615 10.837 -6.466 1.00 1.81 H new ATOM 0 HG3 LYS A1072 -2.559 12.403 -5.683 1.00 1.81 H new ATOM 0 HD2 LYS A1072 -2.313 11.886 -8.684 1.00 2.54 H new ATOM 0 HD3 LYS A1072 -3.703 12.569 -7.863 1.00 2.54 H new ATOM 0 HE2 LYS A1072 -2.070 14.421 -7.021 1.00 2.49 H new ATOM 0 HE3 LYS A1072 -0.950 13.815 -8.224 1.00 2.49 H new ATOM 0 HZ1 LYS A1072 -2.225 15.657 -9.063 1.00 3.48 H new ATOM 0 HZ2 LYS A1072 -2.596 14.248 -9.935 1.00 3.48 H new ATOM 0 HZ3 LYS A1072 -3.682 14.836 -8.769 1.00 3.48 H new ATOM 417 N ILE A1073 0.503 8.975 -4.799 1.00 0.69 N ATOM 418 CA ILE A1073 0.511 7.584 -4.307 1.00 0.62 C ATOM 419 C ILE A1073 0.604 7.545 -2.772 1.00 0.64 C ATOM 420 O ILE A1073 -0.210 6.879 -2.134 1.00 0.63 O ATOM 421 CB ILE A1073 1.643 6.772 -4.986 1.00 0.66 C ATOM 422 CG1 ILE A1073 1.368 6.640 -6.501 1.00 0.65 C ATOM 423 CG2 ILE A1073 1.789 5.370 -4.362 1.00 0.69 C ATOM 424 CD1 ILE A1073 2.596 6.230 -7.323 1.00 0.74 C ATOM 0 H ILE A1073 1.334 9.208 -5.342 1.00 0.69 H new ATOM 0 HA ILE A1073 -0.433 7.111 -4.579 1.00 0.62 H new ATOM 0 HB ILE A1073 2.576 7.312 -4.828 1.00 0.66 H new ATOM 0 HG12 ILE A1073 0.579 5.904 -6.654 1.00 0.65 H new ATOM 0 HG13 ILE A1073 0.993 7.592 -6.876 1.00 0.65 H new ATOM 0 HG21 ILE A1073 2.592 4.830 -4.864 1.00 0.69 H new ATOM 0 HG22 ILE A1073 2.023 5.466 -3.302 1.00 0.69 H new ATOM 0 HG23 ILE A1073 0.855 4.821 -4.479 1.00 0.69 H new ATOM 0 HD11 ILE A1073 2.322 6.159 -8.376 1.00 0.74 H new ATOM 0 HD12 ILE A1073 3.381 6.977 -7.202 1.00 0.74 H new ATOM 0 HD13 ILE A1073 2.959 5.263 -6.976 1.00 0.74 H new ATOM 436 N LEU A1074 1.537 8.297 -2.171 1.00 0.72 N ATOM 437 CA LEU A1074 1.704 8.388 -0.711 1.00 0.77 C ATOM 438 C LEU A1074 0.409 8.844 -0.015 1.00 0.69 C ATOM 439 O LEU A1074 0.005 8.250 0.989 1.00 0.69 O ATOM 440 CB LEU A1074 2.886 9.337 -0.413 1.00 0.98 C ATOM 441 CG LEU A1074 3.067 9.718 1.070 1.00 1.05 C ATOM 442 CD1 LEU A1074 3.343 8.504 1.961 1.00 1.75 C ATOM 443 CD2 LEU A1074 4.228 10.700 1.211 1.00 1.99 C ATOM 0 H LEU A1074 2.205 8.866 -2.690 1.00 0.72 H new ATOM 0 HA LEU A1074 1.925 7.400 -0.307 1.00 0.77 H new ATOM 0 HB2 LEU A1074 3.805 8.868 -0.765 1.00 0.98 H new ATOM 0 HB3 LEU A1074 2.752 10.251 -0.992 1.00 0.98 H new ATOM 0 HG LEU A1074 2.130 10.170 1.397 1.00 1.05 H new ATOM 0 HD11 LEU A1074 3.462 8.830 2.994 1.00 1.75 H new ATOM 0 HD12 LEU A1074 2.508 7.807 1.895 1.00 1.75 H new ATOM 0 HD13 LEU A1074 4.256 8.009 1.629 1.00 1.75 H new ATOM 0 HD21 LEU A1074 4.353 10.967 2.260 1.00 1.99 H new ATOM 0 HD22 LEU A1074 5.143 10.237 0.843 1.00 1.99 H new ATOM 0 HD23 LEU A1074 4.017 11.598 0.631 1.00 1.99 H new ATOM 455 N ALA A1075 -0.260 9.853 -0.579 1.00 0.70 N ATOM 456 CA ALA A1075 -1.569 10.310 -0.125 1.00 0.72 C ATOM 457 C ALA A1075 -2.610 9.179 -0.168 1.00 0.68 C ATOM 458 O ALA A1075 -3.095 8.783 0.887 1.00 0.73 O ATOM 459 CB ALA A1075 -1.976 11.536 -0.950 1.00 0.84 C ATOM 0 H ALA A1075 0.100 10.380 -1.374 1.00 0.70 H new ATOM 0 HA ALA A1075 -1.515 10.607 0.922 1.00 0.72 H new ATOM 0 HB1 ALA A1075 -2.954 11.888 -0.621 1.00 0.84 H new ATOM 0 HB2 ALA A1075 -1.240 12.328 -0.812 1.00 0.84 H new ATOM 0 HB3 ALA A1075 -2.024 11.265 -2.005 1.00 0.84 H new ATOM 465 N ILE A1076 -2.926 8.602 -1.336 1.00 0.69 N ATOM 466 CA ILE A1076 -4.017 7.608 -1.430 1.00 0.75 C ATOM 467 C ILE A1076 -3.751 6.320 -0.633 1.00 0.78 C ATOM 468 O ILE A1076 -4.699 5.758 -0.089 1.00 0.93 O ATOM 469 CB ILE A1076 -4.439 7.323 -2.890 1.00 0.77 C ATOM 470 CG1 ILE A1076 -3.310 6.673 -3.723 1.00 0.68 C ATOM 471 CG2 ILE A1076 -4.991 8.621 -3.507 1.00 0.87 C ATOM 472 CD1 ILE A1076 -3.573 6.579 -5.233 1.00 0.68 C ATOM 0 H ILE A1076 -2.453 8.799 -2.218 1.00 0.69 H new ATOM 0 HA ILE A1076 -4.872 8.077 -0.944 1.00 0.75 H new ATOM 0 HB ILE A1076 -5.232 6.576 -2.896 1.00 0.77 H new ATOM 0 HG12 ILE A1076 -2.393 7.241 -3.566 1.00 0.68 H new ATOM 0 HG13 ILE A1076 -3.132 5.668 -3.340 1.00 0.68 H new ATOM 0 HG21 ILE A1076 -5.293 8.434 -4.538 1.00 0.87 H new ATOM 0 HG22 ILE A1076 -5.853 8.959 -2.932 1.00 0.87 H new ATOM 0 HG23 ILE A1076 -4.219 9.390 -3.489 1.00 0.87 H new ATOM 0 HD11 ILE A1076 -2.720 6.108 -5.722 1.00 0.68 H new ATOM 0 HD12 ILE A1076 -4.468 5.982 -5.410 1.00 0.68 H new ATOM 0 HD13 ILE A1076 -3.718 7.580 -5.640 1.00 0.68 H new ATOM 484 N VAL A1077 -2.489 5.897 -0.477 1.00 0.73 N ATOM 485 CA VAL A1077 -2.111 4.805 0.445 1.00 0.84 C ATOM 486 C VAL A1077 -2.438 5.170 1.895 1.00 0.79 C ATOM 487 O VAL A1077 -3.033 4.367 2.612 1.00 0.97 O ATOM 488 CB VAL A1077 -0.616 4.447 0.303 1.00 0.94 C ATOM 489 CG1 VAL A1077 -0.104 3.504 1.405 1.00 1.20 C ATOM 490 CG2 VAL A1077 -0.369 3.745 -1.037 1.00 1.04 C ATOM 0 H VAL A1077 -1.699 6.298 -0.983 1.00 0.73 H new ATOM 0 HA VAL A1077 -2.698 3.928 0.172 1.00 0.84 H new ATOM 0 HB VAL A1077 -0.081 5.394 0.377 1.00 0.94 H new ATOM 0 HG11 VAL A1077 0.953 3.295 1.243 1.00 1.20 H new ATOM 0 HG12 VAL A1077 -0.235 3.977 2.378 1.00 1.20 H new ATOM 0 HG13 VAL A1077 -0.667 2.571 1.376 1.00 1.20 H new ATOM 0 HG21 VAL A1077 0.688 3.496 -1.128 1.00 1.04 H new ATOM 0 HG22 VAL A1077 -0.962 2.832 -1.084 1.00 1.04 H new ATOM 0 HG23 VAL A1077 -0.658 4.407 -1.853 1.00 1.04 H new ATOM 500 N GLY A1078 -2.069 6.376 2.336 1.00 0.64 N ATOM 501 CA GLY A1078 -2.318 6.824 3.704 1.00 0.61 C ATOM 502 C GLY A1078 -3.800 7.060 3.999 1.00 0.66 C ATOM 503 O GLY A1078 -4.349 6.487 4.939 1.00 0.94 O ATOM 0 H GLY A1078 -1.591 7.065 1.755 1.00 0.64 H new ATOM 0 HA2 GLY A1078 -1.929 6.080 4.400 1.00 0.61 H new ATOM 0 HA3 GLY A1078 -1.767 7.747 3.883 1.00 0.61 H new ATOM 507 N THR A1079 -4.477 7.871 3.187 1.00 0.60 N ATOM 508 CA THR A1079 -5.873 8.278 3.429 1.00 0.72 C ATOM 509 C THR A1079 -6.873 7.121 3.307 1.00 0.78 C ATOM 510 O THR A1079 -7.936 7.169 3.934 1.00 0.90 O ATOM 511 CB THR A1079 -6.332 9.485 2.581 1.00 0.83 C ATOM 512 OG1 THR A1079 -5.297 10.343 2.168 1.00 1.31 O ATOM 513 CG2 THR A1079 -7.229 10.384 3.398 1.00 1.13 C ATOM 0 H THR A1079 -4.077 8.269 2.338 1.00 0.60 H new ATOM 0 HA THR A1079 -5.870 8.605 4.469 1.00 0.72 H new ATOM 0 HB THR A1079 -6.809 9.024 1.716 1.00 0.83 H new ATOM 0 HG1 THR A1079 -4.661 9.845 1.614 1.00 1.31 H new ATOM 0 HG21 THR A1079 -7.546 11.231 2.790 1.00 1.13 H new ATOM 0 HG22 THR A1079 -8.105 9.824 3.725 1.00 1.13 H new ATOM 0 HG23 THR A1079 -6.684 10.747 4.270 1.00 1.13 H new ATOM 521 N ALA A1080 -6.545 6.045 2.579 1.00 0.77 N ATOM 522 CA ALA A1080 -7.336 4.811 2.577 1.00 0.88 C ATOM 523 C ALA A1080 -7.391 4.103 3.949 1.00 0.86 C ATOM 524 O ALA A1080 -8.339 3.370 4.223 1.00 1.15 O ATOM 525 CB ALA A1080 -6.789 3.879 1.490 1.00 1.00 C ATOM 0 H ALA A1080 -5.724 6.007 1.976 1.00 0.77 H new ATOM 0 HA ALA A1080 -8.370 5.081 2.361 1.00 0.88 H new ATOM 0 HB1 ALA A1080 -7.368 2.956 1.477 1.00 1.00 H new ATOM 0 HB2 ALA A1080 -6.864 4.369 0.519 1.00 1.00 H new ATOM 0 HB3 ALA A1080 -5.744 3.649 1.700 1.00 1.00 H new ATOM 531 N GLU A1081 -6.437 4.355 4.852 1.00 0.82 N ATOM 532 CA GLU A1081 -6.434 3.808 6.216 1.00 0.99 C ATOM 533 C GLU A1081 -7.029 4.792 7.240 1.00 1.06 C ATOM 534 O GLU A1081 -7.090 4.485 8.434 1.00 1.33 O ATOM 535 CB GLU A1081 -5.014 3.354 6.570 1.00 1.22 C ATOM 536 CG GLU A1081 -4.673 1.984 5.957 1.00 1.41 C ATOM 537 CD GLU A1081 -5.422 0.792 6.580 1.00 1.91 C ATOM 538 OE1 GLU A1081 -6.159 0.950 7.583 1.00 3.06 O ATOM 539 OE2 GLU A1081 -5.212 -0.351 6.106 1.00 2.29 O ATOM 0 H GLU A1081 -5.634 4.952 4.655 1.00 0.82 H new ATOM 0 HA GLU A1081 -7.089 2.938 6.255 1.00 0.99 H new ATOM 0 HB2 GLU A1081 -4.298 4.097 6.217 1.00 1.22 H new ATOM 0 HB3 GLU A1081 -4.911 3.301 7.654 1.00 1.22 H new ATOM 0 HG2 GLU A1081 -4.892 2.015 4.890 1.00 1.41 H new ATOM 0 HG3 GLU A1081 -3.601 1.814 6.057 1.00 1.41 H new ATOM 546 N SER A1082 -7.571 5.934 6.786 1.00 1.03 N ATOM 547 CA SER A1082 -8.396 6.840 7.611 1.00 1.27 C ATOM 548 C SER A1082 -9.729 6.182 8.036 1.00 1.28 C ATOM 549 O SER A1082 -10.470 6.737 8.849 1.00 1.61 O ATOM 550 CB SER A1082 -8.638 8.159 6.863 1.00 1.54 C ATOM 551 OG SER A1082 -8.971 9.204 7.755 1.00 2.23 O ATOM 0 H SER A1082 -7.449 6.260 5.827 1.00 1.03 H new ATOM 0 HA SER A1082 -7.847 7.054 8.528 1.00 1.27 H new ATOM 0 HB2 SER A1082 -7.744 8.429 6.301 1.00 1.54 H new ATOM 0 HB3 SER A1082 -9.442 8.026 6.139 1.00 1.54 H new ATOM 0 HG SER A1082 -9.557 8.858 8.460 1.00 2.23 H new ATOM 557 N ASN A1083 -9.995 4.973 7.519 1.00 1.13 N ATOM 558 CA ASN A1083 -11.044 4.023 7.894 1.00 1.48 C ATOM 559 C ASN A1083 -10.929 3.557 9.373 1.00 1.54 C ATOM 560 O ASN A1083 -10.249 4.186 10.190 1.00 2.39 O ATOM 561 CB ASN A1083 -10.931 2.848 6.886 1.00 2.35 C ATOM 562 CG ASN A1083 -12.214 2.054 6.706 1.00 3.23 C ATOM 563 OD1 ASN A1083 -13.250 2.347 7.285 1.00 3.57 O ATOM 564 ND2 ASN A1083 -12.208 1.021 5.904 1.00 4.13 N ATOM 0 H ASN A1083 -9.426 4.605 6.757 1.00 1.13 H new ATOM 0 HA ASN A1083 -12.028 4.488 7.842 1.00 1.48 H new ATOM 0 HB2 ASN A1083 -10.623 3.243 5.918 1.00 2.35 H new ATOM 0 HB3 ASN A1083 -10.143 2.173 7.220 1.00 2.35 H new ATOM 0 HD21 ASN A1083 -13.059 0.475 5.770 1.00 4.13 H new ATOM 0 HD22 ASN A1083 -11.353 0.762 5.413 1.00 4.13 H new ATOM 571 N SER A1084 -11.589 2.452 9.735 1.00 1.66 N ATOM 572 CA SER A1084 -11.700 1.960 11.123 1.00 2.19 C ATOM 573 C SER A1084 -11.219 0.506 11.277 1.00 2.22 C ATOM 574 O SER A1084 -11.843 -0.306 11.969 1.00 3.17 O ATOM 575 CB SER A1084 -13.138 2.128 11.623 1.00 3.17 C ATOM 576 OG SER A1084 -13.651 3.427 11.387 1.00 3.62 O ATOM 0 H SER A1084 -12.073 1.858 9.061 1.00 1.66 H new ATOM 0 HA SER A1084 -11.036 2.564 11.741 1.00 2.19 H new ATOM 0 HB2 SER A1084 -13.777 1.395 11.131 1.00 3.17 H new ATOM 0 HB3 SER A1084 -13.174 1.916 12.692 1.00 3.17 H new ATOM 0 HG SER A1084 -14.570 3.482 11.722 1.00 3.62 H new ATOM 582 N GLU A1085 -10.138 0.150 10.578 1.00 1.71 N ATOM 583 CA GLU A1085 -9.667 -1.231 10.417 1.00 2.08 C ATOM 584 C GLU A1085 -8.836 -1.762 11.594 1.00 2.08 C ATOM 585 O GLU A1085 -9.376 -2.513 12.408 1.00 2.65 O ATOM 586 CB GLU A1085 -8.938 -1.371 9.072 1.00 2.60 C ATOM 587 CG GLU A1085 -9.888 -1.262 7.877 1.00 3.39 C ATOM 588 CD GLU A1085 -10.913 -2.410 7.849 1.00 5.11 C ATOM 589 OE1 GLU A1085 -10.508 -3.595 7.855 1.00 6.29 O ATOM 590 OE2 GLU A1085 -12.143 -2.152 7.865 1.00 5.68 O ATOM 0 H GLU A1085 -9.550 0.830 10.096 1.00 1.71 H new ATOM 0 HA GLU A1085 -10.549 -1.871 10.416 1.00 2.08 H new ATOM 0 HB2 GLU A1085 -8.172 -0.599 8.995 1.00 2.60 H new ATOM 0 HB3 GLU A1085 -8.426 -2.332 9.038 1.00 2.60 H new ATOM 0 HG2 GLU A1085 -10.413 -0.308 7.917 1.00 3.39 H new ATOM 0 HG3 GLU A1085 -9.310 -1.269 6.953 1.00 3.39 H new ATOM 597 N HIS A1086 -7.546 -1.423 11.682 1.00 1.89 N ATOM 598 CA HIS A1086 -6.607 -1.987 12.663 1.00 2.09 C ATOM 599 C HIS A1086 -5.651 -0.908 13.220 1.00 1.85 C ATOM 600 O HIS A1086 -5.514 0.157 12.611 1.00 1.63 O ATOM 601 CB HIS A1086 -5.789 -3.118 12.000 1.00 2.52 C ATOM 602 CG HIS A1086 -6.584 -4.152 11.242 1.00 2.81 C ATOM 603 ND1 HIS A1086 -7.584 -4.958 11.737 1.00 4.25 N ATOM 604 CD2 HIS A1086 -6.416 -4.487 9.927 1.00 2.67 C ATOM 605 CE1 HIS A1086 -8.022 -5.744 10.741 1.00 4.29 C ATOM 606 NE2 HIS A1086 -7.338 -5.493 9.610 1.00 3.27 N ATOM 0 H HIS A1086 -7.115 -0.736 11.063 1.00 1.89 H new ATOM 0 HA HIS A1086 -7.185 -2.384 13.498 1.00 2.09 H new ATOM 0 HB2 HIS A1086 -5.071 -2.667 11.315 1.00 2.52 H new ATOM 0 HB3 HIS A1086 -5.215 -3.626 12.775 1.00 2.52 H new ATOM 0 HD2 HIS A1086 -5.697 -4.051 9.250 1.00 2.67 H new ATOM 0 HE1 HIS A1086 -8.812 -6.475 10.834 1.00 4.29 H new ATOM 0 HE2 HIS A1086 -7.465 -5.944 8.704 1.00 3.27 H new ATOM 614 N PRO A1087 -4.890 -1.174 14.306 1.00 2.08 N ATOM 615 