USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1122 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 67 HIS : no HE2:sc= 0.179 K(o=2.2,f=-11!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.99 K(o=2.2,f=-13!) USER MOD Set 2.1: B 9 HIS : no HD1:sc= -0.317 K(o=-0.24,f=-0.95) USER MOD Set 2.2: B 37 HIS : no HD1:sc= -0.174 K(o=-0.24,f=-1.3) USER MOD Set 2.3: B 40 THR OG1 : rot -5:sc= 0.253 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.669 K(o=-2,f=-13!) USER MOD Set 3.2: B 67 HIS : no HE2:sc= -2.65! C(o=-2!,f=-8.3!) USER MOD Set 4.1: A 12 CYS SG : rot -39:sc= 2.01 USER MOD Set 4.2: A 15 CYS SG : rot 51:sc= -1.63! USER MOD Set 5.1: A 9 HIS : no HD1:sc= -0.715 K(o=1.1,f=-5.1!) USER MOD Set 5.2: A 37 HIS : no HD1:sc= 0.742 K(o=1.1,f=-5.5!) USER MOD Set 5.3: A 40 THR OG1 : rot 56:sc= 1.04 USER MOD Single : A 3 SER OG : rot -151:sc= 0.653 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 77:sc= 0.292 USER MOD Single : A 20 GLN : amide:sc= -0.0445 K(o=-0.045,f=-0.58) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 2.82 (180deg=2.45) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc=-0.00477 (180deg=-0.0785) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc=-0.00779 (180deg=-0.131) USER MOD Single : A 55 SER OG : rot -135:sc= 0.362 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.117!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 CYS SG : rot 180:sc= -0.132 USER MOD Single : B 15 CYS SG : rot 170:sc= -8.54! USER MOD Single : B 17 SER OG : rot 81:sc= 0.968 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 24 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.2) USER MOD Single : B 29 SER OG : rot -43:sc= 0.138 USER MOD Single : B 30 LYS NZ :NH3+ 162:sc= -0.0252 (180deg=-0.319) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= -0.0221 (180deg=-0.127) USER MOD Single : B 54 LYS NZ :NH3+ 163:sc= -0.107 (180deg=-0.458) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ -166:sc= -0.0361 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 26.928 16.345 -11.946 1.00 0.00 N ATOM 20 CA ALA A 2 27.490 15.450 -10.949 1.00 0.00 C ATOM 21 C ALA A 2 27.648 16.188 -9.629 1.00 0.00 C ATOM 22 O ALA A 2 28.731 16.666 -9.289 1.00 0.00 O ATOM 23 CB ALA A 2 28.821 14.877 -11.415 1.00 0.00 C ATOM 0 HA ALA A 2 26.807 14.613 -10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 2 29.218 14.211 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.673 14.319 -12.340 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.526 15.690 -11.590 1.00 0.00 H new ATOM 29 N SER A 3 26.547 16.306 -8.909 1.00 0.00 N ATOM 30 CA SER A 3 26.514 17.087 -7.687 1.00 0.00 C ATOM 31 C SER A 3 26.982 16.275 -6.488 1.00 0.00 C ATOM 32 O SER A 3 27.294 15.088 -6.600 1.00 0.00 O ATOM 33 CB SER A 3 25.099 17.599 -7.442 1.00 0.00 C ATOM 34 OG SER A 3 24.682 18.473 -8.478 1.00 0.00 O ATOM 0 H SER A 3 25.659 15.868 -9.152 1.00 0.00 H new ATOM 0 HA SER A 3 27.197 17.928 -7.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.411 16.756 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.059 18.120 -6.485 1.00 0.00 H new ATOM 0 HG SER A 3 24.040 19.121 -8.121 1.00 0.00 H new ATOM 40 N LYS A 4 27.028 16.930 -5.340 1.00 0.00 N ATOM 41 CA LYS A 4 27.412 16.286 -4.102 1.00 0.00 C ATOM 42 C LYS A 4 26.182 16.044 -3.240 1.00 0.00 C ATOM 43 O LYS A 4 25.391 16.959 -2.994 1.00 0.00 O ATOM 44 CB LYS A 4 28.435 17.149 -3.364 1.00 0.00 C ATOM 45 CG LYS A 4 28.817 16.629 -1.988 1.00 0.00 C ATOM 46 CD LYS A 4 29.943 17.453 -1.387 1.00 0.00 C ATOM 47 CE LYS A 4 29.610 18.937 -1.382 1.00 0.00 C ATOM 48 NZ LYS A 4 30.783 19.767 -1.015 1.00 0.00 N ATOM 0 H LYS A 4 26.800 17.920 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 4 27.870 15.322 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 4 29.336 17.225 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 4 28.034 18.157 