USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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: B 81 ASN :FLIP amide:sc= -0.0396 F(o=-0.13,f=1.2) USER MOD Set 1.2: B 83 SER OG : rot -86:sc= 1.23 USER MOD Set 2.1: B 74 THR OG1 : rot 90:sc= 0.248 USER MOD Set 2.2: B 76 ASN : amide:sc= -1.04 K(o=-0.79,f=-4.7!) USER MOD Set 3.1: A 52 GLN : amide:sc= -5.83! C(o=-3.2!,f=-6!) USER MOD Set 3.2: B 56 SER OG : rot 62:sc= 2.63 USER MOD Set 3.3: B 60 LYS NZ :NH3+ -120:sc= 0.0473 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0.487) USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.474) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.151 F(o=-1.1,f=-0.15) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 154:sc= -2.15! (180deg=-3.69!) USER MOD Single : B 20 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.18) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 170:sc=-0.00649 (180deg=-0.241) USER MOD Single : B 42 THR OG1 : rot 140:sc= -1.81! USER MOD Single : B 44 SER OG : rot 11:sc= 0.136 USER MOD Single : B 45 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.17) USER MOD Single : B 46 MET CE :methyl -161:sc= -0.0487 (180deg=-0.584) USER MOD Single : B 47 TYR OH : rot 150:sc= 1.2 USER MOD Single : B 51 LYS NZ :NH3+ 171:sc= -0.0128 (180deg=-0.122) USER MOD Single : B 52 CYS SG : rot -43:sc= -3.67! USER MOD Single : B 53 GLN : amide:sc= -4.34! C(o=-4.3!,f=-9.4!) USER MOD Single : B 54 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0.927) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : B 66 GLN : amide:sc= -5.31! C(o=-5.3!,f=-8.2!) USER MOD Single : B 70 HIS : no HD1:sc= 1.04 K(o=1,f=-4.7!) USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -3.4! X(o=-3.4!,f=-3) USER MOD Single : B 80 SER OG : rot 7:sc= 0.246 USER MOD Single : B 84 THR OG1 : rot -54:sc= -0.745! USER MOD Single : B 87 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0.804) USER MOD Single : B 93 LYS NZ :NH3+ -169:sc= 0.622! (180deg=0.153!) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0524 F(o=-0.63,f=-0.052) USER MOD Single : B 98 GLN : amide:sc= 0.0657 X(o=0.066,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.844 8.390 14.133 1.00 0.00 N ATOM 135 CA ILE A 50 -1.559 7.773 13.070 1.00 0.00 C ATOM 136 C ILE A 50 -2.221 6.464 13.440 1.00 0.00 C ATOM 137 O ILE A 50 -1.573 5.432 13.588 1.00 0.00 O ATOM 138 CB ILE A 50 -0.624 7.573 11.880 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.440 8.861 11.128 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.169 6.553 10.937 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.829 8.872 10.330 1.00 0.00 C ATOM 0 HA ILE A 50 -2.374 8.450 12.814 1.00 0.00 H new ATOM 0 HB ILE A 50 0.333 7.232 12.275 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.288 9.015 10.461 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.432 9.693 11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.484 6.430 10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.282 5.601 11.456 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.140 6.882 10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.919 9.822 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.680 8.745 10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.811 8.057 9.607 1.00 0.00 H new ATOM 153 N GLU A 51 -3.519 6.574 13.612 1.00 0.00 N ATOM 154 CA GLU A 51 -4.409 5.451 13.860 1.00 0.00 C ATOM 155 C GLU A 51 -5.845 5.928 13.684 1.00 0.00 C ATOM 156 O GLU A 51 -6.780 5.458 14.321 1.00 0.00 O ATOM 157 CB GLU A 51 -4.182 4.761 15.206 1.00 0.00 C ATOM 158 CG GLU A 51 -3.248 3.557 15.091 1.00 0.00 C ATOM 159 CD GLU A 51 -3.661 2.591 13.990 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.290 2.818 12.816 1.00 0.00 O ATOM 161 OE2 GLU A 51 -4.360 1.603 14.295 1.00 0.00 O ATOM 0 H GLU A 51 -4.003 7.471 13.583 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.185 4.672 13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.762 5.477 15.913 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.140 4.437 15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.234 3.907 14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.227 3.027 16.043 1.00 0.00 H new ATOM 168 N GLN A 52 -5.969 6.904 12.788 1.00 0.00 N ATOM 169 CA GLN A 52 -7.244 7.481 12.395 1.00 0.00 C ATOM 170 C GLN A 52 -7.549 6.931 11.033 1.00 0.00 C ATOM 171 O GLN A 52 -7.410 7.577 9.993 1.00 0.00 O ATOM 172 CB GLN A 52 -7.196 9.021 12.414 1.00 0.00 C ATOM 173 CG GLN A 52 -6.240 9.659 11.401 1.00 0.00 C ATOM 174 CD GLN A 52 -4.781 9.309 11.626 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.137 9.848 12.520 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.237 8.428 10.795 1.00 0.00 N ATOM 0 H GLN A 52 -5.171 7.320 12.309 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.035 7.216 13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.201 9.402 12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.910 9.347 13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.528 9.346 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.354 10.742 11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.804 8.000 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.252 8.179 10.889 1.00 0.00 H new ATOM 185 N TRP A 53 -7.930 5.691 11.058 1.00 0.00 N ATOM 186 CA TRP A 53 -8.172 4.973 9.857 1.00 0.00 C ATOM 187 C TRP A 53 -9.555 4.401 9.798 1.00 0.00 C ATOM 188 O TRP A 53 -10.321 4.445 10.756 1.00 0.00 O ATOM 189 CB TRP A 53 -7.174 3.827 9.778 1.00 0.00 C ATOM 190 CG TRP A 53 -5.749 4.271 9.743 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.026 4.848 10.733 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.886 4.165 8.639 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.757 5.120 10.294 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.647 4.705 9.000 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.061 3.667 7.381 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.579 4.753 8.109 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.032 3.705 6.506 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.801 4.244 6.862 1.00 0.00 C ATOM 0 H TRP A 53 -8.080 5.154 11.912 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.065 5.668 9.024 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.320 3.171 10.636 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.383 3.236 8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.396 5.062 11.725 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.018 5.559 10.843 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.012 3.247 7.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.624 5.171 8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.169 3.309 5.511 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.002 4.260 6.135 1.00 0.00 H new ATOM 209 N PHE A 54 -9.871 3.932 8.621 1.00 0.00 N ATOM 210 CA PHE A 54 -11.098 3.247 8.370 1.00 0.00 C ATOM 211 C PHE A 54 -10.679 1.843 8.119 1.00 0.00 C ATOM 212 O PHE A 54 -10.288 1.507 6.998 1.00 0.00 O ATOM 213 CB PHE A 54 -11.818 3.804 7.156 1.00 0.00 C ATOM 214 CG PHE A 54 -11.892 5.288 7.161 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.191 5.967 8.325 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.669 6.005 6.007 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.268 7.329 8.340 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.750 7.367 6.006 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.053 8.041 7.178 1.00 0.00 C ATOM 0 H PHE A 54 -9.270 4.019 7.801 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.796 3.349 9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.306 3.473 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.827 3.395 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.366 5.413 9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.427 5.484 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.497 7.848 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.578 7.919 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.121 9.119 7.182 1.00 0.00 H new ATOM 246 N GLU A 56 -11.047 -0.939 6.932 1.00 0.00 N ATOM 247 CA GLU A 56 -11.824 -1.654 5.935 1.00 0.00 C ATOM 248 C GLU A 56 -12.114 -3.091 6.340 1.00 0.00 C ATOM 249 O GLU A 56 -13.269 -3.508 6.408 1.00 0.00 O ATOM 250 CB GLU A 56 -11.037 -1.654 4.641 1.00 0.00 C ATOM 251 CG GLU A 56 -11.032 -0.315 3.925 1.00 0.00 C ATOM 252 CD GLU A 56 -10.471 -0.451 2.536 1.00 0.00 C ATOM 253 OE1 GLU A 56 -9.233 -0.401 2.392 1.00 0.00 O ATOM 254 OE2 GLU A 56 -11.264 -0.640 1.591 1.00 0.00 O ATOM 0 HA GLU A 56 -12.785 -1.151 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.008 -1.946 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.452 -2.410 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.047 0.079 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.440 0.403 4.492 1.00 0.00 H new ATOM 261 N ASP A 57 -11.058 -3.839 6.614 1.00 0.00 N ATOM 262 CA ASP A 57 -11.208 -5.229 7.006 1.00 0.00 C ATOM 263 C ASP A 57 -10.282 -5.595 8.151 1.00 0.00 C ATOM 264 O ASP A 57 -9.107 -5.891 7.937 1.00 0.00 O ATOM 265 CB ASP A 57 -10.950 -6.157 5.819 1.00 0.00 C ATOM 266 CG ASP A 57 -10.927 -7.627 6.222 1.00 0.00 C ATOM 267 OD1 ASP A 57 -11.777 -8.036 7.042 1.00 0.00 O ATOM 268 OD2 ASP A 57 -10.048 -8.371 5.731 1.00 0.00 O ATOM 0 H ASP A 57 -10.094 -3.509 6.572 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.236 -5.356 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.723 -6.002 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.998 -5.895 5.357 1.00 0.00 H new ATOM 415 N GLU B 7 3.912 -9.150 -13.064 1.00 0.00 N ATOM 416 CA GLU B 7 2.631 -8.502 -13.273 1.00 0.00 C ATOM 417 C GLU B 7 2.468 -7.284 -12.369 1.00 0.00 C ATOM 418 O GLU B 7 2.222 -7.409 -11.167 1.00 0.00 O ATOM 419 CB GLU B 7 1.489 -9.490 -13.038 1.00 0.00 C ATOM 420 CG GLU B 7 0.115 -8.911 -13.339 1.00 0.00 C ATOM 421 CD GLU B 7 -0.989 -9.941 -13.220 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.108 -10.790 -14.129 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.737 -9.898 -12.222 1.00 0.00 O ATOM 0 HA GLU B 7 2.597 -8.160 -14.307 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.648 -10.371 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.515 -9.823 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.086 -8.087 -12.654 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.112 -8.496 -14.347 1.00 0.00 H new ATOM 430 N VAL B 8 2.637 -6.109 -12.953 1.00 0.00 N ATOM 431 CA VAL B 8 2.470 -4.868 -12.231 1.00 0.00 C ATOM 432 C VAL B 8 1.016 -4.452 -12.356 1.00 0.00 C ATOM 433 O VAL B 8 0.506 -4.273 -13.461 1.00 0.00 O ATOM 434 CB VAL B 8 3.390 -3.751 -12.768 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.251 -2.491 -11.928 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.838 -4.218 -12.798 1.00 0.00 C ATOM 0 H VAL B 8 2.892 -5.993 -13.934 1.00 0.00 H new ATOM 0 HA VAL B 8 2.747 -5.024 -11.188 1.00 0.00 H new ATOM 0 HB VAL B 8 3.084 -3.517 -13.788 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.908 -1.716 -12.323 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.218 -2.143 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.527 -2.709 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.471 -3.417 -13.179 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.156 -4.483 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.926 -5.090 -13.447 1.00 0.00 H new ATOM 446 N LEU B 9 0.357 -4.299 -11.228 1.00 0.00 N ATOM 447 CA LEU B 9 -1.048 -3.962 -11.212 1.00 0.00 C ATOM 448 C LEU B 9 -1.242 -2.474 -11.041 1.00 0.00 C ATOM 449 O LEU B 9 -2.141 -1.883 -11.634 1.00 0.00 O ATOM 450 CB LEU B 9 -1.750 -4.716 -10.081 1.00 0.00 C ATOM 451 CG LEU B 9 -1.865 -6.228 -10.275 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.530 -6.866 -9.069 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.648 -6.548 -11.537 1.00 0.00 C ATOM 0 H LEU B 9 0.776 -4.404 -10.304 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.485 -4.256 -12.166 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.213 -4.526 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.752 -4.305 -9.960 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.860 -6.638 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.605 -7.943 -9.222 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.935 -6.667 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.528 -6.448 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.719 -7.629 -11.657 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.650 -6.125 -11.461 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.138 -6.120 -12.400 1.00 0.00 H new ATOM 465 N LEU B 10 -0.399 -1.862 -10.228 1.00 0.00 N ATOM 466 CA LEU B 10 -0.515 -0.443 -9.998 1.00 0.00 C ATOM 467 C LEU B 10 0.820 0.196 -9.678 1.00 0.00 C ATOM 468 O LEU B 10 1.679 -0.407 -9.035 1.00 0.00 O ATOM 469 CB LEU B 10 -1.447 -0.183 -8.828 1.00 0.00 C ATOM 470 CG LEU B 10 -2.225 1.135 -8.904 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.294 1.068 -9.984 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.848 1.470 -7.561 1.00 0.00 C ATOM 0 H LEU B 10 0.360 -2.321 -9.725 