CA PRO A1087 -3.870 -0.247 14.819 1.00 2.11 C ATOM 616 C PRO A1087 -2.821 0.188 13.779 1.00 1.83 C ATOM 617 O PRO A1087 -2.292 1.300 13.867 1.00 1.98 O ATOM 618 CB PRO A1087 -3.215 -0.982 15.995 1.00 2.53 C ATOM 619 CG PRO A1087 -4.331 -1.895 16.500 1.00 2.83 C ATOM 620 CD PRO A1087 -5.020 -2.316 15.204 1.00 2.50 C ATOM 0 HA PRO A1087 -4.341 0.692 15.111 1.00 2.11 H new ATOM 0 HB2 PRO A1087 -2.341 -1.551 15.678 1.00 2.53 H new ATOM 0 HB3 PRO A1087 -2.881 -0.289 16.767 1.00 2.53 H new ATOM 0 HG2 PRO A1087 -3.939 -2.751 17.048 1.00 2.83 H new ATOM 0 HG3 PRO A1087 -5.012 -1.372 17.171 1.00 2.83 H new ATOM 0 HD2 PRO A1087 -4.551 -3.204 14.780 1.00 2.50 H new ATOM 0 HD3 PRO A1087 -6.068 -2.561 15.378 1.00 2.50 H new ATOM 628 N LEU A1088 -2.556 -0.653 12.770 1.00 1.60 N ATOM 629 CA LEU A1088 -1.693 -0.328 11.630 1.00 1.41 C ATOM 630 C LEU A1088 -2.239 0.791 10.738 1.00 1.22 C ATOM 631 O LEU A1088 -1.454 1.563 10.196 1.00 1.26 O ATOM 632 CB LEU A1088 -1.448 -1.594 10.786 1.00 1.44 C ATOM 633 CG LEU A1088 -0.336 -2.505 11.327 1.00 1.70 C ATOM 634 CD1 LEU A1088 -0.184 -3.725 10.420 1.00 2.11 C ATOM 635 CD2 LEU A1088 1.001 -1.761 11.371 1.00 2.54 C ATOM 0 H LEU A1088 -2.943 -1.595 12.724 1.00 1.60 H new ATOM 0 HA LEU A1088 -0.758 0.044 12.049 1.00 1.41 H new ATOM 0 HB2 LEU A1088 -2.375 -2.165 10.730 1.00 1.44 H new ATOM 0 HB3 LEU A1088 -1.195 -1.296 9.769 1.00 1.44 H new ATOM 0 HG LEU A1088 -0.610 -2.814 12.336 1.00 1.70 H new ATOM 0 HD11 LEU A1088 0.606 -4.369 10.806 1.00 2.11 H new ATOM 0 HD12 LEU A1088 -1.123 -4.278 10.393 1.00 2.11 H new ATOM 0 HD13 LEU A1088 0.074 -3.399 9.412 1.00 2.11 H new ATOM 0 HD21 LEU A1088 1.774 -2.425 11.757 1.00 2.54 H new ATOM 0 HD22 LEU A1088 1.270 -1.437 10.366 1.00 2.54 H new ATOM 0 HD23 LEU A1088 0.912 -0.891 12.021 1.00 2.54 H new ATOM 647 N GLY A1089 -3.557 0.932 10.623 1.00 1.15 N ATOM 648 CA GLY A1089 -4.177 2.019 9.867 1.00 1.09 C ATOM 649 C GLY A1089 -3.898 3.385 10.495 1.00 1.09 C ATOM 650 O GLY A1089 -3.437 4.318 9.829 1.00 1.08 O ATOM 0 H GLY A1089 -4.228 0.295 11.052 1.00 1.15 H new ATOM 0 HA2 GLY A1089 -3.803 2.008 8.843 1.00 1.09 H new ATOM 0 HA3 GLY A1089 -5.254 1.857 9.815 1.00 1.09 H new ATOM 654 N THR A1090 -4.069 3.485 11.816 1.00 1.18 N ATOM 655 CA THR A1090 -3.634 4.656 12.589 1.00 1.23 C ATOM 656 C THR A1090 -2.122 4.893 12.445 1.00 1.15 C ATOM 657 O THR A1090 -1.710 6.030 12.238 1.00 1.11 O ATOM 658 CB THR A1090 -4.037 4.518 14.065 1.00 1.46 C ATOM 659 OG1 THR A1090 -5.408 4.207 14.181 1.00 2.53 O ATOM 660 CG2 THR A1090 -3.834 5.816 14.838 1.00 2.31 C ATOM 0 H THR A1090 -4.511 2.760 12.380 1.00 1.18 H new ATOM 0 HA THR A1090 -4.141 5.531 12.182 1.00 1.23 H new ATOM 0 HB THR A1090 -3.406 3.728 14.472 1.00 1.46 H new ATOM 0 HG1 THR A1090 -5.645 4.121 15.128 1.00 2.53 H new ATOM 0 HG21 THR A1090 -4.132 5.671 15.876 1.00 2.31 H new ATOM 0 HG22 THR A1090 -2.783 6.102 14.798 1.00 2.31 H new ATOM 0 HG23 THR A1090 -4.442 6.604 14.393 1.00 2.31 H new ATOM 668 N ALA A1091 -1.289 3.844 12.448 1.00 1.17 N ATOM 669 CA ALA A1091 0.164 3.978 12.266 1.00 1.17 C ATOM 670 C ALA A1091 0.572 4.477 10.857 1.00 1.00 C ATOM 671 O ALA A1091 1.453 5.337 10.751 1.00 1.01 O ATOM 672 CB ALA A1091 0.840 2.647 12.617 1.00 1.31 C ATOM 0 H ALA A1091 -1.601 2.881 12.576 1.00 1.17 H new ATOM 0 HA ALA A1091 0.511 4.756 12.946 1.00 1.17 H new ATOM 0 HB1 ALA A1091 1.918 2.740 12.484 1.00 1.31 H new ATOM 0 HB2 ALA A1091 0.623 2.391 13.654 1.00 1.31 H new ATOM 0 HB3 ALA A1091 0.460 1.862 11.963 1.00 1.31 H new ATOM 678 N ILE A1092 -0.084 3.992 9.792 1.00 0.89 N ATOM 679 CA ILE A1092 0.106 4.438 8.396 1.00 0.78 C ATOM 680 C ILE A1092 -0.301 5.897 8.240 1.00 0.68 C ATOM 681 O ILE A1092 0.487 6.707 7.752 1.00 0.65 O ATOM 682 CB ILE A1092 -0.682 3.534 7.409 1.00 0.81 C ATOM 683 CG1 ILE A1092 0.165 2.273 7.137 1.00 0.89 C ATOM 684 CG2 ILE A1092 -1.069 4.245 6.087 1.00 0.99 C ATOM 685 CD1 ILE A1092 -0.545 1.252 6.245 1.00 0.94 C ATOM 0 H ILE A1092 -0.784 3.255 9.877 1.00 0.89 H new ATOM 0 HA ILE A1092 1.165 4.351 8.154 1.00 0.78 H new ATOM 0 HB ILE A1092 -1.633 3.271 7.873 1.00 0.81 H new ATOM 0 HG12 ILE A1092 1.103 2.568 6.666 1.00 0.89 H new ATOM 0 HG13 ILE A1092 0.419 1.802 8.087 1.00 0.89 H new ATOM 0 HG21 ILE A1092 -1.617 3.552 5.448 1.00 0.99 H new ATOM 0 HG22 ILE A1092 -1.697 5.108 6.308 1.00 0.99 H new ATOM 0 HG23 ILE A1092 -0.166 4.575 5.574 1.00 0.99 H new ATOM 0 HD11 ILE A1092 0.103 0.389 6.092 1.00 0.94 H new ATOM 0 HD12 ILE A1092 -1.470 0.931 6.725 1.00 0.94 H new ATOM 0 HD13 ILE A1092 -0.775 1.708 5.282 1.00 0.94 H new ATOM 697 N THR A1093 -1.520 6.239 8.661 1.00 0.70 N ATOM 698 CA THR A1093 -2.029 7.617 8.556 1.00 0.72 C ATOM 699 C THR A1093 -1.136 8.587 9.337 1.00 0.74 C ATOM 700 O THR A1093 -0.750 9.615 8.785 1.00 0.75 O ATOM 701 CB THR A1093 -3.493 7.739 9.003 1.00 0.83 C ATOM 702 OG1 THR A1093 -3.669 7.230 10.303 1.00 2.47 O ATOM 703 CG2 THR A1093 -4.480 7.009 8.104 1.00 2.00 C ATOM 0 H THR A1093 -2.178 5.582 9.080 1.00 0.70 H new ATOM 0 HA THR A1093 -1.999 7.887 7.500 1.00 0.72 H new ATOM 0 HB THR A1093 -3.701 8.808 8.954 1.00 0.83 H new ATOM 0 HG1 THR A1093 -3.598 6.253 10.284 1.00 2.47 H new ATOM 0 HG21 THR A1093 -5.491 7.144 8.488 1.00 2.00 H new ATOM 0 HG22 THR A1093 -4.419 7.413 7.093 1.00 2.00 H new ATOM 0 HG23 THR A1093 -4.238 5.946 8.086 1.00 2.00 H new ATOM 711 N LYS A1094 -0.698 8.225 10.554 1.00 0.80 N ATOM 712 CA LYS A1094 0.258 9.006 11.359 1.00 0.87 C ATOM 713 C LYS A1094 1.633 9.178 10.700 1.00 0.83 C ATOM 714 O LYS A1094 2.167 10.285 10.751 1.00 0.89 O ATOM 715 CB LYS A1094 0.391 8.387 12.763 1.00 1.04 C ATOM 716 CG LYS A1094 -0.810 8.756 13.652 1.00 1.45 C ATOM 717 CD LYS A1094 -0.825 8.017 14.998 1.00 2.01 C ATOM 718 CE LYS A1094 0.299 8.438 15.945 1.00 2.64 C ATOM 719 NZ LYS A1094 0.119 7.832 17.284 1.00 3.12 N ATOM 0 H LYS A1094 -1.003 7.367 11.014 1.00 0.80 H new ATOM 0 HA LYS A1094 -0.152 10.013 11.438 1.00 0.87 H new ATOM 0 HB2 LYS A1094 0.465 7.303 12.679 1.00 1.04 H new ATOM 0 HB3 LYS A1094 1.313 8.734 13.230 1.00 1.04 H new ATOM 0 HG2 LYS A1094 -0.799 9.830 13.836 1.00 1.45 H new ATOM 0 HG3 LYS A1094 -1.732 8.534 13.114 1.00 1.45 H new ATOM 0 HD2 LYS A1094 -1.784 8.191 15.487 1.00 2.01 H new ATOM 0 HD3 LYS A1094 -0.751 6.945 14.814 1.00 2.01 H new ATOM 0 HE2 LYS A1094 1.261 8.135 15.531 1.00 2.64 H new ATOM 0 HE3 LYS A1094 0.318 9.524 16.033 1.00 2.64 H new ATOM 0 HZ1 LYS A1094 0.894 8.133 17.908 1.00 3.12 H new ATOM 0 HZ2 LYS A1094 -0.789 8.141 17.686 1.00 3.12 H new ATOM 0 HZ3 LYS A1094 0.125 6.795 17.200 1.00 3.12 H new ATOM 733 N TYR A1095 2.196 8.147 10.061 1.00 0.79 N ATOM 734 CA TYR A1095 3.444 8.275 9.288 1.00 0.79 C ATOM 735 C TYR A1095 3.260 9.207 8.078 1.00 0.74 C ATOM 736 O TYR A1095 4.032 10.156 7.901 1.00 0.80 O ATOM 737 CB TYR A1095 3.944 6.886 8.840 1.00 0.81 C ATOM 738 CG TYR A1095 4.918 6.933 7.669 1.00 0.88 C ATOM 739 CD1 TYR A1095 6.252 7.340 7.865 1.00 1.55 C ATOM 740 CD2 TYR A1095 4.455 6.665 6.364 1.00 2.19 C ATOM 741 CE1 TYR A1095 7.120 7.491 6.763 1.00 1.57 C ATOM 742 CE2 TYR A1095 5.311 6.841 5.259 1.00 2.51 C ATOM 743 CZ TYR A1095 6.646 7.256 5.455 1.00 1.52 C ATOM 744 OH TYR A1095 7.460 7.429 4.378 1.00 1.95 O ATOM 0 H TYR A1095 1.805 7.205 10.062 1.00 0.79 H new ATOM 0 HA TYR A1095 4.198 8.722 9.936 1.00 0.79 H new ATOM 0 HB2 TYR A1095 4.428 6.394 9.684 1.00 0.81 H new ATOM 0 HB3 TYR A1095 3.086 6.273 8.563 1.00 0.81 H new ATOM 0 HD1 TYR A1095 6.612 7.537 8.864 1.00 1.55 H new ATOM 0 HD2 TYR A1095 3.442 6.324 6.211 1.00 2.19 H new ATOM 0 HE1 TYR A1095 8.147 7.786 6.921 1.00 1.57 H new ATOM 0 HE2 TYR A1095 4.945 6.658 4.260 1.00 2.51 H new ATOM 0 HH TYR A1095 6.966 7.221 3.558 1.00 1.95 H new ATOM 754 N CYS A1096 2.219 8.953 7.275 1.00 0.68 N ATOM 755 CA CYS A1096 1.941 9.665 6.031 1.00 0.70 C ATOM 756 C CYS A1096 1.645 11.143 6.293 1.00 0.71 C ATOM 757 O CYS A1096 2.363 11.993 5.782 1.00 0.77 O ATOM 758 CB CYS A1096 0.809 8.944 5.279 1.00 0.77 C ATOM 759 SG CYS A1096 0.377 9.879 3.781 1.00 2.30 S ATOM 0 H CYS A1096 1.532 8.228 7.482 1.00 0.68 H new ATOM 0 HA CYS A1096 2.824 9.653 5.392 1.00 0.70 H new ATOM 0 HB2 CYS A1096 1.122 7.935 5.012 1.00 0.77 H new ATOM 0 HB3 CYS A1096 -0.065 8.847 5.923 1.00 0.77 H new ATOM 0 HG CYS A1096 0.275 9.063 2.774 1.00 2.30 H new ATOM 765 N LYS A1097 0.680 11.477 7.157 1.00 0.74 N ATOM 766 CA LYS A1097 0.297 12.867 7.467 1.00 0.85 C ATOM 767 C LYS A1097 1.483 13.692 7.989 1.00 0.84 C ATOM 768 O LYS A1097 1.619 14.858 7.628 1.00 0.92 O ATOM 769 CB LYS A1097 -0.887 12.801 8.455 1.00 0.97 C ATOM 770 CG LYS A1097 -1.639 14.110 8.743 1.00 1.71 C ATOM 771 CD LYS A1097 -0.858 15.126 9.597 1.00 1.79 C ATOM 772 CE LYS A1097 -1.742 15.742 10.693 1.00 2.76 C ATOM 773 NZ LYS A1097 -0.946 16.041 11.905 1.00 2.85 N ATOM 0 H LYS A1097 0.134 10.784 7.669 1.00 0.74 H new ATOM 0 HA LYS A1097 -0.013 13.393 6.564 1.00 0.85 H new ATOM 0 HB2 LYS A1097 -1.606 12.076 8.072 1.00 0.97 H new ATOM 0 HB3 LYS A1097 -0.515 12.411 9.402 1.00 0.97 H new ATOM 0 HG2 LYS A1097 -1.901 14.579 7.795 1.00 1.71 H new ATOM 0 HG3 LYS A1097 -2.574 13.872 9.250 1.00 1.71 H new ATOM 0 HD2 LYS A1097 0.000 14.634 10.055 1.00 1.79 H new ATOM 0 HD3 LYS A1097 -0.468 15.917 8.956 1.00 1.79 H new ATOM 0 HE2 LYS A1097 -2.205 16.656 10.322 1.00 2.76 H new ATOM 0 HE3 LYS A1097 -2.550 15.055 10.944 1.00 2.76 H new ATOM 0 HZ1 LYS A1097 -1.563 16.456 12.632 1.00 2.85 H new ATOM 0 HZ2 LYS A1097 -0.525 15.163 12.269 1.00 2.85 H new ATOM 0 HZ3 LYS A1097 -0.190 16.715 11.667 1.00 2.85 H new ATOM 787 N GLN A1098 2.389 13.084 8.761 1.00 0.80 N ATOM 788 CA GLN A1098 3.617 13.737 9.231 1.00 0.85 C ATOM 789 C GLN A1098 4.640 13.950 8.092 1.00 0.79 C ATOM 790 O GLN A1098 5.283 15.001 8.040 1.00 0.86 O ATOM 791 CB GLN A1098 4.162 12.924 10.422 1.00 0.95 C ATOM 792 CG GLN A1098 5.183 13.665 11.303 1.00 1.54 C ATOM 793 CD GLN A1098 6.602 13.732 10.749 1.00 2.57 C ATOM 794 OE1 GLN A1098 6.967 13.087 9.770 1.00 3.12 O ATOM 795 NE2 GLN A1098 7.453 14.527 11.354 1.00 3.84 N ATOM 0 H GLN A1098 2.292 12.120 9.080 1.00 0.80 H new ATOM 0 HA GLN A1098 3.400 14.748 9.576 1.00 0.85 H new ATOM 0 HB2 GLN A1098 3.323 12.615 11.046 1.00 0.95 H new ATOM 0 HB3 GLN A1098 4.627 12.015 10.040 1.00 0.95 H new ATOM 0 HG2 GLN A1098 4.826 14.682 11.465 1.00 1.54 H new ATOM 0 HG3 GLN A1098 5.215 13.180 12.278 1.00 1.54 H new ATOM 0 HE21 GLN A1098 7.157 15.066 12.168 1.00 3.84 H new ATOM 0 HE22 GLN A1098 8.410 14.606 11.010 1.00 3.84 H new ATOM 804 N GLU A1099 4.751 13.013 7.140 1.00 0.77 N ATOM 805 CA GLU A1099 5.536 13.154 5.897 1.00 0.86 C ATOM 806 C GLU A1099 4.904 14.160 4.908 1.00 0.94 C ATOM 807 O GLU A1099 5.632 14.845 4.192 1.00 1.07 O ATOM 808 CB GLU A1099 5.738 11.756 5.274 1.00 1.02 C ATOM 809 CG GLU A1099 6.580 11.698 3.988 1.00 1.31 C ATOM 810 CD GLU A1099 8.046 12.101 4.179 1.00 1.35 C ATOM 811 OE1 GLU A1099 8.841 11.360 4.803 1.00 1.95 O ATOM 812 OE2 GLU A1099 8.487 13.144 3.642 1.00 1.97 O ATOM 0 H GLU A1099 4.285 12.108 7.212 1.00 0.77 H new ATOM 0 HA GLU A1099 6.511 13.576 6.140 1.00 0.86 H new ATOM 0 HB2 GLU A1099 6.207 11.114 6.019 1.00 1.02 H new ATOM 0 HB3 GLU A1099 4.757 11.332 5.060 1.00 1.02 H new ATOM 0 HG2 GLU A1099 6.542 10.685 3.588 1.00 1.31 H new ATOM 0 HG3 GLU A1099 6.129 12.352 3.242 1.00 1.31 H new ATOM 819 N LEU A1100 3.577 14.335 4.900 1.00 0.96 N ATOM 820 CA LEU A1100 2.899 15.424 4.178 1.00 1.09 C ATOM 821 C LEU A1100 3.138 16.776 4.869 1.00 1.17 C ATOM 822 O LEU A1100 3.245 17.815 4.212 1.00 1.46 O ATOM 823 CB