USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 LYS NZ :NH3+ -117:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.56! C(o=-1!,f=-9.1!) USER MOD Set 1.3: A 83 SER OG : rot -159:sc= -0.712 USER MOD Set 2.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 CYS SG : rot 180:sc= -0.0795 USER MOD Set 3.1: A 33 MET CE :methyl -113:sc= -1.96 (180deg=-4.59!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -3.34 K(o=-5.3,f=-6.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -111:sc= -1.49! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -23:sc= 0.225 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 88:sc= 0.0184 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.27) USER MOD Single : A 66 MET CE :methyl 144:sc= -0.137 (180deg=-1.08) USER MOD Single : A 69 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0774 K(o=-0.077,f=-0.71) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.833 -5.945 -5.131 1.00 0.00 N ATOM 142 CA ALA A 13 -2.403 -6.159 -4.944 1.00 0.00 C ATOM 143 C ALA A 13 -2.036 -7.625 -5.143 1.00 0.00 C ATOM 144 O ALA A 13 -2.859 -8.517 -4.931 1.00 0.00 O ATOM 145 CB ALA A 13 -1.976 -5.689 -3.561 1.00 0.00 C ATOM 0 HA ALA A 13 -1.872 -5.574 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.906 -5.855 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.194 -4.626 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.522 -6.249 -2.802 1.00 0.00 H new ATOM 151 N THR A 14 -0.795 -7.870 -5.552 1.00 0.00 N ATOM 152 CA THR A 14 -0.320 -9.229 -5.782 1.00 0.00 C ATOM 153 C THR A 14 0.415 -9.768 -4.560 1.00 0.00 C ATOM 154 O THR A 14 0.786 -9.012 -3.663 1.00 0.00 O ATOM 155 CB THR A 14 0.617 -9.297 -7.002 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.001 -8.669 -8.131 1.00 0.00 O ATOM 157 CG2 THR A 14 0.957 -10.740 -7.343 1.00 0.00 C ATOM 0 H THR A 14 -0.100 -7.145 -5.731 1.00 0.00 H new ATOM 0 HA THR A 14 -1.199 -9.844 -5.974 1.00 0.00 H new ATOM 0 HB THR A 14 1.539 -8.771 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.602 -8.715 -8.902 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.620 -10.763 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.454 -11.207 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.041 -11.285 -7.573 1.00 0.00 H new ATOM 165 N VAL A 15 0.623 -11.081 -4.532 1.00 0.00 N ATOM 166 CA VAL A 15 1.316 -11.721 -3.421 1.00 0.00 C ATOM 167 C VAL A 15 2.788 -11.949 -3.749 1.00 0.00 C ATOM 168 O VAL A 15 3.124 -12.468 -4.812 1.00 0.00 O ATOM 169 CB VAL A 15 0.668 -13.070 -3.058 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.505 -13.936 -4.298 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.491 -13.789 -2.000 1.00 0.00 C ATOM 0 H VAL A 15 0.321 -11.722 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 15 1.237 -11.047 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.323 -12.878 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.046 -14.885 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.130 -13.422 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.483 -14.122 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.018 -14.740 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.496 -13.971 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.550 -13.172 -1.103 1.00 0.00 H new ATOM 181 N GLY A 16 3.662 -11.557 -2.826 1.00 0.00 N ATOM 182 CA GLY A 16 5.087 -11.727 -3.036 1.00 0.00 C ATOM 183 C GLY A 16 5.684 -10.623 -3.885 1.00 0.00 C ATOM 184 O GLY A 16 6.816 -10.196 -3.655 1.00 0.00 O ATOM 0 H GLY A 16 3.408 -11.125 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.593 -11.753 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.268 -12.689 -3.516 1.00 0.00 H new ATOM 188 N SER A 17 4.923 -10.159 -4.871 1.00 0.00 N ATOM 189 CA SER A 17 5.386 -9.102 -5.762 1.00 0.00 C ATOM 190 C SER A 17 5.364 -7.749 -5.056 1.00 0.00 C ATOM 191 O SER A 17 4.531 -7.506 -4.182 1.00 0.00 O ATOM 192 CB SER A 17 4.516 -9.047 -7.019 1.00 0.00 C ATOM 193 OG SER A 17 5.250 -8.554 -8.126 1.00 0.00 O ATOM 0 H SER A 17 3.983 -10.499 -5.073 1.00 0.00 H new ATOM 0 HA SER A 17 6.413 -9.327 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.135 -10.043 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.651 -8.409 -6.839 1.00 0.00 H new ATOM 0 HG SER A 17 4.672 -8.530 -8.917 1.00 0.00 H new ATOM 199 N ILE A 18 6.286 -6.873 -5.442 1.00 0.00 N ATOM 200 CA ILE A 18 6.372 -5.545 -4.847 1.00 0.00 C ATOM 201 C ILE A 18 5.060 -4.785 -5.005 1.00 0.00 C ATOM 202 O ILE A 18 4.576 -4.585 -6.121 1.00 0.00 O ATOM 203 CB ILE A 18 7.509 -4.719 -5.478 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.818 -5.511 -5.453 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.671 -3.395 -4.746 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.149 -6.089 -4.095 1.00 0.00 C ATOM 0 H ILE A 18 6.983 -7.059 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 18 6.581 -5.687 -3.787 1.00 0.00 H new ATOM 0 HB ILE A 18 7.253 -4.509 -6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.756 -6.322 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.633 -4.860 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.478 -2.823 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.742 -2.828 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.909 -3.585 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.089 -6.637 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.243 -5.281 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.353 -6.766 -3.784 1.00 0.00 H new ATOM 218 N CYS A 19 4.488 -4.362 -3.883 1.00 0.00 N ATOM 219 CA CYS A 19 3.231 -3.623 -3.896 1.00 0.00 C ATOM 220 C CYS A 19 3.480 -2.125 -3.756 1.00 0.00 C ATOM 221 O CYS A 19 3.845 -1.644 -2.683 1.00 0.00 O ATOM 222 CB CYS A 19 2.318 -4.108 -2.770 1.00 0.00 C ATOM 223 SG CYS A 19 0.689 -3.324 -2.750 1.00 0.00 S ATOM 0 H CYS A 19 4.875 -4.518 -2.952 1.00 0.00 H new ATOM 0 HA CYS A 19 2.742 -3.804 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.189 -5.187 -2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.809 -3.925 -1.814 1.00 0.00 H new ATOM 0 HG CYS A 19 0.589 -2.557 -1.705 1.00 0.00 H new ATOM 229 N ASP A 20 3.282 -1.393 -4.846 1.00 0.00 N ATOM 230 CA ASP A 20 3.486 0.052 -4.845 1.00 0.00 C ATOM 231 C ASP A 20 2.169 0.786 -4.612 1.00 0.00 C ATOM 232 O ASP A 20 1.117 0.365 -5.096 1.00 0.00 O ATOM 233 CB ASP A 20 4.107 0.501 -6.168 1.00 0.00 C ATOM 234 CG ASP A 20 3.237 0.163 -7.362 1.00 0.00 C ATOM 235 OD1 ASP A 20 3.059 -1.040 -7.645 1.00 0.00 O ATOM 236 OD2 ASP A 20 2.732 1.102 -8.013 1.00 0.00 O ATOM 0 H ASP A 20 2.980 -1.776 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 20 4.167 0.298 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.277 1.577 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.082 0.028 -6.287 1.00 0.00 H new ATOM 241 N LEU A 21 2.233 1.884 -3.868 1.00 0.00 N ATOM 242 CA LEU A 21 1.046 2.677 -3.569 1.00 0.00 C ATOM 243 C LEU A 21 1.188 4.095 -4.112 1.00 0.00 C ATOM 244 O LEU A 21 2.005 4.877 -3.628 1.00 0.00 O ATOM 245 CB LEU A 21 0.803 2.718 -2.059 1.00 0.00 C ATOM 246 CG LEU A 21 -0.598 3.145 -1.617 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.559 1.968 -1.681 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.558 3.728 -0.212 1.00 0.00 C ATOM 0 H LEU A 21 3.095 2.246 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 21 0.192 2.206 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.005 1.727 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.527 3.400 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.955 3.916 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.551 2.290 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.609 1.595 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.207 1.174 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.563 4.027 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.181 2.978 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.098 4.598 -0.198 1.00 0.00 H new ATOM 260 N ASN A 22 0.384 4.421 -5.119 1.00 0.00 N ATOM 261 CA ASN A 22 0.418 5.746 -5.727 1.00 0.00 C ATOM 262 C ASN A 22 -0.423 6.735 -4.925 1.00 0.00 C ATOM 263 O ASN A 22 -1.625 6.539 -4.743 1.00 0.00 O ATOM 264 CB ASN A 22 -0.087 5.682 -7.170 1.00 0.00 C ATOM 265 CG ASN A 22 0.669 4.664 -8.002 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.130 3.618 -8.364 1.00 0.00 O ATOM 267 ND2 ASN A 22 1.924 4.968 -8.311 1.00 0.00 N ATOM 0 H ASN A 22 -0.299 3.785 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 22 1.452 6.092 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.148 5.432 -7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.008 6.666 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.482 4.323 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.330 5.847 -7.989 1.00 0.00 H new ATOM 274 N LEU A 23 0.217 7.797 -4.449 1.00 0.00 N ATOM 275 CA LEU A 23 -0.472 8.818 -3.667 1.00 0.00 C ATOM 276 C LEU A 23 -0.227 10.207 -4.248 1.00 0.00 C ATOM 277 O LEU A 23 0.914 10.593 -4.501 1.00 0.00 O ATOM 278 CB LEU A 23 -0.007 8.772 -2.210 1.00 0.00 C ATOM 279 CG LEU A 23 -0.667 7.713 -1.327 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.243 7.342 -0.166 