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.948 16.659 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 4 29.125 15.586 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 4 30.135 17.119 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.859 17.287 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 4 29.251 19.232 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.799 19.124 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.514 20.772 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.110 19.504 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 31.549 19.608 -1.701 1.00 0.00 H new ATOM 62 N ALA A 5 26.022 14.810 -2.799 1.00 0.00 N ATOM 63 CA ALA A 5 24.881 14.423 -1.993 1.00 0.00 C ATOM 64 C ALA A 5 25.344 13.909 -0.639 1.00 0.00 C ATOM 65 O ALA A 5 26.062 12.916 -0.556 1.00 0.00 O ATOM 66 CB ALA A 5 24.064 13.367 -2.718 1.00 0.00 C ATOM 0 H ALA A 5 26.677 14.051 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 5 24.250 15.296 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.209 13.083 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.711 13.769 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.685 12.490 -2.903 1.00 0.00 H new ATOM 72 N ILE A 6 24.945 14.596 0.415 1.00 0.00 N ATOM 73 CA ILE A 6 25.343 14.218 1.760 1.00 0.00 C ATOM 74 C ILE A 6 24.185 13.535 2.476 1.00 0.00 C ATOM 75 O ILE A 6 23.152 14.150 2.734 1.00 0.00 O ATOM 76 CB ILE A 6 25.808 15.440 2.581 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.901 16.214 1.831 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.314 14.998 3.946 1.00 0.00 C ATOM 79 CD1 ILE A 6 28.158 15.408 1.574 1.00 0.00 C ATOM 0 H ILE A 6 24.345 15.420 0.367 1.00 0.00 H new ATOM 0 HA ILE A 6 26.182 13.528 1.673 1.00 0.00 H new ATOM 0 HB ILE A 6 24.955 16.103 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 6 26.500 16.557 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 6 27.162 17.103 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.638 15.870 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.513 14.492 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.154 14.315 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.882 16.024 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.585 15.087 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.912 14.533 0.972 1.00 0.00 H new ATOM 91 N PHE A 7 24.359 12.264 2.790 1.00 0.00 N ATOM 92 CA PHE A 7 23.299 11.480 3.400 1.00 0.00 C ATOM 93 C PHE A 7 23.515 11.362 4.907 1.00 0.00 C ATOM 94 O PHE A 7 24.407 10.649 5.362 1.00 0.00 O ATOM 95 CB PHE A 7 23.240 10.093 2.753 1.00 0.00 C ATOM 96 CG PHE A 7 22.051 9.271 3.167 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.764 9.708 2.898 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.219 8.057 3.813 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.668 8.951 3.266 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.128 7.297 4.184 1.00 0.00 C ATOM 101 CZ PHE A 7 19.851 7.744 3.910 1.00 0.00 C ATOM 0 H PHE A 7 25.226 11.751 2.632 1.00 0.00 H new ATOM 0 HA PHE A 7 22.348 11.986 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.227 10.210 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.150 9.548 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.616 10.652 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.215 7.701 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.670 9.303 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.273 6.353 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.996 7.150 4.199 1.00 0.00 H new ATOM 111 N TYR A 8 22.706 12.083 5.669 1.00 0.00 N ATOM 112 CA TYR A 8 22.777 12.044 7.126 1.00 0.00 C ATOM 113 C TYR A 8 21.811 11.003 7.672 1.00 0.00 C ATOM 114 O TYR A 8 20.634 10.994 7.308 1.00 0.00 O ATOM 115 CB TYR A 8 22.414 13.405 7.733 1.00 0.00 C ATOM 116 CG TYR A 8 23.439 14.499 7.524 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.500 