LEU A1100 1.376 15.174 4.114 1.00 1.07 C ATOM 824 CG LEU A1100 0.876 13.896 3.424 1.00 1.08 C ATOM 825 CD1 LEU A1100 -0.654 13.880 3.413 1.00 1.22 C ATOM 826 CD2 LEU A1100 1.379 13.819 1.994 1.00 1.23 C ATOM 0 H LEU A1100 2.935 13.719 5.399 1.00 0.96 H new ATOM 0 HA LEU A1100 3.314 15.449 3.170 1.00 1.09 H new ATOM 0 HB2 LEU A1100 0.997 15.170 5.136 1.00 1.07 H new ATOM 0 HB3 LEU A1100 0.920 16.025 3.608 1.00 1.07 H new ATOM 0 HG LEU A1100 1.257 13.039 3.980 1.00 1.08 H new ATOM 0 HD11 LEU A1100 -1.005 12.972 2.923 1.00 1.22 H new ATOM 0 HD12 LEU A1100 -1.026 13.906 4.437 1.00 1.22 H new ATOM 0 HD13 LEU A1100 -1.023 14.751 2.871 1.00 1.22 H new ATOM 0 HD21 LEU A1100 1.011 12.905 1.528 1.00 1.23 H new ATOM 0 HD22 LEU A1100 1.019 14.682 1.435 1.00 1.23 H new ATOM 0 HD23 LEU A1100 2.469 13.814 1.991 1.00 1.23 H new ATOM 838 N ASP A1101 3.228 16.755 6.201 1.00 1.06 N ATOM 839 CA ASP A1101 3.248 17.912 7.099 1.00 1.16 C ATOM 840 C ASP A1101 2.008 18.815 6.941 1.00 1.36 C ATOM 841 O ASP A1101 2.100 20.047 6.957 1.00 1.72 O ATOM 842 CB ASP A1101 4.592 18.644 6.981 1.00 1.36 C ATOM 843 CG ASP A1101 4.908 19.592 8.131 1.00 1.34 C ATOM 844 OD1 ASP A1101 4.268 19.525 9.203 1.00 2.51 O ATOM 845 OD2 ASP A1101 5.827 20.424 7.942 1.00 2.12 O ATOM 0 H ASP A1101 3.293 15.875 6.713 1.00 1.06 H new ATOM 0 HA ASP A1101 3.173 17.558 8.127 1.00 1.16 H new ATOM 0 HB2 ASP A1101 5.388 17.903 6.911 1.00 1.36 H new ATOM 0 HB3 ASP A1101 4.601 19.210 6.050 1.00 1.36 H new ATOM 850 N THR A1102 0.837 18.202 6.731 1.00 1.29 N ATOM 851 CA THR A1102 -0.454 18.905 6.680 1.00 1.49 C ATOM 852 C THR A1102 -1.619 18.039 7.150 1.00 1.91 C ATOM 853 O THR A1102 -1.682 16.854 6.839 1.00 2.71 O ATOM 854 CB THR A1102 -0.720 19.465 5.277 1.00 2.14 C ATOM 855 OG1 THR A1102 -1.873 20.266 5.312 1.00 2.34 O ATOM 856 CG2 THR A1102 -0.894 18.436 4.165 1.00 2.92 C ATOM 0 H THR A1102 0.756 17.195 6.590 1.00 1.29 H new ATOM 0 HA THR A1102 -0.382 19.738 7.380 1.00 1.49 H new ATOM 0 HB THR A1102 0.183 20.022 5.027 1.00 2.14 H new ATOM 0 HG1 THR A1102 -2.496 19.973 4.615 1.00 2.34 H new ATOM 0 HG21 THR A1102 -1.076 18.948 3.220 1.00 2.92 H new ATOM 0 HG22 THR A1102 0.010 17.833 4.082 1.00 2.92 H new ATOM 0 HG23 THR A1102 -1.741 17.790 4.397 1.00 2.92 H new ATOM 864 N GLU A1103 -2.585 18.632 7.856 1.00 1.71 N ATOM 865 CA GLU A1103 -3.839 17.963 8.246 1.00 2.23 C ATOM 866 C GLU A1103 -4.874 17.864 7.105 1.00 2.63 C ATOM 867 O GLU A1103 -6.004 17.415 7.324 1.00 3.10 O ATOM 868 CB GLU A1103 -4.445 18.645 9.485 1.00 2.44 C ATOM 869 CG GLU A1103 -4.978 20.061 9.202 1.00 2.55 C ATOM 870 CD GLU A1103 -5.947 20.514 10.295 1.00 3.21 C ATOM 871 OE1 GLU A1103 -7.077 19.968 10.380 1.00 4.19 O ATOM 872 OE2 GLU A1103 -5.595 21.418 11.087 1.00 3.39 O ATOM 0 H GLU A1103 -2.523 19.598 8.178 1.00 1.71 H new ATOM 0 HA GLU A1103 -3.575 16.934 8.491 1.00 2.23 H new ATOM 0 HB2 GLU A1103 -5.258 18.029 9.869 1.00 2.44 H new ATOM 0 HB3 GLU A1103 -3.688 18.699 10.268 1.00 2.44 H new ATOM 0 HG2 GLU A1103 -4.144 20.760 9.138 1.00 2.55 H new ATOM 0 HG3 GLU A1103 -5.482 20.077 8.236 1.00 2.55 H new ATOM 879 N THR A1104 -4.529 18.332 5.904 1.00 2.62 N ATOM 880 CA THR A1104 -5.441 18.469 4.760 1.00 3.12 C ATOM 881 C THR A1104 -5.519 17.179 3.948 1.00 2.62 C ATOM 882 O THR A1104 -4.925 17.057 2.871 1.00 2.91 O ATOM 883 CB THR A1104 -5.075 19.694 3.904 1.00 3.85 C ATOM 884 OG1 THR A1104 -3.777 19.553 3.370 1.00 5.00 O ATOM 885 CG2 THR A1104 -5.084 20.989 4.717 1.00 2.76 C ATOM 0 H THR A1104 -3.579 18.636 5.691 1.00 2.62 H new ATOM 0 HA THR A1104 -6.445 18.646 5.145 1.00 3.12 H new ATOM 0 HB THR A1104 -5.826 19.749 3.116 1.00 3.85 H new ATOM 0 HG1 THR A1104 -3.703 18.688 2.915 1.00 5.00 H new ATOM 0 HG21 THR A1104 -4.820 21.826 4.071 1.00 2.76 H new ATOM 0 HG22 THR A1104 -6.079 21.151 5.132 1.00 2.76 H new ATOM 0 HG23 THR A1104 -4.360 20.914 5.528 1.00 2.76 H new ATOM 893 N LEU A1105 -6.217 16.200 4.523 1.00 2.06 N ATOM 894 CA LEU A1105 -6.520 14.894 3.942 1.00 1.48 C ATOM 895 C LEU A1105 -7.816 14.292 4.522 1.00 1.27 C ATOM 896 O LEU A1105 -8.204 14.545 5.667 1.00 1.66 O ATOM 897 CB LEU A1105 -5.320 13.932 4.093 1.00 1.19 C ATOM 898 CG LEU A1105 -5.136 13.277 5.471 1.00 1.38 C ATOM 899 CD1 LEU A1105 -3.979 12.284 5.407 1.00 1.19 C ATOM 900 CD2 LEU A1105 -4.870 14.286 6.571 1.00 2.27 C ATOM 0 H LEU A1105 -6.608 16.304 5.459 1.00 2.06 H new ATOM 0 HA LEU A1105 -6.696 15.040 2.876 1.00 1.48 H new ATOM 0 HB2 LEU A1105 -5.421 13.141 3.350 1.00 1.19 H new ATOM 0 HB3 LEU A1105 -4.410 14.481 3.852 1.00 1.19 H new ATOM 0 HG LEU A1105 -6.070 12.771 5.716 1.00 1.38 H new ATOM 0 HD11 LEU A1105 -3.846 11.817 6.383 1.00 1.19 H new ATOM 0 HD12 LEU A1105 -4.199 11.517 4.665 1.00 1.19 H new ATOM 0 HD13 LEU A1105 -3.065 12.808 5.127 1.00 1.19 H new ATOM 0 HD21 LEU A1105 -4.749 13.765 7.521 1.00 2.27 H new ATOM 0 HD22 LEU A1105 -3.960 14.842 6.343 1.00 2.27 H new ATOM 0 HD23 LEU A1105 -5.710 14.978 6.641 1.00 2.27 H new ATOM 912 N GLY A1106 -8.434 13.424 3.729 1.00 0.98 N ATOM 913 CA GLY A1106 -9.566 12.558 4.087 1.00 1.05 C ATOM 914 C GLY A1106 -10.504 12.290 2.908 1.00 1.18 C ATOM 915 O GLY A1106 -11.294 13.159 2.536 1.00 2.06 O ATOM 0 H GLY A1106 -8.145 13.294 2.759 1.00 0.98 H new ATOM 0 HA2 GLY A1106 -9.186 11.609 4.466 1.00 1.05 H new ATOM 0 HA3 GLY A1106 -10.130 13.021 4.896 1.00 1.05 H new ATOM 919 N THR A1107 -10.424 11.089 2.331 1.00 0.76 N ATOM 920 CA THR A1107 -11.054 10.689 1.071 1.00 0.90 C ATOM 921 C THR A1107 -12.063 9.553 1.263 1.00 0.77 C ATOM 922 O THR A1107 -11.721 8.542 1.887 1.00 0.83 O ATOM 923 CB THR A1107 -9.964 10.196 0.110 1.00 1.14 C ATOM 924 OG1 THR A1107 -9.219 9.159 0.716 1.00 1.11 O ATOM 925 CG2 THR A1107 -8.971 11.288 -0.285 1.00 1.49 C ATOM 0 H THR A1107 -9.890 10.329 2.753 1.00 0.76 H new ATOM 0 HA THR A1107 -11.583 11.556 0.676 1.00 0.90 H new ATOM 0 HB THR A1107 -10.488 9.857 -0.784 1.00 1.14 H new ATOM 0 HG1 THR A1107 -9.777 8.699 1.378 1.00 1.11 H new ATOM 0 HG21 THR A1107 -8.227 10.874 -0.965 1.00 1.49 H new ATOM 0 HG22 THR A1107 -9.502 12.101 -0.780 1.00 1.49 H new ATOM 0 HG23 THR A1107 -8.475 11.669 0.608 1.00 1.49 H new ATOM 933 N CYS A1108 -13.251 9.652 0.659 1.00 0.90 N ATOM 934 CA CYS A1108 -14.219 8.548 0.606 1.00 0.88 C ATOM 935 C CYS A1108 -13.648 7.321 -0.134 1.00 0.75 C ATOM 936 O CYS A1108 -12.904 7.473 -1.108 1.00 0.78 O ATOM 937 CB CYS A1108 -15.548 9.023 0.006 1.00 1.08 C ATOM 938 SG CYS A1108 -16.267 10.332 1.039 1.00 1.78 S ATOM 0 H CYS A1108 -13.571 10.500 0.192 1.00 0.90 H new ATOM 0 HA CYS A1108 -14.418 8.223 1.627 1.00 0.88 H new ATOM 0 HB2 CYS A1108 -15.387 9.395 -1.006 1.00 1.08 H new ATOM 0 HB3 CYS A1108 -16.242 8.186 -0.069 1.00 1.08 H new ATOM 0 HG CYS A1108 -17.391 10.727 0.519 1.00 1.78 H new ATOM 944 N ILE A1109 -13.965 6.118 0.368 1.00 0.71 N ATOM 945 CA ILE A1109 -13.366 4.833 0.008 1.00 0.67 C ATOM 946 C ILE A1109 -14.390 3.690 0.024 1.00 0.68 C ATOM 947 O ILE A1109 -14.949 3.342 1.066 1.00 0.90 O ATOM 948 CB ILE A1109 -12.166 4.488 0.923 1.00 0.69 C ATOM 949 CG1 ILE A1109 -12.426 4.827 2.412 1.00 1.42 C ATOM 950 CG2 ILE A1109 -10.902 5.183 0.390 1.00 1.24 C ATOM 951 CD1 ILE A1109 -11.324 4.351 3.354 1.00 1.48 C ATOM 0 H ILE A1109 -14.690 6.015 1.078 1.00 0.71 H new ATOM 0 HA ILE A1109 -13.002 4.940 -1.014 1.00 0.67 H new ATOM 0 HB ILE A1109 -12.020 3.408 0.895 1.00 0.69 H new ATOM 0 HG12 ILE A1109 -12.538 5.906 2.515 1.00 1.42 H new ATOM 0 HG13 ILE A1109 -13.371 4.378 2.717 1.00 1.42 H new ATOM 0 HG21 ILE A1109 -10.056 4.942 1.033 1.00 1.24 H new ATOM 0 HG22 ILE A1109 -10.698 4.839 -0.624 1.00 1.24 H new ATOM 0 HG23 ILE A1109 -11.056 6.262 0.383 1.00 1.24 H new ATOM 0 HD11 ILE A1109 -11.577 4.625 4.378 1.00 1.48 H new ATOM 0 HD12 ILE A1109 -11.226 3.268 3.282 1.00 1.48 H new ATOM 0 HD13 ILE A1109 -10.380 4.820 3.076 1.00 1.48 H new ATOM 963 N ASP A1110 -14.571 3.024 -1.115 1.00 0.64 N ATOM 964 CA ASP A1110 -15.354 1.784 -1.232 1.00 0.70 C ATOM 965 C ASP A1110 -14.531 0.566 -0.760 1.00 0.67 C ATOM 966 O ASP A1110 -14.091 -0.256 -1.557 1.00 0.65 O ATOM 967 CB ASP A1110 -15.841 1.641 -2.682 1.00 0.83 C ATOM 968 CG ASP A1110 -16.755 0.431 -2.833 1.00 0.96 C ATOM 969 OD1 ASP A1110 -17.686 0.308 -2.010 1.00 1.73 O ATOM 970 OD2 ASP A1110 -16.532 -0.427 -3.719 1.00 2.03 O ATOM 0 H ASP A1110 -14.172 3.332 -2.002 1.00 0.64 H new ATOM 0 HA ASP A1110 -16.227 1.830 -0.581 1.00 0.70 H new ATOM 0 HB2 ASP A1110 -16.374 2.544 -2.981 1.00 0.83 H new ATOM 0 HB3 ASP A1110 -14.985 1.540 -3.349 1.00 0.83 H new ATOM 975 N PHE A1111 -14.237 0.483 0.535 1.00 0.73 N ATOM 976 CA PHE A1111 -13.255 -0.449 1.100 1.00 0.73 C ATOM 977 C PHE A1111 -13.778 -1.901 1.208 1.00 0.75 C ATOM 978 O PHE A1111 -14.696 -2.173 1.985 1.00 0.90 O ATOM 979 CB PHE A1111 -12.818 0.147 2.450 1.00 0.83 C ATOM 980 CG PHE A1111 -11.437 -0.235 2.944 1.00 0.86 C ATOM 981 CD1 PHE A1111 -10.328 0.560 2.596 1.00 1.93 C ATOM 982 CD2 PHE A1111 -11.265 -1.311 3.833 1.00 1.27 C ATOM 983 CE1 PHE A1111 -9.070 0.310 3.165 1.00 1.99 C ATOM 984 CE2 PHE A1111 -9.997 -1.582 4.377 1.00 1.27 C ATOM 985 CZ PHE A1111 -8.904 -0.756 4.065 1.00 1.00 C ATOM 0 H PHE A1111 -14.682 1.072 1.239 1.00 0.73 H new ATOM 0 HA PHE A1111 -12.398 -0.549 0.434 1.00 0.73 H new ATOM 0 HB2 PHE A1111 -12.864 1.233 2.374 1.00 0.83 H new ATOM 0 HB3 PHE A1111 -13.545 -0.151 3.206 1.00 0.83 H new ATOM 0 HD1 PHE A1111 -10.446 1.366 1.887 1.00 1.93 H new ATOM 0 HD2 PHE A1111 -12.109 -1.931 4.099 1.00 1.27 H new ATOM 0 HE1 PHE A1111 -8.229 0.938 2.911 1.00 1.99 H new ATOM 0 HE2 PHE A1111 -9.863 -2.427 5.036 1.00 1.27 H new ATOM 0 HZ PHE A1111 -7.940 -0.940 4.515 1.00 1.00 H new ATOM 995 N GLN A1112 -13.180 -2.828 0.449 1.00 0.68 N ATOM 996 CA GLN A1112 -13.428 -4.282 0.450 1.00 0.69 C ATOM 997 C GLN A1112 -12.197 -5.031 1.001 1.00 0.73 C ATOM 998 O GLN A1112 -11.065 -4.626 0.729 1.00 0.83 O ATOM 999 CB GLN A1112 -13.713 -4.778 -0.983 1.00 0.70 C ATOM 1000 CG GLN A1112 -14.838 -4.062 -1.748 1.00 1.29 C ATOM 1001 CD GLN A1112 -16.236 -4.365 -1.220 1.00 1.67 C ATOM 1002 OE1 GLN A1112 -16.844 -3.596 -0.483 1.00 2.75 O ATOM 1003 NE2 GLN A1112 -16.815 -5.490 -1.578 1.00 2.46 N ATOM 0 H GLN A1112 -12.462 -2.569 -0.228 1.00 0.68 H new ATOM 0 HA GLN A1112 -14.293 -4.480 1.083 1.00 0.69 H new ATOM 0 HB2 GLN A1112 -12.795 -4.688 -1.564 1.00 0.70 H new ATOM 0 HB3 GLN A1112 -13.956 -5.839 -0.934 1.00 0.70 H new ATOM 0 HG2 GLN A1112 -14.668 -2.986 -1.701 1.00 1.29 H new ATOM 0 HG3 GLN A1112 -14.788 -4.347 -2.799 1.00 1.29 H new ATOM 0 HE21 GLN A1112 -16.326 -6.143 -2.190 1.00 2.46 H new ATOM 0 HE22 GLN A1112 -17.753 -5.710 -1.243 1.00 2.46 H new ATOM 1012 N VAL A1113 -12.389 -6.137 1.737 1.00 0.82 N ATOM 1013 CA VAL A1113 -11.306 -6.805 2.502 1.00 0.90 C ATOM 1014 C VAL A1113 -11.332 -8.334 2.372 1.00 1.00 C ATOM 1015 O VAL A1113 -12.369 -8.962 2.609 1.00 1.15 O ATOM 1016 CB VAL A1113 -11.380 -6.414 3.999 1.00 1.08 C ATOM 1017 CG1 VAL A1113 -10.246 -7.040 4.822 1.00 1.25 C ATOM 1018 CG2 VAL A1113 -11.313 -4.893 4.198 1.00 1.11 C ATOM 0 H VAL A1113 -13.295 -6.598 1.823 1.00 0.82 H new ATOM 0 HA VAL A1113 -10.368 -6.458 2.069 1.00 0.90 H new ATOM 0 HB VAL A1113 -12.340 -6.796 4.346 1.00 1.08 H new ATOM 0 HG11 VAL A1113 -10.342 -6.736 5.864 1.00 1.25 H new ATOM 0 HG12 VAL A1113 -10.304 -8.126 4.754 1.00 1.25 H new ATOM 0 HG13 VAL A1113 -9.285 -6.703 4.433 1.00 1.25 H new ATOM 0 HG21 VAL A1113 -11.368 -4.662 5.262 1.00 1.11 H new ATOM 0 HG22 VAL A1113 -10.375 -4.514 3.793 1.00 1.11 H new ATOM 0 HG23 VAL A1113 -12.149 -4.421 