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.013 8.207 -0.816 1.00 0.00 C ATOM 0 H LEU A 23 1.212 7.974 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.542 8.612 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.070 8.605 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.183 9.750 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.835 6.820 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.244 6.587 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.182 6.945 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.444 8.228 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.468 7.440 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.869 9.115 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.667 8.420 -1.661 1.00 0.00 H new ATOM 293 N LYS A 24 -1.305 10.954 -4.455 1.00 0.00 N ATOM 294 CA LYS A 24 -1.209 12.302 -5.002 1.00 0.00 C ATOM 295 C LYS A 24 -1.688 13.337 -3.989 1.00 0.00 C ATOM 296 O LYS A 24 -2.875 13.659 -3.931 1.00 0.00 O ATOM 297 CB LYS A 24 -2.032 12.413 -6.288 1.00 0.00 C ATOM 298 CG LYS A 24 -2.579 13.807 -6.542 1.00 0.00 C ATOM 299 CD LYS A 24 -2.722 14.087 -8.028 1.00 0.00 C ATOM 300 CE LYS A 24 -1.394 14.494 -8.649 1.00 0.00 C ATOM 301 NZ LYS A 24 -1.423 14.396 -10.135 1.00 0.00 N ATOM 0 H LYS A 24 -2.257 10.649 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.162 12.500 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.411 12.116 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.863 11.709 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.549 13.912 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.916 14.547 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.103 13.199 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.455 14.879 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.155 15.517 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.600 13.857 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.500 14.682 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.626 13.415 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.163 15.023 -10.510 1.00 0.00 H new ATOM 315 N ILE A 25 -0.758 13.854 -3.193 1.00 0.00 N ATOM 316 CA ILE A 25 -1.086 14.854 -2.185 1.00 0.00 C ATOM 317 C ILE A 25 0.078 15.814 -1.963 1.00 0.00 C ATOM 318 O ILE A 25 1.080 15.478 -1.331 1.00 0.00 O ATOM 319 CB ILE A 25 -1.459 14.198 -0.842 1.00 0.00 C ATOM 320 CG1 ILE A 25 -2.221 12.893 -1.082 1.00 0.00 C ATOM 321 CG2 ILE A 25 -2.287 15.154 0.003 1.00 0.00 C ATOM 322 CD1 ILE A 25 -2.803 12.293 0.179 1.00 0.00 C ATOM 0 H ILE A 25 0.228 13.597 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.945 15.410 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.542 13.967 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.027 13.078 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.549 12.169 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.543 14.676 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.712 16.059 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.201 15.413 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.329 11.370 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.000 12.077 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.500 12.999 0.630 1.00 0.00 H new ATOM 334 N PRO A 26 -0.056 17.039 -2.493 1.00 0.00 N ATOM 335 CA PRO A 26 0.974 18.074 -2.364 1.00 0.00 C ATOM 336 C PRO A 26 1.094 18.597 -0.936 1.00 0.00 C ATOM 337 O PRO A 26 2.196 18.721 -0.402 1.00 0.00 O ATOM 338 CB PRO A 26 0.483 19.181 -3.300 1.00 0.00 C ATOM 339 CG PRO A 26 -0.992 18.989 -3.372 1.00 0.00 C ATOM 340 CD PRO A 26 -1.224 17.508 -3.258 1.00 0.00 C ATOM 0 HA PRO A 26 1.966 17.696 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.735 20.168 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.942 19.099 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.495 19.526 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.390 19.375 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.158 17.286 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.280 17.033 -4.238 1.00 0.00 H new ATOM 348 N GLU A 27 -0.046 18.903 -0.325 1.00 0.00 N ATOM 349 CA GLU A 27 -0.066 19.413 1.041 1.00 0.00 C ATOM 350 C GLU A 27 0.841 18.584 1.945 1.00 0.00 C ATOM 351 O GLU A 27 1.574 19.127 2.773 1.00 0.00 O ATOM 352 CB GLU A 27 -1.494 19.408 1.590 1.00 0.00 C ATOM 353 CG GLU A 27 -2.402 20.436 0.936 1.00 0.00 C ATOM 354 CD GLU A 27 -3.854 20.001 0.912 1.00 0.00 C ATOM 355 OE1 GLU A 27 -4.108 18.781 0.847 1.00 0.00 O ATOM 356 OE2 GLU A 27 -4.738 20.883 0.958 1.00 0.00 O ATOM 0 H GLU A 27 -0.967 18.807 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 27 0.306 20.438 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.924 18.416 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.462 19.595 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.319 21.382 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.064 20.617 -0.084 1.00 0.00 H new ATOM 363 N ILE A 28 0.786 17.267 1.781 1.00 0.00 N ATOM 364 CA ILE A 28 1.602 16.363 2.582 1.00 0.00 C ATOM 365 C ILE A 28 3.069 16.437 2.171 1.00 0.00 C ATOM 366 O ILE A 28 3.389 16.793 1.038 1.00 0.00 O ATOM 367 CB ILE A 28 1.119 14.906 2.455 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.377 14.813 2.767 1.00 0.00 C ATOM 369 CG2 ILE A 28 1.916 14.001 3.383 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.701 14.994 4.233 1.00 0.00 C ATOM 0 H ILE A 28 0.185 16.802 1.101 1.00 0.00 H new ATOM 0 HA ILE A 28 1.500 16.682 3.619 1.00 0.00 H new ATOM 0 HB ILE A 28 1.279 14.574 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.908 15.570 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.749 13.843 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.563 12.975 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.972 14.049 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.784 14.330 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.778 14.916 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.198 14.221 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.360 15.976 4.562 1.00 0.00 H new ATOM 382 N ASN A 29 3.956 16.097 3.100 1.00 0.00 N ATOM 383 CA ASN A 29 5.390 16.124 2.834 1.00 0.00 C ATOM 384 C ASN A 29 6.024 14.769 3.133 1.00 0.00 C ATOM 385 O ASN A 29 5.687 14.119 4.123 1.00 0.00 O ATOM 386 CB ASN A 29 6.065 17.211 3.673 1.00 0.00 C ATOM 387 CG ASN A 29 5.982 18.578 3.022 1.00 0.00 C ATOM 388 OD1 ASN A 29 4.893 19.103 2.791 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.137 19.161 2.722 1.00 0.00 N ATOM 0 H ASN A 29 3.708 15.800 4.044 1.00 0.00 H new ATOM 0 HA ASN A 29 5.534 16.348 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.596 17.251 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.111 16.949 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.145 20.081 2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.016 18.689 2.932 1.00 0.00 H new ATOM 396 N SER A 30 6.944 14.349 2.270 1.00 0.00 N ATOM 397 CA SER A 30 7.623 13.070 2.439 1.00 0.00 C ATOM 398 C SER A 30 8.431 13.051 3.733 1.00 0.00 C ATOM 399 O SER A 30 8.953 12.012 4.136 1.00 0.00 O ATOM 400 CB SER A 30 8.541 12.795 1.247 1.00 0.00 C ATOM 401 OG SER A 30 9.483 13.840 1.076 1.00 0.00 O ATOM 0 H SER A 30 7.236 14.876 1.447 1.00 0.00 H new ATOM 0 HA SER A 30 6.865 12.288 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.064 11.851 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.944 12.688 0.341 1.00 0.00 H new ATOM 0 HG SER A 30 10.059 13.639 0.309 1.00 0.00 H new ATOM 407 N SER A 31 8.529 14.208 4.379 1.00 0.00 N ATOM 408 CA SER A 31 9.277 14.327 5.626 1.00 0.00 C ATOM 409 C SER A 31 8.344 14.233 6.829 1.00 0.00 C ATOM 410 O SER A 31 8.793 14.101 7.968 1.00 0.00 O ATOM 411 CB SER A 31 10.043 15.651 5.662 1.00 0.00 C ATOM 412 OG SER A 31 10.933 15.695 6.763 1.00 0.00 O ATOM 0 H SER A 31 8.100 15.077 4.060 1.00 0.00 H new ATOM 0 HA SER A 31 9.989 13.503 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.601 15.777 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.339 16.481 5.726 1.00 0.00 H new ATOM 0 HG SER A 31 10.626 15.075 7.457 1.00 0.00 H new ATOM 418 N ASP A 32 7.043 14.302 6.568 1.00 0.00 N ATOM 419 CA ASP A 32 6.046 14.224 7.629 1.00 0.00 C ATOM 420 C ASP A 32 5.050 13.101 7.357 1.00 0.00 C ATOM 421 O ASP A 32 3.932 13.110 7.873 1.00 0.00 O ATOM 422 CB ASP A 32 5.307 15.556 7.763 1.00 0.00 C ATOM 423 CG ASP A 32 6.083 16.569 8.581 1.00 0.00 C ATOM 424 OD1 ASP A 32 6.440 16.252 9.735 1.00 0.00 O ATOM 425 OD2 ASP A 32 6.335 17.679 8.067 1.00 0.00 O ATOM 0 H ASP A 32 6.655 14.412 5.631 1.00 0.00 H new ATOM 0 HA ASP A 32 6.563 14.009 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.117 15.964 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.336 15.384 8.228 1.00 0.00 H new ATOM 430 N MET A 33 5.462 12.135 6.542 1.00 0.00 N ATOM 431 CA MET A 33 4.606 11.005 6.201 1.00 0.00 C ATOM 432 C MET A 33 5.020 9.757 6.973 1.00 0.00 C ATOM 433 O MET A 33 6.205 9.536 7.225 1.00 0.00 O ATOM 434 CB MET A 33 4.662 10.731 4.697 1.00 0.00 C ATOM 435 CG MET A 33 3.786 11.663 3.876 1.00 0.00 C ATOM 436 SD MET A 33 4.052 11.484 2.102 1.00 0.00 S ATOM 437 