14.659 8.408 1.00 0.00 C ATOM 118 CD2 TYR A 8 23.334 15.385 6.460 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.426 15.669 8.235 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.259 16.397 6.280 1.00 0.00 C ATOM 121 CZ TYR A 8 25.303 16.534 7.170 1.00 0.00 C ATOM 122 OH TYR A 8 26.227 17.542 6.995 1.00 0.00 O ATOM 0 H TYR A 8 21.987 12.707 5.301 1.00 0.00 H new ATOM 0 HA TYR A 8 23.801 11.788 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.465 13.733 7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.257 13.277 8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.602 13.982 9.244 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.517 15.282 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.243 15.780 8.932 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.164 17.077 5.446 1.00 0.00 H new ATOM 0 HH TYR A 8 25.997 18.062 6.197 1.00 0.00 H new ATOM 132 N HIS A 9 22.298 10.130 8.543 1.00 0.00 N ATOM 133 CA HIS A 9 21.423 9.187 9.227 1.00 0.00 C ATOM 134 C HIS A 9 22.038 8.735 10.548 1.00 0.00 C ATOM 135 O HIS A 9 23.182 9.073 10.854 1.00 0.00 O ATOM 136 CB HIS A 9 21.078 7.989 8.333 1.00 0.00 C ATOM 137 CG HIS A 9 22.203 7.038 8.051 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.463 5.982 8.885 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.040 6.982 6.992 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.441 5.305 8.313 1.00 0.00 C ATOM 141 NE2 HIS A 9 23.826 5.869 7.159 1.00 0.00 N ATOM 0 H HIS A 9 23.284 10.055 8.791 1.00 0.00 H new ATOM 0 HA HIS A 9 20.489 9.703 9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.266 7.433 8.801 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.700 8.366 7.383 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.083 7.681 6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.878 4.407 8.724 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.557 5.537 6.530 1.00 0.00 H new ATOM 149 N ALA A 10 21.274 7.981 11.329 1.00 0.00 N ATOM 150 CA ALA A 10 21.705 7.591 12.667 1.00 0.00 C ATOM 151 C ALA A 10 21.976 6.092 12.771 1.00 0.00 C ATOM 152 O ALA A 10 22.484 5.617 13.784 1.00 0.00 O ATOM 153 CB ALA A 10 20.666 8.016 13.692 1.00 0.00 C ATOM 0 H ALA A 10 20.355 7.628 11.061 1.00 0.00 H new ATOM 0 HA ALA A 10 22.646 8.102 12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.996 7.721 14.688 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.542 9.098 13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.715 7.534 13.467 1.00 0.00 H new ATOM 159 N GLY A 11 21.632 5.348 11.728 1.00 0.00 N ATOM 160 CA GLY A 11 21.911 3.921 11.721 1.00 0.00 C ATOM 161 C GLY A 11 20.703 3.063 12.052 1.00 0.00 C ATOM 162 O GLY A 11 20.769 1.837 11.958 1.00 0.00 O ATOM 0 H GLY A 11 21.168 5.702 10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.289 3.638 10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.703 3.711 12.440 1.00 0.00 H new ATOM 166 N CYS A 12 19.602 3.693 12.447 1.00 0.00 N ATOM 167 CA CYS A 12 18.375 2.961 12.744 1.00 0.00 C ATOM 168 C CYS A 12 17.821 2.303 11.477 1.00 0.00 C ATOM 169 O CYS A 12 18.164 2.715 10.366 1.00 0.00 O ATOM 170 CB CYS A 12 17.333 3.897 13.371 1.00 0.00 C ATOM 171 SG CYS A 12 16.937 5.353 12.376 1.00 0.00 S ATOM 0 H CYS A 12 19.533 4.703 12.569 1.00 0.00 H new ATOM 0 HA CYS A 12 18.606 2.174 13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 12 16.417 3.333 13.548 1.00 0.00 H new ATOM 0 HB3 CYS A 12 17.698 4.226 14.344 1.00 0.00 H new ATOM 0 HG CYS A 12 18.021 5.807 11.820 1.00 0.00 H new ATOM 177 N PRO A 13 16.968 1.267 11.624 1.00 0.00 N ATOM 178 CA PRO A 13 16.398 0.520 10.490 1.00 0.00 C ATOM 179 C PRO A 13 15.849 1.421 9.383 1.00 0.00 C ATOM 180 O PRO A 13 16.050 1.149 8.201 1.00 0.00 O ATOM 181 CB PRO A 13 15.269 -0.280 11.135 1.00 0.00 C ATOM 182 CG PRO A 13 15.729 -0.506 12.532 1.00 0.00 C ATOM 183 CD PRO A 13 16.506 0.724 12.918 1.00 