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.904 -0.006 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.159 -1.005 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.863 -0.191 -7.908 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.523 1.927 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.834 2.014 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.824 0.881 -10.950 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.991 0.261 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.395 2.409 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.533 0.674 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.064 1.568 -6.810 1.00 0.00 H new ATOM 484 N ILE B 11 0.974 1.418 -10.146 1.00 0.00 N ATOM 485 CA ILE B 11 2.155 2.214 -9.873 1.00 0.00 C ATOM 486 C ILE B 11 1.713 3.546 -9.291 1.00 0.00 C ATOM 487 O ILE B 11 1.189 4.413 -9.997 1.00 0.00 O ATOM 488 CB ILE B 11 3.016 2.449 -11.136 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.500 1.108 -11.703 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.198 3.357 -10.814 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.445 1.240 -12.878 1.00 0.00 C ATOM 0 H ILE B 11 0.282 1.889 -10.728 1.00 0.00 H new ATOM 0 HA ILE B 11 2.779 1.668 -9.165 1.00 0.00 H new ATOM 0 HB ILE B 11 2.404 2.943 -11.891 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.998 0.549 -10.911 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.634 0.522 -12.011 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.793 3.512 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.831 4.317 -10.452 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.816 2.892 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.741 0.248 -13.220 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.945 1.770 -13.689 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.330 1.797 -12.572 1.00 0.00 H new ATOM 503 N VAL B 12 1.927 3.695 -8.000 1.00 0.00 N ATOM 504 CA VAL B 12 1.555 4.899 -7.285 1.00 0.00 C ATOM 505 C VAL B 12 2.781 5.773 -7.107 1.00 0.00 C ATOM 506 O VAL B 12 3.886 5.265 -6.942 1.00 0.00 O ATOM 507 CB VAL B 12 0.946 4.565 -5.911 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.065 5.698 -5.428 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.156 3.267 -5.973 1.00 0.00 C ATOM 0 H VAL B 12 2.365 2.983 -7.415 1.00 0.00 H new ATOM 0 HA VAL B 12 0.801 5.430 -7.866 1.00 0.00 H new ATOM 0 HB VAL B 12 1.762 4.436 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.356 5.442 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.659 6.608 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.743 5.860 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.265 3.050 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.650 3.366 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.816 2.453 -6.272 1.00 0.00 H new ATOM 519 N LYS B 13 2.591 7.078 -7.136 1.00 0.00 N ATOM 520 CA LYS B 13 3.715 8.000 -7.024 1.00 0.00 C ATOM 521 C LYS B 13 3.687 8.808 -5.740 1.00 0.00 C ATOM 522 O LYS B 13 2.664 8.894 -5.062 1.00 0.00 O ATOM 523 CB LYS B 13 3.754 8.949 -8.219 1.00 0.00 C ATOM 524 CG LYS B 13 4.220 8.296 -9.515 1.00 0.00 C ATOM 525 CD LYS B 13 3.204 7.302 -10.075 1.00 0.00 C ATOM 526 CE LYS B 13 1.895 7.970 -10.477 1.00 0.00 C ATOM 527 NZ LYS B 13 0.709 7.151 -10.093 1.00 0.00 N ATOM 0 H LYS B 13 1.680 7.525 -7.235 1.00 0.00 H new ATOM 0 HA LYS B 13 4.615 7.385 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.758 9.365 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.416 9.783 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.412 9.070 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.165 7.782 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.633 6.799 -10.942 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.002 6.534 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.828 8.950 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.888 8.135 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.138 7.521 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.863 6.163 -10.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.574 7.197 -9.063 1.00 0.00 H new ATOM 541 N LYS B 14 4.838 9.413 -5.452 1.00 0.00 N ATOM 542 CA LYS B 14 5.059 10.238 -4.270 1.00 0.00 C ATOM 543 C LYS B 14 4.501 9.603 -2.999 1.00 0.00 C ATOM 544 O LYS B 14 3.996 10.294 -2.110 1.00 0.00 O ATOM 545 CB LYS B 14 4.475 11.626 -4.498 1.00 0.00 C ATOM 546 CG LYS B 14 5.452 12.592 -5.158 1.00 0.00 C ATOM 547 CD LYS B 14 5.864 13.724 -4.224 1.00 0.00 C ATOM 548 CE LYS B 14 6.795 13.249 -3.113 1.00 0.00 C ATOM 549 NZ LYS B 14 8.125 12.810 -3.630 1.00 0.00 N ATOM 0 H LYS B 14 5.661 9.340 -6.050 1.00 0.00 H new ATOM 0 HA LYS B 14 6.135 10.322 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.584 11.540 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.156 12.040 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.340 12.046 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.996 13.011 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.359 14.505 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.973 14.170 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.937 14.055 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.326 12.423 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.850 12.966 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.088 11.799 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.366 13.359 -4.480 1.00 0.00 H new ATOM 563 N VAL B 15 4.601 8.284 -2.915 1.00 0.00 N ATOM 564 CA VAL B 15 4.126 7.565 -1.742 1.00 0.00 C ATOM 565 C VAL B 15 5.247 7.458 -0.728 1.00 0.00 C ATOM 566 O VAL B 15 6.279 6.860 -1.004 1.00 0.00 O ATOM 567 CB VAL B 15 3.603 6.152 -2.086 1.00 0.00 C ATOM 568 CG1 VAL B 15 2.941 5.518 -0.873 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.633 6.221 -3.248 1.00 0.00 C ATOM 0 H VAL B 15 5.005 7.693 -3.641 1.00 0.00 H new ATOM 0 HA VAL B 15 3.290 8.129 -1.329 1.00 0.00 H new ATOM 0 HB VAL B 15 4.449 5.529 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.579 4.524 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.666 5.439 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.103 6.136 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.272 5.219 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.790 6.858 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.139 6.636 -4.120 1.00 0.00 H new ATOM 579 N ARG B 16 5.051 8.050 0.436 1.00 0.00 N ATOM 580 CA ARG B 16 6.059 8.029 1.475 1.00 0.00 C ATOM 581 C ARG B 16 5.814 6.907 2.461 1.00 0.00 C ATOM 582 O ARG B 16 4.707 6.723 2.954 1.00 0.00 O ATOM 583 CB ARG B 16 6.103 9.356 2.245 1.00 0.00 C ATOM 584 CG ARG B 16 6.015 10.586 1.367 1.00 0.00 C ATOM 585 CD ARG B 16 6.541 11.830 2.075 1.00 0.00 C ATOM 586 NE ARG B 16 7.988 11.998 1.902 1.00 0.00 N ATOM 587 CZ ARG B 16 8.785 12.685 2.728 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.309 13.242 3.834 1.00 0.00 N ATOM 589 NH2 ARG B 16 10.071 12.816 2.447 1.00 0.00 N ATOM 0 H ARG B 16 4.199 8.553 0.684 1.00 0.00 H new ATOM 0 HA ARG B 16 7.014 7.870 0.974 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.281 9.375 2.961 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.028 9.399 2.820 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.585 10.421 0.453 1.00 0.00 H new ATOM 0 HG3 ARG B 16 4.978 10.748 1.072 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.026 12.710 1.689 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.309 11.766 3.138 1.00 0.00 H new ATOM 0 HE ARG B 16 8.419 11.557 1.090 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.320 13.150 4.066 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.932 13.762 4.452 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.454 12.393 1.601 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.680 13.340 3.076 1.00 0.00 H new ATOM 603 N GLN B 17 6.855 6.161 2.746 1.00 0.00 N ATOM 604 CA GLN B 17 6.772 5.102 3.714 1.00 0.00 C ATOM 605 C GLN B 17 7.526 5.575 4.939 1.00 0.00 C ATOM 606 O GLN B 17 8.757 5.598 4.951 1.00 0.00 O ATOM 607 CB GLN B 17 7.372 3.803 3.165 1.00 0.00 C ATOM 608 CG GLN B 17 6.787 2.543 3.791 1.00 0.00 C ATOM 609 CD GLN B 17 7.267 2.301 5.212 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.537 2.584 5.472 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 6.507 1.854 6.066 1.00 0.00 N flip ATOM 0 H GLN B 17 7.773 6.272 2.316 1.00 0.00 H new ATOM 0 HA GLN B 17 5.733 4.881 3.958 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.215 3.768 2.087 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.449 3.813 3.330 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.699 2.616 3.789 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.050 1.683 3.174 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.537 1.649 5.828 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.846 1.688 7.014 1.00 0.00 H new ATOM 620 N LYS B 18 6.765 5.975 5.949 1.00 0.00 N ATOM 621 CA LYS B 18 7.317 6.491 7.193 1.00 0.00 C ATOM 622 C LYS B 18 8.306 7.633 6.939 1.00 0.00 C ATOM 623 O LYS B 18 9.489 7.536 7.260 1.00 0.00 O ATOM 624 CB LYS B 18 7.949 5.368 8.018 1.00 0.00 C ATOM 625 CG LYS B 18 7.075 4.926 9.186 1.00 0.00 C ATOM 626 CD LYS B 18 5.671 4.539 8.736 1.00 0.00 C ATOM 627 CE LYS B 18 4.616 4.979 9.743 1.00 0.00 C ATOM 628 NZ LYS B 18 4.313 6.434 9.648 1.00 0.00 N ATOM 0 H LYS B 18 5.746 5.950 5.928 1.00 0.00 H new ATOM 0 HA LYS B 18 6.495 6.906 7.776 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.141 4.512 7.371 1.00 0.00 H new ATOM 0 HB3 LYS B 18 8.914 5.703 8.399 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.542 4.078 9.687 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.012 5.732 9.917 1.00 0.00 H new ATOM 0 HD2 LYS B 18 5.461 4.993 7.767 1.00 0.00 H new ATOM 0 HD3 LYS B 18 5.617 3.459 8.601 1.00 0.00 H new ATOM 0 HE2 LYS B 18 3.702 4.409 9.580 1.00 0.00 H new ATOM 0 HE3 LYS B 18 4.961 4.747 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 3.590 6.685 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.178 6.981 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 3.958 6.653 8.695 1.00 0.00 H new ATOM 642 N LYS B 19 7.781 8.697 6.323 1.00 0.00 N ATOM 643 CA LYS B 19 8.531 9.923 6.009 1.00 0.00 C ATOM 644 C LYS B 19 9.518 9.778 4.846 1.00 0.00 C ATOM 645 O LYS B 19 10.287 10.691 4.583 1.00 0.00 O ATOM 646 CB LYS B 19 9.255 10.457 7.243 1.00 0.00 C ATOM 647 CG LYS B 19 9.029 11.942 7.475 1.00 0.00 C ATOM 648 CD LYS B 19 9.514 12.380 8.847 1.00 0.00 C ATOM 649 CE LYS B 19 8.491 12.073 9.925 1.00 0.00 C ATOM 650 NZ LYS B 19 8.347 10.614 10.152 1.00 0.00 N ATOM 0 H LYS B 19 6.807 8.734 6.023 1.00 0.00 H new ATOM 0 HA LYS B 19 7.777 10.640 5.684 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.920 9.904 8.120 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.324 10.271 7.138 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.550 12.513 6.706 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.967 12.168 7.376 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.452 11.876 9.080 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.722 13.450 8.836 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.787 12.558 10.855 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.526 12.493 9.