CE MET A 33 3.763 9.729 1.891 1.00 0.00 C ATOM 0 H MET A 33 6.384 12.112 6.106 1.00 0.00 H new ATOM 0 HA MET A 33 3.583 11.259 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.694 10.823 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.356 9.701 4.512 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.739 11.465 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.987 12.694 4.167 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.695 9.238 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.398 9.305 2.827 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.021 9.574 1.108 1.00 0.00 H new ATOM 447 N SER A 34 4.037 8.944 7.346 1.00 0.00 N ATOM 448 CA SER A 34 4.300 7.719 8.093 1.00 0.00 C ATOM 449 C SER A 34 3.408 6.582 7.604 1.00 0.00 C ATOM 450 O SER A 34 2.185 6.641 7.728 1.00 0.00 O ATOM 451 CB SER A 34 4.076 7.951 9.589 1.00 0.00 C ATOM 452 OG SER A 34 4.940 8.960 10.083 1.00 0.00 O ATOM 0 H SER A 34 3.051 9.111 7.143 1.00 0.00 H new ATOM 0 HA SER A 34 5.340 7.438 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.039 8.238 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.247 7.023 10.134 1.00 0.00 H new ATOM 0 HG SER A 34 4.776 9.091 11.040 1.00 0.00 H new ATOM 458 N ALA A 35 4.030 5.548 7.048 1.00 0.00 N ATOM 459 CA ALA A 35 3.294 4.396 6.542 1.00 0.00 C ATOM 460 C ALA A 35 3.679 3.126 7.292 1.00 0.00 C ATOM 461 O ALA A 35 4.852 2.901 7.592 1.00 0.00 O ATOM 462 CB ALA A 35 3.541 4.226 5.050 1.00 0.00 C ATOM 0 H ALA A 35 5.042 5.484 6.936 1.00 0.00 H new ATOM 0 HA ALA A 35 2.231 4.575 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.985 3.362 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.209 5.120 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.606 4.074 4.872 1.00 0.00 H new ATOM 468 N HIS A 36 2.684 2.297 7.593 1.00 0.00 N ATOM 469 CA HIS A 36 2.919 1.049 8.310 1.00 0.00 C ATOM 470 C HIS A 36 2.019 -0.061 7.776 1.00 0.00 C ATOM 471 O HIS A 36 0.801 0.098 7.697 1.00 0.00 O ATOM 472 CB HIS A 36 2.678 1.242 9.807 1.00 0.00 C ATOM 473 CG HIS A 36 3.530 2.311 10.418 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.063 3.580 10.693 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.826 2.296 10.809 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.036 4.298 11.225 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.116 3.543 11.306 1.00 0.00 N ATOM 0 H HIS A 36 1.708 2.467 7.351 1.00 0.00 H new ATOM 0 HA HIS A 36 3.958 0.758 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.629 1.489 9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.867 0.300 10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.505 1.459 10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.961 5.328 11.540 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.019 3.838 11.677 1.00 0.00 H new ATOM 486 N VAL A 37 2.626 -1.186 7.411 1.00 0.00 N ATOM 487 CA VAL A 37 1.880 -2.323 6.886 1.00 0.00 C ATOM 488 C VAL A 37 1.453 -3.265 8.005 1.00 0.00 C ATOM 489 O VAL A 37 2.227 -4.117 8.444 1.00 0.00 O ATOM 490 CB VAL A 37 2.709 -3.111 5.854 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.998 -4.399 5.469 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.983 -2.255 4.626 1.00 0.00 C ATOM 0 H VAL A 37 3.634 -1.334 7.469 1.00 0.00 H new ATOM 0 HA VAL A 37 0.993 -1.920 6.397 1.00 0.00 H new ATOM 0 HB VAL A 37 3.665 -3.374 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.599 -4.942 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.859 -5.017 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.026 -4.163 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.570 -2.827 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.038 -1.960 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.538 -1.364 4.920 1.00 0.00 H new ATOM 502 N THR A 38 0.216 -3.108 8.465 1.00 0.00 N ATOM 503 CA THR A 38 -0.314 -3.944 9.535 1.00 0.00 C ATOM 504 C THR A 38 -0.920 -5.228 8.980 1.00 0.00 C ATOM 505 O THR A 38 -1.621 -5.208 7.968 1.00 0.00 O ATOM 506 CB THR A 38 -1.384 -3.197 10.354 1.00 0.00 C ATOM 507 OG1 THR A 38 -0.868 -1.939 10.802 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.825 -4.026 11.551 1.00 0.00 C ATOM 0 H THR A 38 -0.438 -2.409 8.113 1.00 0.00 H new ATOM 0 HA THR A 38 0.524 -4.193 10.187 1.00 0.00 H new ATOM 0 HB THR A 38 -2.248 -3.026 9.712 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.555 -1.470 11.320 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.581 -3.478 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.244 -4.971 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.966 -4.224 12.193 1.00 0.00 H new ATOM 516 N SER A 39 -0.646 -6.343 9.649 1.00 0.00 N ATOM 517 CA SER A 39 -1.161 -7.638 9.220 1.00 0.00 C ATOM 518 C SER A 39 -2.389 -8.031 10.036 1.00 0.00 C ATOM 519 O SER A 39 -2.562 -7.618 11.182 1.00 0.00 O ATOM 520 CB SER A 39 -0.080 -8.712 9.355 1.00 0.00 C ATOM 521 OG SER A 39 0.943 -8.530 8.392 1.00 0.00 O ATOM 0 H SER A 39 -0.070 -6.376 10.490 1.00 0.00 H new ATOM 0 HA SER A 39 -1.452 -7.556 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.349 -8.677 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.526 -9.699 9.234 1.00 0.00 H new ATOM 0 HG SER A 39 1.622 -7.919 8.748 1.00 0.00 H new ATOM 527 N PRO A 40 -3.264 -8.849 9.431 1.00 0.00 N ATOM 528 CA PRO A 40 -4.491 -9.316 10.082 1.00 0.00 C ATOM 529 C PRO A 40 -4.209 -10.296 11.215 1.00 0.00 C ATOM 530 O PRO A 40 -5.126 -10.752 11.898 1.00 0.00 O ATOM 531 CB PRO A 40 -5.250 -10.013 8.950 1.00 0.00 C ATOM 532 CG PRO A 40 -4.193 -10.432 7.987 1.00 0.00 C ATOM 533 CD PRO A 40 -3.121 -9.380 8.065 1.00 0.00 C ATOM 0 HA PRO A 40 -5.043 -8.498 10.544 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.812 -10.871 9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.968 -9.340 8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.796 -11.414 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.594 -10.507 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.130 -9.803 7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.265 -8.603 7.314 1.00 0.00 H new ATOM 541 N SER A 41 -2.933 -10.617 11.410 1.00 0.00 N ATOM 542 CA SER A 41 -2.531 -11.546 12.460 1.00 0.00 C ATOM 543 C SER A 41 -2.008 -10.794 13.680 1.00 0.00 C ATOM 544 O SER A 41 -1.894 -11.357 14.768 1.00 0.00 O ATOM 545 CB SER A 41 -1.457 -12.503 11.938 1.00 0.00 C ATOM 546 OG SER A 41 -0.288 -11.799 11.557 1.00 0.00 O ATOM 0 H SER A 41 -2.161 -10.248 10.855 1.00 0.00 H new ATOM 0 HA SER A 41 -3.408 -12.121 12.758 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.210 -13.233 12.709 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.845 -13.059 11.084 1.00 0.00 H new ATOM 0 HG SER A 41 0.383 -12.433 11.229 1.00 0.00 H new ATOM 552 N GLY A 42 -1.692 -9.517 13.490 1.00 0.00 N ATOM 553 CA GLY A 42 -1.185 -8.708 14.582 1.00 0.00 C ATOM 554 C GLY A 42 0.267 -8.317 14.389 1.00 0.00 C ATOM 555 O GLY A 42 0.971 -8.021 15.355 1.00 0.00 O ATOM 0 H GLY A 42 -1.778 -9.028 12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.791 -7.807 14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.288 -9.259 15.517 1.00 0.00 H new ATOM 559 N ARG A 43 0.717 -8.316 13.139 1.00 0.00 N ATOM 560 CA ARG A 43 2.095 -7.961 12.822 1.00 0.00 C ATOM 561 C ARG A 43 2.146 -6.750 11.895 1.00 0.00 C ATOM 562 O ARG A 43 1.634 -6.790 10.776 1.00 0.00 O ATOM 563 CB ARG A 43 2.812 -9.146 12.172 1.00 0.00 C ATOM 564 CG ARG A 43 4.249 -8.845 11.777 1.00 0.00 C ATOM 565 CD ARG A 43 4.772 -9.854 10.766 1.00 0.00 C ATOM 566 NE ARG A 43 5.348 -11.029 11.414 1.00 0.00 N ATOM 567 CZ ARG A 43 6.228 -11.834 10.829 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.631 -11.591 9.589 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.708 -12.883 11.484 1.00 0.00 N ATOM 0 H ARG A 43 0.147 -8.557 12.328 1.00 0.00 H new ATOM 0 HA ARG A 43 2.601 -7.705 13.753 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.803 -9.989 12.863 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.257 -9.454 11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.309 -7.842 11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.882 -8.856 12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.959 -10.164 10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.526 -9.380 10.138 1.00 0.00 H new ATOM 0 HE ARG A 43 5.059 -11.243 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.265 -10.785 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.307 -12.210 9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.401 -13.072 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.384 -13.500 11.033 1.00 0.00 H new ATOM 583 N VAL A 44 2.766 -5.675 12.369 1.00 0.00 N ATOM 584 CA VAL A 44 2.885 -4.452 11.583 1.00 0.00 C ATOM 585 C VAL A 44 4.344 -4.037 11.429 1.00 0.00 C ATOM 586 O VAL A 44 5.142 -4.177 12.356 1.00 0.00 O ATOM 587 CB VAL A 44 2.098 -3.294 12.225 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.476 -3.138 13.690 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.339 -2.000 11.463 1.00 0.00 C ATOM 0 H VAL A 44 3.194 -5.625 13.294 1.00 0.00 H new ATOM 0 HA VAL A 44 2.466 -4.665 10.600 1.00 0.00 H new ATOM 0 HB VAL A 44 1.035 -3.528 