0.00 C ATOM 0 HA PRO A 13 17.154 -0.088 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.328 0.269 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.102 -1.223 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.882 -0.659 13.201 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.352 -1.398 12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.882 1.440 13.453 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.343 0.480 13.572 1.00 0.00 H new ATOM 191 N VAL A 14 15.176 2.500 9.776 1.00 0.00 N ATOM 192 CA VAL A 14 14.612 3.454 8.822 1.00 0.00 C ATOM 193 C VAL A 14 15.704 4.022 7.912 1.00 0.00 C ATOM 194 O VAL A 14 15.501 4.207 6.711 1.00 0.00 O ATOM 195 CB VAL A 14 13.901 4.615 9.554 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.239 5.559 8.561 1.00 0.00 C ATOM 197 CG2 VAL A 14 12.881 4.080 10.549 1.00 0.00 C ATOM 0 H VAL A 14 15.007 2.737 10.754 1.00 0.00 H new ATOM 0 HA VAL A 14 13.882 2.918 8.215 1.00 0.00 H new ATOM 0 HB VAL A 14 14.654 5.178 10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.746 6.367 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.995 5.976 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.501 5.011 7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.392 4.914 11.053 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.134 3.487 10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.385 3.455 11.286 1.00 0.00 H new ATOM 207 N CYS A 15 16.871 4.267 8.494 1.00 0.00 N ATOM 208 CA CYS A 15 18.002 4.805 7.753 1.00 0.00 C ATOM 209 C CYS A 15 18.580 3.750 6.815 1.00 0.00 C ATOM 210 O CYS A 15 18.948 4.049 5.680 1.00 0.00 O ATOM 211 CB CYS A 15 19.083 5.284 8.721 1.00 0.00 C ATOM 212 SG CYS A 15 18.525 6.543 9.897 1.00 0.00 S ATOM 0 H CYS A 15 17.058 4.100 9.483 1.00 0.00 H new ATOM 0 HA CYS A 15 17.653 5.649 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.462 4.427 9.277 1.00 0.00 H new ATOM 0 HB3 CYS A 15 19.917 5.685 8.146 1.00 0.00 H new ATOM 0 HG CYS A 15 17.440 6.136 10.486 1.00 0.00 H new ATOM 218 N VAL A 16 18.642 2.513 7.300 1.00 0.00 N ATOM 219 CA VAL A 16 19.192 1.407 6.525 1.00 0.00 C ATOM 220 C VAL A 16 18.379 1.174 5.254 1.00 0.00 C ATOM 221 O VAL A 16 18.940 0.996 4.172 1.00 0.00 O ATOM 222 CB VAL A 16 19.236 0.103 7.354 1.00 0.00 C ATOM 223 CG1 VAL A 16 19.863 -1.029 6.551 1.00 0.00 C ATOM 224 CG2 VAL A 16 19.996 0.321 8.655 1.00 0.00 C ATOM 0 H VAL A 16 18.316 2.252 8.231 1.00 0.00 H new ATOM 0 HA VAL A 16 20.211 1.682 6.253 1.00 0.00 H new ATOM 0 HB VAL A 16 18.212 -0.180 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.883 -1.936 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.275 -1.206 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.881 -0.757 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.016 -0.608 9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.017 0.632 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.500 1.095 9.241 1.00 0.00 H new ATOM 234 N SER A 17 17.057 1.195 5.388 1.00 0.00 N ATOM 235 CA SER A 17 16.165 1.019 4.249 1.00 0.00 C ATOM 236 C SER A 17 16.427 2.084 3.184 1.00 0.00 C ATOM 237 O SER A 17 16.485 1.788 1.990 1.00 0.00 O ATOM 238 CB SER A 17 14.710 1.091 4.714 1.00 0.00 C ATOM 239 OG SER A 17 14.477 0.194 5.787 1.00 0.00 O ATOM 0 H SER A 17 16.579 1.333 6.278 1.00 0.00 H new ATOM 0 HA SER A 17 16.355 0.040 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.474 2.108 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.046 0.851 3.883 1.00 0.00 H new ATOM 0 HG SER A 17 14.847 0.569 6.613 1.00 0.00 H new ATOM 245 N ALA A 18 16.608 3.323 3.629 1.00 0.00 N ATOM 246 CA ALA A 18 16.846 4.435 2.721 1.00 0.00 C ATOM 247 C ALA A 18 18.216 4.326 2.060 1.00 0.00 C ATOM 248 O ALA A 18 18.366 4.602 0.868 1.00 0.00 O ATOM 249 CB ALA A 18 16.720 5.755 3.465 1.00 0.00 C ATOM 0 H ALA A 18 16.594 3.581 4.616 1.00 0.00 H new ATOM 0 HA ALA A 18 16.092 4.397 