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.017 10.445 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.657 10.224 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.267 10.149 10.013 1.00 0.00 H new ATOM 664 N GLN B 20 9.497 8.662 4.140 1.00 0.00 N ATOM 665 CA GLN B 20 10.397 8.493 2.999 1.00 0.00 C ATOM 666 C GLN B 20 9.573 8.404 1.726 1.00 0.00 C ATOM 667 O GLN B 20 8.814 7.458 1.558 1.00 0.00 O ATOM 668 CB GLN B 20 11.247 7.231 3.166 1.00 0.00 C ATOM 669 CG GLN B 20 12.379 7.388 4.169 1.00 0.00 C ATOM 670 CD GLN B 20 12.686 6.103 4.916 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.844 5.782 5.172 1.00 0.00 O ATOM 672 NE2 GLN B 20 11.650 5.368 5.294 1.00 0.00 N ATOM 0 H GLN B 20 8.882 7.870 4.326 1.00 0.00 H new ATOM 0 HA GLN B 20 11.069 9.349 2.942 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.604 6.409 3.482 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.666 6.954 2.198 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.276 7.723 3.648 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.117 8.166 4.886 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.702 5.666 5.064 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.801 4.504 5.815 1.00 0.00 H new ATOM 681 N ASP B 21 9.737 9.357 0.816 1.00 0.00 N ATOM 682 CA ASP B 21 8.951 9.366 -0.415 1.00 0.00 C ATOM 683 C ASP B 21 9.530 8.461 -1.482 1.00 0.00 C ATOM 684 O ASP B 21 10.745 8.336 -1.645 1.00 0.00 O ATOM 685 CB ASP B 21 8.738 10.783 -0.983 1.00 0.00 C ATOM 686 CG ASP B 21 9.945 11.697 -0.903 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.656 11.669 0.123 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.136 12.490 -1.847 1.00 0.00 O ATOM 0 H ASP B 21 10.400 10.127 0.904 1.00 0.00 H new ATOM 0 HA ASP B 21 7.976 8.973 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.435 10.697 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.911 11.251 -0.449 1.00 0.00 H new ATOM 693 N GLY B 22 8.623 7.808 -2.182 1.00 0.00 N ATOM 694 CA GLY B 22 8.981 6.910 -3.240 1.00 0.00 C ATOM 695 C GLY B 22 7.804 6.590 -4.124 1.00 0.00 C ATOM 696 O GLY B 22 7.081 7.482 -4.569 1.00 0.00 O ATOM 0 H GLY B 22 7.618 7.892 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.776 7.353 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.378 5.988 -2.815 1.00 0.00 H new ATOM 700 N ALA B 23 7.579 5.314 -4.343 1.00 0.00 N ATOM 701 CA ALA B 23 6.502 4.872 -5.188 1.00 0.00 C ATOM 702 C ALA B 23 5.949 3.555 -4.684 1.00 0.00 C ATOM 703 O ALA B 23 6.702 2.677 -4.255 1.00 0.00 O ATOM 704 CB ALA B 23 6.996 4.743 -6.612 1.00 0.00 C ATOM 0 H ALA B 23 8.136 4.560 -3.941 1.00 0.00 H new ATOM 0 HA ALA B 23 5.697 5.606 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.179 4.408 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.357 5.711 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.808 4.017 -6.651 1.00 0.00 H new ATOM 710 N LEU B 24 4.640 3.418 -4.749 1.00 0.00 N ATOM 711 CA LEU B 24 3.978 2.218 -4.277 1.00 0.00 C ATOM 712 C LEU B 24 3.626 1.354 -5.484 1.00 0.00 C ATOM 713 O LEU B 24 2.973 1.814 -6.417 1.00 0.00 O ATOM 714 CB LEU B 24 2.718 2.610 -3.496 1.00 0.00 C ATOM 715 CG LEU B 24 2.306 1.690 -2.340 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.898 2.026 -1.881 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.403 0.226 -2.720 1.00 0.00 C ATOM 0 H LEU B 24 4.011 4.127 -5.126 1.00 0.00 H new ATOM 0 HA LEU B 24 4.630 1.652 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.865 3.613 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.887 2.666 -4.199 1.00 0.00 H new ATOM 0 HG LEU B 24 3.002 1.860 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.616 1.367 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.863 3.062 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.203 1.891 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.102 -0.390 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.746 0.025 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.431 -0.011 -2.995 1.00 0.00 H new ATOM 729 N TYR B 25 4.075 0.118 -5.471 1.00 0.00 N ATOM 730 CA TYR B 25 3.824 -0.793 -6.582 1.00 0.00 C ATOM 731 C TYR B 25 2.941 -1.967 -6.169 1.00 0.00 C ATOM 732 O TYR B 25 3.188 -2.620 -5.155 1.00 0.00 O ATOM 733 CB TYR B 25 5.146 -1.331 -7.140 1.00 0.00 C ATOM 734 CG TYR B 25 6.058 -0.273 -7.719 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.985 0.387 -6.922 1.00 0.00 C ATOM 736 CD2 TYR B 25 5.998 0.058 -9.065 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.826 1.348 -7.452 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.834 1.018 -9.602 1.00 0.00 C ATOM 739 CZ TYR B 25 7.745 1.660 -8.793 1.00 0.00 C ATOM 740 OH TYR B 25 8.580 2.614 -9.327 1.00 0.00 O ATOM 0 H TYR B 25 4.616 -0.285 -4.706 1.00 0.00 H new ATOM 0 HA TYR B 25 3.300 -0.223 -7.350 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.676 -1.854 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.927 -2.067 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.050 0.145 -5.871 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.286 -0.443 -9.704 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.542 1.851 -6.820 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.773 1.264 -10.652 1.00 0.00 H new ATOM 0 HH TYR B 25 8.394 2.713 -10.284 1.00 0.00 H new ATOM 750 N LEU B 26 1.907 -2.225 -6.959 1.00 0.00 N ATOM 751 CA LEU B 26 1.004 -3.342 -6.708 1.00 0.00 C ATOM 752 C LEU B 26 1.327 -4.470 -7.670 1.00 0.00 C ATOM 753 O LEU B 26 1.503 -4.225 -8.864 1.00 0.00 O ATOM 754 CB LEU B 26 -0.461 -2.935 -6.895 1.00 0.00 C ATOM 755 CG LEU B 26 -0.996 -1.902 -5.908 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.513 -1.872 -5.943 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.511 -2.203 -4.511 1.00 0.00 C ATOM 0 H LEU B 26 1.671 -1.673 -7.784 1.00 0.00 H new ATOM 0 HA LEU B 26 1.142 -3.663 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.583 -2.542 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.079 -3.830 -6.825 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.621 -0.921 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.879 -1.130 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.849 -1.611 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.903 -2.854 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.903 -1.456 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.858 -3.192 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.579 -2.179 -4.491 1.00 0.00 H new ATOM 769 N MET B 27 1.408 -5.690 -7.158 1.00 0.00 N ATOM 770 CA MET B 27 1.714 -6.850 -7.987 1.00 0.00 C ATOM 771 C MET B 27 0.646 -7.923 -7.817 1.00 0.00 C ATOM 772 O MET B 27 -0.123 -7.886 -6.854 1.00 0.00 O ATOM 773 CB MET B 27 3.091 -7.412 -7.637 1.00 0.00 C ATOM 774 CG MET B 27 4.222 -6.422 -7.862 1.00 0.00 C ATOM 775 SD MET B 27 5.674 -6.772 -6.850 1.00 0.00 S ATOM 776 CE MET B 27 6.744 -5.428 -7.344 1.00 0.00 C ATOM 0 H MET B 27 1.266 -5.904 -6.171 1.00 0.00 H new ATOM 0 HA MET B 27 1.725 -6.533 -9.030 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.093 -7.724 -6.592 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.274 -8.304 -8.236 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.507 -6.436 -8.914 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.866 -5.416 -7.642 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.612 -5.393 -6.685 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.074 -5.584 -8.371 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.199 -4.486 -7.278 1.00 0.00 H new ATOM 786 N ALA B 28 0.658 -8.899 -8.721 1.00 0.00 N ATOM 787 CA ALA B 28 -0.335 -9.980 -8.756 1.00 0.00 C ATOM 788 C ALA B 28 -0.652 -10.584 -7.388 1.00 0.00 C ATOM 789 O ALA B 28 -1.819 -10.652 -6.997 1.00 0.00 O ATOM 790 CB ALA B 28 0.143 -11.077 -9.689 1.00 0.00 C ATOM 0 H ALA B 28 1.361 -8.966 -9.457 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.260 -9.529 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.594 -11.879 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.273 -10.671 -10.692 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.095 -11.470 -9.331 1.00 0.00 H new ATOM 796 N GLU B 29 0.360 -11.008 -6.649 1.00 0.00 N ATOM 797 CA GLU B 29 0.109 -11.606 -5.345 1.00 0.00 C ATOM 798 C GLU B 29 0.886 -10.907 -4.239 1.00 0.00 C ATOM 799 O GLU B 29 0.985 -11.429 -3.125 1.00 0.00 O ATOM 800 CB GLU B 29 0.449 -13.104 -5.337 1.00 0.00 C ATOM 801 CG GLU B 29 0.546 -13.742 -6.715 1.00 0.00 C ATOM 802 CD GLU B 29 1.973 -13.804 -7.212 1.00 0.00 C ATOM 803 OE1 GLU B 29 2.837 -14.323 -6.477 1.00 0.00 O ATOM 804 OE2 GLU B 29 2.246 -13.300 -8.318 1.00 0.00 O ATOM 0 H GLU B 29 1.342 -10.952 -6.920 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.957 -11.482 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.398 -13.244 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.310 -13.632 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.131 -14.749 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.059 -13.174 -7.421 1.00 0.00 H new ATOM 811 N ARG B 30 1.403 -9.715 -4.506 1.00 0.00 N ATOM 812 CA ARG B 30 2.170 -9.018 -3.479 1.00 0.00 C ATOM 813 C ARG B 30 2.223 -7.519 -3.714 1.00 0.00 C ATOM 814 O ARG B 30 1.973 -7.036 -4.812 1.00 0.00 O ATOM 815 CB ARG B 30 3.598 -9.581 -3.392 1.00 0.00 C ATOM 816 CG ARG B 30 4.608 -8.883 -4.292 1.00 0.00 C ATOM 817 CD ARG B 30 5.561 -9.870 -4.944 1.00 0.00 C ATOM 818 NE ARG B 30 5.144 -10.202 -6.305 1.00 0.00 N ATOM 819 CZ ARG B 30 4.500 -11.318 -6.638 1.00 0.00 C ATOM 820 NH1 ARG B 30 4.249 -12.251 -5.725 1.00 0.00 N ATOM 821 NH2 ARG B 30 4.112 -11.501 -7.891 1.00 0.00 N ATOM 0 H ARG B 30 1.311 -9.222 -5.394 1.00 0.00 H new ATOM 0 HA ARG B 30 1.654 -9.187 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.941 -9.510 -2.360 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.574 -10.640 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.080 -8.323 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.177 -8.160 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.566 -9.448 -4.964 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.609 -10.780 -4.345 1.00 0.00 H new ATOM 0 HE ARG B 30 5.360 -9.536 -7.047 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.551 -12.115 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.755 -13.103 -5.989 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.307 -10.789 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.618 -12.354 -8.152 1.00 0.00 H new ATOM 835 N ILE B 31 2.536 -6.797 -2.657 1.00 0.00 N ATOM 836 CA ILE B 31 2.666 -5.357 -2.711 1.00 0.00 C ATOM 837 C ILE B 31 4.137 -5.004 -2.520 1.00 0.00 C ATOM 838 O ILE B 31 4.870 -5.747 -1.860 1.00 0.00 O ATOM 839 CB ILE B 31 1.791 -4.674 -1.631 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.790 -3.155 -1.806 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.263 -5.046 -0.231 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.738 -2.454 -0.972 1.00 0.00 C ATOM 0 H ILE B 31 2.708 -7.195 -1.734 1.00 0.00 H new ATOM 0 HA ILE B 31 2.318 -4.994 -3.678 1.00 0.00 H new ATOM 0 HB ILE B 31 0.770 -5.034 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.773 -2.765 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.627 -2.918 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.632 -4.553 0.509 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.199 -6.126 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.296 -4.725 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.793 -1.379 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.251 -2.816 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.913 -2.661 0.084 1.00 0.00 H new ATOM 854 N ALA B 32 4.586 -3.916 -3.117 1.00 0.00 N ATOM 855 CA ALA B 32 5.976 -3.515 -2.987 1.00 0.00 C ATOM 856 C ALA B 32 6.116 -2.005 -2.966 1.00 0.00 C ATOM 857 O ALA B 32 5.232 -1.281 -3.418 1.00 0.00 O ATOM 858 CB ALA B 32 6.806 -4.104 -4.116 1.00 0.00 C ATOM 0 H ALA B 32 4.014 -3.298 -3.693 1.00 0.00 H new ATOM 0 HA ALA B 32 6.346 -3.900 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.845 -3.794 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.746 -5.192 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.423 -3.749 -5.073 1.00 0.00 H new ATOM 864 N TRP B 33 7.231 -1.536 -2.438 1.00 0.00 N ATOM 865 CA TRP B 33 7.491 -0.115 -2.357 1.00 0.00 C ATOM 866 C TRP B 33 8.981 0.175 -2.566 1.00 0.00 C ATOM 867 O TRP B 33 9.844 -0.610 -2.154 1.00 0.00 O ATOM 868 CB TRP B 33 7.010 0.435 -1.011 1.00 0.00 C ATOM 869 CG TRP B 33 7.073 1.921 -0.957 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.099 2.800 -1.328 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.183 2.705 -0.532 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.550 4.084 -1.178 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.825 4.048 -0.689 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.449 2.395 -0.039 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.686 5.084 -0.378 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.305 3.426 0.275 1.00 0.00 C ATOM 877 CH2 TRP B 33 9.923 4.759 0.102 1.00 0.00 C ATOM 0 H TRP B 33 7.973 -2.123 -2.058 1.00 0.00 H new ATOM 0 HA TRP B 33 6.938 0.387 -3.151 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.985 0.110 -0.833 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.621 0.018 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.118 2.525 -1.687 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.021 4.929 -1.396 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.752 1.367 0.094 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.391 6.114 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.288 3.201 0.661 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.618 5.547 0.352 1.00 0.00 H new ATOM 888 N ALA B 34 9.266 1.304 -3.211 1.00 0.00 N ATOM 889 CA ALA B 34 10.629 1.729 -3.507 1.00 0.00 C ATOM 890 C ALA B 34 10.732 3.251 -3.439 1.00 0.00 C ATOM 891 O ALA B 34 9.863 3.941 -3.962 1.00 0.00 O ATOM 892 CB ALA B 34 11.053 1.231 -4.881 1.00 0.00 C ATOM 0 H ALA B 34 8.553 1.952 -3.544 1.00 0.00 H new ATOM 0 HA ALA B 34 11.298 1.299 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.073 1.556 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.008 0.142 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.382 1.637 -5.638 1.00 0.00 H new ATOM 898 N PRO B 35 11.769 3.799 -2.777 1.00 0.00 N ATOM 899 CA PRO B 35 11.941 5.252 -2.662 1.00 0.00 C ATOM 900 C PRO B 35 12.189 5.916 -4.016 1.00 0.00 C ATOM 901 O PRO B 35 12.674 5.275 -4.956 1.00 0.00 O ATOM 902 CB PRO B 35 13.165 5.428 -1.759 1.00 0.00 C ATOM 903 CG PRO B 35 13.464 4.078 -1.190 1.00 0.00 C ATOM 904 CD PRO B 35 12.852 3.061 -2.114 1.00 0.00 C ATOM 0 HA PRO B 35 11.042 5.721 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.015 5.808 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO B 35 12.963 6.148 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.540 3.925 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.051 3.983 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.579 2.685 