12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.910 -2.315 14.126 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.247 -4.060 14.225 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.542 -2.927 13.770 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.775 -1.192 11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.402 -1.759 11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.013 -2.120 10.430 1.00 0.00 H new ATOM 599 N THR A 45 4.686 -3.524 10.251 1.00 0.00 N ATOM 600 CA THR A 45 6.049 -3.089 9.975 1.00 0.00 C ATOM 601 C THR A 45 6.067 -1.691 9.367 1.00 0.00 C ATOM 602 O THR A 45 5.017 -1.104 9.108 1.00 0.00 O ATOM 603 CB THR A 45 6.767 -4.061 9.019 1.00 0.00 C ATOM 604 OG1 THR A 45 5.837 -4.584 8.064 1.00 0.00 O ATOM 605 CG2 THR A 45 7.406 -5.205 9.791 1.00 0.00 C ATOM 0 H THR A 45 4.038 -3.400 9.473 1.00 0.00 H new ATOM 0 HA THR A 45 6.575 -3.075 10.929 1.00 0.00 H new ATOM 0 HB THR A 45 7.552 -3.512 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.301 -5.200 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.907 -5.878 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.134 -4.806 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.636 -5.752 10.334 1.00 0.00 H new ATOM 613 N GLU A 46 7.267 -1.164 9.141 1.00 0.00 N ATOM 614 CA GLU A 46 7.420 0.166 8.564 1.00 0.00 C ATOM 615 C GLU A 46 7.721 0.079 7.070 1.00 0.00 C ATOM 616 O GLU A 46 8.638 -0.626 6.651 1.00 0.00 O ATOM 617 CB GLU A 46 8.537 0.931 9.277 1.00 0.00 C ATOM 618 CG GLU A 46 8.506 2.429 9.024 1.00 0.00 C ATOM 619 CD GLU A 46 9.353 3.205 10.014 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.574 2.949 10.080 1.00 0.00 O ATOM 621 OE2 GLU A 46 8.795 4.068 10.722 1.00 0.00 O ATOM 0 H GLU A 46 8.146 -1.638 9.349 1.00 0.00 H new ATOM 0 HA GLU A 46 6.481 0.702 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.462 0.750 10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.500 0.536 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.859 2.630 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.476 2.782 9.078 1.00 0.00 H new ATOM 628 N ALA A 47 6.940 0.801 6.272 1.00 0.00 N ATOM 629 CA ALA A 47 7.123 0.807 4.826 1.00 0.00 C ATOM 630 C ALA A 47 8.042 1.944 4.394 1.00 0.00 C ATOM 631 O ALA A 47 8.262 2.895 5.144 1.00 0.00 O ATOM 632 CB ALA A 47 5.778 0.917 4.124 1.00 0.00 C ATOM 0 H ALA A 47 6.175 1.389 6.603 1.00 0.00 H new ATOM 0 HA ALA A 47 7.593 -0.134 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.930 0.920 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.153 0.068 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.286 1.842 4.424 1.00 0.00 H new ATOM 638 N GLU A 48 8.577 1.839 3.182 1.00 0.00 N ATOM 639 CA GLU A 48 9.474 2.859 2.652 1.00 0.00 C ATOM 640 C GLU A 48 8.728 3.809 1.720 1.00 0.00 C ATOM 641 O GLU A 48 7.851 3.391 0.963 1.00 0.00 O ATOM 642 CB GLU A 48 10.640 2.207 1.906 1.00 0.00 C ATOM 643 CG GLU A 48 11.588 3.207 1.264 1.00 0.00 C ATOM 644 CD GLU A 48 12.915 2.585 0.874 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.926 1.743 -0.049 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.941 2.940 1.490 1.00 0.00 O ATOM 0 H GLU A 48 8.405 1.058 2.549 1.00 0.00 H new ATOM 0 HA GLU A 48 9.865 3.434 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.201 1.582 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.243 1.548 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.116 3.632 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.766 4.030 1.957 1.00 0.00 H new ATOM 653 N ILE A 49 9.082 5.088 1.781 1.00 0.00 N ATOM 654 CA ILE A 49 8.446 6.097 0.943 1.00 0.00 C ATOM 655 C ILE A 49 9.435 6.680 -0.061 1.00 0.00 C ATOM 656 O ILE A 49 10.008 7.746 0.163 1.00 0.00 O ATOM 657 CB ILE A 49 7.857 7.241 1.789 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.868 6.688 2.817 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.179 8.267 0.893 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.464 7.695 3.870 1.00 0.00 C ATOM 0 H ILE A 49 9.806 5.450 2.402 1.00 0.00 H new ATOM 0 HA ILE A 49 7.638 5.599 0.407 1.00 0.00 H new ATOM 0 HB ILE A 49 8.670 7.734 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.975 6.339 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.312 5.821 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.768 9.069 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.908 8.680 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.375 7.788 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.762 7.234 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.348 8.026 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.990 8.552 3.391 1.00 0.00 H new ATOM 672 N VAL A 50 9.629 5.973 -1.170 1.00 0.00 N ATOM 673 CA VAL A 50 10.546 6.421 -2.211 1.00 0.00 C ATOM 674 C VAL A 50 10.043 7.699 -2.874 1.00 0.00 C ATOM 675 O VAL A 50 8.888 7.800 -3.287 1.00 0.00 O ATOM 676 CB VAL A 50 10.743 5.339 -3.290 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.598 5.871 -4.430 1.00 0.00 C ATOM 678 CG2 VAL A 50 11.365 4.090 -2.684 1.00 0.00 C ATOM 0 H VAL A 50 9.163 5.088 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 50 11.502 6.618 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 50 9.767 5.072 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.726 5.093 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.108 6.734 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.574 6.168 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.497 3.336 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.334 4.339 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.710 3.698 -1.906 1.00 0.00 H new ATOM 688 N PRO A 51 10.931 8.699 -2.981 1.00 0.00 N ATOM 689 CA PRO A 51 10.600 9.988 -3.595 1.00 0.00 C ATOM 690 C PRO A 51 10.396 9.878 -5.102 1.00 0.00 C ATOM 691 O PRO A 51 11.358 9.784 -5.863 1.00 0.00 O ATOM 692 CB PRO A 51 11.824 10.854 -3.283 1.00 0.00 C ATOM 693 CG PRO A 51 12.940 9.883 -3.110 1.00 0.00 C ATOM 694 CD PRO A 51 12.325 8.648 -2.512 1.00 0.00 C ATOM 0 HA PRO A 51 9.664 10.394 -3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.030 11.554 -4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.671 11.446 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.414 9.659 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.713 10.289 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.830 7.743 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.383 8.657 -1.424 1.00 0.00 H new ATOM 702 N MET A 52 9.136 9.891 -5.526 1.00 0.00 N ATOM 703 CA MET A 52 8.807 9.794 -6.943 1.00 0.00 C ATOM 704 C MET A 52 8.850 11.167 -7.607 1.00 0.00 C ATOM 705 O MET A 52 9.441 11.333 -8.673 1.00 0.00 O ATOM 706 CB MET A 52 7.422 9.170 -7.125 1.00 0.00 C ATOM 707 CG MET A 52 7.391 7.673 -6.866 1.00 0.00 C ATOM 708 SD MET A 52 8.280 6.732 -8.121 1.00 0.00 S ATOM 709 CE MET A 52 6.921 5.947 -8.983 1.00 0.00 C ATOM 0 H MET A 52 8.327 9.968 -4.909 1.00 0.00 H new ATOM 0 HA MET A 52 9.551 9.156 -7.420 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.720 9.661 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.077 9.362 -8.141 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.826 7.468 -5.888 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.355 7.336 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.311 5.328 -9.791 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.360 5.323 -8.287 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.263 6.711 -9.397 1.00 0.00 H new ATOM 719 N GLY A 53 8.220 12.148 -6.968 1.00 0.00 N ATOM 720 CA GLY A 53 8.199 13.493 -7.512 1.00 0.00 C ATOM 721 C GLY A 53 7.971 14.546 -6.446 1.00 0.00 C ATOM 722 O GLY A 53 8.135 14.281 -5.255 1.00 0.00 O ATOM 0 H GLY A 53 7.724 12.035 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.144 13.692 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.413 13.565 -8.264 1.00 0.00 H new ATOM 726 N LYS A 54 7.594 15.747 -6.873 1.00 0.00 N ATOM 727 CA LYS A 54 7.343 16.845 -5.948 1.00 0.00 C ATOM 728 C LYS A 54 6.249 16.477 -4.950 1.00 0.00 C ATOM 729 O LYS A 54 6.470 16.488 -3.740 1.00 0.00 O ATOM 730 CB LYS A 54 6.944 18.106 -6.716 1.00 0.00 C ATOM 731 CG LYS A 54 8.128 18.908 -7.227 1.00 0.00 C ATOM 732 CD LYS A 54 8.901 19.549 -6.087 1.00 0.00 C ATOM 733 CE LYS A 54 9.998 20.468 -6.604 1.00 0.00 C ATOM 734 NZ LYS A 54 9.480 21.827 -6.920 1.00 0.00 N ATOM 0 H LYS A 54 7.456 15.984 -7.855 1.00 0.00 H new ATOM 0 HA LYS A 54 8.263 17.039 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.316 17.823 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.339 18.740 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.791 18.257 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.777 19.682 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.217 20.117 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.341 18.772 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.789 20.545 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.445 20.033 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.258 22.423 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.743 21.756 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.076 