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.900 6.580 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.717 5.843 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.453 5.790 4.271 1.00 0.00 H new ATOM 255 N GLU A 19 19.209 3.912 2.835 1.00 0.00 N ATOM 256 CA GLU A 19 20.573 3.796 2.339 1.00 0.00 C ATOM 257 C GLU A 19 20.685 2.663 1.319 1.00 0.00 C ATOM 258 O GLU A 19 21.251 2.842 0.238 1.00 0.00 O ATOM 259 CB GLU A 19 21.541 3.556 3.503 1.00 0.00 C ATOM 260 CG GLU A 19 23.008 3.661 3.114 1.00 0.00 C ATOM 261 CD GLU A 19 23.945 3.275 4.242 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.294 4.146 5.067 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.346 2.093 4.302 1.00 0.00 O ATOM 0 H GLU A 19 19.094 3.650 3.814 1.00 0.00 H new ATOM 0 HA GLU A 19 20.838 4.731 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.332 4.278 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.355 2.566 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.198 3.018 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.224 4.683 2.802 1.00 0.00 H new ATOM 270 N GLN A 20 20.119 1.509 1.656 1.00 0.00 N ATOM 271 CA GLN A 20 20.219 0.327 0.806 1.00 0.00 C ATOM 272 C GLN A 20 19.420 0.487 -0.486 1.00 0.00 C ATOM 273 O GLN A 20 19.758 -0.107 -1.508 1.00 0.00 O ATOM 274 CB GLN A 20 19.740 -0.918 1.563 1.00 0.00 C ATOM 275 CG GLN A 20 19.865 -2.205 0.760 1.00 0.00 C ATOM 276 CD GLN A 20 21.298 -2.503 0.360 1.00 0.00 C ATOM 277 OE1 GLN A 20 22.236 -2.173 1.081 1.00 0.00 O ATOM 278 NE2 GLN A 20 21.477 -3.119 -0.797 1.00 0.00 N ATOM 0 H GLN A 20 19.585 1.366 2.513 1.00 0.00 H new ATOM 0 HA GLN A 20 21.269 0.207 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.315 -1.017 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.698 -0.779 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.475 -3.036 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.249 -2.132 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.672 -3.377 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.420 -3.336 -1.119 1.00 0.00 H new ATOM 287 N ALA A 21 18.362 1.281 -0.444 1.00 0.00 N ATOM 288 CA ALA A 21 17.518 1.457 -1.616 1.00 0.00 C ATOM 289 C ALA A 21 17.858 2.738 -2.373 1.00 0.00 C ATOM 290 O ALA A 21 18.417 2.689 -3.469 1.00 0.00 O ATOM 291 CB ALA A 21 16.051 1.449 -1.220 1.00 0.00 C ATOM 0 H ALA A 21 18.069 1.808 0.378 1.00 0.00 H new ATOM 0 HA ALA A 21 17.709 0.619 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.434 1.582 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.807 0.498 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.859 2.262 -0.520 1.00 0.00 H new ATOM 297 N VAL A 22 17.550 3.881 -1.775 1.00 0.00 N ATOM 298 CA VAL A 22 17.678 5.163 -2.459 1.00 0.00 C ATOM 299 C VAL A 22 19.137 5.487 -2.772 1.00 0.00 C ATOM 300 O VAL A 22 19.476 5.820 -3.908 1.00 0.00 O ATOM 301 CB VAL A 22 17.070 6.313 -1.626 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.083 7.616 -2.412 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.656 5.966 -1.184 1.00 0.00 C ATOM 0 H VAL A 22 17.209 3.948 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 22 17.126 5.072 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 22 17.684 6.448 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.650 8.411 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.110 7.875 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.498 7.497 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.246 6.789 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.031 5.798 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.677 5.062 -0.575 1.00 0.00 H new ATOM 313 N ALA A 23 20.003 5.353 -1.774 1.00 0.00 N ATOM 314 CA ALA A 23 21.412 5.702 -1.936 1.00 0.00 C ATOM 315 C ALA A 23 22.156 4.662 -2.772 1.00 0.00 C ATOM 316 O ALA A 23 23.340 4.820 -3.067 1.00 0.00 O ATOM 317 CB ALA A 23 22.074 5.866 -0.575 1.00 0.00 C ATOM 0 