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.472 2.199 -1.565 1.00 0.00 H new ATOM 992 N PHE B 41 13.202 -2.421 -5.582 1.00 0.00 N ATOM 993 CA PHE B 41 12.245 -2.322 -4.489 1.00 0.00 C ATOM 994 C PHE B 41 12.941 -2.525 -3.152 1.00 0.00 C ATOM 995 O PHE B 41 13.939 -3.240 -3.065 1.00 0.00 O ATOM 996 CB PHE B 41 11.131 -3.357 -4.665 1.00 0.00 C ATOM 997 CG PHE B 41 10.560 -3.391 -6.056 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.695 -2.398 -6.489 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.894 -4.412 -6.930 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.175 -2.424 -7.769 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.375 -4.444 -8.211 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.515 -3.448 -8.631 1.00 0.00 C ATOM 0 HA PHE B 41 11.805 -1.325 -4.504 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.520 -4.344 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.331 -3.142 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.425 -1.595 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.568 -5.192 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.503 -1.644 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.642 -5.247 -8.882 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.109 -3.470 -9.632 1.00 0.00 H new ATOM 1012 N THR B 42 12.418 -1.888 -2.116 1.00 0.00 N ATOM 1013 CA THR B 42 12.998 -1.998 -0.789 1.00 0.00 C ATOM 1014 C THR B 42 12.064 -2.725 0.171 1.00 0.00 C ATOM 1015 O THR B 42 12.501 -3.310 1.159 1.00 0.00 O ATOM 1016 CB THR B 42 13.316 -0.605 -0.218 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.298 0.328 -0.613 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.668 -0.116 -0.707 1.00 0.00 C ATOM 0 H THR B 42 11.593 -1.290 -2.170 1.00 0.00 H new ATOM 0 HA THR B 42 13.918 -2.574 -0.889 1.00 0.00 H new ATOM 0 HB THR B 42 13.344 -0.679 0.869 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.092 0.924 0.137 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.871 0.871 -0.290 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.444 -0.812 -0.387 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.661 -0.056 -1.795 1.00 0.00 H new ATOM 1026 N ILE B 43 10.777 -2.689 -0.131 1.00 0.00 N ATOM 1027 CA ILE B 43 9.776 -3.317 0.716 1.00 0.00 C ATOM 1028 C ILE B 43 8.790 -4.125 -0.124 1.00 0.00 C ATOM 1029 O ILE B 43 8.357 -3.668 -1.179 1.00 0.00 O ATOM 1030 CB ILE B 43 9.023 -2.241 1.538 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.906 -1.729 2.681 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.705 -2.776 2.083 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.348 -0.510 3.385 1.00 0.00 C ATOM 0 H ILE B 43 10.399 -2.230 -0.960 1.00 0.00 H new ATOM 0 HA ILE B 43 10.281 -3.997 1.402 1.00 0.00 H new ATOM 0 HB ILE B 43 8.793 -1.411 0.870 1.00 0.00 H new ATOM 0 HG12 ILE B 43 10.040 -2.528 3.410 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.893 -1.489 2.286 1.00 0.00 H new ATOM 0 HG21 ILE B 43 7.204 -1.995 2.654 1.00 0.00 H new ATOM 0 HG22 ILE B 43 7.068 -3.086 1.255 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.899 -3.631 2.731 1.00 0.00 H new ATOM 0 HD11 ILE B 43 10.028 -0.207 4.181 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.240 0.305 2.670 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.374 -0.750 3.812 1.00 0.00 H new ATOM 1045 N SER B 44 8.473 -5.334 0.326 1.00 0.00 N ATOM 1046 CA SER B 44 7.531 -6.195 -0.366 1.00 0.00 C ATOM 1047 C SER B 44 6.769 -7.041 0.653 1.00 0.00 C ATOM 1048 O SER B 44 7.352 -7.504 1.633 1.00 0.00 O ATOM 1049 CB SER B 44 8.272 -7.092 -1.357 1.00 0.00 C ATOM 1050 OG SER B 44 7.400 -7.576 -2.368 1.00 0.00 O ATOM 0 H SER B 44 8.862 -5.740 1.177 1.00 0.00 H new ATOM 0 HA SER B 44 6.820 -5.582 -0.920 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.089 -6.534 -1.815 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.719 -7.933 -0.826 1.00 0.00 H new ATOM 0 HG SER B 44 6.545 -7.099 -2.319 1.00 0.00 H new ATOM 1056 N HIS B 45 5.473 -7.231 0.426 1.00 0.00 N ATOM 1057 CA HIS B 45 4.635 -8.008 1.320 1.00 0.00 C ATOM 1058 C HIS B 45 3.636 -8.779 0.491 1.00 0.00 C ATOM 1059 O HIS B 45 2.937 -8.204 -0.344 1.00 0.00 O ATOM 1060 CB HIS B 45 3.877 -7.113 2.319 1.00 0.00 C ATOM 1061 CG HIS B 45 4.746 -6.265 3.200 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.601 -6.767 4.156 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.875 -4.913 3.256 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.210 -5.732 4.749 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.806 -4.585 4.238 1.00 0.00 N ATOM 0 H HIS B 45 4.980 -6.850 -0.381 1.00 0.00 H new ATOM 0 HA HIS B 45 5.274 -8.680 1.893 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.205 -6.461 1.761 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.254 -7.747 2.951 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.341 -4.206 2.638 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.937 -5.824 5.542 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.113 -3.650 4.507 1.00 0.00 H new ATOM 1073 N MET B 46 3.586 -10.073 0.689 1.00 0.00 N ATOM 1074 CA MET B 46 2.653 -10.899 -0.036 1.00 0.00 C ATOM 1075 C MET B 46 1.275 -10.693 0.566 1.00 0.00 C ATOM 1076 O MET B 46 1.150 -10.502 1.773 1.00 0.00 O ATOM 1077 CB MET B 46 3.067 -12.365 0.051 1.00 0.00 C ATOM 1078 CG MET B 46 4.317 -12.708 -0.747 1.00 0.00 C ATOM 1079 SD MET B 46 4.019 -12.809 -2.525 1.00 0.00 S ATOM 1080 CE MET B 46 3.044 -14.310 -2.622 1.00 0.00 C ATOM 0 H MET B 46 4.181 -10.577 1.347 1.00 0.00 H new ATOM 0 HA MET B 46 2.641 -10.621 -1.090 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.235 -12.622 1.097 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.243 -12.985 -0.301 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.081 -11.955 -0.555 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.714 -13.661 -0.397 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.065 -14.692 -3.643 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.459 -15.058 -1.946 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.014 -14.094 -2.337 1.00 0.00 H new ATOM 1090 N TYR B 47 0.248 -10.692 -0.266 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.123 -10.501 0.215 1.00 0.00 C ATOM 1092 C TYR B 47 -1.525 -11.552 1.257 1.00 0.00 C ATOM 1093 O TYR B 47 -2.521 -11.386 1.957 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.108 -10.513 -0.954 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.859 -9.418 -1.965 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.413 -8.163 -1.570 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.061 -9.645 -3.317 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.177 -7.168 -2.495 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.825 -8.654 -4.248 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.383 -7.418 -3.832 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.144 -6.431 -4.760 1.00 0.00 O ATOM 0 H TYR B 47 0.329 -10.820 -1.275 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.157 -9.527 0.704 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.052 -11.479 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.122 -10.414 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.248 -7.963 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.409 -10.613 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.832 -6.197 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.986 -8.847 -5.298 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.867 -6.839 -5.607 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.755 -12.626 1.356 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.031 -13.680 2.324 1.00 0.00 C ATOM 1113 C ALA B 48 -0.341 -13.408 3.653 1.00 0.00 C ATOM 1114 O ALA B 48 -0.551 -14.139 4.615 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.609 -15.034 1.793 1.00 0.00 C ATOM 0 H ALA B 48 0.068 -12.791 0.777 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.108 -13.689 2.490 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.827 -15.801 2.537 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.156 -15.252 0.876 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.461 -15.025 1.584 1.00 0.00 H new ATOM 1121 N ASP B 49 0.502 -12.379 3.687 1.00 0.00 N ATOM 1122 CA ASP B 49 1.211 -11.998 4.910 1.00 0.00 C ATOM 1123 C ASP B 49 0.455 -10.861 5.573 1.00 0.00 C ATOM 1124 O ASP B 49 0.805 -10.401 6.664 1.00 0.00 O ATOM 1125 CB ASP B 49 2.650 -11.524 4.627 1.00 0.00 C ATOM 1126 CG ASP B 49 3.376 -12.310 3.547 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.151 -13.531 3.425 1.00 0.00 O ATOM 1128 OD2 ASP B 49 4.189 -11.691 2.818 1.00 0.00 O ATOM 0 H ASP B 49 0.713 -11.791 2.880 1.00 0.00 H new ATOM 0 HA ASP B 49 1.265 -12.877 5.552 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.622 -10.474 4.336 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.226 -11.584 5.550 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.594 -10.421 4.900 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.407 -9.319 5.371 1.00 0.00 C ATOM 1135 C ILE B 50 -2.538 -9.801 6.271 1.00 0.00 C ATOM 1136 O ILE B 50 -3.266 -10.735 5.940 1.00 0.00 O ATOM 1137 CB ILE B 50 -2.022 -8.536 4.198 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -1.025 -8.389 3.037 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.504 -7.173 4.666 1.00 0.00 C ATOM 1140 CD1 ILE B 50 0.205 -7.572 3.366 1.00 0.00 C ATOM 0 H ILE B 50 -0.904 -10.819 4.013 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.743 -8.669 5.940 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.877 -9.102 3.829 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.711 -9.382 2.717 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.536 -7.928 2.192 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.936 -6.631 3.825 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.259 -7.301 5.442 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.663 -6.608 5.068 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.852 -7.520 2.491 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.094 -6.565 3.656 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.744 -8.041 4.189 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.673 -9.137 7.403 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.700 -9.439 8.383 1.00 0.00 C ATOM 1154 C LYS B 51 -4.947 -8.590 8.115 1.00 0.00 C ATOM 1155 O LYS B 51 -6.021 -9.120 7.848 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.134 -9.152 9.779 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.048 -9.485 10.945 1.00 0.00 C ATOM 1158 CD LYS B 51 -3.292 -9.355 12.261 1.00 0.00 C ATOM 1159 CE LYS B 51 -4.186 -9.593 13.471 1.00 0.00 C ATOM 1160 NZ LYS B 51 -4.853 -10.920 13.426 1.00 0.00 N ATOM 0 H LYS B 51 -2.065 -8.363 7.672 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.990 -10.488 8.317 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.207 -9.713 9.897 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.876 -8.095 9.835 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.909 -8.816 10.944 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.432 -10.499 10.837 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.468 -10.069 12.276 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.853 -8.360 12.328 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.590 -9.519 14.381 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.943 -8.810 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.327 -11.101 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.557 -10.929 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.143 -11.660 13.252 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.779 -7.269 8.133 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.904 -6.347 7.917 1.00 0.00 C ATOM 1176 C CYS B 52 -5.502 -5.175 7.021 1.00 0.00 C ATOM 1177 O CYS B 52 -4.321 -4.985 6.737 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.400 -5.793 9.258 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.285 -6.947 10.643 1.00 0.00 S ATOM 0 H CYS B 52 -3.882 -6.810 8.294 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.697 -6.911 7.427 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.826 -4.898 9.500 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.439 -5.484 9.146 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.683 -8.124 10.261 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.483 -4.378 6.587 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.208 -3.220 5.745 1.00 0.00 C ATOM 1187 C GLN B 53 -6.987 -2.010 6.242 1.00 0.00 C ATOM 1188 O GLN B 53 -8.196 -2.090 6.468 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.559 -3.508 4.279 1.00 0.00 C ATOM 1190 CG GLN B 53 -8.007 -3.915 4.051 1.00 0.00 C ATOM 1191 CD GLN B 53 -8.338 -4.086 2.581 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -8.291 -5.190 2.044 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.668 -2.994 1.914 1.00 0.00 N ATOM 0 H GLN B 53 -7.470 -4.516 6.806 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.141 -3.005 5.804 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.346 -2.619 3.685 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.908 -4.301 3.911 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.205 -4.850 4.576 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.665 -3.161 4.483 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.697 -2.093 2.392 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.894 -3.052 0.921 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.286 -0.911 6.469 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.929 0.312 6.901 1.00 0.00 C ATOM 1204 C LYS B 54 -6.666 1.402 5.888 1.00 0.00 C ATOM 1205 O LYS B 54 -5.741 1.297 5.080 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.394 0.851 8.221 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.851 -0.132 9.227 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.598 0.622 10.524 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.849 -0.219 11.753 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.345 0.601 12.890 1.00 0.00 N ATOM 0 H LYS B 54 -5.274 -0.844 6.361 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.984 0.061 7.012 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.602 1.564 7.992 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.197 1.410 8.702 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.560 -0.944 9.389 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.929 -0.583 8.861 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.567 0.976 10.537 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.238 1.503 10.556 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.577 -0.996 11.520 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.927 -0.723 12.