22.253 -6.061 1.00 0.00 H new ATOM 748 N ASN A 55 5.069 16.150 -5.467 1.00 0.00 N ATOM 749 CA ASN A 55 3.941 15.778 -4.621 1.00 0.00 C ATOM 750 C ASN A 55 3.498 14.345 -4.904 1.00 0.00 C ATOM 751 O ASN A 55 2.304 14.052 -4.955 1.00 0.00 O ATOM 752 CB ASN A 55 2.771 16.738 -4.843 1.00 0.00 C ATOM 753 CG ASN A 55 2.392 16.858 -6.307 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.262 15.856 -7.010 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.212 18.089 -6.772 1.00 0.00 N ATOM 0 H ASN A 55 4.869 16.135 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 55 4.262 15.842 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.908 16.392 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.034 17.723 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.955 18.233 -7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.331 18.891 -6.152 1.00 0.00 H new ATOM 762 N SER A 56 4.470 13.457 -5.087 1.00 0.00 N ATOM 763 CA SER A 56 4.181 12.055 -5.369 1.00 0.00 C ATOM 764 C SER A 56 4.946 11.141 -4.417 1.00 0.00 C ATOM 765 O SER A 56 6.165 11.250 -4.278 1.00 0.00 O ATOM 766 CB SER A 56 4.541 11.719 -6.817 1.00 0.00 C ATOM 767 OG SER A 56 3.572 12.230 -7.716 1.00 0.00 O ATOM 0 H SER A 56 5.464 13.683 -5.045 1.00 0.00 H new ATOM 0 HA SER A 56 3.113 11.893 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.519 12.135 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.616 10.638 -6.935 1.00 0.00 H new ATOM 0 HG SER A 56 3.826 12.003 -8.635 1.00 0.00 H new ATOM 773 N HIS A 57 4.222 10.239 -3.762 1.00 0.00 N ATOM 774 CA HIS A 57 4.831 9.305 -2.823 1.00 0.00 C ATOM 775 C HIS A 57 4.585 7.862 -3.254 1.00 0.00 C ATOM 776 O HIS A 57 3.508 7.528 -3.750 1.00 0.00 O ATOM 777 CB HIS A 57 4.279 9.530 -1.415 1.00 0.00 C ATOM 778 CG HIS A 57 3.921 10.957 -1.133 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.851 11.908 -0.770 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.727 11.593 -1.165 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.243 13.067 -0.589 1.00 0.00 C ATOM 782 NE2 HIS A 57 2.954 12.903 -0.823 1.00 0.00 N ATOM 0 H HIS A 57 3.212 10.135 -3.865 1.00 0.00 H new ATOM 0 HA HIS A 57 5.906 9.485 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.395 8.908 -1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.019 9.199 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.773 11.152 -1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.720 13.992 -0.299 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.243 13.631 -0.760 1.00 0.00 H new ATOM 791 N CYS A 58 5.587 7.013 -3.062 1.00 0.00 N ATOM 792 CA CYS A 58 5.480 5.606 -3.433 1.00 0.00 C ATOM 793 C CYS A 58 5.782 4.705 -2.240 1.00 0.00 C ATOM 794 O CYS A 58 6.853 4.790 -1.640 1.00 0.00 O ATOM 795 CB CYS A 58 6.434 5.286 -4.584 1.00 0.00 C ATOM 796 SG CYS A 58 5.924 3.877 -5.595 1.00 0.00 S ATOM 0 H CYS A 58 6.484 7.274 -2.651 1.00 0.00 H new ATOM 0 HA CYS A 58 4.456 5.418 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.523 6.165 -5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.425 5.087 -4.176 1.00 0.00 H new ATOM 0 HG CYS A 58 6.793 3.686 -6.543 1.00 0.00 H new ATOM 802 N VAL A 59 4.830 3.842 -1.901 1.00 0.00 N ATOM 803 CA VAL A 59 4.994 2.924 -0.779 1.00 0.00 C ATOM 804 C VAL A 59 5.278 1.508 -1.265 1.00 0.00 C ATOM 805 O VAL A 59 4.375 0.799 -1.709 1.00 0.00 O ATOM 806 CB VAL A 59 3.742 2.906 0.118 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.941 1.961 1.293 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.413 4.310 0.602 1.00 0.00 C ATOM 0 H VAL A 59 3.937 3.759 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 59 5.844 3.282 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 59 2.900 2.543 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.046 1.961 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.125 0.953 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.795 2.291 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.526 4.278 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.253 4.704 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.224 4.956 -0.256 1.00 0.00 H new ATOM 818 N ARG A 60 6.541 1.101 -1.178 1.00 0.00 N ATOM 819 CA ARG A 60 6.945 -0.232 -1.609 1.00 0.00 C ATOM 820 C ARG A 60 6.970 -1.201 -0.430 1.00 0.00 C ATOM 821 O ARG A 60 7.652 -0.963 0.567 1.00 0.00 O ATOM 822 CB ARG A 60 8.324 -0.180 -2.270 1.00 0.00 C ATOM 823 CG ARG A 60 9.092 -1.489 -2.180 1.00 0.00 C ATOM 824 CD ARG A 60 10.179 -1.571 -3.239 1.00 0.00 C ATOM 825 NE ARG A 60 11.160 -2.611 -2.938 1.00 0.00 N ATOM 826 CZ ARG A 60 11.993 -3.119 -3.840 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.965 -2.684 -5.092 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.856 -4.063 -3.490 1.00 0.00 N ATOM 0 H ARG A 60 7.301 1.675 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 60 6.214 -0.589 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.205 0.090 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.912 0.610 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.539 -1.582 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.403 -2.325 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.725 -1.771 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.684 -0.608 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 60 11.208 -2.967 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.303 -1.958 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.606 -3.076 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.881 -4.400 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.495 -4.452 -4.183 1.00 0.00 H new ATOM 842 N PHE A 61 6.223 -2.292 -0.552 1.00 0.00 N ATOM 843 CA PHE A 61 6.158 -3.297 0.503 1.00 0.00 C ATOM 844 C PHE A 61 5.794 -4.664 -0.069 1.00 0.00 C ATOM 845 O PHE A 61 5.317 -4.770 -1.199 1.00 0.00 O ATOM 846 CB PHE A 61 5.134 -2.886 1.564 1.00 0.00 C ATOM 847 CG PHE A 61 3.716 -2.912 1.071 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.026 -4.109 0.968 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.073 -1.739 0.710 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.720 -4.136 0.514 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.768 -1.759 0.256 1.00 0.00 C ATOM 852 CZ PHE A 61 1.091 -2.960 0.157 1.00 0.00 C ATOM 0 H PHE A 61 5.653 -2.504 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 61 7.143 -3.367 0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.224 -3.553 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.370 -1.881 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.514 -5.032 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.598 -0.798 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.193 -5.076 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.278 -0.837 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.072 -2.978 -0.199 1.00 0.00 H new ATOM 862 N VAL A 62 6.023 -5.709 0.721 1.00 0.00 N ATOM 863 CA VAL A 62 5.720 -7.069 0.295 1.00 0.00 C ATOM 864 C VAL A 62 4.590 -7.667 1.127 1.00 0.00 C ATOM 865 O VAL A 62 4.771 -8.044 2.284 1.00 0.00 O ATOM 866 CB VAL A 62 6.957 -7.980 0.401 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.609 -9.404 -0.004 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.093 -7.436 -0.453 1.00 0.00 C ATOM 0 H VAL A 62 6.417 -5.639 1.659 1.00 0.00 H new ATOM 0 HA VAL A 62 5.409 -7.011 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 62 7.288 -7.995 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.496 -10.032 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.830 -9.789 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.252 -9.412 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.959 -8.092 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.775 -7.390 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.359 -6.436 -0.110 1.00 0.00 H new ATOM 878 N PRO A 63 3.395 -7.756 0.524 1.00 0.00 N ATOM 879 CA PRO A 63 2.212 -8.308 1.191 1.00 0.00 C ATOM 880 C PRO A 63 2.321 -9.812 1.414 1.00 0.00 C ATOM 881 O PRO A 63 3.337 -10.424 1.087 1.00 0.00 O ATOM 882 CB PRO A 63 1.076 -7.993 0.214 1.00 0.00 C ATOM 883 CG PRO A 63 1.738 -7.889 -1.116 1.00 0.00 C ATOM 884 CD PRO A 63 3.107 -7.326 -0.854 1.00 0.00 C ATOM 0 HA PRO A 63 2.069 -7.884 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.320 -8.778 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.572 -7.064 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.803 -8.865 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.171 -7.241 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.843 -7.715 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.119 -6.240 -0.947 1.00 0.00 H new ATOM 892 N GLN A 64 1.268 -10.401 1.972 1.00 0.00 N ATOM 893 CA GLN A 64 1.248 -11.834 2.239 1.00 0.00 C ATOM 894 C GLN A 64 0.243 -12.542 1.335 1.00 0.00 C ATOM 895 O GLN A 64 -0.513 -11.898 0.609 1.00 0.00 O ATOM 896 CB GLN A 64 0.904 -12.097 3.706 1.00 0.00 C ATOM 897 CG GLN A 64 1.983 -11.639 4.674 1.00 0.00 C ATOM 898 CD GLN A 64 3.286 -12.394 4.495 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.543 -13.383 5.182 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.117 -11.930 3.569 1.00 0.00 