H ALA A 23 19.757 5.007 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 23 21.462 6.651 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.124 6.126 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.572 6.658 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.000 4.931 -0.020 1.00 0.00 H new ATOM 323 N ASN A 24 21.460 3.601 -3.151 1.00 0.00 N ATOM 324 CA ASN A 24 22.052 2.549 -3.969 1.00 0.00 C ATOM 325 C ASN A 24 21.574 2.686 -5.411 1.00 0.00 C ATOM 326 O ASN A 24 22.263 2.296 -6.352 1.00 0.00 O ATOM 327 CB ASN A 24 21.665 1.178 -3.410 1.00 0.00 C ATOM 328 CG ASN A 24 22.633 0.070 -3.786 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.276 0.100 -4.836 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.732 -0.929 -2.922 1.00 0.00 N ATOM 0 H ASN A 24 20.483 3.444 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 24 23.138 2.643 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.605 1.242 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 24 20.670 0.917 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.358 -1.711 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.182 -0.917 -2.063 1.00 0.00 H new ATOM 337 N ALA A 25 20.384 3.257 -5.575 1.00 0.00 N ATOM 338 CA ALA A 25 19.797 3.454 -6.894 1.00 0.00 C ATOM 339 C ALA A 25 20.442 4.635 -7.611 1.00 0.00 C ATOM 340 O ALA A 25 20.488 4.677 -8.841 1.00 0.00 O ATOM 341 CB ALA A 25 18.294 3.662 -6.776 1.00 0.00 C ATOM 0 H ALA A 25 19.805 3.593 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 25 19.984 2.558 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.868 3.808 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.841 2.786 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.095 4.541 -6.163 1.00 0.00 H new ATOM 347 N ILE A 26 20.931 5.595 -6.837 1.00 0.00 N ATOM 348 CA ILE A 26 21.601 6.758 -7.398 1.00 0.00 C ATOM 349 C ILE A 26 22.982 6.373 -7.922 1.00 0.00 C ATOM 350 O ILE A 26 23.748 5.697 -7.234 1.00 0.00 O ATOM 351 CB ILE A 26 21.739 7.890 -6.356 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.359 8.303 -5.835 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.462 9.088 -6.959 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.408 9.362 -4.753 1.00 0.00 C ATOM 0 H ILE A 26 20.876 5.590 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 26 20.988 7.124 -8.222 1.00 0.00 H new ATOM 0 HB ILE A 26 22.330 7.520 -5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.762 8.675 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.849 7.422 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.550 9.875 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.457 8.786 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.897 9.461 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.394 9.603 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.977 8.987 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.889 10.259 -5.143 1.00 0.00 H new ATOM 366 N ASP A 27 23.282 6.795 -9.144 1.00 0.00 N ATOM 367 CA ASP A 27 24.560 6.486 -9.777 1.00 0.00 C ATOM 368 C ASP A 27 25.705 7.177 -9.037 1.00 0.00 C ATOM 369 O ASP A 27 25.699 8.400 -8.881 1.00 0.00 O ATOM 370 CB ASP A 27 24.541 6.926 -11.241 1.00 0.00 C ATOM 371 CG ASP A 27 25.726 6.401 -12.027 1.00 0.00 C ATOM 372 OD1 ASP A 27 26.838 6.950 -11.892 1.00 0.00 O ATOM 373 OD2 ASP A 27 25.547 5.433 -12.791 1.00 0.00 O ATOM 0 H ASP A 27 22.654 7.356 -9.720 1.00 0.00 H new ATOM 0 HA ASP A 27 24.717 5.408 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 23.619 6.580 -11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.533 8.015 -11.288 1.00 0.00 H new ATOM 378 N PRO A 28 26.699 6.399 -8.576 1.00 0.00 N ATOM 379 CA PRO A 28 27.825 6.917 -7.780 1.00 0.00 C ATOM 380 C PRO A 28 28.667 7.956 -8.519 1.00 0.00 C ATOM 381 O PRO A 28 29.309 8.801 -7.897 1.00 0.00 O ATOM 382 CB PRO A 28 28.667 5.669 -7.487 1.00 0.00 C ATOM 383 CG PRO A 28 