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.743 -0.023 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.558 1.148 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.082 1.253 12.553 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.438 2.473 5.972 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.238 3.614 5.070 1.00 0.00 C ATOM 1226 C ILE B 55 -7.459 4.965 5.770 1.00 0.00 C ATOM 1227 O ILE B 55 -8.541 5.239 6.283 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.126 3.533 3.808 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.598 3.360 4.163 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.676 2.395 2.917 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.458 3.080 2.952 1.00 0.00 C ATOM 0 H ILE B 55 -8.199 2.584 6.642 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.194 3.554 4.761 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.017 4.476 3.273 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.703 2.542 4.876 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.957 4.262 4.659 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.312 2.352 2.033 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.642 2.558 2.613 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -7.750 1.454 3.463 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.497 2.965 3.262 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.378 3.910 2.250 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.120 2.163 2.470 1.00 0.00 H new ATOM 1243 N SER B 56 -6.409 5.799 5.815 1.00 0.00 N ATOM 1244 CA SER B 56 -6.515 7.127 6.424 1.00 0.00 C ATOM 1245 C SER B 56 -7.110 8.118 5.436 1.00 0.00 C ATOM 1246 O SER B 56 -6.647 8.220 4.292 1.00 0.00 O ATOM 1247 CB SER B 56 -5.160 7.639 6.907 1.00 0.00 C ATOM 1248 OG SER B 56 -4.923 7.260 8.250 1.00 0.00 O ATOM 0 H SER B 56 -5.487 5.577 5.440 1.00 0.00 H new ATOM 0 HA SER B 56 -7.171 7.034 7.289 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.370 7.244 6.269 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.126 8.725 6.821 1.00 0.00 H new ATOM 0 HG SER B 56 -4.909 6.282 8.316 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.120 8.875 5.898 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.859 9.854 5.084 1.00 0.00 C ATOM 1256 C PRO B 57 -8.049 11.090 4.698 1.00 0.00 C ATOM 1257 O PRO B 57 -6.926 11.290 5.168 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.989 10.294 6.012 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.441 10.099 7.381 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.603 8.858 7.294 1.00 0.00 C ATOM 0 HA PRO B 57 -9.163 9.404 4.139 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.263 11.335 5.838 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.887 9.697 5.855 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.844 10.956 7.693 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.241 9.984 8.113 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.778 8.878 8.006 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.186 7.962 7.508 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.637 11.917 3.837 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.016 13.166 3.424 1.00 0.00 C ATOM 1270 C GLU B 58 -8.338 14.214 4.484 1.00 0.00 C ATOM 1271 O GLU B 58 -9.321 14.077 5.213 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.532 13.611 2.047 1.00 0.00 C ATOM 1273 CG GLU B 58 -7.492 14.350 1.209 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.740 14.230 -0.287 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -8.771 14.741 -0.768 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -6.897 13.629 -1.000 1.00 0.00 O ATOM 0 H GLU B 58 -9.547 11.740 3.412 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.938 13.035 3.332 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.872 12.734 1.496 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.399 14.257 2.186 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.491 15.404 1.488 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.502 13.958 1.440 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.517 15.239 4.583 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.735 16.264 5.584 1.00 0.00 C ATOM 1285 C GLY B 59 -6.521 16.399 6.465 1.00 0.00 C ATOM 1286 O GLY B 59 -6.066 17.504 6.755 1.00 0.00 O ATOM 0 H GLY B 59 -6.700 15.385 3.989 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -7.949 17.216 5.099 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.606 16.012 6.189 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.998 15.257 6.897 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.793 15.233 7.705 1.00 0.00 C ATOM 1292 C LYS B 60 -3.616 15.585 6.817 1.00 0.00 C ATOM 1293 O LYS B 60 -3.711 15.485 5.594 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.552 13.840 8.314 1.00 0.00 C ATOM 1295 CG LYS B 60 -5.177 13.624 9.684 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.133 13.691 10.801 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.286 12.419 10.893 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.431 12.415 12.114 1.00 0.00 N ATOM 0 H LYS B 60 -6.393 14.337 6.699 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.905 15.949 8.520 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.943 13.087 7.629 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.477 13.674 8.390 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.944 14.379 9.857 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.674 12.654 9.708 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.479 14.547 10.631 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.636 13.858 11.754 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.939 11.546 10.903 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.656 12.336 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.430 12.359 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.592 13.289 12.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.673 11.594 12.705 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.506 15.971 7.418 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.312 16.291 6.652 1.00 0.00 C ATOM 1314 C ALA B 61 -0.629 14.999 6.215 1.00 0.00 C ATOM 1315 O ALA B 61 0.539 14.992 5.833 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.364 17.149 7.479 1.00 0.00 C ATOM 0 H ALA B 61 -2.404 16.071 8.428 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.594 16.860 5.766 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.524 17.380 6.891 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.864 18.076 7.760 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -0.073 16.606 8.379 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.388 13.906 6.283 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.903 12.589 5.927 1.00 0.00 C ATOM 1324 C LYS B 62 -2.033 11.693 5.438 1.00 0.00 C ATOM 1325 O LYS B 62 -2.757 11.100 6.244 1.00 0.00 O ATOM 1326 CB LYS B 62 -0.269 11.910 7.132 1.00 0.00 C ATOM 1327 CG LYS B 62 1.101 12.420 7.508 1.00 0.00 C ATOM 1328 CD LYS B 62 1.672 11.561 8.605 1.00 0.00 C ATOM 1329 CE LYS B 62 2.951 12.129 9.173 1.00 0.00 C ATOM 1330 NZ LYS B 62 3.303 11.489 10.469 1.00 0.00 N ATOM 0 H LYS B 62 -2.361 13.918 6.589 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.170 12.728 5.132 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -0.932 12.031 7.988 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -0.199 10.841 6.932 1.00 0.00 H new ATOM 0 HG2 LYS B 62 1.758 12.403 6.639 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.037 13.457 7.839 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.937 11.459 9.403 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.862 10.560 8.217 1.00 0.00 H new ATOM 0 HE2 LYS B 62 3.763 11.982 8.461 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.842 13.204 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 4.186 11.902 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.538 11.650 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.431 10.467 10.328 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.191 11.605 4.135 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.197 10.729 3.550 1.00 0.00 C ATOM 1346 C ILE B 63 -2.570 9.350 3.493 1.00 0.00 C ATOM 1347 O ILE B 63 -1.448 9.226 3.006 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.609 11.176 2.134 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.361 12.511 2.183 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.459 10.106 1.466 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.472 13.723 1.992 1.00 0.00 C ATOM 0 H ILE B 63 -1.638 12.128 3.456 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.105 10.749 4.152 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.705 11.318 1.542 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.131 12.512 1.411 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.871 12.594 3.142 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -4.742 10.437 0.467 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -3.888 9.180 1.393 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.357 9.933 2.058 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.077 14.629 2.039 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.718 13.749 2.779 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.981 13.665 1.020 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.242 8.303 3.963 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.558 7.015 3.983 1.00 0.00 C ATOM 1365 C GLN B 64 -3.416 5.794 3.693 1.00 0.00 C ATOM 1366 O GLN B 64 -4.645 5.819 3.735 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.887 6.790 5.339 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.893 7.848 5.760 1.00 0.00 C ATOM 1369 CD GLN B 64 -0.842 7.995 7.259 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.135 7.257 7.939 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.597 8.948 7.785 1.00 0.00 N ATOM 0 H GLN B 64 -4.199 8.313 4.315 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.844 7.096 3.164 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.663 6.722 6.101 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.377 5.827 5.317 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.097 7.588 5.385 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -1.164 8.803 5.309 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.169 9.538 7.180 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.606 9.092 8.795 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.686 4.730 3.396 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.205 3.399 3.141 1.00 0.00 C ATOM 1382 C LEU B 65 -2.300 2.447 3.921 1.00 0.00 C ATOM 1383 O LEU B 65 -1.088 2.501 3.742 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.107 3.065 1.659 1.00 0.00 C ATOM 1385 CG LEU B 65 -3.988 1.916 1.187 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.326 2.425 0.703 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.270 1.125 0.113 1.00 0.00 C ATOM 0 H LEU B 65 -1.670 4.775 3.323 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.251 3.322 3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.364 3.956 1.086 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.070 2.824 1.426 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.183 1.251 2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.936 1.585 0.371 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.834 2.944 1.516 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.174 3.114 