N ATOM 0 H GLN A 64 0.418 -9.908 2.248 1.00 0.00 H new ATOM 0 HA GLN A 64 2.241 -12.230 2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.030 -11.589 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.732 -13.164 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.163 -10.573 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.629 -11.771 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.863 -11.107 3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.009 -12.397 3.404 1.00 0.00 H new ATOM 909 N GLU A 65 0.242 -13.870 1.386 1.00 0.00 N ATOM 910 CA GLU A 65 -0.670 -14.664 0.570 1.00 0.00 C ATOM 911 C GLU A 65 -2.042 -14.766 1.230 1.00 0.00 C ATOM 912 O GLU A 65 -2.151 -15.084 2.414 1.00 0.00 O ATOM 913 CB GLU A 65 -0.097 -16.064 0.341 1.00 0.00 C ATOM 914 CG GLU A 65 0.212 -16.813 1.627 1.00 0.00 C ATOM 915 CD GLU A 65 0.702 -18.226 1.375 1.00 0.00 C ATOM 916 OE1 GLU A 65 -0.106 -19.062 0.918 1.00 0.00 O ATOM 917 OE2 GLU A 65 1.893 -18.496 1.636 1.00 0.00 O ATOM 0 H GLU A 65 0.861 -14.418 1.983 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.785 -14.164 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.806 -16.646 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.815 -15.982 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.968 -16.265 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.684 -16.848 2.247 1.00 0.00 H new ATOM 924 N MET A 66 -3.086 -14.493 0.455 1.00 0.00 N ATOM 925 CA MET A 66 -4.452 -14.555 0.964 1.00 0.00 C ATOM 926 C MET A 66 -4.555 -13.879 2.327 1.00 0.00 C ATOM 927 O MET A 66 -5.083 -14.455 3.278 1.00 0.00 O ATOM 928 CB MET A 66 -4.916 -16.009 1.066 1.00 0.00 C ATOM 929 CG MET A 66 -4.987 -16.720 -0.276 1.00 0.00 C ATOM 930 SD MET A 66 -3.391 -17.369 -0.805 1.00 0.00 S ATOM 931 CE MET A 66 -3.074 -16.356 -2.247 1.00 0.00 C ATOM 0 H MET A 66 -3.013 -14.227 -0.527 1.00 0.00 H new ATOM 0 HA MET A 66 -5.098 -14.024 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.236 -16.554 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.900 -16.036 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.704 -17.538 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.361 -16.027 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.008 -16.139 -2.312 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.391 -16.889 -3.143 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.630 -15.422 -2.165 1.00 0.00 H new ATOM 941 N GLY A 67 -4.046 -12.654 2.416 1.00 0.00 N ATOM 942 CA GLY A 67 -4.091 -11.921 3.668 1.00 0.00 C ATOM 943 C GLY A 67 -4.466 -10.465 3.474 1.00 0.00 C ATOM 944 O GLY A 67 -3.874 -9.769 2.649 1.00 0.00 O ATOM 0 H GLY A 67 -3.603 -12.156 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.812 -12.393 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.118 -11.981 4.156 1.00 0.00 H new ATOM 948 N VAL A 68 -5.453 -10.003 4.235 1.00 0.00 N ATOM 949 CA VAL A 68 -5.907 -8.621 4.143 1.00 0.00 C ATOM 950 C VAL A 68 -5.112 -7.718 5.080 1.00 0.00 C ATOM 951 O VAL A 68 -5.204 -7.839 6.302 1.00 0.00 O ATOM 952 CB VAL A 68 -7.405 -8.498 4.478 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.877 -7.063 4.299 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.222 -9.448 3.616 1.00 0.00 C ATOM 0 H VAL A 68 -5.954 -10.566 4.922 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.746 -8.303 3.113 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.550 -8.774 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.938 -6.996 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.312 -6.409 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.720 -6.755 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.278 -9.348 3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.073 -9.204 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.901 -10.473 3.800 1.00 0.00 H new ATOM 964 N HIS A 69 -4.332 -6.811 4.499 1.00 0.00 N ATOM 965 CA HIS A 69 -3.522 -5.886 5.283 1.00 0.00 C ATOM 966 C HIS A 69 -4.166 -4.504 5.329 1.00 0.00 C ATOM 967 O HIS A 69 -5.189 -4.262 4.687 1.00 0.00 O ATOM 968 CB HIS A 69 -2.113 -5.786 4.696 1.00 0.00 C ATOM 969 CG HIS A 69 -1.468 -7.116 4.456 1.00 0.00 C ATOM 970 ND1 HIS A 69 -2.011 -8.077 3.628 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.319 -7.643 4.939 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.223 -9.138 3.614 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.189 -8.900 4.401 1.00 0.00 N ATOM 0 H HIS A 69 -4.244 -6.697 3.489 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.457 -6.271 6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.159 -5.238 3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.487 -5.205 5.373 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.884 -7.983 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.368 -7.164 5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.395 -10.045 3.054 1.00 0.00 H new ATOM 982 N THR A 70 -3.561 -3.599 6.092 1.00 0.00 N ATOM 983 CA THR A 70 -4.077 -2.242 6.224 1.00 0.00 C ATOM 984 C THR A 70 -2.945 -1.222 6.224 1.00 0.00 C ATOM 985 O THR A 70 -2.042 -1.281 7.059 1.00 0.00 O ATOM 986 CB THR A 70 -4.902 -2.077 7.514 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.627 -3.281 7.789 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.872 -0.912 7.390 1.00 0.00 C ATOM 0 H THR A 70 -2.713 -3.781 6.628 1.00 0.00 H new ATOM 0 HA THR A 70 -4.723 -2.064 5.364 1.00 0.00 H new ATOM 0 HB THR A 70 -4.215 -1.872 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.148 -3.169 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.444 -0.815 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.315 0.007 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.553 -1.093 6.559 1.00 0.00 H new ATOM 996 N VAL A 71 -2.998 -0.285 5.282 1.00 0.00 N ATOM 997 CA VAL A 71 -1.977 0.751 5.175 1.00 0.00 C ATOM 998 C VAL A 71 -2.348 1.976 6.004 1.00 0.00 C ATOM 999 O VAL A 71 -3.264 2.720 5.654 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.764 1.180 3.711 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.722 2.284 3.625 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.361 -0.014 2.860 1.00 0.00 C ATOM 0 H VAL A 71 -3.737 -0.222 4.582 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.051 0.324 5.559 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.705 1.571 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.585 2.574 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.057 3.147 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.224 1.924 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.215 0.307 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.433 -0.437 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.146 -0.769 2.897 1.00 0.00 H new ATOM 1012 N SER A 72 -1.630 2.179 7.104 1.00 0.00 N ATOM 1013 CA SER A 72 -1.886 3.312 7.985 1.00 0.00 C ATOM 1014 C SER A 72 -0.995 4.496 7.620 1.00 0.00 C ATOM 1015 O SER A 72 0.200 4.503 7.915 1.00 0.00 O ATOM 1016 CB SER A 72 -1.652 2.914 9.444 1.00 0.00 C ATOM 1017 OG SER A 72 -2.688 2.071 9.914 1.00 0.00 O ATOM 0 H SER A 72 -0.867 1.574 7.406 1.00 0.00 H new ATOM 0 HA SER A 72 -2.927 3.610 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.693 2.403 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.597 3.809 10.064 1.00 0.00 H new ATOM 0 HG SER A 72 -2.515 1.829 10.848 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.586 5.496 6.975 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.848 6.687 6.569 1.00 0.00 C ATOM 1025 C VAL A 73 -1.300 7.910 7.360 1.00 0.00 C ATOM 1026 O VAL A 73 -2.360 8.477 7.095 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.020 6.969 5.065 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.186 8.170 4.648 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.649 5.741 4.247 1.00 0.00 C ATOM 0 H VAL A 73 -2.574 5.506 6.722 1.00 0.00 H new ATOM 0 HA VAL A 73 0.204 6.493 6.776 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.068 7.201 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.320 8.354 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.505 9.047 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.866 7.971 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.776 5.958 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.390 5.475 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.295 4.909 4.527 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.489 8.312 8.332 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.803 9.469 9.162 1.00 0.00 C ATOM 1041 C LYS A 74 0.029 10.678 8.747 1.00 0.00 C ATOM 1042 O LYS A 74 1.079 10.535 8.120 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.554 9.147 10.637 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.762 8.554 11.342 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.765 8.893 12.824 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.097 8.549 13.472 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.125 7.146 13.970 1.00 0.00 N ATOM 0 H LYS A 74 0.392 7.853 8.565 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.857 9.710 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.279 8.448 