3.681 1.00 1.11 H new ATOM 1028 N VAL A1114 -10.177 -8.943 2.071 1.00 1.02 N ATOM 1029 CA VAL A1114 -9.952 -10.401 2.115 1.00 1.29 C ATOM 1030 C VAL A1114 -8.718 -10.777 2.973 1.00 1.34 C ATOM 1031 O VAL A1114 -7.585 -10.405 2.637 1.00 1.15 O ATOM 1032 CB VAL A1114 -9.946 -11.024 0.702 1.00 1.31 C ATOM 1033 CG1 VAL A1114 -8.955 -10.397 -0.284 1.00 1.97 C ATOM 1034 CG2 VAL A1114 -9.723 -12.540 0.764 1.00 3.07 C ATOM 0 H VAL A1114 -9.348 -8.424 1.782 1.00 1.02 H new ATOM 0 HA VAL A1114 -10.803 -10.850 2.628 1.00 1.29 H new ATOM 0 HB VAL A1114 -10.938 -10.803 0.309 1.00 1.31 H new ATOM 0 HG11 VAL A1114 -9.028 -10.904 -1.246 1.00 1.97 H new ATOM 0 HG12 VAL A1114 -9.189 -9.340 -0.413 1.00 1.97 H new ATOM 0 HG13 VAL A1114 -7.942 -10.500 0.104 1.00 1.97 H new ATOM 0 HG21 VAL A1114 -9.724 -12.950 -0.246 1.00 3.07 H new ATOM 0 HG22 VAL A1114 -8.764 -12.748 1.239 1.00 3.07 H new ATOM 0 HG23 VAL A1114 -10.522 -13.002 1.343 1.00 3.07 H new ATOM 1044 N PRO A1115 -8.897 -11.528 4.084 1.00 1.74 N ATOM 1045 CA PRO A1115 -7.796 -11.950 4.953 1.00 1.90 C ATOM 1046 C PRO A1115 -6.751 -12.826 4.250 1.00 1.68 C ATOM 1047 O PRO A1115 -7.073 -13.656 3.394 1.00 1.88 O ATOM 1048 CB PRO A1115 -8.435 -12.690 6.131 1.00 2.44 C ATOM 1049 CG PRO A1115 -9.843 -12.109 6.192 1.00 2.56 C ATOM 1050 CD PRO A1115 -10.165 -11.866 4.721 1.00 2.17 C ATOM 0 HA PRO A1115 -7.237 -11.072 5.276 1.00 1.90 H new ATOM 0 HB2 PRO A1115 -8.452 -13.767 5.967 1.00 2.44 H new ATOM 0 HB3 PRO A1115 -7.889 -12.517 7.058 1.00 2.44 H new ATOM 0 HG2 PRO A1115 -10.548 -12.801 6.653 1.00 2.56 H new ATOM 0 HG3 PRO A1115 -9.877 -11.187 6.772 1.00 2.56 H new ATOM 0 HD2 PRO A1115 -10.606 -12.753 4.266 1.00 2.17 H new ATOM 0 HD3 PRO A1115 -10.887 -11.057 4.608 1.00 2.17 H new ATOM 1058 N GLY A1116 -5.483 -12.641 4.621 1.00 1.86 N ATOM 1059 CA GLY A1116 -4.328 -13.358 4.070 1.00 1.84 C ATOM 1060 C GLY A1116 -3.955 -13.000 2.623 1.00 1.52 C ATOM 1061 O GLY A1116 -2.997 -13.577 2.103 1.00 1.77 O ATOM 0 H GLY A1116 -5.221 -11.965 5.338 1.00 1.86 H new ATOM 0 HA2 GLY A1116 -3.465 -13.165 4.707 1.00 1.84 H new ATOM 0 HA3 GLY A1116 -4.529 -14.428 4.121 1.00 1.84 H new ATOM 1065 N CYS A1117 -4.687 -12.081 1.974 1.00 1.21 N ATOM 1066 CA CYS A1117 -4.518 -11.717 0.560 1.00 0.97 C ATOM 1067 C CYS A1117 -4.445 -10.197 0.312 1.00 0.78 C ATOM 1068 O CYS A1117 -3.453 -9.748 -0.269 1.00 0.78 O ATOM 1069 CB CYS A1117 -5.640 -12.373 -0.258 1.00 1.04 C ATOM 1070 SG CYS A1117 -5.301 -14.142 -0.479 1.00 1.56 S ATOM 0 H CYS A1117 -5.433 -11.557 2.432 1.00 1.21 H new ATOM 0 HA CYS A1117 -3.549 -12.095 0.234 1.00 0.97 H new ATOM 0 HB2 CYS A1117 -6.596 -12.239 0.249 1.00 1.04 H new ATOM 0 HB3 CYS A1117 -5.723 -11.887 -1.230 1.00 1.04 H new ATOM 0 HG CYS A1117 -6.259 -14.684 -1.171 1.00 1.56 H new ATOM 1076 N GLY A1118 -5.438 -9.404 0.749 1.00 0.72 N ATOM 1077 CA GLY A1118 -5.390 -7.943 0.588 1.00 0.71 C ATOM 1078 C GLY A1118 -6.712 -7.160 0.643 1.00 0.67 C ATOM 1079 O GLY A1118 -7.749 -7.640 1.104 1.00 0.73 O ATOM 0 H GLY A1118 -6.278 -9.749 1.213 1.00 0.72 H new ATOM 0 HA2 GLY A1118 -4.735 -7.544 1.363 1.00 0.71 H new ATOM 0 HA3 GLY A1118 -4.917 -7.729 -0.370 1.00 0.71 H new ATOM 1083 N ILE A1119 -6.630 -5.914 0.169 1.00 0.64 N ATOM 1084 CA ILE A1119 -7.651 -4.854 0.175 1.00 0.65 C ATOM 1085 C ILE A1119 -7.922 -4.389 -1.266 1.00 0.54 C ATOM 1086 O ILE A1119 -7.004 -4.372 -2.089 1.00 0.76 O ATOM 1087 CB ILE A1119 -7.165 -3.636 1.010 1.00 0.85 C ATOM 1088 CG1 ILE A1119 -6.457 -3.980 2.342 1.00 1.39 C ATOM 1089 CG2 ILE A1119 -8.297 -2.630 1.268 1.00 0.80 C ATOM 1090 CD1 ILE A1119 -7.302 -4.732 3.375 1.00 1.11 C ATOM 0 H ILE A1119 -5.769 -5.588 -0.270 1.00 0.64 H new ATOM 0 HA ILE A1119 -8.562 -5.255 0.618 1.00 0.65 H new ATOM 0 HB ILE A1119 -6.402 -3.184 0.376 1.00 0.85 H new ATOM 0 HG12 ILE A1119 -5.575 -4.579 2.118 1.00 1.39 H new ATOM 0 HG13 ILE A1119 -6.106 -3.053 2.794 1.00 1.39 H new ATOM 0 HG21 ILE A1119 -7.915 -1.795 1.855 1.00 0.80 H new ATOM 0 HG22 ILE A1119 -8.679 -2.260 0.316 1.00 0.80 H new ATOM 0 HG23 ILE A1119 -9.101 -3.120 1.816 1.00 0.80 H new ATOM 0 HD11 ILE A1119 -6.704 -4.919 4.267 1.00 1.11 H new ATOM 0 HD12 ILE A1119 -8.172 -4.131 3.641 1.00 1.11 H new ATOM 0 HD13 ILE A1119 -7.632 -5.681 2.953 1.00 1.11 H new ATOM 1102 N SER A1120 -9.144 -3.937 -1.557 1.00 0.72 N ATOM 1103 CA SER A1120 -9.498 -3.241 -2.807 1.00 0.65 C ATOM 1104 C SER A1120 -10.460 -2.088 -2.497 1.00 0.62 C ATOM 1105 O SER A1120 -11.346 -2.239 -1.655 1.00 0.67 O ATOM 1106 CB SER A1120 -10.093 -4.220 -3.823 1.00 0.63 C ATOM 1107 OG SER A1120 -10.345 -3.568 -5.056 1.00 1.39 O ATOM 0 H SER A1120 -9.934 -4.044 -0.921 1.00 0.72 H new ATOM 0 HA SER A1120 -8.597 -2.823 -3.256 1.00 0.65 H new ATOM 0 HB2 SER A1120 -9.407 -5.052 -3.979 1.00 0.63 H new ATOM 0 HB3 SER A1120 -11.020 -4.640 -3.432 1.00 0.63 H new ATOM 0 HG SER A1120 -10.723 -4.209 -5.694 1.00 1.39 H new ATOM 1113 N CYS A1121 -10.258 -0.911 -3.097 1.00 0.59 N ATOM 1114 CA CYS A1121 -11.083 0.274 -2.844 1.00 0.63 C ATOM 1115 C CYS A1121 -11.318 1.174 -4.073 1.00 0.63 C ATOM 1116 O CYS A1121 -10.545 1.144 -5.036 1.00 0.66 O ATOM 1117 CB CYS A1121 -10.510 1.028 -1.629 1.00 0.75 C ATOM 1118 SG CYS A1121 -8.968 1.875 -2.059 1.00 0.94 S ATOM 0 H CYS A1121 -9.513 -0.753 -3.776 1.00 0.59 H new ATOM 0 HA CYS A1121 -12.091 -0.068 -2.610 1.00 0.63 H new ATOM 0 HB2 CYS A1121 -11.240 1.754 -1.270 1.00 0.75 H new ATOM 0 HB3 CYS A1121 -10.329 0.327 -0.814 1.00 0.75 H new ATOM 0 HG CYS A1121 -8.512 2.502 -1.016 1.00 0.94 H new ATOM 1124 N LYS A1122 -12.356 2.026 -4.011 1.00 0.67 N ATOM 1125 CA LYS A1122 -12.582 3.115 -4.980 1.00 0.78 C ATOM 1126 C LYS A1122 -12.402 4.404 -4.193 1.00 0.85 C ATOM 1127 O LYS A1122 -13.086 4.543 -3.181 1.00 1.16 O ATOM 1128 CB LYS A1122 -13.998 3.069 -5.602 1.00 0.86 C ATOM 1129 CG LYS A1122 -14.420 1.764 -6.302 1.00 1.23 C ATOM 1130 CD LYS A1122 -13.538 1.424 -7.507 1.00 1.15 C ATOM 1131 CE LYS A1122 -14.135 0.321 -8.395 1.00 1.50 C ATOM 1132 NZ LYS A1122 -14.211 -1.000 -7.722 1.00 2.42 N ATOM 0 H LYS A1122 -13.068 1.979 -3.282 1.00 0.67 H new ATOM 0 HA LYS A1122 -11.886 3.029 -5.815 1.00 0.78 H new ATOM 0 HB2 LYS A1122 -14.720 3.277 -4.812 1.00 0.86 H new ATOM 0 HB3 LYS A1122 -14.075 3.880 -6.326 1.00 0.86 H new ATOM 0 HG2 LYS A1122 -14.380 0.944 -5.585 1.00 1.23 H new ATOM 0 HG3 LYS A1122 -15.456 1.851 -6.629 1.00 1.23 H new ATOM 0 HD2 LYS A1122 -13.387 2.323 -8.105 1.00 1.15 H new ATOM 0 HD3 LYS A1122 -12.556 1.107 -7.154 1.00 1.15 H new ATOM 0 HE2 LYS A1122 -15.135 0.619 -8.709 1.00 1.50 H new ATOM 0 HE3 LYS A1122 -13.533 0.226 -9.299 1.00 1.50 H new ATOM 0 HZ1 LYS A1122 -14.622 -1.699 -8.374 1.00 2.42 H new ATOM 0 HZ2 LYS A1122 -13.256 -1.304 -7.446 1.00 2.42 H new ATOM 0 HZ3 LYS A1122 -14.809 -0.924 -6.874 1.00 2.42 H new ATOM 1146 N VAL A1123 -11.515 5.307 -4.601 1.00 0.69 N ATOM 1147 CA VAL A1123 -11.134 6.505 -3.831 1.00 0.69 C ATOM 1148 C VAL A1123 -11.390 7.792 -4.616 1.00 0.75 C ATOM 1149 O VAL A1123 -11.202 7.833 -5.834 1.00 0.81 O ATOM 1150 CB VAL A1123 -9.692 6.389 -3.286 1.00 0.69 C ATOM 1151 CG1 VAL A1123 -8.611 6.448 -4.363 1.00 1.16 C ATOM 1152 CG2 VAL A1123 -9.386 7.464 -2.237 1.00 1.07 C ATOM 0 H VAL A1123 -11.026 5.232 -5.493 1.00 0.69 H new ATOM 0 HA VAL A1123 -11.783 6.564 -2.957 1.00 0.69 H new ATOM 0 HB VAL A1123 -9.661 5.398 -2.832 1.00 0.69 H new ATOM 0 HG11 VAL A1123 -7.629 6.360 -3.898 1.00 1.16 H new ATOM 0 HG12 VAL A1123 -8.754 5.628 -5.067 1.00 1.16 H new ATOM 0 HG13 VAL A1123 -8.677 7.398 -4.893 1.00 1.16 H new ATOM 0 HG21 VAL A1123 -8.363 7.345 -1.882 1.00 1.07 H new ATOM 0 HG22 VAL A1123 -9.502 8.452 -2.683 1.00 1.07 H new ATOM 0 HG23 VAL A1123 -10.075 7.361 -1.399 1.00 1.07 H new ATOM 1162 N THR A1124 -11.821 8.846 -3.920 1.00 0.78 N ATOM 1163 CA THR A1124 -12.207 10.140 -4.521 1.00 0.90 C ATOM 1164 C THR A1124 -11.780 11.298 -3.608 1.00 0.92 C ATOM 1165 O THR A1124 -11.174 11.055 -2.571 1.00 0.93 O ATOM 1166 CB THR A1124 -13.721 10.138 -4.806 1.00 1.02 C ATOM 1167 OG1 THR A1124 -14.078 11.274 -5.556 1.00 1.17 O ATOM 1168 CG2 THR A1124 -14.580 10.119 -3.543 1.00 1.07 C ATOM 0 H THR A1124 -11.916 8.832 -2.905 1.00 0.78 H new ATOM 0 HA THR A1124 -11.691 10.282 -5.471 1.00 0.90 H new ATOM 0 HB THR A1124 -13.914 9.219 -5.359 1.00 1.02 H new ATOM 0 HG1 THR A1124 -15.042 11.260 -5.732 1.00 1.17 H new ATOM 0 HG21 THR A1124 -15.634 10.119 -3.820 1.00 1.07 H new ATOM 0 HG22 THR A1124 -14.356 9.223 -2.964 1.00 1.07 H new ATOM 0 HG23 THR A1124 -14.363 11.002 -2.942 1.00 1.07 H new ATOM 1176 N ASN A1125 -12.062 12.561 -3.946 1.00 1.07 N ATOM 1177 CA ASN A1125 -11.794 13.732 -3.086 1.00 1.12 C ATOM 1178 C ASN A1125 -10.287 13.996 -2.810 1.00 1.47 C ATOM 1179 O ASN A1125 -9.929 14.634 -1.818 1.00 1.78 O ATOM 1180 CB ASN A1125 -12.672 13.644 -1.809 1.00 1.14 C ATOM 1181 CG ASN A1125 -14.176 13.713 -2.051 1.00 2.12 C ATOM 1182 OD1 ASN A1125 -14.669 14.097 -3.106 1.00 2.91 O ATOM 1183 ND2 ASN A1125 -14.969 13.331 -1.085 1.00 2.81 N ATOM 0 H ASN A1125 -12.490 12.808 -4.838 1.00 1.07 H new ATOM 0 HA ASN A1125 -12.087 14.626 -3.636 1.00 1.12 H new ATOM 0 HB2 ASN A1125 -12.445 12.710 -1.295 1.00 1.14 H new ATOM 0 HB3 ASN A1125 -12.390 14.455 -1.137 1.00 1.14 H new ATOM 0 HD21 ASN A1125 -15.980 13.355 -1.216 1.00 2.81 H new ATOM 0 HD22 ASN A1125 -14.577 13.009 -0.200 1.00 2.81 H new ATOM 1951 N GLN A1177 -11.246 10.205 -9.789 1.00 1.94 N ATOM 1952 CA GLN A1177 -11.603 9.015 -9.024 1.00 1.49 C ATOM 1953 C GLN A1177 -10.718 7.830 -9.457 1.00 1.27 C ATOM 1954 O GLN A1177 -10.537 7.603 -10.659 1.00 1.44 O ATOM 1955 CB GLN A1177 -13.089 8.759 -9.258 1.00 1.69 C ATOM 1956 CG GLN A1177 -13.659 7.601 -8.438 1.00 1.68 C ATOM 1957 CD GLN A1177 -15.019 7.248 -8.979 1.00 2.08 C ATOM 1958 OE1 GLN A1177 -15.204 6.254 -9.677 1.00 2.88 O ATOM 1959 NE2 GLN A1177 -15.985 8.094 -8.759 1.00 2.14 N ATOM 0 HA GLN A1177 -11.430 9.150 -7.956 1.00 1.49 H new ATOM 0 HB2 GLN A1177 -13.645 9.666 -9.021 1.00 1.69 H new ATOM 0 HB3 GLN A1177 -13.249 8.554 -10.317 1.00 1.69 H new ATOM 0 HG2 GLN A1177 -12.996 6.738 -8.492 1.00 1.68 H new ATOM 0 HG3 GLN A1177 -13.732 7.882 -7.387 1.00 1.68 H new ATOM 0 HE21 GLN A1177 -15.821 8.916 -8.178 1.00 2.14 H new ATOM 0 HE22 GLN A1177 -16.906 7.934 -9.168 1.00 2.14 H new ATOM 1968 N TYR A1178 -10.176 7.085 -8.490 1.00 1.00 N ATOM 1969 CA TYR A1178 -9.209 5.996 -8.700 1.00 0.86 C ATOM 1970 C TYR A1178 -9.668 4.653 -8.099 1.00 0.69 C ATOM 1971 O TYR A1178 -10.269 4.622 -7.026 1.00 0.69 O ATOM 1972 CB TYR A1178 -7.862 6.393 -8.069 1.00 0.98 C ATOM 1973 CG TYR A1178 -7.138 7.601 -8.652 1.00 0.96 C ATOM 1974 CD1 TYR A1178 -6.681 7.608 -9.987 1.00 1.61 C ATOM 1975 CD2 TYR A1178 -6.858 8.703 -7.819 1.00 2.13 C ATOM 1976 CE1 TYR A1178 -5.945 8.707 -10.482 1.00 1.66 C ATOM 1977 CE2 TYR A1178 -6.128 9.803 -8.310 1.00 2.39 C ATOM 1978 CZ TYR A1178 -5.665 9.809 -9.642 1.00 1.49 C ATOM 1979 OH TYR A1178 -4.947 10.876 -10.091 1.00 1.86 O ATOM 0 H TYR A1178 -10.404 7.225 -7.506 1.00 1.00 H new ATOM 0 HA TYR A1178 -9.118 5.851 -9.776 1.00 0.86 H new ATOM 0 HB2 TYR A1178 -8.030 6.582 -7.009 1.00 0.98 H new ATOM 0 HB3 TYR A1178 -7.193 5.535 -8.138 1.00 0.98 H new ATOM 0 HD1 TYR A1178 -6.895 6.769 -10.633 1.00 1.61 H new ATOM 0 HD2 TYR A1178 -7.206 8.704 -6.797 1.00 2.13 H new ATOM 0 HE1 TYR A1178 -5.596 8.706 -11.504 1.00 1.66 H new ATOM 0 HE2 TYR A1178 -5.922 10.644 -7.665 1.00 2.39 H new ATOM 0 HH TYR A1178 -5.051 11.625 -9.468 1.00 1.86 H new ATOM 1989 N LYS A1179 -9.303 3.529 -8.731 1.00 0.65 N