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.905 0.304 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.047 1.777 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.341 0.723 0.517 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.831 1.596 4.782 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.947 0.730 5.556 1.00 0.00 C ATOM 1401 C GLN B 66 -2.407 -0.709 5.595 1.00 0.00 C ATOM 1402 O GLN B 66 -3.600 -1.012 5.534 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.766 1.242 6.988 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.897 0.870 7.924 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.415 0.531 9.317 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -2.024 -0.598 9.579 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.472 1.497 10.222 1.00 0.00 N ATOM 0 H GLN B 66 -3.829 1.484 4.962 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.990 0.760 5.036 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.832 0.847 7.388 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.669 2.327 6.965 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.604 1.698 7.980 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.437 0.017 7.513 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.805 2.424 9.958 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.183 1.313 11.183 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.428 -1.584 5.709 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.667 -3.002 5.782 1.00 0.00 C ATOM 1418 C LEU B 67 -1.140 -3.552 7.092 1.00 0.00 C ATOM 1419 O LEU B 67 0.053 -3.467 7.378 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.986 -3.717 4.617 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.380 -3.212 3.236 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.446 -3.775 2.178 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.824 -3.578 2.923 1.00 0.00 C ATOM 0 H LEU B 67 -0.442 -1.325 5.753 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.742 -3.174 5.725 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.094 -3.617 4.730 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.216 -4.781 4.678 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.293 -2.125 3.230 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.742 -3.404 1.197 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.576 -3.462 2.391 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.501 -4.864 2.186 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -3.086 -3.208 1.932 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.938 -4.662 2.948 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.483 -3.126 3.665 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.041 -4.069 7.898 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.672 -4.682 9.162 1.00 0.00 C ATOM 1437 C VAL B 68 -1.258 -6.099 8.845 1.00 0.00 C ATOM 1438 O VAL B 68 -1.997 -6.796 8.169 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.848 -4.709 10.164 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.384 -5.190 11.532 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.511 -3.343 10.268 1.00 0.00 C ATOM 0 H VAL B 68 -3.042 -4.078 7.702 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.873 -4.106 9.628 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.590 -5.414 9.789 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.229 -5.200 12.220 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.975 -6.197 11.444 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.615 -4.518 11.912 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.335 -3.392 10.980 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.781 -2.609 10.608 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.893 -3.049 9.291 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.090 -6.524 9.277 1.00 0.00 N ATOM 1452 CA LEU B 69 0.351 -7.875 8.966 1.00 0.00 C ATOM 1453 C LEU B 69 0.159 -8.803 10.153 1.00 0.00 C ATOM 1454 O LEU B 69 0.001 -8.343 11.285 1.00 0.00 O ATOM 1455 CB LEU B 69 1.808 -7.888 8.520 1.00 0.00 C ATOM 1456 CG LEU B 69 2.236 -6.710 7.644 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.670 -6.889 7.178 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.311 -6.555 6.449 1.00 0.00 C ATOM 0 H LEU B 69 0.562 -5.971 9.833 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.266 -8.237 8.143 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.442 -7.909 9.407 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.995 -8.812 7.973 1.00 0.00 H new ATOM 0 HG LEU B 69 2.172 -5.803 8.245 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.959 -6.042 6.556 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.330 -6.945 8.044 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.752 -7.809 6.599 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.638 -5.710 5.843 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.337 -7.464 5.848 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.293 -6.379 6.797 1.00 0.00 H new ATOM 1470 N HIS B 70 0.159 -10.113 9.890 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.010 -11.108 10.959 1.00 0.00 C ATOM 1472 C HIS B 70 1.092 -10.971 12.001 1.00 0.00 C ATOM 1473 O HIS B 70 0.917 -11.351 13.157 1.00 0.00 O ATOM 1474 CB HIS B 70 0.031 -12.548 10.435 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.706 -12.801 9.159 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -2.078 -12.782 9.024 1.00 0.00 N ATOM 1477 CD2 HIS B 70 -0.218 -13.129 7.945 1.00 0.00 C ATOM 1478 CE1 HIS B 70 -2.365 -13.104 7.751 1.00 0.00 C ATOM 1479 NE2 HIS B 70 -1.273 -13.320 7.065 1.00 0.00 N ATOM 0 H HIS B 70 0.273 -10.509 8.957 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.990 -10.913 11.395 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.074 -12.832 10.292 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.376 -13.205 11.203 1.00 0.00 H new ATOM 0 HD2 HIS B 70 0.829 -13.227 7.697 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.365 -13.175 7.348 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -1.210 -13.577 6.080 1.00 0.00 H new ATOM 1487 N ALA B 71 2.227 -10.431 11.575 1.00 0.00 N ATOM 1488 CA ALA B 71 3.376 -10.249 12.451 1.00 0.00 C ATOM 1489 C ALA B 71 3.091 -9.213 13.536 1.00 0.00 C ATOM 1490 O ALA B 71 3.777 -9.170 14.556 1.00 0.00 O ATOM 1491 CB ALA B 71 4.594 -9.855 11.630 1.00 0.00 C ATOM 0 H ALA B 71 2.376 -10.109 10.619 1.00 0.00 H new ATOM 0 HA ALA B 71 3.579 -11.195 12.953 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.450 -9.720 12.291 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.814 -10.640 10.906 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.392 -8.922 11.104 1.00 0.00 H new ATOM 1497 N GLY B 72 2.077 -8.386 13.313 1.00 0.00 N ATOM 1498 CA GLY B 72 1.723 -7.375 14.290 1.00 0.00 C ATOM 1499 C GLY B 72 2.156 -5.991 13.867 1.00 0.00 C ATOM 1500 O GLY B 72 1.801 -4.999 14.504 1.00 0.00 O ATOM 0 H GLY B 72 1.495 -8.397 12.475 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.644 -7.384 14.444 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.184 -7.621 15.247 1.00 0.00 H new ATOM 1504 N ASP B 73 2.924 -5.925 12.791 1.00 0.00 N ATOM 1505 CA ASP B 73 3.406 -4.654 12.276 1.00 0.00 C ATOM 1506 C ASP B 73 2.419 -4.096 11.258 1.00 0.00 C ATOM 1507 O ASP B 73 1.538 -4.816 10.775 1.00 0.00 O ATOM 1508 CB ASP B 73 4.793 -4.814 11.650 1.00 0.00 C ATOM 1509 CG ASP B 73 4.782 -5.693 10.418 1.00 0.00 C ATOM 1510 OD1 ASP B 73 4.369 -6.870 10.527 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.194 -5.209 9.345 1.00 0.00 O ATOM 0 H ASP B 73 3.227 -6.739 12.256 1.00 0.00 H new ATOM 0 HA ASP B 73 3.490 -3.951 13.105 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.183 -3.831 11.386 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.473 -5.239 12.388 1.00 0.00 H new ATOM 1516 N THR B 74 2.553 -2.816 10.943 1.00 0.00 N ATOM 1517 CA THR B 74 1.653 -2.167 10.005 1.00 0.00 C ATOM 1518 C THR B 74 2.417 -1.285 9.021 1.00 0.00 C ATOM 1519 O THR B 74 3.284 -0.501 9.420 1.00 0.00 O ATOM 1520 CB THR B 74 0.629 -1.288 10.755 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.308 -0.260 11.491 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.216 -2.113 11.715 1.00 0.00 C ATOM 0 H THR B 74 3.277 -2.207 11.324 1.00 0.00 H new ATOM 0 HA THR B 74 1.138 -2.956 9.457 1.00 0.00 H new ATOM 0 HB THR B 74 -0.029 -0.841 10.010 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.409 0.534 10.926 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.926 -1.463 12.226 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.759 -2.876 11.158 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.431 -2.592 12.450 1.00 0.00 H new ATOM 1530 N THR B 75 2.101 -1.410 7.742 1.00 0.00 N ATOM 1531 CA THR B 75 2.744 -0.594 6.728 1.00 0.00 C ATOM 1532 C THR B 75 1.812 0.549 6.328 1.00 0.00 C ATOM 1533 O THR B 75 0.908 0.355 5.519 1.00 0.00 O ATOM 1534 CB THR B 75 3.081 -1.437 5.485 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.025 -2.833 5.814 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.463 -1.089 4.953 1.00 0.00 C ATOM 0 H THR B 75 1.407 -2.066 7.384 1.00 0.00 H new ATOM 0 HA THR B 75 3.670 -0.192 7.140 1.00 0.00 H new ATOM 0 HB THR B 75 2.347 -1.216 4.710 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.239 -3.365 5.019 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.679 -1.698 4.075 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.493 -0.034 4.680 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.209 -1.286 5.723 1.00 0.00 H new ATOM 1544 N ASN B 76 2.034 1.736 6.891 1.00 0.00 N ATOM 1545 CA ASN B 76 1.188 2.890 6.585 1.00 0.00 C ATOM 1546 C ASN B 76 1.828 3.731 5.485 1.00 0.00 C ATOM 1547 O ASN B 76 2.856 4.377 5.698 1.00 0.00 O ATOM 1548 CB ASN B 76 0.898 3.777 7.829 1.00 0.00 C ATOM 1549 CG ASN B 76 0.753 3.023 9.156 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.420 2.020 9.408 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.113 3.525 10.035 1.00 0.00 N ATOM 0 H ASN B 76 2.785 1.924 7.555 1.00 0.00 H new ATOM 0 HA ASN B 76 0.230 2.497 6.245 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.703 4.505 7.931 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.019 4.339 7.648 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.236 3.077 10.943 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.653 4.358 9.800 1.00 0.00 H new ATOM 1558 N PHE B 77 1.214 3.705 4.308 1.00 0.00 N ATOM 1559 CA PHE B 77 1.701 4.444 3.148 1.00 0.00 C ATOM 1560 C PHE B 77 1.171 5.875 3.138 1.00 0.00 C ATOM 1561 O PHE B 77 -0.023 6.098 2.966 1.00 0.00 O ATOM 1562 CB PHE B 77 1.297 3.722 1.863 1.00 0.00 C ATOM 1563 CG PHE B 77 2.110 2.488 1.600 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.474 2.583 1.376 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.516 1.236 1.578 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.230 1.453 1.136 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.269 0.103 1.337 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.627 0.211 1.115 1.00 0.00 C ATOM 0 H PHE B 77 0.364 3.171 4.130 1.00 0.00 H new ATOM 0 HA PHE B 77 2.788 4.491 3.208 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.243 3.450 1.922 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.403 4.406 1.021 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.951 3.552 1.389 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.454 1.145 1.751 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.293 1.540 0.965 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.795 -0.867 1.322 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.217 -0.674 0.925 1.00 0.00 H new ATOM 1578 N HIS B 78 2.074 6.832 3.308 1.00 0.00 N ATOM 1579 CA HIS B 78 1.732 8.254 3.339 1.00 0.00 C ATOM 1580 C HIS B 78 1.801 8.854 1.931 1.00 0.00 C ATOM 1581 O HIS B 78 2.882 9.093 1.402 1.00 0.00 O ATOM 1582 CB HIS B 78 2.695 8.984 4.296 1.00 0.00 C ATOM 1583 CG HIS B 78 2.595 10.487 4.295 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.539 11.311 4.868 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.653 11.312 3.767 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.153 12.579 4.671 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.017 12.632 4.009 1.00 0.00 N ATOM 0 H HIS B 78 3.070 6.646 3.429 1.00 0.00 H new ATOM 0 HA HIS B 78 0.711 8.375 3.700 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.513 8.626 5.309 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.717 8.705 4.038 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.764 10.993 3.243 1.00 0.00 H new ATOM 0 HE1 HIS B 78 3.702 13.444 5.011 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.507 13.470 3.730 1.00 0.00 H new ATOM 1595 N PHE B 79 0.647 9.100 1.332 1.00 0.00 N ATOM 1596 CA PHE B 79 0.589 9.681 -0.005 1.00 0.00 C ATOM 1597 C PHE B 79 0.835 11.184 0.073 1.00 0.00 C ATOM 1598 O PHE B 79 -0.069 11.949 0.409 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.774 9.422 -0.667 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.071 7.976 -0.961 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.221 7.051 0.062 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.223 7.550 -2.267 