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.253 10.059 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.675 8.930 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.763 7.471 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.964 8.348 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.559 9.955 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.285 9.232 14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.901 8.694 12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.855 6.610 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.197 6.703 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.343 7.143 14.987 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.445 11.867 9.102 1.00 0.00 N ATOM 1062 CA TYR A 75 0.256 13.100 8.766 1.00 0.00 C ATOM 1063 C TYR A 75 0.254 14.067 9.946 1.00 0.00 C ATOM 1064 O TYR A 75 -0.790 14.595 10.329 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.391 13.763 7.549 1.00 0.00 C ATOM 1066 CG TYR A 75 0.193 15.117 7.214 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.422 15.226 6.574 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.482 16.287 7.539 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.961 16.460 6.267 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.048 17.526 7.234 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.270 17.607 6.598 1.00 0.00 C ATOM 1072 OH TYR A 75 1.802 18.839 6.295 1.00 0.00 O ATOM 0 H TYR A 75 -1.312 12.003 9.622 1.00 0.00 H new ATOM 0 HA TYR A 75 1.289 12.847 8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.281 13.106 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.460 13.873 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.965 14.330 6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.438 16.227 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.918 16.526 5.771 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.491 18.426 7.492 1.00 0.00 H new ATOM 0 HH TYR A 75 1.189 19.543 6.594 1.00 0.00 H new ATOM 1082 N ARG A 76 1.432 14.294 10.518 1.00 0.00 N ATOM 1083 CA ARG A 76 1.568 15.196 11.655 1.00 0.00 C ATOM 1084 C ARG A 76 0.611 14.805 12.777 1.00 0.00 C ATOM 1085 O ARG A 76 0.126 15.658 13.519 1.00 0.00 O ATOM 1086 CB ARG A 76 1.302 16.639 11.223 1.00 0.00 C ATOM 1087 CG ARG A 76 2.513 17.325 10.613 1.00 0.00 C ATOM 1088 CD ARG A 76 2.387 18.839 10.677 1.00 0.00 C ATOM 1089 NE ARG A 76 2.447 19.336 12.049 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.180 20.592 12.388 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.836 21.474 11.459 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.256 20.969 13.658 1.00 0.00 N ATOM 0 H ARG A 76 2.306 13.866 10.213 1.00 0.00 H new ATOM 0 HA ARG A 76 2.589 15.118 12.028 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.487 16.648 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.967 17.212 12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.414 17.011 11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.625 17.012 9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.186 19.294 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.445 19.144 10.222 1.00 0.00 H new ATOM 0 HE ARG A 76 2.708 18.683 12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.776 21.188 10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.631 22.438 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.520 20.294 14.376 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.051 21.934 13.917 1.00 0.00 H new ATOM 1106 N GLY A 77 0.342 13.508 12.894 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.557 13.027 13.927 1.00 0.00 C ATOM 1108 C GLY A 77 -2.015 13.214 13.559 1.00 0.00 C ATOM 1109 O GLY A 77 -2.829 13.596 14.400 1.00 0.00 O ATOM 0 H GLY A 77 0.731 12.782 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.364 11.970 14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.350 13.554 14.859 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.346 12.946 12.300 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.716 13.090 11.824 1.00 0.00 C ATOM 1115 C GLN A 78 -3.954 12.235 10.583 1.00 0.00 C ATOM 1116 O GLN A 78 -3.449 12.539 9.502 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.019 14.557 11.513 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.121 15.433 12.751 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.557 16.849 12.430 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -5.404 17.069 11.563 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -3.980 17.819 13.129 1.00 0.00 N ATOM 0 H GLN A 78 -1.684 12.628 11.592 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.386 12.747 12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.238 14.951 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.955 14.616 10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.830 14.988 13.449 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.154 15.460 13.253 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.283 17.591 13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.234 18.792 12.957 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.725 11.165 10.747 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.030 10.266 9.639 1.00 0.00 C ATOM 1132 C HIS A 79 -5.526 11.047 8.426 1.00 0.00 C ATOM 1133 O HIS A 79 -6.434 11.871 8.535 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.079 9.238 10.063 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.496 8.013 10.698 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.566 7.211 10.071 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.714 7.456 11.912 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.238 6.212 10.871 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.921 6.338 11.995 1.00 0.00 N ATOM 0 H HIS A 79 -5.150 10.899 11.635 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.113 9.745 9.363 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.771 9.705 10.763 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.660 8.943 9.189 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.190 7.365 9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.386 7.822 12.674 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.532 5.427 10.645 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.924 10.782 7.271 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.305 11.460 6.038 1.00 0.00 C ATOM 1150 C VAL A 80 -6.638 10.936 5.512 1.00 0.00 C ATOM 1151 O VAL A 80 -7.103 9.871 5.919 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.232 11.285 4.947 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.862 11.679 5.478 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.223 9.854 4.433 1.00 0.00 C ATOM 0 H VAL A 80 -4.171 10.103 7.164 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.402 12.519 6.276 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.475 11.944 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.117 11.549 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.880 12.723 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.607 11.048 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.459 9.749 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.005 9.173 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.199 9.613 4.011 1.00 0.00 H new ATOM 1164 N THR A 81 -7.248 11.692 4.605 1.00 0.00 N ATOM 1165 CA THR A 81 -8.527 11.306 4.023 1.00 0.00 C ATOM 1166 C THR A 81 -8.413 9.984 3.273 1.00 0.00 C ATOM 1167 O THR A 81 -7.647 9.866 2.317 1.00 0.00 O ATOM 1168 CB THR A 81 -9.056 12.386 3.061 1.00 0.00 C ATOM 1169 OG1 THR A 81 -9.127 13.648 3.733 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.431 12.010 2.529 1.00 0.00 C ATOM 0 H THR A 81 -6.876 12.576 4.257 1.00 0.00 H new ATOM 0 HA THR A 81 -9.229 11.192 4.849 1.00 0.00 H new ATOM 0 HB THR A 81 -8.367 12.462 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.463 14.330 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.784 12.788 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.367 11.063 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.128 11.909 3.361 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.181 8.991 3.711 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.151 7.691 3.068 1.00 0.00 C ATOM 1180 C GLY A 82 -8.450 6.643 3.910 1.00 0.00 C ATOM 1181 O GLY A 82 -8.911 5.506 4.010 1.00 0.00 O ATOM 0 H GLY A 82 -9.823 9.064 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.171 7.366 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.646 7.777 2.106 1.00 0.00 H new ATOM 1185 N SER A 83 -7.331 7.026 4.517 1.00 0.00 N ATOM 1186 CA SER A 83 -6.561 6.110 5.350 1.00 0.00 C ATOM 1187 C SER A 83 -7.263 5.868 6.683 1.00 0.00 C ATOM 1188 O SER A 83 -8.022 6.704 7.175 1.00 0.00 O ATOM 1189 CB SER A 83 -5.157 6.666 5.594 1.00 0.00 C ATOM 1190 OG SER A 83 -4.664 6.269 6.862 1.00 0.00 O ATOM 0 H SER A 83 -6.938 7.965 4.447 1.00 0.00 H new ATOM 0 HA SER A 83 -6.481 5.159 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.483 6.316 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.178 7.754 5.533 1.00 0.00 H new ATOM 0 HG SER A 83 -3.951 6.880 7.142 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.005 