ATOM 1990 CA LYS A1179 -9.442 2.163 -8.184 1.00 0.61 C ATOM 1991 C LYS A1179 -8.081 1.666 -7.688 1.00 0.54 C ATOM 1992 O LYS A1179 -7.147 1.581 -8.483 1.00 0.56 O ATOM 1993 CB LYS A1179 -10.082 1.257 -9.251 1.00 0.76 C ATOM 1994 CG LYS A1179 -10.482 -0.136 -8.734 1.00 0.96 C ATOM 1995 CD LYS A1179 -9.438 -1.234 -8.976 1.00 1.51 C ATOM 1996 CE LYS A1179 -9.963 -2.611 -8.540 1.00 2.52 C ATOM 1997 NZ LYS A1179 -11.033 -3.120 -9.432 1.00 2.66 N ATOM 0 H LYS A1179 -8.891 3.540 -9.664 1.00 0.65 H new ATOM 0 HA LYS A1179 -10.105 2.150 -7.319 1.00 0.61 H new ATOM 0 HB2 LYS A1179 -10.967 1.753 -9.650 1.00 0.76 H new ATOM 0 HB3 LYS A1179 -9.383 1.139 -10.079 1.00 0.76 H new ATOM 0 HG2 LYS A1179 -10.677 -0.069 -7.664 1.00 0.96 H new ATOM 0 HG3 LYS A1179 -11.417 -0.431 -9.211 1.00 0.96 H new ATOM 0 HD2 LYS A1179 -9.174 -1.261 -10.033 1.00 1.51 H new ATOM 0 HD3 LYS A1179 -8.527 -0.999 -8.426 1.00 1.51 H new ATOM 0 HE2 LYS A1179 -9.138 -3.323 -8.525 1.00 2.52 H new ATOM 0 HE3 LYS A1179 -10.345 -2.545 -7.521 1.00 2.52 H new ATOM 0 HZ1 LYS A1179 -11.246 -4.109 -9.190 1.00 2.66 H new ATOM 0 HZ2 LYS A1179 -11.889 -2.542 -9.312 1.00 2.66 H new ATOM 0 HZ3 LYS A1179 -10.715 -3.067 -10.421 1.00 2.66 H new ATOM 2011 N VAL A1180 -7.958 1.350 -6.396 1.00 0.56 N ATOM 2012 CA VAL A1180 -6.668 1.084 -5.718 1.00 0.58 C ATOM 2013 C VAL A1180 -6.709 -0.227 -4.928 1.00 0.62 C ATOM 2014 O VAL A1180 -7.695 -0.512 -4.249 1.00 0.75 O ATOM 2015 CB VAL A1180 -6.276 2.253 -4.785 1.00 0.64 C ATOM 2016 CG1 VAL A1180 -4.848 2.106 -4.240 1.00 1.49 C ATOM 2017 CG2 VAL A1180 -6.382 3.621 -5.473 1.00 1.37 C ATOM 0 H VAL A1180 -8.761 1.268 -5.773 1.00 0.56 H new ATOM 0 HA VAL A1180 -5.911 0.991 -6.496 1.00 0.58 H new ATOM 0 HB VAL A1180 -6.992 2.207 -3.964 1.00 0.64 H new ATOM 0 HG11 VAL A1180 -4.618 2.950 -3.590 1.00 1.49 H new ATOM 0 HG12 VAL A1180 -4.769 1.179 -3.672 1.00 1.49 H new ATOM 0 HG13 VAL A1180 -4.142 2.084 -5.070 1.00 1.49 H new ATOM 0 HG21 VAL A1180 -6.095 4.404 -4.771 1.00 1.37 H new ATOM 0 HG22 VAL A1180 -5.718 3.646 -6.337 1.00 1.37 H new ATOM 0 HG23 VAL A1180 -7.409 3.785 -5.800 1.00 1.37 H new ATOM 2027 N LEU A1181 -5.635 -1.016 -5.005 1.00 0.57 N ATOM 2028 CA LEU A1181 -5.542 -2.380 -4.470 1.00 0.51 C ATOM 2029 C LEU A1181 -4.223 -2.569 -3.705 1.00 0.45 C ATOM 2030 O LEU A1181 -3.166 -2.166 -4.199 1.00 0.46 O ATOM 2031 CB LEU A1181 -5.670 -3.332 -5.674 1.00 0.75 C ATOM 2032 CG LEU A1181 -6.085 -4.784 -5.376 1.00 1.19 C ATOM 2033 CD1 LEU A1181 -6.628 -5.408 -6.659 1.00 1.84 C ATOM 2034 CD2 LEU A1181 -4.912 -5.662 -4.938 1.00 2.52 C ATOM 0 H LEU A1181 -4.773 -0.713 -5.458 1.00 0.57 H new ATOM 0 HA LEU A1181 -6.333 -2.589 -3.750 1.00 0.51 H new ATOM 0 HB2 LEU A1181 -6.397 -2.907 -6.366 1.00 0.75 H new ATOM 0 HB3 LEU A1181 -4.711 -3.353 -6.192 1.00 0.75 H new ATOM 0 HG LEU A1181 -6.818 -4.741 -4.571 1.00 1.19 H new ATOM 0 HD11 LEU A1181 -6.927 -6.438 -6.464 1.00 1.84 H new ATOM 0 HD12 LEU A1181 -7.491 -4.839 -7.003 1.00 1.84 H new ATOM 0 HD13 LEU A1181 -5.854 -5.393 -7.426 1.00 1.84 H new ATOM 0 HD21 LEU A1181 -5.268 -6.674 -4.742 1.00 2.52 H new ATOM 0 HD22 LEU A1181 -4.162 -5.688 -5.728 1.00 2.52 H new ATOM 0 HD23 LEU A1181 -4.469 -5.251 -4.031 1.00 2.52 H new ATOM 2046 N ILE A1182 -4.272 -3.185 -2.517 1.00 0.47 N ATOM 2047 CA ILE A1182 -3.094 -3.398 -1.658 1.00 0.49 C ATOM 2048 C ILE A1182 -3.060 -4.837 -1.124 1.00 0.51 C ATOM 2049 O ILE A1182 -3.960 -5.242 -0.388 1.00 0.67 O ATOM 2050 CB ILE A1182 -3.048 -2.389 -0.476 1.00 0.58 C ATOM 2051 CG1 ILE A1182 -3.214 -0.907 -0.893 1.00 0.60 C ATOM 2052 CG2 ILE A1182 -1.710 -2.536 0.274 1.00 0.73 C ATOM 2053 CD1 ILE A1182 -4.667 -0.407 -0.865 1.00 1.52 C ATOM 0 H ILE A1182 -5.136 -3.554 -2.119 1.00 0.47 H new ATOM 0 HA ILE A1182 -2.213 -3.229 -2.277 1.00 0.49 H new ATOM 0 HB ILE A1182 -3.900 -2.637 0.156 1.00 0.58 H new ATOM 0 HG12 ILE A1182 -2.614 -0.284 -0.229 1.00 0.60 H new ATOM 0 HG13 ILE A1182 -2.815 -0.777 -1.899 1.00 0.60 H new ATOM 0 HG21 ILE A1182 -1.678 -1.829 1.103 1.00 0.73 H new ATOM 0 HG22 ILE A1182 -1.619 -3.551 0.660 1.00 0.73 H new ATOM 0 HG23 ILE A1182 -0.886 -2.332 -0.409 1.00 0.73 H new ATOM 0 HD11 ILE A1182 -4.698 0.639 -1.170 1.00 1.52 H new ATOM 0 HD12 ILE A1182 -5.270 -1.003 -1.550 1.00 1.52 H new ATOM 0 HD13 ILE A1182 -5.065 -0.502 0.145 1.00 1.52 H new ATOM 2065 N GLY A1183 -2.017 -5.609 -1.433 1.00 0.52 N ATOM 2066 CA GLY A1183 -1.932 -7.024 -1.040 1.00 0.64 C ATOM 2067 C GLY A1183 -0.560 -7.659 -1.265 1.00 0.69 C ATOM 2068 O GLY A1183 0.361 -7.021 -1.772 1.00 0.90 O ATOM 0 H GLY A1183 -1.209 -5.277 -1.960 1.00 0.52 H new ATOM 0 HA2 GLY A1183 -2.191 -7.112 0.015 1.00 0.64 H new ATOM 0 HA3 GLY A1183 -2.677 -7.590 -1.600 1.00 0.64 H new ATOM 2072 N ASN A1184 -0.386 -8.919 -0.866 1.00 0.80 N ATOM 2073 CA ASN A1184 0.909 -9.598 -1.006 1.00 1.00 C ATOM 2074 C ASN A1184 1.232 -9.941 -2.480 1.00 0.88 C ATOM 2075 O ASN A1184 0.330 -10.057 -3.315 1.00 0.78 O ATOM 2076 CB ASN A1184 0.922 -10.831 -0.084 1.00 1.39 C ATOM 2077 CG ASN A1184 2.254 -11.558 -0.120 1.00 2.61 C ATOM 2078 OD1 ASN A1184 2.427 -12.533 -0.836 1.00 3.27 O ATOM 2079 ND2 ASN A1184 3.264 -11.037 0.536 1.00 4.01 N ATOM 0 H ASN A1184 -1.119 -9.490 -0.445 1.00 0.80 H new ATOM 0 HA ASN A1184 1.708 -8.925 -0.695 1.00 1.00 H new ATOM 0 HB2 ASN A1184 0.707 -10.521 0.938 1.00 1.39 H new ATOM 0 HB3 ASN A1184 0.128 -11.515 -0.383 1.00 1.39 H new ATOM 0 HD21 ASN A1184 4.194 -11.446 0.448 1.00 4.01 H new ATOM 0 HD22 ASN A1184 3.119 -10.223 1.133 1.00 4.01 H new ATOM 2086 N ARG A1185 2.520 -10.191 -2.781 1.00 1.02 N ATOM 2087 CA ARG A1185 3.008 -10.620 -4.111 1.00 0.90 C ATOM 2088 C ARG A1185 2.171 -11.767 -4.710 1.00 0.87 C ATOM 2089 O ARG A1185 1.874 -11.738 -5.902 1.00 0.84 O ATOM 2090 CB ARG A1185 4.509 -10.999 -4.078 1.00 1.04 C ATOM 2091 CG ARG A1185 4.925 -11.969 -2.956 1.00 1.46 C ATOM 2092 CD ARG A1185 6.371 -12.485 -3.088 1.00 1.72 C ATOM 2093 NE ARG A1185 6.545 -13.413 -4.225 1.00 2.23 N ATOM 2094 CZ ARG A1185 6.046 -14.634 -4.332 1.00 2.78 C ATOM 2095 NH1 ARG A1185 5.416 -15.220 -3.352 1.00 3.22 N ATOM 2096 NH2 ARG A1185 6.129 -15.280 -5.458 1.00 4.20 N ATOM 0 H ARG A1185 3.268 -10.099 -2.094 1.00 1.02 H new ATOM 0 HA ARG A1185 2.889 -9.757 -4.766 1.00 0.90 H new ATOM 0 HB2 ARG A1185 4.774 -11.445 -5.037 1.00 1.04 H new ATOM 0 HB3 ARG A1185 5.094 -10.085 -3.979 1.00 1.04 H new ATOM 0 HG2 ARG A1185 4.814 -11.468 -1.995 1.00 1.46 H new ATOM 0 HG3 ARG A1185 4.244 -12.820 -2.952 1.00 1.46 H new ATOM 0 HD2 ARG A1185 7.045 -11.637 -3.210 1.00 1.72 H new ATOM 0 HD3 ARG A1185 6.658 -12.990 -2.165 1.00 1.72 H new ATOM 0 HE ARG A1185 7.107 -13.078 -5.007 1.00 2.23 H new ATOM 0 HH11 ARG A1185 5.293 -14.736 -2.463 1.00 3.22 H new ATOM 0 HH12 ARG A1185 5.046 -16.163 -3.475 1.00 3.22 H new ATOM 0 HH21 ARG A1185 6.580 -14.846 -6.263 1.00 4.20 H new ATOM 0 HH22 ARG A1185 5.743 -16.221 -5.536 1.00 4.20 H new ATOM 2110 N GLU A1186 1.717 -12.715 -3.882 1.00 1.04 N ATOM 2111 CA GLU A1186 0.887 -13.854 -4.307 1.00 1.22 C ATOM 2112 C GLU A1186 -0.533 -13.465 -4.749 1.00 1.21 C ATOM 2113 O GLU A1186 -1.126 -14.180 -5.562 1.00 1.49 O ATOM 2114 CB GLU A1186 0.768 -14.889 -3.171 1.00 1.52 C ATOM 2115 CG GLU A1186 2.074 -15.617 -2.827 1.00 2.36 C ATOM 2116 CD GLU A1186 2.560 -16.618 -3.887 1.00 2.69 C ATOM 2117 OE1 GLU A1186 2.005 -16.701 -5.009 1.00 3.26 O ATOM 2118 OE2 GLU A1186 3.554 -17.337 -3.626 1.00 3.99 O ATOM 0 H GLU A1186 1.918 -12.715 -2.882 1.00 1.04 H new ATOM 0 HA GLU A1186 1.400 -14.271 -5.174 1.00 1.22 H new ATOM 0 HB2 GLU A1186 0.402 -14.386 -2.276 1.00 1.52 H new ATOM 0 HB3 GLU A1186 0.018 -15.629 -3.449 1.00 1.52 H new ATOM 0 HG2 GLU A1186 2.855 -14.874 -2.666 1.00 2.36 H new ATOM 0 HG3 GLU A1186 1.939 -16.147 -1.884 1.00 2.36 H new ATOM 2125 N TRP A1187 -1.105 -12.357 -4.262 1.00 1.08 N ATOM 2126 CA TRP A1187 -2.424 -11.880 -4.696 1.00 1.06 C ATOM 2127 C TRP A1187 -2.313 -10.904 -5.877 1.00 1.00 C ATOM 2128 O TRP A1187 -3.172 -10.902 -6.759 1.00 1.04 O ATOM 2129 CB TRP A1187 -3.173 -11.273 -3.498 1.00 1.05 C ATOM 2130 CG TRP A1187 -4.666 -11.218 -3.651 1.00 1.17 C ATOM 2131 CD1 TRP A1187 -5.441 -12.272 -3.993 1.00 2.33 C ATOM 2132 CD2 TRP A1187 -5.594 -10.106 -3.430 1.00 0.88 C ATOM 2133 NE1 TRP A1187 -6.764 -11.891 -4.029 1.00 2.67 N ATOM 2134 CE2 TRP A1187 -6.921 -10.560 -3.707 1.00 1.64 C ATOM 2135 CE3 TRP A1187 -5.460 -8.764 -3.013 1.00 1.44 C ATOM 2136 CZ2 TRP A1187 -8.042 -9.720 -3.625 1.00 1.63 C ATOM 2137 CZ3 TRP A1187 -6.582 -7.917 -2.903 1.00 1.69 C ATOM 2138 CH2 TRP A1187 -7.869 -8.384 -3.223 1.00 1.22 C ATOM 0 H TRP A1187 -0.666 -11.766 -3.556 1.00 1.08 H new ATOM 0 HA TRP A1187 -3.004 -12.726 -5.063 1.00 1.06 H new ATOM 0 HB2 TRP A1187 -2.934 -11.853 -2.607 1.00 1.05 H new ATOM 0 HB3 TRP A1187 -2.802 -10.262 -3.330 1.00 1.05 H new ATOM 0 HD1 TRP A1187 -5.076 -13.266 -4.206 1.00 2.33 H new ATOM 0 HE1 TRP A1187 -7.534 -12.517 -4.265 1.00 2.67 H new ATOM 0 HE3 TRP A1187 -4.480 -8.379 -2.774 1.00 1.44 H new ATOM 0 HZ2 TRP A1187 -9.025 -10.095 -3.868 1.00 1.63 H new ATOM 0 HZ3 TRP A1187 -6.451 -6.898 -2.569 1.00 1.69 H new ATOM 0 HH2 TRP A1187 -8.719 -7.721 -3.160 1.00 1.22 H new ATOM 2149 N MET A1188 -1.212 -10.149 -5.966 1.00 0.99 N ATOM 2150 CA MET A1188 -0.916 -9.268 -7.105 1.00 1.04 C ATOM 2151 C MET A1188 -0.792 -10.037 -8.428 1.00 1.06 C ATOM 2152 O MET A1188 -1.412 -9.644 -9.419 1.00 1.02 O ATOM 2153 CB MET A1188 0.359 -8.449 -6.820 1.00 1.13 C ATOM 2154 CG MET A1188 0.022 -7.003 -6.446 1.00 1.12 C ATOM 2155 SD MET A1188 -1.025 -6.791 -4.982 1.00 1.65 S ATOM 2156 CE MET A1188 -1.451 -5.045 -5.202 1.00 0.93 C ATOM 0 H MET A1188 -0.493 -10.131 -5.243 1.00 0.99 H new ATOM 0 HA MET A1188 -1.760 -8.588 -7.222 1.00 1.04 H new ATOM 0 HB2 MET A1188 0.919 -8.915 -6.009 1.00 1.13 H new ATOM 0 HB3 MET A1188 1.003 -8.458 -7.699 1.00 1.13 H new ATOM 0 HG2 MET A1188 0.955 -6.463 -6.284 1.00 1.12 H new ATOM 0 HG3 MET A1188 -0.474 -6.534 -7.296 1.00 1.12 H new ATOM 0 HE1 MET A1188 -2.100 -4.723 -4.388 1.00 0.93 H new ATOM 0 HE2 MET A1188 -0.541 -4.445 -5.199 1.00 0.93 H new ATOM 0 HE3 MET A1188 -1.969 -4.914 -6.152 1.00 0.93 H new ATOM 2166 N ILE A1189 -0.063 -11.160 -8.458 1.00 1.18 N ATOM 2167 CA ILE A1189 0.053 -11.971 -9.686 1.00 1.32 C ATOM 2168 C ILE A1189 -1.285 -12.613 -10.094 1.00 1.37 C ATOM 2169 O ILE A1189 -1.567 -12.718 -11.292 1.00 1.48 O ATOM 2170 CB ILE A1189 1.207 -12.997 -9.604 1.00 1.51 C ATOM 2171 CG1 ILE A1189 1.002 -14.049 -8.489 1.00 1.69 C ATOM 2172 CG2 ILE A1189 2.545 -12.243 -9.476 1.00 3.02 C ATOM 2173 CD1 ILE A1189 2.149 -15.062 -8.373 1.00 1.68 C ATOM 0 H ILE A1189 0.452 -11.528 -7.658 1.00 1.18 H new ATOM 0 HA ILE A1189 0.314 -11.282 -10.489 1.00 1.32 H new ATOM 0 HB ILE A1189 1.220 -13.577 -10.526 1.00 1.51 H new ATOM 0 HG12 ILE A1189 0.886 -13.535 -7.535 1.00 1.69 H new ATOM 0 HG13 ILE A1189 0.073 -14.587 -8.677 1.00 1.69 H new ATOM 0 HG21 ILE A1189 3.363 -12.961 -9.418 1.00 3.02 H new ATOM 0 HG22 ILE A1189 2.686 -11.602 -10.346 1.00 3.02 H new ATOM 0 HG23 ILE A1189 2.533 -11.632 -8.573 1.00 3.02 H new ATOM 0 HD11 ILE A1189 1.932 -15.766 -7.570 1.00 1.68 H new ATOM 0 HD12 ILE A1189 2.252 -15.604 -9.313 1.00 1.68 H new ATOM 0 HD13 ILE A1189 3.078 -14.536 -8.154 1.00 1.68 H new ATOM 2185 N ARG A1190 -2.144 -12.939 -9.114 1.00 1.37 N ATOM 2186 CA ARG A1190 -3.525 -13.425 -9.299 1.00 1.48 C ATOM 2187 C ARG A1190 -4.479 -12.330 -9.797 1.00 1.36 C ATOM 2188 O ARG A1190 -5.358 -12.626 -10.610 1.00 1.44 O ATOM 2189 CB ARG A1190 -3.979 -14.100 -7.989 