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.512 5.729 -0.218 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.518 6.233 -2.552 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.662 5.321 -1.530 1.00 0.00 C ATOM 0 H PHE B 79 -0.264 8.907 1.748 1.00 0.00 H new ATOM 0 HA PHE B 79 1.362 9.209 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.557 9.814 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.821 9.984 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.109 7.367 1.089 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.109 8.258 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.622 5.017 0.586 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.636 5.917 -3.578 1.00 0.00 H new ATOM 0 HZ PHE B 79 -1.892 4.290 -1.753 1.00 0.00 H new ATOM 1615 N SER B 80 2.053 11.607 -0.236 1.00 0.00 N ATOM 1616 CA SER B 80 2.399 13.022 -0.180 1.00 0.00 C ATOM 1617 C SER B 80 2.118 13.711 -1.508 1.00 0.00 C ATOM 1618 O SER B 80 2.952 14.451 -2.026 1.00 0.00 O ATOM 1619 CB SER B 80 3.866 13.200 0.204 1.00 0.00 C ATOM 1620 OG SER B 80 4.711 12.389 -0.596 1.00 0.00 O ATOM 0 H SER B 80 2.815 10.995 -0.527 1.00 0.00 H new ATOM 0 HA SER B 80 1.775 13.487 0.583 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.149 14.246 0.091 1.00 0.00 H new ATOM 0 HB3 SER B 80 4.002 12.945 1.255 1.00 0.00 H new ATOM 0 HG SER B 80 4.184 11.970 -1.308 1.00 0.00 H new ATOM 1626 N ASN B 81 0.950 13.452 -2.058 1.00 0.00 N ATOM 1627 CA ASN B 81 0.556 14.062 -3.314 1.00 0.00 C ATOM 1628 C ASN B 81 -0.725 14.847 -3.091 1.00 0.00 C ATOM 1629 O ASN B 81 -1.817 14.310 -3.201 1.00 0.00 O ATOM 1630 CB ASN B 81 0.353 12.995 -4.391 1.00 0.00 C ATOM 1631 CG ASN B 81 0.660 13.496 -5.796 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.674 14.809 -5.988 1.00 0.00 O flip ATOM 1633 ND2 ASN B 81 0.906 12.704 -6.703 1.00 0.00 N flip ATOM 0 H ASN B 81 0.255 12.823 -1.656 1.00 0.00 H new ATOM 0 HA ASN B 81 1.343 14.733 -3.658 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.990 12.139 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.678 12.643 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.887 11.700 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.129 13.050 -7.636 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.569 16.119 -2.774 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.694 17.019 -2.483 1.00 0.00 C ATOM 1642 C GLU B 82 -2.837 16.932 -3.507 1.00 0.00 C ATOM 1643 O GLU B 82 -4.011 17.007 -3.141 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.189 18.471 -2.378 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.692 19.080 -3.693 1.00 0.00 C ATOM 1646 CD GLU B 82 0.329 18.212 -4.404 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.429 18.018 -3.859 1.00 0.00 O ATOM 1648 OE2 GLU B 82 0.004 17.676 -5.487 1.00 0.00 O ATOM 0 H GLU B 82 0.344 16.570 -2.708 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.112 16.692 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.995 19.093 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.379 18.506 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -1.543 19.245 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.252 20.056 -3.490 1.00 0.00 H new ATOM 1655 N SER B 83 -2.498 16.761 -4.774 1.00 0.00 N ATOM 1656 CA SER B 83 -3.496 16.706 -5.830 1.00 0.00 C ATOM 1657 C SER B 83 -4.238 15.366 -5.903 1.00 0.00 C ATOM 1658 O SER B 83 -5.464 15.341 -6.029 1.00 0.00 O ATOM 1659 CB SER B 83 -2.824 17.008 -7.171 1.00 0.00 C ATOM 1660 OG SER B 83 -1.522 16.449 -7.219 1.00 0.00 O ATOM 0 H SER B 83 -1.536 16.658 -5.097 1.00 0.00 H new ATOM 0 HA SER B 83 -4.251 17.457 -5.597 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.428 16.605 -7.984 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.767 18.086 -7.320 1.00 0.00 H new ATOM 0 HG SER B 83 -0.883 17.074 -6.819 1.00 0.00 H new ATOM 1666 N THR B 84 -3.520 14.256 -5.792 1.00 0.00 N ATOM 1667 CA THR B 84 -4.152 12.946 -5.922 1.00 0.00 C ATOM 1668 C THR B 84 -3.769 11.984 -4.790 1.00 0.00 C ATOM 1669 O THR B 84 -3.578 10.793 -5.010 1.00 0.00 O ATOM 1670 CB THR B 84 -3.815 12.324 -7.304 1.00 0.00 C ATOM 1671 OG1 THR B 84 -4.479 11.068 -7.477 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.313 12.147 -7.479 1.00 0.00 C ATOM 0 H THR B 84 -2.516 14.233 -5.615 1.00 0.00 H new ATOM 0 HA THR B 84 -5.228 13.102 -5.846 1.00 0.00 H new ATOM 0 HB THR B 84 -4.171 13.016 -8.067 1.00 0.00 H new ATOM 0 HG1 THR B 84 -4.268 10.480 -6.722 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.110 11.709 -8.456 1.00 0.00 H new ATOM 0 HG22 THR B 84 -1.821 13.117 -7.406 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.931 11.488 -6.700 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.692 12.489 -3.570 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.337 11.650 -2.430 1.00 0.00 C ATOM 1682 C ALA B 85 -4.387 10.571 -2.192 1.00 0.00 C ATOM 1683 O ALA B 85 -4.129 9.391 -2.421 1.00 0.00 O ATOM 1684 CB ALA B 85 -3.155 12.498 -1.186 1.00 0.00 C ATOM 0 H ALA B 85 -3.868 13.467 -3.341 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.393 11.155 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.891 11.858 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.359 13.224 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -4.084 13.023 -0.964 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.572 10.973 -1.746 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.654 10.017 -1.505 1.00 0.00 C ATOM 1692 C VAL B 86 -7.068 9.337 -2.804 1.00 0.00 C ATOM 1693 O VAL B 86 -7.400 8.157 -2.821 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.882 10.683 -0.830 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.190 10.010 -1.228 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.728 10.641 0.679 1.00 0.00 C ATOM 0 H VAL B 86 -5.810 11.944 -1.545 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.271 9.264 -0.816 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.922 11.717 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.022 10.510 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.319 10.076 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.166 8.962 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.594 11.110 1.146 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.655 9.605 1.009 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.824 11.178 0.968 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.998 10.084 -3.893 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.370 9.568 -5.200 1.00 0.00 C ATOM 1708 C LYS B 87 -6.491 8.373 -5.580 1.00 0.00 C ATOM 1709 O LYS B 87 -7.002 7.303 -5.928 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.284 10.681 -6.250 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.239 11.844 -5.985 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.592 12.936 -5.137 1.00 0.00 C ATOM 1713 CE LYS B 87 -8.609 13.651 -4.258 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.962 14.587 -3.296 1.00 0.00 N ATOM 0 H LYS B 87 -6.685 11.055 -3.898 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.401 9.218 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.263 11.060 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.500 10.261 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.565 12.268 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.130 11.473 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.816 12.497 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.103 13.660 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.306 14.204 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -9.193 12.914 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.655 14.882 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.164 14.109 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.614 15.424 -3.806 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.172 8.537 -5.478 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.260 7.445 -5.796 1.00 0.00 C ATOM 1730 C GLU B 88 -4.426 6.348 -4.749 1.00 0.00 C ATOM 1731 O GLU B 88 -4.431 5.162 -5.066 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.804 7.931 -5.834 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.392 8.538 -7.170 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.353 7.717 -7.919 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.135 7.909 -7.686 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -1.739 6.895 -8.773 1.00 0.00 O ATOM 0 H GLU B 88 -4.719 9.402 -5.182 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.500 7.055 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.658 8.672 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.145 7.093 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.277 8.648 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -1.996 9.539 -6.998 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.607 6.779 -3.502 1.00 0.00 N ATOM 1744 CA ARG B 89 -4.788 5.879 -2.365 1.00 0.00 C ATOM 1745 C ARG B 89 -5.965 4.935 -2.582 1.00 0.00 C ATOM 1746 O ARG B 89 -5.855 3.731 -2.348 1.00 0.00 O ATOM 1747 CB ARG B 89 -4.975 6.709 -1.084 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.730 6.013 0.042 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.139 6.573 0.199 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.561 6.635 1.599 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.837 6.669 1.993 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.820 6.675 1.098 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.128 6.718 3.287 1.00 0.00 N ATOM 0 H ARG B 89 -4.632 7.767 -3.251 1.00 0.00 H new ATOM 0 HA ARG B 89 -3.897 5.259 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -3.992 7.000 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -5.504 7.627 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.783 4.943 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.183 6.133 0.977 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.181 7.572 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.838 5.953 -0.362 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.837 6.653 2.317 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.603 6.654 0.102 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.792 6.701 1.408 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -8.378 6.730 3.978 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.102 6.744 3.590 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.082 5.479 -3.039 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.271 4.678 -3.278 1.00 0.00 C ATOM 1769 C ASP B 90 -8.065 3.692 -4.411 1.00 0.00 C ATOM 1770 O ASP B 90 -8.618 2.597 -4.375 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.489 5.556 -3.546 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.238 5.874 -2.267 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -9.771 6.737 -1.498 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.275 5.228 -2.010 1.00 0.00 O ATOM 0 H ASP B 90 -7.190 6.471 -3.251 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.457 4.107 -2.368 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.172 6.483 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.157 5.050 -4.244 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.251 4.059 -5.395 1.00 0.00 N ATOM 1780 CA ALA B 91 -6.978 3.163 -6.519 1.00 0.00 C ATOM 1781 C ALA B 91 -6.240 1.926 -6.017 1.00 0.00 C ATOM 1782 O ALA B 91 -6.452 0.806 -6.489 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.168 3.876 -7.593 1.00 0.00 C ATOM 0 H ALA B 91 -6.773 4.959 -5.440 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.923 2.855 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.977 3.191 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.727 4.738 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.220 4.210 -7.172 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.395 2.151 -5.025 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.615 1.090 -4.404 1.00 0.00 C ATOM 1791 C VAL B 92 -5.534 0.266 -3.526 1.00 0.00 C ATOM 1792 O VAL B 92 -5.522 -0.962 -3.564 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.465 1.644 -3.533 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.437 0.564 -3.246 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.802 2.839 -4.188 1.00 0.00 C ATOM 0 H VAL B 92 -5.229 3.075 -4.626 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.174 0.488 -5.198 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.898 1.973 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.637 0.977 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -2.914 -0.260 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.021 0.199 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.998 3.204 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.393 2.544 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.538 3.630 -4.332 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.338 0.980 -2.744 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.314 0.378 -1.848 1.00 0.00 C ATOM 1807 C LYS B 93 -8.187 -0.596 -2.619 1.00 0.00 C ATOM 1808 O LYS B 93 -8.385 -1.735 -2.212 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.181 