4.697 7.283 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.104 3.694 6.707 1.00 0.00 C ATOM 1198 C PRO A 84 -6.688 3.039 5.461 1.00 0.00 C ATOM 1199 O PRO A 84 -7.880 2.736 5.406 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.953 2.666 7.831 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.193 2.808 8.644 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.573 4.261 8.570 1.00 0.00 C ATOM 0 HA PRO A 84 -5.160 4.132 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.854 1.656 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.063 2.861 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.990 2.176 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.020 2.502 9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.654 4.396 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.159 4.828 9.404 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.840 2.822 4.460 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.272 2.202 3.213 1.00 0.00 C ATOM 1212 C PHE A 85 -6.179 0.681 3.300 1.00 0.00 C ATOM 1213 O PHE A 85 -5.091 0.123 3.432 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.424 2.710 2.045 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.483 4.200 1.865 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.525 4.785 1.163 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.498 5.015 2.397 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.581 6.155 0.995 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.549 6.387 2.232 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.593 6.957 1.531 1.00 0.00 C ATOM 0 H PHE A 85 -4.850 3.066 4.489 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.313 2.475 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.387 2.412 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.759 2.228 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.302 4.163 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.680 4.574 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.397 6.599 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.774 7.011 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.637 8.028 1.402 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.329 0.019 3.227 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.378 -1.437 3.299 1.00 0.00 C ATOM 1232 C GLN A 86 -7.366 -2.051 1.903 1.00 0.00 C ATOM 1233 O GLN A 86 -7.984 -1.526 0.977 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.626 -1.889 4.058 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.471 -3.243 4.732 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.801 -3.926 4.982 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.697 -3.894 4.139 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -9.936 -4.550 6.147 1.00 0.00 N ATOM 0 H GLN A 86 -8.239 0.467 3.118 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.493 -1.780 3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.872 -1.143 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.467 -1.931 3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.848 -3.885 4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.949 -3.115 5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.167 -4.551 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.809 -5.028 6.372 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.659 -3.167 1.759 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.566 -3.854 0.476 1.00 0.00 C ATOM 1249 C PHE A 87 -6.362 -5.353 0.674 1.00 0.00 C ATOM 1250 O PHE A 87 -5.664 -5.780 1.595 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.417 -3.276 -0.353 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.058 -3.636 0.174 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.546 -4.911 -0.006 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.291 -2.700 0.849 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.295 -5.245 0.478 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.040 -3.028 1.335 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.541 -4.302 1.149 1.00 0.00 C ATOM 0 H PHE A 87 -6.142 -3.615 2.515 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.504 -3.701 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.506 -3.631 -1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.511 -2.190 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.131 -5.652 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.676 -1.702 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.907 -6.242 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.453 -2.289 1.860 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.563 -4.561 1.527 1.00 0.00 H new ATOM 1267 N THR A 88 -6.976 -6.148 -0.197 1.00 0.00 N ATOM 1268 CA THR A 88 -6.863 -7.599 -0.118 1.00 0.00 C ATOM 1269 C THR A 88 -5.834 -8.126 -1.111 1.00 0.00 C ATOM 1270 O THR A 88 -5.716 -7.617 -2.226 1.00 0.00 O ATOM 1271 CB THR A 88 -8.217 -8.283 -0.387 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.226 -7.723 0.461 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.123 -9.782 -0.149 1.00 0.00 C ATOM 0 H THR A 88 -7.557 -5.811 -0.965 1.00 0.00 H new ATOM 0 HA THR A 88 -6.539 -7.836 0.896 1.00 0.00 H new ATOM 0 HB THR A 88 -8.484 -8.113 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.084 -8.162 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.091 -10.243 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.375 -10.210 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.835 -9.969 0.886 1.00 0.00 H new ATOM 1281 N VAL A 89 -5.091 -9.148 -0.700 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.072 -9.746 -1.555 1.00 0.00 C ATOM 1283 C VAL A 89 -4.554 -11.068 -2.142 1.00 0.00 C ATOM 1284 O VAL A 89 -5.252 -11.835 -1.481 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.762 -9.986 -0.783 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.662 -10.447 -1.727 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.344 -8.727 -0.039 1.00 0.00 C ATOM 0 H VAL A 89 -5.175 -9.580 0.220 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.883 -9.040 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.932 -10.774 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.744 -10.611 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.963 -11.377 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.490 -9.683 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.416 -8.915 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.191 -7.917 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.125 -8.446 0.668 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.174 -11.329 -3.389 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.576 -12.560 -4.045 1.00 0.00 C ATOM 1299 C GLY A 90 -3.391 -13.375 -4.524 1.00 0.00 C ATOM 1300 O GLY A 90 -2.273 -13.234 -4.029 1.00 0.00 O ATOM 0 H GLY A 90 -3.595 -10.710 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.170 -13.159 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.217 -12.323 -4.894 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.632 -14.253 -5.509 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.588 -15.112 -6.076 1.00 0.00 C ATOM 1306 C PRO A 91 -1.569 -14.325 -6.893 1.00 0.00 C ATOM 1307 O PRO A 91 -1.914 -13.347 -7.558 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.369 -16.072 -6.977 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.609 -15.329 -7.338 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.941 -14.474 -6.146 1.00 0.00 C ATOM 0 HA PRO A 91 -2.006 -15.611 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.794 -16.338 -7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.602 -17.002 -6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.453 -14.717 -8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.424 -16.016 -7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.407 -13.534 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.636 -14.976 -5.473 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.314 -14.757 -6.840 1.00 0.00 N ATOM 1319 CA LEU A 92 0.755 -14.092 -7.577 1.00 0.00 C ATOM 1320 C LEU A 92 0.339 -13.827 -9.020 1.00 0.00 C ATOM 1321 O LEU A 92 0.119 -12.682 -9.413 1.00 0.00 O ATOM 1322 CB LEU A 92 2.026 -14.943 -7.548 1.00 0.00 C ATOM 1323 CG LEU A 92 3.115 -14.557 -8.550 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.991 -13.450 -7.985 1.00 0.00 C ATOM 1325 CD2 LEU A 92 3.956 -15.771 -8.917 1.00 0.00 C ATOM 0 H LEU A 92 -0.012 -15.564 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 92 0.955 -13.135 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.449 -14.894 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.748 -15.982 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 92 2.635 -14.186 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.760 -13.188 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.378 -12.574 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.463 -13.794 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.726 -15.478 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.427 -16.172 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.318 -16.534 -9.364 1.00 0.00 H new