1.00 1.70 C ATOM 2190 CG ARG A1190 -5.461 -14.497 -7.908 1.00 1.68 C ATOM 2191 CD ARG A1190 -5.936 -15.443 -9.017 1.00 2.81 C ATOM 2192 NE ARG A1190 -7.385 -15.675 -8.885 1.00 2.56 N ATOM 2193 CZ ARG A1190 -8.244 -16.070 -9.803 1.00 3.31 C ATOM 2194 NH1 ARG A1190 -7.891 -16.402 -11.007 1.00 4.65 N ATOM 2195 NH2 ARG A1190 -9.505 -16.121 -9.505 1.00 3.18 N ATOM 0 H ARG A1190 -1.886 -12.869 -8.130 1.00 1.37 H new ATOM 0 HA ARG A1190 -3.550 -14.167 -10.097 1.00 1.48 H new ATOM 0 HB2 ARG A1190 -3.376 -14.995 -7.838 1.00 1.70 H new ATOM 0 HB3 ARG A1190 -3.760 -13.425 -7.162 1.00 1.70 H new ATOM 0 HG2 ARG A1190 -5.643 -14.971 -6.943 1.00 1.68 H new ATOM 0 HG3 ARG A1190 -6.067 -13.592 -7.938 1.00 1.68 H new ATOM 0 HD2 ARG A1190 -5.714 -15.014 -9.994 1.00 2.81 H new ATOM 0 HD3 ARG A1190 -5.399 -16.390 -8.955 1.00 2.81 H new ATOM 0 HE ARG A1190 -7.776 -15.507 -7.958 1.00 2.56 H new ATOM 0 HH11 ARG A1190 -6.909 -16.364 -11.279 1.00 4.65 H new ATOM 0 HH12 ARG A1190 -8.596 -16.701 -11.681 1.00 4.65 H new ATOM 0 HH21 ARG A1190 -9.819 -15.857 -8.571 1.00 3.18 H new ATOM 0 HH22 ARG A1190 -10.182 -16.425 -10.204 1.00 3.18 H new ATOM 2209 N ASN A1191 -4.287 -11.065 -9.411 1.00 1.24 N ATOM 2210 CA ASN A1191 -5.027 -9.923 -9.974 1.00 1.21 C ATOM 2211 C ASN A1191 -4.846 -9.750 -11.499 1.00 1.11 C ATOM 2212 O ASN A1191 -5.682 -9.100 -12.127 1.00 1.33 O ATOM 2213 CB ASN A1191 -4.612 -8.622 -9.246 1.00 1.10 C ATOM 2214 CG ASN A1191 -5.558 -7.472 -9.569 1.00 1.21 C ATOM 2215 OD1 ASN A1191 -6.670 -7.408 -9.069 1.00 1.35 O ATOM 2216 ND2 ASN A1191 -5.189 -6.548 -10.428 1.00 1.69 N ATOM 0 H ASN A1191 -3.611 -10.799 -8.695 1.00 1.24 H new ATOM 0 HA ASN A1191 -6.084 -10.134 -9.814 1.00 1.21 H new ATOM 0 HB2 ASN A1191 -4.602 -8.794 -8.170 1.00 1.10 H new ATOM 0 HB3 ASN A1191 -3.597 -8.351 -9.535 1.00 1.10 H new ATOM 0 HD21 ASN A1191 -5.829 -5.791 -10.669 1.00 1.69 H new ATOM 0 HD22 ASN A1191 -4.263 -6.588 -10.854 1.00 1.69 H new ATOM 2223 N GLY A1192 -3.778 -10.306 -12.085 1.00 1.05 N ATOM 2224 CA GLY A1192 -3.384 -10.088 -13.485 1.00 1.08 C ATOM 2225 C GLY A1192 -2.219 -9.105 -13.668 1.00 0.96 C ATOM 2226 O GLY A1192 -1.952 -8.677 -14.787 1.00 1.12 O ATOM 0 H GLY A1192 -3.148 -10.935 -11.588 1.00 1.05 H new ATOM 0 HA2 GLY A1192 -3.108 -11.046 -13.926 1.00 1.08 H new ATOM 0 HA3 GLY A1192 -4.246 -9.718 -14.040 1.00 1.08 H new ATOM 2230 N LEU A1193 -1.526 -8.738 -12.584 1.00 0.80 N ATOM 2231 CA LEU A1193 -0.311 -7.911 -12.610 1.00 0.72 C ATOM 2232 C LEU A1193 0.949 -8.793 -12.728 1.00 0.85 C ATOM 2233 O LEU A1193 0.872 -10.017 -12.584 1.00 1.28 O ATOM 2234 CB LEU A1193 -0.272 -7.051 -11.332 1.00 0.68 C ATOM 2235 CG LEU A1193 -1.452 -6.073 -11.183 1.00 0.78 C ATOM 2236 CD1 LEU A1193 -1.567 -5.602 -9.735 1.00 1.18 C ATOM 2237 CD2 LEU A1193 -1.281 -4.850 -12.077 1.00 0.94 C ATOM 0 H LEU A1193 -1.800 -9.014 -11.641 1.00 0.80 H new ATOM 0 HA LEU A1193 -0.329 -7.258 -13.483 1.00 0.72 H new ATOM 0 HB2 LEU A1193 -0.253 -7.712 -10.465 1.00 0.68 H new ATOM 0 HB3 LEU A1193 0.658 -6.483 -11.320 1.00 0.68 H new ATOM 0 HG LEU A1193 -2.354 -6.607 -11.481 1.00 0.78 H new ATOM 0 HD11 LEU A1193 -2.405 -4.911 -9.643 1.00 1.18 H new ATOM 0 HD12 LEU A1193 -1.732 -6.461 -9.085 1.00 1.18 H new ATOM 0 HD13 LEU A1193 -0.646 -5.097 -9.442 1.00 1.18 H new ATOM 0 HD21 LEU A1193 -2.132 -4.182 -11.946 1.00 0.94 H new ATOM 0 HD22 LEU A1193 -0.364 -4.327 -11.806 1.00 0.94 H new ATOM 0 HD23 LEU A1193 -1.225 -5.166 -13.119 1.00 0.94 H new ATOM 2249 N VAL A1194 2.123 -8.187 -12.931 1.00 0.93 N ATOM 2250 CA VAL A1194 3.423 -8.888 -12.913 1.00 1.07 C ATOM 2251 C VAL A1194 4.466 -8.152 -12.065 1.00 0.97 C ATOM 2252 O VAL A1194 4.566 -6.925 -12.110 1.00 1.07 O ATOM 2253 CB VAL A1194 3.913 -9.179 -14.345 1.00 1.37 C ATOM 2254 CG1 VAL A1194 4.364 -7.921 -15.093 1.00 1.48 C ATOM 2255 CG2 VAL A1194 5.049 -10.208 -14.349 1.00 2.05 C ATOM 0 H VAL A1194 2.205 -7.187 -13.115 1.00 0.93 H new ATOM 0 HA VAL A1194 3.274 -9.851 -12.425 1.00 1.07 H new ATOM 0 HB VAL A1194 3.050 -9.586 -14.872 1.00 1.37 H new ATOM 0 HG11 VAL A1194 4.697 -8.193 -16.095 1.00 1.48 H new ATOM 0 HG12 VAL A1194 3.531 -7.222 -15.165 1.00 1.48 H new ATOM 0 HG13 VAL A1194 5.186 -7.451 -14.552 1.00 1.48 H new ATOM 0 HG21 VAL A1194 5.371 -10.390 -15.374 1.00 2.05 H new ATOM 0 HG22 VAL A1194 5.888 -9.826 -13.768 1.00 2.05 H new ATOM 0 HG23 VAL A1194 4.697 -11.141 -13.908 1.00 2.05 H new ATOM 2265 N ILE A1195 5.238 -8.911 -11.281 1.00 1.01 N ATOM 2266 CA ILE A1195 6.301 -8.409 -10.399 1.00 0.97 C ATOM 2267 C ILE A1195 7.684 -8.520 -11.061 1.00 1.01 C ATOM 2268 O ILE A1195 7.907 -9.361 -11.933 1.00 1.17 O ATOM 2269 CB ILE A1195 6.226 -9.109 -9.018 1.00 1.14 C ATOM 2270 CG1 ILE A1195 7.070 -8.357 -7.963 1.00 1.32 C ATOM 2271 CG2 ILE A1195 6.633 -10.592 -9.099 1.00 1.33 C ATOM 2272 CD1 ILE A1195 6.805 -8.813 -6.520 1.00 1.98 C ATOM 0 H ILE A1195 5.138 -9.925 -11.240 1.00 1.01 H new ATOM 0 HA ILE A1195 6.144 -7.344 -10.227 1.00 0.97 H new ATOM 0 HB ILE A1195 5.184 -9.079 -8.701 1.00 1.14 H new ATOM 0 HG12 ILE A1195 8.127 -8.496 -8.190 1.00 1.32 H new ATOM 0 HG13 ILE A1195 6.865 -7.289 -8.041 1.00 1.32 H new ATOM 0 HG21 ILE A1195 6.566 -11.042 -8.109 1.00 1.33 H new ATOM 0 HG22 ILE A1195 5.965 -11.116 -9.782 1.00 1.33 H new ATOM 0 HG23 ILE A1195 7.657 -10.669 -9.464 1.00 1.33 H new ATOM 0 HD11 ILE A1195 7.433 -8.241 -5.837 1.00 1.98 H new ATOM 0 HD12 ILE A1195 5.756 -8.648 -6.273 1.00 1.98 H new ATOM 0 HD13 ILE A1195 7.038 -9.874 -6.425 1.00 1.98 H new ATOM 2284 N ASN A1196 8.623 -7.684 -10.616 1.00 0.95 N ATOM 2285 CA ASN A1196 10.020 -7.701 -11.059 1.00 1.02 C ATOM 2286 C ASN A1196 10.916 -8.454 -10.050 1.00 0.96 C ATOM 2287 O ASN A1196 10.677 -8.426 -8.841 1.00 0.88 O ATOM 2288 CB ASN A1196 10.457 -6.261 -11.367 1.00 1.14 C ATOM 2289 CG ASN A1196 9.556 -5.610 -12.409 1.00 1.35 C ATOM 2290 OD1 ASN A1196 9.112 -6.228 -13.369 1.00 2.24 O ATOM 2291 ND2 ASN A1196 9.228 -4.356 -12.213 1.00 1.56 N ATOM 0 H ASN A1196 8.431 -6.961 -9.923 1.00 0.95 H new ATOM 0 HA ASN A1196 10.129 -8.267 -11.984 1.00 1.02 H new ATOM 0 HB2 ASN A1196 10.439 -5.671 -10.451 1.00 1.14 H new ATOM 0 HB3 ASN A1196 11.486 -6.262 -11.725 1.00 1.14 H new ATOM 0 HD21 ASN A1196 8.598 -3.886 -12.863 1.00 1.56 H new ATOM 0 HD22 ASN A1196 9.603 -3.850 -11.411 1.00 1.56 H new ATOM 2298 N ASN A1197 11.963 -9.126 -10.528 1.00 1.08 N ATOM 2299 CA ASN A1197 12.754 -10.080 -9.738 1.00 1.09 C ATOM 2300 C ASN A1197 13.642 -9.428 -8.656 1.00 1.12 C ATOM 2301 O ASN A1197 13.938 -10.046 -7.632 1.00 1.17 O ATOM 2302 CB ASN A1197 13.579 -10.904 -10.733 1.00 1.27 C ATOM 2303 CG ASN A1197 14.120 -12.201 -10.156 1.00 1.65 C ATOM 2304 OD1 ASN A1197 13.430 -12.965 -9.490 1.00 2.11 O ATOM 2305 ND2 ASN A1197 15.364 -12.503 -10.417 1.00 2.32 N ATOM 0 H ASN A1197 12.293 -9.024 -11.488 1.00 1.08 H new ATOM 0 HA ASN A1197 12.075 -10.710 -9.164 1.00 1.09 H new ATOM 0 HB2 ASN A1197 12.961 -11.133 -11.601 1.00 1.27 H new ATOM 0 HB3 ASN A1197 14.414 -10.299 -11.087 1.00 1.27 H new ATOM 0 HD21 ASN A1197 15.762 -13.375 -10.067 1.00 2.32 H new ATOM 0 HD22 ASN A1197 15.938 -11.867 -10.971 1.00 2.32 H new ATOM 2312 N ASP A1198 14.034 -8.168 -8.862 1.00 1.16 N ATOM 2313 CA ASP A1198 14.859 -7.383 -7.931 1.00 1.25 C ATOM 2314 C ASP A1198 14.135 -7.115 -6.593 1.00 1.18 C ATOM 2315 O ASP A1198 14.676 -7.348 -5.507 1.00 1.24 O ATOM 2316 CB ASP A1198 15.233 -6.067 -8.633 1.00 1.36 C ATOM 2317 CG ASP A1198 16.220 -5.233 -7.819 1.00 1.66 C ATOM 2318 OD1 ASP A1198 17.286 -5.770 -7.443 1.00 2.53 O ATOM 2319 OD2 ASP A1198 15.926 -4.044 -7.548 1.00 2.43 O ATOM 0 H ASP A1198 13.781 -7.649 -9.703 1.00 1.16 H new ATOM 0 HA ASP A1198 15.756 -7.948 -7.676 1.00 1.25 H new ATOM 0 HB2 ASP A1198 15.667 -6.289 -9.608 1.00 1.36 H new ATOM 0 HB3 ASP A1198 14.329 -5.484 -8.811 1.00 1.36 H new ATOM 2324 N VAL A1199 12.893 -6.630 -6.692 1.00 1.11 N ATOM 2325 CA VAL A1199 11.951 -6.452 -5.573 1.00 1.06 C ATOM 2326 C VAL A1199 11.367 -7.771 -5.042 1.00 0.95 C ATOM 2327 O VAL A1199 11.154 -7.891 -3.834 1.00 0.91 O ATOM 2328 CB VAL A1199 10.864 -5.416 -5.932 1.00 1.12 C ATOM 2329 CG1 VAL A1199 10.063 -5.771 -7.189 1.00 1.58 C ATOM 2330 CG2 VAL A1199 9.886 -5.184 -4.777 1.00 1.65 C ATOM 0 H VAL A1199 12.498 -6.338 -7.586 1.00 1.11 H new ATOM 0 HA VAL A1199 12.526 -6.054 -4.737 1.00 1.06 H new ATOM 0 HB VAL A1199 11.421 -4.501 -6.135 1.00 1.12 H new ATOM 0 HG11 VAL A1199 9.319 -4.997 -7.377 1.00 1.58 H new ATOM 0 HG12 VAL A1199 10.737 -5.841 -8.042 1.00 1.58 H new ATOM 0 HG13 VAL A1199 9.562 -6.728 -7.043 1.00 1.58 H new ATOM 0 HG21 VAL A1199 9.139 -4.448 -5.075 1.00 1.65 H new ATOM 0 HG22 VAL A1199 9.391 -6.122 -4.525 1.00 1.65 H new ATOM 0 HG23 VAL A1199 10.431 -4.817 -3.907 1.00 1.65 H new ATOM 2340 N ASN A1200 11.149 -8.785 -5.890 1.00 0.96 N ATOM 2341 CA ASN A1200 10.629 -10.089 -5.449 1.00 0.92 C ATOM 2342 C ASN A1200 11.577 -10.781 -4.452 1.00 0.87 C ATOM 2343 O ASN A1200 11.118 -11.376 -3.475 1.00 0.85 O ATOM 2344 CB ASN A1200 10.364 -10.969 -6.681 1.00 1.04 C ATOM 2345 CG ASN A1200 9.739 -12.303 -6.309 1.00 1.16 C ATOM 2346 OD1 ASN A1200 8.546 -12.405 -6.054 1.00 1.40 O ATOM 2347 ND2 ASN A1200 10.518 -13.356 -6.236 1.00 1.52 N ATOM 0 H ASN A1200 11.326 -8.727 -6.893 1.00 0.96 H new ATOM 0 HA ASN A1200 9.692 -9.929 -4.915 1.00 0.92 H new ATOM 0 HB2 ASN A1200 9.704 -10.440 -7.369 1.00 1.04 H new ATOM 0 HB3 ASN A1200 11.301 -11.143 -7.209 1.00 1.04 H new ATOM 0 HD21 ASN A1200 10.130 -14.260 -5.967 1.00 1.52 H new ATOM 0 HD22 ASN A1200 11.512 -13.271 -6.449 1.00 1.52 H new ATOM 2354 N ASP A1201 12.892 -10.651 -4.651 1.00 0.94 N ATOM 2355 CA ASP A1201 13.908 -11.155 -3.721 1.00 0.96 C ATOM 2356 C ASP A1201 13.864 -10.435 -2.364 1.00 0.90 C ATOM 2357 O ASP A1201 13.822 -11.088 -1.323 1.00 0.97 O ATOM 2358 CB ASP A1201 15.284 -10.998 -4.371 1.00 1.20 C ATOM 2359 CG ASP A1201 16.369 -11.712 -3.569 1.00 1.34 C ATOM 2360 OD1 ASP A1201 16.559 -12.931 -3.791 1.00 2.07 O ATOM 2361 OD2 ASP A1201 17.049 -11.060 -2.738 1.00 2.09 O ATOM 0 H ASP A1201 13.285 -10.188 -5.470 1.00 0.94 H new ATOM 0 HA ASP A1201 13.703 -12.206 -3.519 1.00 0.96 H new ATOM 0 HB2 ASP A1201 15.256 -11.399 -5.384 1.00 1.20 H new ATOM 0 HB3 ASP A1201 15.529 -9.939 -4.454 1.00 1.20 H new ATOM 2366 N PHE A1202 13.788 -9.098 -2.368 1.00 0.92 N ATOM 2367 CA PHE A1202 13.690 -8.294 -1.143 1.00 0.91 C ATOM 2368 C PHE A1202 12.426 -8.627 -0.335 1.00 0.77 C ATOM 2369 O PHE A1202 12.495 -8.758 0.890 1.00 0.80 O ATOM 2370 CB PHE A1202 13.749 -6.799 -1.509 1.00 1.02 C ATOM 2371 CG PHE A1202 13.451 -5.857 -0.353 1.00 1.10 C ATOM 2372 CD1 PHE A1202 14.231 -5.908 0.818 1.00 2.15 C ATOM 2373 CD2 PHE A1202 12.371 -4.952 -0.427 1.00 1.61 C ATOM 2374 CE1 PHE A1202 13.913 -5.095 1.920 1.00 2.26 C ATOM 2375 CE2 PHE A1202 12.059 -4.132 0.674 1.00 1.69 C ATOM 2376 CZ PHE A1202 12.824 -4.209 1.852 1.00 1.39 C ATOM 0 H PHE A1202 13.793 -8.542 -3.223 1.00 0.92 H new ATOM 0 HA PHE A1202 14.536 -8.537 -0.500 1.00 0.91 H new ATOM 0 HB2 PHE A1202 14.741 -6.572 -1.900 1.00 1.02 H new ATOM 0 HB3 PHE A1202 13.038 -6.606 -2.312 1.00 1.02 H new ATOM 0 HD1 PHE A1202 15.078 -6.575 0.870 1.00 2.15 H new ATOM 0 HD2 PHE A1202 11.782 -4.888 -1.330 1.00 1.61 H new ATOM 0 HE1 PHE A1202 14.507 -5.151 2.820 1.00 2.26 H new ATOM 0 HE2 PHE A1202 11.230 -3.442 0.614 1.00 1.69 H new ATOM 0 HZ PHE A1202 12.575 -3.590 2.701 1.00 1.39 H new ATOM 2386 N MET A1203 11.294 -8.828 -1.020 1.00 0.70 N ATOM 2387 CA MET A1203 10.027 -9.227 -0.402 1.00 0.67 C ATOM 2388 C MET A1203 10.071 -10.668 0.132 1.00 0.77 C ATOM 2389 O MET A1203 9.636 -10.907 1.257 1.00 0.88 O ATOM 2390 CB MET A1203 8.883 -9.006 -1.404 1.00 0.73 C ATOM 2391 CG MET A1203 7.519 -9.269 -0.753 1.00 1.86 C ATOM 2392 SD MET A1203 6.071 -8.624 -1.641 1.00 1.49 S ATOM 2393 CE MET A1203 6.271 -6.838 -1.378 1.00 1.87 C ATOM 0 H MET A1203 11.233 -8.716 -2.032 1.00 0.70 H new ATOM 0 HA MET A1203 9.848 -8.600 0.472 1.00 0.67 H new ATOM 0 HB2 MET A1203 8.918 -7.984 -1.781 1.00 0.73 H new ATOM 0 HB3 MET A1203 9.014 -9.667 -2.261 1.00 0.73 H new ATOM 0 HG2 MET A1203 7.397 -10.346 -0.635 1.00 1.86 H new ATOM 0 HG3 MET A1203 7.528 -8.837 0.248 1.00 1.86 H new ATOM 0 HE1 MET A1203 5.464 -6.471 -0.744 1.00 1.87 H new ATOM 0 HE2 MET A1203 7.229 -6.646 -0.894 1.00 1.87 H new ATOM 0 HE3 MET A1203 6.240 -6.323 -2.338 1.00 1.87 H new ATOM 2403 N THR A1204 10.657 -11.604 -0.623 1.00 0.83 N ATOM 2404 CA THR A1204 10.871 -12.997 -0.183 1.00 0.95 C ATOM 2405 C THR A1204 11.697 -13.044 1.102 1.00 0.93 C ATOM 2406 O THR A1204 11.306 -13.668 2.085 1.00 1.02 O ATOM 2407 CB THR A1204 11.585 -13.818 -1.273 1.00 1.11 C ATOM 2408 OG1 THR A1204 10.803 -13.864 -2.452 1.00 1.69 O ATOM 2409 CG2 THR A1204 11.841 -15.261 -0.840 1.00 1.33 C ATOM 0 H THR A1204 11.001 -11.419 -1.565 1.00 0.83 H new ATOM 0 HA THR A1204 9.889 -13.431 0.006 1.00 0.95 H new ATOM 0 HB THR A1204 12.538 -13.320 -1.451 1.00 1.11 H new ATOM 0 HG1 THR A1204 10.971 -13.061 -2.987 1.00 1.69 H new ATOM 0 HG21 THR A1204 12.346 -15.798 -1.643 1.00 1.33 H new ATOM 0 HG22 THR A1204 12.468 -15.268 0.051 1.00 1.33 H new ATOM 0 HG23 THR A1204 10.891 -15.749 -0.619 1.00 1.33 H new ATOM 2417 N GLU A1205 12.818 -12.327 1.116 1.00 0.91 N ATOM 2418 CA GLU A1205 13.711 -12.223 2.268 1.00 1.01 C ATOM 2419 C GLU A1205 13.008 -11.592 3.486 1.00 1.05 C ATOM 2420 O GLU A1205 13.214 -12.038 4.613 1.00 1.16 O ATOM 2421 CB GLU A1205 14.929 -11.414 1.808 1.00 1.10 C ATOM 2422 CG GLU A1205 16.054 -11.312 2.838 1.00 1.26 C ATOM 2423 CD GLU A1205 17.083 -10.296 2.346 1.00 2.00 C ATOM 2424 OE1 GLU A1205 16.884 -9.084 2.607 1.00 3.02 O ATOM 2425 OE2 GLU A1205 18.066 -10.683 1.663 1.00 2.84 O ATOM 0 H GLU A1205 13.138 -11.790 0.310 1.00 0.91 H new ATOM 0 HA GLU A1205 14.022 -13.211 2.608 1.00 1.01 H new ATOM 0 HB2 GLU A1205 15.327 -11.866 0.899 1.00 1.10 H new ATOM 0 HB3 GLU A1205 14.602 -10.408 1.546 1.00 1.10 H new ATOM 0 HG2 GLU A1205 15.654 -11.006 3.805 1.00 1.26 H new ATOM 0 HG3 GLU A1205 16.524 -12.285 2.981 1.00 1.26 H new ATOM 2432 N HIS A1206 12.118 -10.618 3.274 1.00 1.02 N ATOM 2433 CA HIS A1206 11.371 -9.953 4.347 1.00 1.11 C ATOM 2434 C HIS A1206 10.328 -10.877 4.997 1.00 1.17 C ATOM 2435 O HIS A1206 10.222 -10.944 6.225 1.00 1.31 O ATOM 2436 CB HIS A1206 10.711 -8.695 3.771 1.00 1.16 C ATOM 2437 CG HIS A1206 10.076 -7.821 4.816 1.00 1.79 C ATOM 2438 ND1 HIS A1206 8.841 -7.991 5.400 1.00 2.95 N ATOM 2439 CD2 HIS A1206 10.613 -6.674 5.332 1.00 1.94 C ATOM 2440 CE1 HIS A1206 8.618 -6.947 6.210 1.00 3.52 C ATOM 2441 NE2 HIS A1206 9.683 -6.133 6.224 1.00 2.92 N ATOM 0 H HIS A1206 11.893 -10.265 2.344 1.00 1.02 H new ATOM 0 HA HIS A1206 12.067 -9.682 5.141 1.00 1.11 H new ATOM 0 HB2 HIS A1206 11.460 -8.116 3.230 1.00 1.16 H new ATOM 0 HB3 HIS A1206 9.953 -8.991 3.046 1.00 1.16 H new ATOM 0 HD1 HIS A1206 8.207 -8.774 5.244 1.00 2.95 H new ATOM 0 HD2 HIS A1206 11.582 -6.261 5.093 1.00 1.94 H new ATOM 0 HE1 HIS A1206 7.710 -6.785 6.771 1.00 3.52 H new ATOM 2449 N GLU A1207 9.584 -11.640 4.189 1.00 1.12 N ATOM 2450 CA GLU A1207 8.649 -12.645 4.704 1.00 1.22 C ATOM 2451 C GLU A1207 9.397 -13.833 5.351 1.00 1.38 C ATOM 2452 O GLU A1207 8.938 -14.372 6.360 1.00 1.59 O ATOM 2453 CB GLU A1207 7.659 -13.085 3.609 1.00 1.20 C ATOM 2454 CG GLU A1207 6.785 -11.942 3.066 1.00 1.85 C ATOM 2455 CD GLU A1207 5.585 -12.474 2.266 1.00 2.32 C ATOM 2456 OE1 GLU A1207 4.507 -12.700 2.866 1.00 2.79 O ATOM 2457 OE2 GLU A1207 5.681 -12.652 1.027 1.00 3.19 O ATOM 0 H GLU A1207 9.612 -11.580 3.171 1.00 1.12 H new ATOM 0 HA GLU A1207 8.058 -12.190 5.499 1.00 1.22 H new ATOM 0 HB2 GLU A1207 8.218 -13.526 2.784 1.00 1.20 H new ATOM 0 HB3 GLU A1207 7.012 -13.866 4.010 1.00 1.20 H new ATOM 0 HG2 GLU A1207 6.428 -11.332 3.895 1.00 1.85 H new ATOM 0 HG3 GLU A1207 7.388 -11.294 2.430 1.00 1.85 H new ATOM 2464 N ARG A1208 10.600 -14.193 4.873 1.00 1.32 N ATOM 2465 CA ARG A1208 11.501 -15.162 5.539 1.00 1.47 C ATOM 2466 C ARG A1208 11.970 -14.656 6.914 1.00 1.62 C ATOM 2467 O ARG A1208 12.000 -15.423 7.881 1.00 1.97 O ATOM 2468 CB ARG A1208 12.682 -15.470 4.597 1.00 1.36 C ATOM 2469 CG ARG A1208 13.527 -16.677 5.035 1.00 1.68 C ATOM 2470 CD ARG A1208 14.726 -16.845 4.089 1.00 2.00 C ATOM 2471 NE ARG A1208 15.496 -18.071 4.373 1.00 2.98 N ATOM 2472 CZ ARG A1208 15.300 -19.275 3.867 1.00 3.62 C ATOM 2473 NH1 ARG A1208 14.334 -19.571 3.051 1.00 3.91 N ATOM 2474 NH2 ARG A1208 16.081 -20.267 4.164 1.00 4.72 N ATOM 0 H ARG A1208 10.983 -13.818 4.005 1.00 1.32 H new ATOM 0 HA ARG A1208 10.956 -16.085 5.736 1.00 1.47 H new ATOM 0 HB2 ARG A1208 12.296 -15.653 3.594 1.00 1.36 H new ATOM 0 HB3 ARG A1208 13.324 -14.592 4.536 1.00 1.36 H new ATOM 0 HG2 ARG A1208 13.876 -16.536 6.058 1.00 1.68 H new ATOM 0 HG3 ARG A1208 12.918 -17.581 5.028 1.00 1.68 H new ATOM 0 HD2 ARG A1208 14.372 -16.872 3.058 1.00 2.00 H new ATOM 0 HD3 ARG A1208 15.381 -15.978 4.179 1.00 2.00 H new ATOM 0 HE ARG A1208 16.267 -17.978 5.035 1.00 2.98 H new ATOM 0 HH11 ARG A1208 13.670 -18.852 2.765 1.00 3.91 H new ATOM 0 HH12 ARG A1208 14.239 -20.523 2.696 1.00 3.91 H new ATOM 0 HH21 ARG A1208 16.866 -20.126 4.800 1.00 4.72 H new ATOM 0 HH22 ARG A1208 15.911 -21.189 3.761 1.00 4.72 H new ATOM 2488 N LYS A1209 12.194 -13.342 7.038 1.00 1.49 N ATOM 2489 CA LYS A1209 12.448 -12.614 8.302 1.00 1.65 C ATOM 2490 C LYS A1209 11.203 -12.449 9.199 1.00 1.80 C ATOM 2491 O LYS A1209 11.283 -11.790 10.240 1.00 2.11 O ATOM 2492 CB LYS A1209 13.146 -11.263 8.013 1.00 1.60 C ATOM 2493 CG LYS A1209 14.675 -11.323 8.177 1.00 1.92 C ATOM 2494 CD LYS A1209 15.409 -11.939 6.980 1.00 1.80 C ATOM 2495 CE LYS A1209 16.927 -11.893 7.193 1.00 2.14 C ATOM 2496 NZ LYS A1209 17.410 -12.970 8.087 1.00 3.24 N ATOM 0 H LYS A1209 12.205 -12.723 6.227 1.00 1.49 H new ATOM 0 HA LYS A1209 13.122 -13.238 8.889 1.00 1.65 H new ATOM 0 HB2 LYS A1209 12.908 -10.949 6.997 1.00 1.60 H new ATOM 0 HB3 LYS A1209 12.745 -10.503 8.684 1.00 1.60 H new ATOM 0 HG2 LYS A1209 15.052 -10.313 8.340 1.00 1.92 H new ATOM 0 HG3 LYS A1209 14.911 -11.900 9.071 1.00 1.92 H new ATOM 0 HD2 LYS A1209 15.087 -12.971 6.842 1.00 1.80 H new ATOM 0 HD3 LYS A1209 15.148 -11.399 6.070 1.00 1.80 H new ATOM 0 HE2 LYS A1209 17.428 -11.975 6.228 1.00 2.14 H new ATOM 0 HE3 LYS A1209 17.202 -10.926 7.614 1.00 2.14 H new ATOM 0 HZ1 LYS A1209 18.441 -12.893 8.197 1.00 3.24 H new ATOM 0 HZ2 LYS A1209 16.955 -12.879 9.018 1.00 3.24 H new ATOM 0 HZ3 LYS A1209 17.174 -13.895 7.675 1.00 3.24 H new ATOM 2510 N GLY A1210 10.069 -13.060 8.846 1.00 1.89 N ATOM 2511 CA GLY A1210 8.878 -13.150 9.698 1.00 2.02 C ATOM 2512 C GLY A1210 8.094 -11.842 9.856 1.00 1.85 C ATOM 2513 O GLY A1210 7.386 -11.679 10.854 1.00 2.06 O ATOM 0 H GLY A1210 9.950 -13.516 7.941 1.00 1.89 H new ATOM 0 HA2 GLY A1210 8.212 -13.908 9.286 1.00 2.02 H new ATOM 0 HA3 GLY A1210 9.182 -13.496 10.686 1.00 2.02 H new ATOM 2517 N ARG A1211 8.251 -10.893 8.921 1.00 1.54 N ATOM 2518 CA ARG A1211 7.646 -9.547 8.950 1.00 1.36 C ATOM 2519 C ARG A1211 6.738 -9.341 7.731 1.00 1.13 C ATOM 2520 O ARG A1211 6.987 -9.911 6.665 1.00 1.39 O ATOM 2521 CB ARG A1211 8.767 -8.499 9.104 1.00 1.37 C ATOM 2522 CG ARG A1211 9.417 -8.592 10.494 1.00 1.98 C ATOM 2523 CD ARG A1211 10.541 -7.576 10.723 1.00 1.78 C ATOM 2524 NE ARG A1211 10.923 -7.548 12.149 1.00 2.33 N ATOM 2525 CZ ARG A1211 11.992 -6.979 12.676 1.00 2.94 C ATOM 2526 NH1 ARG A1211 12.804 -6.249 11.972 1.00 3.69 N ATOM 2527 NH2 ARG A1211 12.257 -7.142 13.937 1.00 3.52 N ATOM 0 H ARG A1211 8.824 -11.045 8.091 1.00 1.54 H new ATOM 0 HA ARG A1211 6.989 -9.429 9.812 1.00 1.36 H new ATOM 0 HB2 ARG A1211 9.523 -8.653 8.334 1.00 1.37 H new ATOM 0 HB3 ARG A1211 8.359 -7.499 8.955 1.00 1.37 H new ATOM 0 HG2 ARG A1211 8.649 -8.447 11.254 1.00 1.98 H new ATOM 0 HG3 ARG A1211 9.816 -9.597 10.631 1.00 1.98 H new ATOM 0 HD2 ARG A1211 11.406 -7.836 10.113 1.00 1.78 H new ATOM 0 HD3 ARG A1211 10.215 -6.585 10.407 1.00 1.78 H new ATOM 0 HE ARG A1211 10.293 -8.019 12.798 1.00 2.33 H new ATOM 0 HH11 ARG A1211 12.625 -6.100 10.979 1.00 3.69 H new ATOM 0 HH12 ARG A1211 13.620 -5.825 12.412 1.00 3.69 H new ATOM 0 HH21 ARG A1211 11.640 -7.709 14.519 1.00 3.52 H new ATOM 0 HH22 ARG A1211 13.082 -6.703 14.346 1.00 3.52 H new ATOM 2541 N THR A1212 5.670 -8.556 7.860 1.00 1.07 N ATOM 2542 CA THR A1212 4.582 -8.474 6.865 1.00 1.00 C ATOM 2543 C THR A1212 4.929 -7.581 5.663 1.00 0.86 C ATOM 2544 O THR A1212 5.423 -6.466 5.841 1.00 0.86 O ATOM 2545 CB THR A1212 3.287 -8.010 7.557 1.00 1.06 C ATOM 2546 OG1 THR A1212 2.918 -8.930 8.572 1.00 1.33 O ATOM 2547 CG2 THR A1212 2.088 -7.929 6.613 1.00 1.05 C ATOM 0 H THR A1212 5.526 -7.948 8.666 1.00 1.07 H new ATOM 0 HA THR A1212 4.435 -9.472 6.453 1.00 1.00 H new ATOM 0 HB THR A1212 3.513 -7.017 7.946 1.00 1.06 H new ATOM 0 HG1 THR A1212 2.094 -8.625 9.007 1.00 1.33 H new ATOM 0 HG21 THR A1212 1.210 -7.596 7.167 1.00 1.05 H new ATOM 0 HG22 THR A1212 2.302 -7.221 5.813 1.00 1.05 H new ATOM 0 HG23 THR A1212 1.895 -8.913 6.185 1.00 1.05 H new ATOM 2555 N ALA A1213 4.666 -8.055 4.437 1.00 0.80 N ATOM 2556 CA ALA A1213 5.065 -7.380 3.193 1.00 0.63 C ATOM 2557 C ALA A1213 3.957 -7.353 2.115 1.00 0.55 C ATOM 2558 O ALA A1213 3.395 -8.398 1.770 1.00 0.65 O ATOM 2559 CB ALA A1213 6.319 -8.089 2.669 1.00 0.66 C ATOM 0 H ALA A1213 4.164 -8.929 4.279 1.00 0.80 H new ATOM 0 HA ALA A1213 5.262 -6.332 3.417 1.00 0.63 H new ATOM 0 HB1 ALA A1213 6.646 -7.614 1.744 1.00 0.66 H new ATOM 0 HB2 ALA A1213 7.113 -8.020 3.412 1.00 0.66 H new ATOM 0 HB3 ALA A1213 6.091 -9.138 2.478 1.00 0.66 H new ATOM 2565 N VAL A1214 3.676 -6.170 1.544 1.00 0.49 N ATOM 2566 CA VAL A1214 2.623 -5.959 0.523 1.00 0.58 C ATOM 2567 C VAL A1214 3.029 -4.976 -0.587 1.00 0.52 C ATOM 2568 O VAL A1214 3.879 -4.105 -0.399 1.00 0.46 O ATOM 2569 CB VAL A1214 1.280 -5.513 1.152 1.00 0.79 C ATOM 2570 CG1 VAL A1214 0.703 -6.576 2.094 1.00 1.46 C ATOM 2571 CG2 VAL A1214 1.372 -4.183 1.909 1.00 0.72 C ATOM 0 H VAL A1214 4.180 -5.315 1.780 1.00 0.49 H new ATOM 0 HA VAL A1214 2.489 -6.936 0.059 1.00 0.58 H new ATOM 0 HB VAL A1214 0.613 -5.375 0.301 1.00 0.79 H new ATOM 0 HG11 VAL A1214 -0.239 -6.220 2.512 1.00 1.46 H new ATOM 0 HG12 VAL A1214 0.528 -7.498 1.539 1.00 1.46 H new ATOM 0 HG13 VAL A1214 1.409 -6.768 2.902 1.00 1.46 H new ATOM 0 HG21 VAL A1214 0.396 -3.932 2.323 1.00 0.72 H new ATOM 0 HG22 VAL A1214 2.097 -4.274 2.718 1.00 0.72 H new ATOM 0 HG23 VAL A1214 1.689 -3.396 1.225 1.00 0.72 H new ATOM 2581 N LEU A1215 2.405 -5.118 -1.756 1.00 0.59 N ATOM 2582 CA LEU A1215 2.472 -4.214 -2.906 1.00 0.53 C ATOM 2583 C LEU A1215 1.236 -3.306 -2.970 1.00 0.51 C ATOM 2584 O LEU A1215 0.167 -3.652 -2.466 1.00 0.58 O ATOM 2585 CB LEU A1215 2.564 -5.009 -4.221 1.00 0.85 C ATOM 2586 CG LEU A1215 3.789 -5.920 -4.387 1.00 1.41 C ATOM 2587 CD1 LEU A1215 3.493 -7.325 -3.888 1.00 2.43 C ATOM 2588 CD2 LEU A1215 4.181 -6.012 -5.862 1.00 2.52 C ATOM 0 H LEU A1215 1.800 -5.919 -1.938 1.00 0.59 H new ATOM 0 HA LEU A1215 3.365 -3.602 -2.781 1.00 0.53 H new ATOM 0 HB2 LEU A1215 1.668 -5.623 -4.312 1.00 0.85 H new ATOM 0 HB3 LEU A1215 2.551 -4.301 -5.049 1.00 0.85 H new ATOM 0 HG LEU A1215 4.602 -5.488 -3.803 1.00 1.41 H new ATOM 0 HD11 LEU A1215 4.376 -7.950 -4.017 1.00 2.43 H new ATOM 0 HD12 LEU A1215 3.226 -7.287 -2.832 1.00 2.43 H new ATOM 0 HD13 LEU A1215 2.664 -7.746 -4.457 1.00 2.43 H new ATOM 0 HD21 LEU A1215 5.051 -6.660 -5.968 1.00 2.52 H new ATOM 0 HD22 LEU A1215 3.350 -6.424 -6.434 1.00 2.52 H new ATOM 0 HD23 LEU A1215 4.422 -5.017 -6.237 1.00 2.52 H new ATOM 2600 N VAL A1216 1.374 -2.188 -3.682 1.00 0.56 N ATOM 2601 CA VAL A1216 0.299 -1.244 -4.025 1.00 0.57 C ATOM 2602 C VAL A1216 0.151 -1.181 -5.550 1.00 0.47 C ATOM 2603 O VAL A1216 1.153 -1.124 -6.274 1.00 0.40 O ATOM 2604 CB VAL A1216 0.581 0.160 -3.448 1.00 0.65 C ATOM 2605 CG1 VAL A1216 -0.659 1.060 -3.533 1.00 0.69 C ATOM 2606 CG2 VAL A1216 1.020 0.130 -1.977 1.00 0.80 C ATOM 0 H VAL A1216 2.278 -1.898 -4.055 1.00 0.56 H new ATOM 0 HA VAL A1216 -0.633 -1.596 -3.583 1.00 0.57 H new ATOM 0 HB VAL A1216 1.394 0.555 -4.058 1.00 0.65 H new ATOM 0 HG11 VAL A1216 -0.426 2.041 -3.118 1.00 0.69 H new ATOM 0 HG12 VAL A1216 -0.959 1.169 -4.575 1.00 0.69 H new ATOM 0 HG13 VAL A1216 -1.474 0.611 -2.966 1.00 0.69 H new ATOM 0 HG21 VAL A1216 1.203 1.147 -1.631 1.00 0.80 H new ATOM 0 HG22 VAL A1216 0.235 -0.323 -1.372 1.00 0.80 H new ATOM 0 HG23 VAL A1216 1.935 -0.455 -1.882 1.00 0.80 H new ATOM 2616 N ALA A1217 -1.093 -1.183 -6.036 1.00 0.48 N ATOM 2617 CA ALA A1217 -1.443 -1.056 -7.450 1.00 0.40 C ATOM 2618 C ALA A1217 -2.671 -0.149 -7.667 1.00 0.36 C ATOM 2619 O ALA A1217 -3.543 -0.050 -6.799 1.00 0.42 O ATOM 2620 CB ALA A1217 -1.672 -2.463 -8.019 1.00 0.46 C ATOM 0 H ALA A1217 -1.911 -1.276 -5.434 1.00 0.48 H new ATOM 0 HA ALA A1217 -0.622 -0.573 -7.980 1.00 0.40 H new ATOM 0 HB1 ALA A1217 -1.935 -2.390 -9.074 1.00 0.46 H new ATOM 0 HB2 ALA A1217 -0.761 -3.052 -7.911 1.00 0.46 H new ATOM 0 HB3 ALA A1217 -2.483 -2.948 -7.476 1.00 0.46 H new ATOM 2626 N VAL A1218 -2.757 0.486 -8.841 1.00 0.36 N ATOM 2627 CA VAL A1218 -3.850 1.392 -9.240 1.00 0.48 C ATOM 2628 C VAL A1218 -4.341 1.028 -10.641 1.00 0.67 C ATOM 2629 O VAL A1218 -3.575 1.115 -11.600 1.00 0.70 O ATOM 2630 CB VAL A1218 -3.407 2.873 -9.201 1.00 0.67 C ATOM 2631 CG1 VAL A1218 -4.564 3.822 -9.549 1.00 0.85 C ATOM 2632 CG2 VAL A1218 -2.876 3.284 -7.823 1.00 0.67 C ATOM 0 H VAL A1218 -2.047 0.383 -9.566 1.00 0.36 H new ATOM 0 HA VAL A1218 -4.664 1.271 -8.525 1.00 0.48 H new ATOM 0 HB VAL A1218 -2.613 2.955 -9.943 1.00 0.67 H new ATOM 0 HG11 VAL A1218 -4.213 4.853 -9.511 1.00 0.85 H new ATOM 0 HG12 VAL A1218 -4.928 3.600 -10.552 1.00 0.85 H new ATOM 0 HG13 VAL A1218 -5.373 3.688 -8.831 1.00 0.85 H new ATOM 0 HG21 VAL A1218 -2.578 4.332 -7.846 1.00 0.67 H new ATOM 0 HG22 VAL A1218 -3.657 3.145 -7.076 1.00 0.67 H new ATOM 0 HG23 VAL A1218 -2.015 2.667 -7.566 1.00 0.67 H new ATOM 2642 N ASP A1219 -5.617 0.654 -10.767 1.00 0.91 N ATOM 2643 CA ASP A1219 -6.325 0.401 -12.037 1.00 1.11 C ATOM 2644 C ASP A1219 -5.500 -0.420 -13.065 1.00 0.89 C ATOM 2645 O ASP A1219 -5.241 0.009 -14.194 1.00 0.86 O ATOM 2646 CB ASP A1219 -6.899 1.731 -12.545 1.00 1.43 C ATOM 2647 CG ASP A1219 -7.801 1.593 -13.773 1.00 1.80 C ATOM 2648 OD1 ASP A1219 -8.671 0.689 -13.815 1.00 2.73 O ATOM 2649 OD2 ASP A1219 -7.680 2.445 -14.685 1.00 2.48 O ATOM 0 H ASP A1219 -6.216 0.511 -9.954 1.00 0.91 H new ATOM 0 HA ASP A1219 -7.165 -0.271 -11.862 1.00 1.11 H new ATOM 0 HB2 ASP A1219 -7.467 2.200 -11.741 1.00 1.43 H new ATOM 0 HB3 ASP A1219 -6.074 2.402 -12.787 1.00 1.43 H new ATOM 2654 N ASP A1220 -5.050 -1.595 -12.621 1.00 0.89 N ATOM 2655 CA ASP A1220 -4.174 -2.562 -13.303 1.00 0.87 C ATOM 2656 C ASP A1220 -2.725 -2.108 -13.620 1.00 0.72 C ATOM 2657 O ASP A1220 -2.080 -2.664 -14.509 1.00 0.84 O ATOM 2658 CB ASP A1220 -4.910 -3.259 -14.461 1.00 1.08 C ATOM 2659 CG ASP A1220 -4.330 -4.641 -14.779 1.00 2.95 C ATOM 2660 OD1 ASP A1220 -4.620 -5.610 -14.041 1.00 3.79 O ATOM 2661 OD2 ASP A1220 -3.639 -4.796 -15.815 1.00 4.37 O ATOM 0 H ASP A1220 -5.310 -1.928 -11.693 1.00 0.89 H new ATOM 0 HA ASP A1220 -3.962 -3.320 -12.549 1.00 0.87 H new ATOM 0 HB2 ASP A1220 -5.965 -3.361 -14.207 1.00 1.08 H new ATOM 0 HB3 ASP A1220 -4.856 -2.632 -15.351 1.00 1.08 H new ATOM 2666 N GLU A1221 -2.169 -1.146 -12.876 1.00 0.59 N ATOM 2667 CA GLU A1221 -0.736 -0.792 -12.902 1.00 0.55 C ATOM 2668 C GLU A1221 -0.080 -0.938 -11.519 1.00 0.44 C ATOM 2669 O GLU A1221 -0.639 -0.505 -10.509 1.00 0.45 O ATOM 2670 CB GLU A1221 -0.522 0.657 -13.391 1.00 0.67 C ATOM 2671 CG GLU A1221 -0.607 0.828 -14.914 1.00 1.20 C ATOM 2672 CD GLU A1221 0.579 0.221 -15.682 1.00 1.99 C ATOM 2673 OE1 GLU A1221 1.654 -0.073 -15.096 1.00 3.10 O ATOM 2674 OE2 GLU A1221 0.443 0.053 -16.919 1.00 2.62 O ATOM 0 H GLU A1221 -2.709 -0.577 -12.224 1.00 0.59 H new ATOM 0 HA GLU A1221 -0.267 -1.490 -13.596 1.00 0.55 H new ATOM 0 HB2 GLU A1221 -1.267 1.300 -12.923 1.00 0.67 H new ATOM 0 HB3 GLU A1221 0.455 1.002 -13.052 1.00 0.67 H new ATOM 0 HG2 GLU A1221 -1.529 0.368 -15.269 1.00 1.20 H new ATOM 0 HG3 GLU A1221 -0.670 1.891 -15.146 1.00 1.20 H new ATOM 2681 N LEU A1222 1.136 -1.497 -11.472 1.00 0.45 N ATOM 2682 CA LEU A1222 2.026 -1.462 -10.297 1.00 0.46 C ATOM 2683 C LEU A1222 2.234 -0.002 -9.866 1.00 0.51 C ATOM 2684 O LEU A1222 2.359 0.862 -10.737 1.00 0.79 O ATOM 2685 CB LEU A1222 3.405 -2.057 -10.691 1.00 0.61 C ATOM 2686 CG LEU A1222 3.666 -3.541 -10.375 1.00 0.70 C ATOM 2687 CD1 LEU A1222 3.871 -3.782 -8.881 1.00 0.79 C ATOM 2688 CD2 LEU A1222 2.535 -4.455 -10.834 1.00 0.93 C ATOM 0 H LEU A1222 1.540 -1.997 -12.264 1.00 0.45 H new ATOM 0 HA LEU A1222 1.582 -2.036 -9.483 1.00 0.46 H new ATOM 0 HB2 LEU A1222 3.536 -1.915 -11.764 1.00 0.61 H new ATOM 0 HB3 LEU A1222 4.177 -1.469 -10.195 1.00 0.61 H new ATOM 0 HG LEU A1222 4.574 -3.783 -10.927 1.00 0.70 H new ATOM 0 HD11 LEU A1222 4.052 -4.842 -8.705 1.00 0.79 H new ATOM 0 HD12 LEU A1222 4.728 -3.205 -8.534 1.00 0.79 H new ATOM 0 HD13 LEU A1222 2.979 -3.471 -8.337 1.00 0.79 H new ATOM 0 HD21 LEU A1222 2.777 -5.488 -10.583 1.00 0.93 H new ATOM 0 HD22 LEU A1222 1.610 -4.168 -10.334 1.00 0.93 H new ATOM 0 HD23 LEU A1222 2.408 -4.364 -11.913 1.00 0.93 H new ATOM 2700 N CYS A1223 2.353 0.285 -8.563 1.00 0.40 N ATOM 2701 CA CYS A1223 2.757 1.627 -8.124 1.00 0.40 C ATOM 2702 C CYS A1223 3.694 1.716 -6.905 1.00 0.43 C ATOM 2703 O CYS A1223 4.461 2.679 -6.836 1.00 0.49 O ATOM 2704 CB CYS A1223 1.511 2.522 -8.015 1.00 0.49 C ATOM 2705 SG CYS A1223 0.640 2.296 -6.446 1.00 0.51 S ATOM 0 H CYS A1223 2.179 -0.379 -7.808 1.00 0.40 H new ATOM 0 HA CYS A1223 3.417 2.006 -8.904 1.00 0.40 H new ATOM 0 HB2 CYS A1223 1.806 3.566 -8.117 1.00 0.49 H new ATOM 0 HB3 CYS A1223 0.834 2.300 -8.840 1.00 0.49 H new ATOM 0 HG CYS A1223 -0.268 3.217 -6.317 1.00 0.51 H new ATOM 2711 N GLY A1224 3.729 0.736 -5.992 1.00 0.44 N ATOM 2712 CA GLY A1224 4.628 0.792 -4.828 1.00 0.49 C ATOM 2713 C GLY A1224 4.721 -0.504 -4.021 1.00 0.42 C ATOM 2714 O GLY A1224 4.060 -1.495 -4.340 1.00 0.45 O ATOM 0 H GLY A1224 3.149 -0.102 -6.035 1.00 0.44 H new ATOM 0 HA2 GLY A1224 5.627 1.061 -5.172 1.00 0.49 H new ATOM 0 HA3 GLY A1224 4.293 1.591 -4.167 1.00 0.49 H new ATOM 2718 N LEU A1225 5.544 -0.489 -2.969 1.00 0.46 N ATOM 2719 CA LEU A1225 5.633 -1.534 -1.946 1.00 0.46 C ATOM 2720 C LEU A1225 5.745 -0.965 -0.519 1.00 0.49 C ATOM 2721 O LEU A1225 6.274 0.134 -0.307 1.00 0.60 O ATOM 2722 CB LEU A1225 6.771 -2.531 -2.256 1.00 0.67 C ATOM 2723 CG LEU A1225 8.210 -1.970 -2.157 1.00 0.95 C ATOM 2724 CD1 LEU A1225 9.156 -3.049 -1.630 1.00 1.89 C ATOM 2725 CD2 LEU A1225 8.755 -1.496 -3.507 1.00 1.34 C ATOM 0 H LEU A1225 6.191 0.281 -2.800 1.00 0.46 H new ATOM 0 HA LEU A1225 4.692 -2.083 -1.980 1.00 0.46 H new ATOM 0 HB2 LEU A1225 6.684 -3.375 -1.572 1.00 0.67 H new ATOM 0 HB3 LEU A1225 6.622 -2.920 -3.263 1.00 0.67 H new ATOM 0 HG LEU A1225 8.159 -1.116 -1.481 1.00 0.95 H new ATOM 0 HD11 LEU A1225 10.167 -2.646 -1.563 1.00 1.89 H new ATOM 0 HD12 LEU A1225 8.827 -3.370 -0.641 1.00 1.89 H new ATOM 0 HD13 LEU A1225 9.150 -3.902 -2.309 1.00 1.89 H new ATOM 0 HD21 LEU A1225 9.767 -1.113 -3.377 1.00 1.34 H new ATOM 0 HD22 LEU A1225 8.771 -2.332 -4.207 1.00 1.34 H new ATOM 0 HD23 LEU A1225 8.116 -0.706 -3.900 1.00 1.34 H new ATOM 2737 N ILE A1226 5.261 -1.745 0.452 1.00 0.46 N ATOM 2738 CA ILE A1226 5.221 -1.430 1.886 1.00 0.52 C ATOM 2739 C ILE A1226 5.778 -2.621 2.683 1.00 0.50 C ATOM 2740 O ILE A1226 5.280 -3.745 2.576 1.00 0.50 O ATOM 2741 CB ILE A1226 3.772 -1.106 2.338 1.00 0.59 C ATOM 2742 CG1 ILE A1226 3.086 -0.036 1.452 1.00 0.66 C ATOM 2743 CG2 ILE A1226 3.736 -0.688 3.823 1.00 0.72 C ATOM 2744 CD1 ILE A1226 1.609 0.202 1.793 1.00 0.84 C ATOM 0 H ILE A1226 4.865 -2.663 0.250 1.00 0.46 H new ATOM 0 HA ILE A1226 5.835 -0.549 2.074 1.00 0.52 H new ATOM 0 HB ILE A1226 3.200 -2.026 2.217 1.00 0.59 H new ATOM 0 HG12 ILE A1226 3.627 0.905 1.551 1.00 0.66 H new ATOM 0 HG13 ILE A1226 3.163 -0.340 0.408 1.00 0.66 H new ATOM 0 HG21 ILE A1226 2.709 -0.467 4.114 1.00 0.72 H new ATOM 0 HG22 ILE A1226 4.120 -1.501 4.439 1.00 0.72 H new ATOM 0 HG23 ILE A1226 4.353 0.199 3.966 1.00 0.72 H new ATOM 0 HD11 ILE A1226 1.201 0.964 1.129 1.00 0.84 H new ATOM 0 HD12 ILE A1226 1.052 -0.726 1.666 1.00 0.84 H new ATOM 0 HD13 ILE A1226 1.524 0.537 2.827 1.00 0.84 H new ATOM 2756 N ALA A1227 6.789 -2.359 3.512 1.00 0.54 N ATOM 2757 CA ALA A1227 7.402 -3.316 4.430 1.00 0.56 C ATOM 2758 C ALA A1227 7.112 -2.922 5.890 1.00 0.62 C ATOM 2759 O ALA A1227 7.452 -1.814 6.327 1.00 0.68 O ATOM 2760 CB ALA A1227 8.900 -3.358 4.114 1.00 0.60 C ATOM 0 H ALA A1227 7.220 -1.436 3.563 1.00 0.54 H new ATOM 0 HA ALA A1227 6.984 -4.314 4.302 1.00 0.56 H new ATOM 0 HB1 ALA A1227 9.393 -4.064 4.782 1.00 0.60 H new ATOM 0 HB2 ALA A1227 9.045 -3.673 3.081 1.00 0.60 H new ATOM 0 HB3 ALA A1227 9.329 -2.366 4.254 1.00 0.60 H new ATOM 2766 N ILE A1228 6.466 -3.822 6.638 1.00 0.68 N ATOM 2767 CA ILE A1228 5.951 -3.573 7.992 1.00 0.75 C ATOM 2768 C ILE A1228 6.586 -4.553 8.983 1.00 0.86 C ATOM 2769 O ILE A1228 6.520 -5.772 8.799 1.00 0.97 O ATOM 2770 CB ILE A1228 4.406 -3.667 8.033 1.00 0.81 C ATOM 2771 CG1 ILE A1228 3.732 -2.899 6.871 1.00 1.07 C ATOM 2772 CG2 ILE A1228 3.924 -3.122 9.387 1.00 1.13 C ATOM 2773 CD1 ILE A1228 2.197 -2.925 6.884 1.00 1.12 C ATOM 0 H ILE A1228 6.281 -4.770 6.311 1.00 0.68 H new ATOM 0 HA ILE A1228 6.223 -2.558 8.281 1.00 0.75 H new ATOM 0 HB ILE A1228 4.121 -4.712 7.914 1.00 0.81 H new ATOM 0 HG12 ILE A1228 4.064 -1.861 6.900 1.00 1.07 H new ATOM 0 HG13 ILE A1228 4.080 -3.319 5.927 1.00 1.07 H new ATOM 0 HG21 ILE A1228 2.837 -3.179 9.436 1.00 1.13 H new ATOM 0 HG22 ILE A1228 4.356 -3.716 10.193 1.00 1.13 H new ATOM 0 HG23 ILE A1228 4.238 -2.084 9.494 1.00 1.13 H new ATOM 0 HD11 ILE A1228 1.816 -2.361 6.033 1.00 1.12 H new ATOM 0 HD12 ILE A1228 1.850 -3.956 6.820 1.00 1.12 H new ATOM 0 HD13 ILE A1228 1.833 -2.476 7.808 1.00 1.12 H new ATOM 2785 N ALA A1229 7.170 -4.027 10.059 1.00 0.93 N ATOM 2786 CA ALA A1229 7.889 -4.834 11.029 1.00 1.10 C ATOM 2787 C ALA A1229 6.964 -5.379 12.123 1.00 1.83 C ATOM 2788 O ALA A1229 6.499 -4.637 12.990 1.00 2.05 O ATOM 2789 CB ALA A1229 9.059 -4.029 11.610 1.00 1.10 C ATOM 0 H ALA A1229 7.155 -3.031 10.278 1.00 0.93 H new ATOM 0 HA ALA A1229 8.294 -5.707 10.518 1.00 1.10 H new ATOM 0 HB1 ALA A1229 9.595 -4.639 12.337 1.00 1.10 H new ATOM 0 HB2 ALA A1229 9.738 -3.742 10.807 1.00 1.10 H new ATOM 0 HB3 ALA A1229 8.677 -3.133 12.100 1.00 1.10 H new