1.486 -1.235 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.248 0.992 -0.274 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.585 0.740 -0.963 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.374 2.023 -1.165 1.00 0.00 C ATOM 1813 NZ LYS B 93 -11.112 2.641 -2.492 1.00 0.00 N ATOM 0 H LYS B 93 -6.329 2.000 -2.716 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.800 -0.164 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.533 2.188 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.664 2.040 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.908 0.071 0.199 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.385 1.726 0.520 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.411 0.266 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.174 0.043 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.439 1.812 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.117 2.733 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.519 3.598 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -10.086 2.697 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.548 2.061 -3.237 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.677 -0.118 -3.747 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.537 -0.881 -4.633 1.00 0.00 C ATOM 1829 C ASP B 94 -8.902 -2.200 -5.045 1.00 0.00 C ATOM 1830 O ASP B 94 -9.484 -3.271 -4.852 1.00 0.00 O ATOM 1831 CB ASP B 94 -9.846 -0.029 -5.863 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.105 0.799 -5.699 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.456 1.132 -4.545 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -11.742 1.117 -6.720 1.00 0.00 O ATOM 0 H ASP B 94 -8.486 0.827 -4.079 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.457 -1.127 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.004 0.633 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.953 -0.678 -6.732 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.706 -2.127 -5.606 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.003 -3.325 -6.042 1.00 0.00 C ATOM 1841 C LEU B 95 -6.672 -4.222 -4.854 1.00 0.00 C ATOM 1842 O LEU B 95 -6.874 -5.434 -4.910 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.727 -2.954 -6.804 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.720 -3.287 -8.304 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.059 -2.947 -8.946 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.601 -2.534 -9.003 1.00 0.00 C ATOM 0 H LEU B 95 -7.202 -1.255 -5.770 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.660 -3.877 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.556 -1.884 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.886 -3.464 -6.335 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.552 -4.358 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.026 -3.193 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.850 -3.522 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.260 -1.882 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.606 -2.778 -10.065 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.750 -1.462 -8.876 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.643 -2.821 -8.569 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.210 -3.619 -3.766 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.833 -4.375 -2.578 1.00 0.00 C ATOM 1860 C LEU B 96 -7.021 -5.075 -1.931 1.00 0.00 C ATOM 1861 O LEU B 96 -6.951 -6.267 -1.639 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.138 -3.480 -1.567 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.729 -3.086 -1.977 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.052 -2.280 -0.884 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.910 -4.318 -2.320 1.00 0.00 C ATOM 0 H LEU B 96 -6.087 -2.610 -3.681 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.140 -5.149 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.732 -2.578 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.099 -3.993 -0.606 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.797 -2.459 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.045 -2.010 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.627 -1.374 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -2.998 -2.876 0.027 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.904 -4.017 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.855 -4.972 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.382 -4.851 -3.145 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.115 -4.345 -1.729 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.308 -4.910 -1.106 1.00 0.00 C ATOM 1879 C GLN B 97 -9.886 -6.032 -1.963 1.00 0.00 C ATOM 1880 O GLN B 97 -10.595 -6.904 -1.470 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.366 -3.825 -0.856 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.123 -3.388 -2.098 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.444 -2.717 -1.767 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.510 -2.049 -0.621 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -13.401 -2.800 -2.534 1.00 0.00 N flip ATOM 0 H GLN B 97 -8.200 -3.362 -1.988 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.016 -5.328 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.081 -4.195 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.879 -2.954 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.504 -2.700 -2.674 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.308 -4.256 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.312 -3.322 -3.406 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.284 -2.347 -2.299 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.584 -5.996 -3.253 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.059 -7.024 -4.166 1.00 0.00 C ATOM 1896 C GLN B 98 -9.118 -8.230 -4.189 1.00 0.00 C ATOM 1897 O GLN B 98 -9.541 -9.355 -4.457 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.193 -6.453 -5.575 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.550 -5.831 -5.853 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.625 -5.198 -7.227 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.944 -5.863 -8.210 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.327 -3.912 -7.302 1.00 0.00 N ATOM 0 H GLN B 98 -9.015 -5.270 -3.689 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.034 -7.358 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.420 -5.700 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.012 -7.248 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.322 -6.596 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.762 -5.076 -5.096 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.067 -3.399 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.357 -3.433 -8.202 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.841 -7.987 -3.938 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.831 -9.045 -3.952 1.00 0.00 C ATOM 1913 C LEU B 99 -6.683 -9.747 -2.604 1.00 0.00 C ATOM 1914 O LEU B 99 -6.603 -10.974 -2.552 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.483 -8.464 -4.378 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.417 -8.040 -5.843 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.335 -6.993 -6.048 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.172 -9.245 -6.738 1.00 0.00 C ATOM 0 H LEU B 99 -7.473 -7.061 -3.720 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.167 -9.795 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.258 -7.601 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.706 -9.205 -4.191 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.376 -7.600 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.303 -6.703 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.555 -6.118 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.369 -7.406 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.128 -8.923 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.228 -9.716 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.984 -9.961 -6.614 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.663 -8.966 -1.528 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.473 -9.493 -0.173 1.00 0.00 C ATOM 1932 C LEU B 100 -7.323 -10.726 0.159 1.00 0.00 C ATOM 1933 O LEU B 100 -6.764 -11.748 0.535 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.691 -8.402 0.876 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.427 -7.630 1.246 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -5.672 -6.718 2.435 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.289 -8.589 1.544 1.00 0.00 C ATOM 0 H LEU B 100 -6.777 -7.953 -1.566 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.437 -9.830 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.437 -7.699 0.504 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.103 -8.857 1.777 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.150 -7.009 0.394 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.755 -6.181 2.676 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.457 -6.003 2.190 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -5.980 -7.315 3.294 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.395 -8.023 1.806 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -4.566 -9.235 2.377 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.087 -9.199 0.663 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.666 -10.679 0.015 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.541 -11.821 0.348 1.00 0.00 C ATOM 1951 C PRO B 101 -9.165 -13.126 -0.365 1.00 0.00 C ATOM 1952 O PRO B 101 -9.564 -14.207 0.060 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.935 -11.360 -0.102 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.697 -10.182 -0.984 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.449 -9.532 -0.466 1.00 0.00 C ATOM 0 HA PRO B 101 -9.465 -12.061 1.409 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.457 -12.153 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.555 -11.092 0.753 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.576 -10.489 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.540 -9.492 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.924 -8.982 -1.247 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.663 -8.823 0.334 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.405 -13.022 -1.447 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.000 -14.198 -2.206 1.00 0.00 C ATOM 1965 C LYS B 102 -6.709 -14.813 -1.665 1.00 0.00 C ATOM 1966 O LYS B 102 -6.429 -15.992 -1.903 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.818 -13.832 -3.678 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.085 -13.314 -4.334 1.00 0.00 C ATOM 1969 CD LYS B 102 -8.774 -12.483 -5.567 1.00 0.00 C ATOM 1970 CE LYS B 102 -10.042 -11.942 -6.203 1.00 0.00 C ATOM 1971 NZ LYS B 102 -9.819 -10.617 -6.842 1.00 0.00 N ATOM 0 H LYS B 102 -8.057 -12.138 -1.818 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.791 -14.941 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.039 -13.074 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.469 -14.710 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.722 -14.154 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.646 -12.711 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.120 -11.655 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.233 -13.092 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -10.404 -12.649 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.820 -11.853 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.716 -10.266 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.465 -9.944 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.120 -10.713 -7.606 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.926 -14.022 -0.938 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.650 -14.500 -0.409 1.00 0.00 C ATOM 1987 C PHE B 103 -4.593 -14.474 1.118 1.00 0.00 C ATOM 1988 O PHE B 103 -3.783 -15.185 1.710 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.499 -13.675 -0.986 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.436 -13.697 -2.489 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.864 -14.766 -3.157 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.953 -12.647 -3.231 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.808 -14.789 -4.537 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.901 -12.663 -4.610 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.328 -13.735 -5.266 1.00 0.00 C ATOM 0 H PHE B 103 -6.149 -13.055 -0.702 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.552 -15.541 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.599 -12.643 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.557 -14.051 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.457 -15.592 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.402 -11.806 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.359 -15.629 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.308 -11.838 -5.176 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.286 -13.750 -6.345 1.00 0.00 H new