27.743 4.520 -7.692 1.00 0.00 C ATOM 384 CD PRO A 28 26.799 4.944 -8.776 1.00 0.00 C ATOM 0 HA PRO A 28 27.467 7.435 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.526 5.608 -8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.055 5.686 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.292 3.623 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.204 4.283 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 28 27.184 4.698 -9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 25.829 4.456 -8.681 1.00 0.00 H new ATOM 392 N SER A 29 28.665 7.893 -9.842 1.00 0.00 N ATOM 393 CA SER A 29 29.440 8.826 -10.644 1.00 0.00 C ATOM 394 C SER A 29 28.584 10.018 -11.058 1.00 0.00 C ATOM 395 O SER A 29 29.099 11.055 -11.478 1.00 0.00 O ATOM 396 CB SER A 29 29.998 8.119 -11.877 1.00 0.00 C ATOM 397 OG SER A 29 30.849 7.046 -11.505 1.00 0.00 O ATOM 0 H SER A 29 28.137 7.207 -10.381 1.00 0.00 H new ATOM 0 HA SER A 29 30.271 9.194 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 29 29.177 7.742 -12.487 1.00 0.00 H new ATOM 0 HB3 SER A 29 30.551 8.831 -12.490 1.00 0.00 H new ATOM 0 HG SER A 29 31.193 6.607 -12.311 1.00 0.00 H new ATOM 403 N LYS A 30 27.275 9.860 -10.934 1.00 0.00 N ATOM 404 CA LYS A 30 26.340 10.925 -11.261 1.00 0.00 C ATOM 405 C LYS A 30 26.164 11.850 -10.063 1.00 0.00 C ATOM 406 O LYS A 30 25.965 13.054 -10.212 1.00 0.00 O ATOM 407 CB LYS A 30 24.996 10.326 -11.674 1.00 0.00 C ATOM 408 CG LYS A 30 23.961 11.349 -12.107 1.00 0.00 C ATOM 409 CD LYS A 30 22.656 10.672 -12.492 1.00 0.00 C ATOM 410 CE LYS A 30 21.613 11.679 -12.944 1.00 0.00 C ATOM 411 NZ LYS A 30 20.354 11.012 -13.366 1.00 0.00 N ATOM 0 H LYS A 30 26.835 9.000 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 30 26.736 11.506 -12.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.160 9.625 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.595 9.753 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.783 12.057 -11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.342 11.921 -12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.840 9.955 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.273 10.109 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.402 12.374 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.009 12.267 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.603 11.724 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.505 10.529 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.072 10.316 -12.646 1.00 0.00 H new ATOM 425 N TYR A 31 26.233 11.276 -8.872 1.00 0.00 N ATOM 426 CA TYR A 31 26.144 12.045 -7.643 1.00 0.00 C ATOM 427 C TYR A 31 27.178 11.563 -6.639 1.00 0.00 C ATOM 428 O TYR A 31 27.234 10.376 -6.316 1.00 0.00 O ATOM 429 CB TYR A 31 24.744 11.947 -7.032 1.00 0.00 C ATOM 430 CG TYR A 31 23.754 12.946 -7.589 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.079 12.707 -8.781 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.495 14.133 -6.917 1.00 0.00 C ATOM 433 CE1 TYR A 31 22.176 13.625 -9.284 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.593 15.053 -7.413 1.00 0.00 C ATOM 435 CZ TYR A 31 21.939 14.797 -8.597 1.00 0.00 C ATOM 436 OH TYR A 31 21.038 15.711 -9.091 1.00 0.00 O ATOM 0 H TYR A 31 26.351 10.273 -8.731 1.00 0.00 H new ATOM 0 HA TYR A 31 26.342 13.088 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.358 10.941 -7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.819 12.089 -5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.263 11.791 -9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 31 24.008 14.340 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 31 21.659 13.425 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.401 15.969 -6.875 1.00 0.00 H new ATOM 0 HH TYR A 31 20.988 16.480 -8.486 1.00 0.00 H new ATOM 446 N THR A 32 27.995 12.484 -6.157 1.00 0.00 N ATOM 447 CA THR A 32 28.973 12.172 -5.130 1.00 0.00 C ATOM 448 C THR A 32 28.269 12.017 -3.786 1.00 0.00 C ATOM 449 O THR A 32 28.020 13.000 -3.087 1.00 0.00 O ATOM 450 CB THR A 32 30.048 13.275 -5.037 1.00 0.00 C ATOM 451 OG1 THR A 32 30.611 13.515 -6.336 1.00 0.00 O ATOM 452 CG2 THR A 32 31.155 12.879 -4.071 1.00 0.00 C ATOM 0 H THR A 32 28.000 13.457 -6.462 1.00 0.00 H new ATOM 0 HA THR A 32 29.468 11.237 -5.394 1.00 0.00 H new ATOM 0 HB THR A 32 29.573 14.183 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.292 14.217 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.899 13.674 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.732 12.719 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.628 11.960 -4.416 1.00 0.00 H new ATOM 460 N VAL A 33 27.916 10.786 -3.451 1.00 0.00 N ATOM 461 CA VAL A 33 27.149 10.515 -2.246 1.00 0.00 C ATOM 462 C VAL A 33 28.065 10.201 -1.071 1.00 0.00 C ATOM 463 O VAL A 33 28.689 9.138 -1.021 1.00 0.00 O ATOM 464 CB VAL A 33 26.166 9.340 -2.451 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.329 9.108 -1.199 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.270 9.590 -3.656 1.00 0.00 C ATOM 0 H VAL A 33 28.149 9.957 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 33 26.578 11.417 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 33 26.751 8.440 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.645 8.276 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.985 8.874 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.757 10.008 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.586 8.750 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.697 10.504 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.884 9.695 -4.551 1.00 0.00 H new ATOM 476 N GLU A 34 28.148 11.133 -0.133 1.00 0.00 N ATOM 477 CA GLU A 34 28.899 10.919 1.089 1.00 0.00 C ATOM 478 C GLU A 34 27.933 10.705 2.244 1.00 0.00 C ATOM 479 O GLU A 34 27.017 11.500 2.456 1.00 0.00 O ATOM 480 CB GLU A 34 29.824 12.100 1.394 1.00 0.00 C ATOM 481 CG GLU A 34 30.742 11.844 2.581 1.00 0.00 C ATOM 482 CD GLU A 34 31.572 13.049 2.965 1.00 0.00 C ATOM 483 OE1 GLU A 34 32.582 13.329 2.283 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.234 13.713 3.966 1.00 0.00 O ATOM 0 H GLU A 34 27.701 12.048 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 34 29.522 10.035 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.429 12.317 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.220 12.986 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.141 11.538 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.407 11.013 2.345 1.00 0.00 H new ATOM 491 N ILE A 35 28.130 9.627 2.976 1.00 0.00 N ATOM 492 CA ILE A 35 27.244 9.282 4.073 1.00 0.00 C ATOM 493 C ILE A 35 27.814 9.772 5.402 1.00 0.00 C ATOM 494 O ILE A 35 29.008 9.620 5.668 1.00 0.00 O ATOM 495 CB ILE A 35 27.009 7.757 4.126 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.384 7.282 2.809 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.122 7.388 5.306 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.181 5.783 2.728 1.00 0.00 C ATOM 0 H ILE A 35 28.898 8.972 2.831 1.00 0.00 H new ATOM 0 HA ILE A 35 26.287 9.776 3.901 1.00 0.00 H new ATOM 0 HB ILE A 35 27.969 7.258 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.422 7.776 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.021 7.597 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.970 6.309 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.601 7.702 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.159 7.889 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.735 5.528 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 27.143 5.280 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.519 5.462 3.532 1.00 0.00 H new ATOM 510 N VAL A 36 26.963 10.387 6.212 1.00 0.00 N ATOM 511 CA VAL A 36 27.360 10.869 7.524 1.00 0.00 C ATOM 512 C VAL A 36 26.548 10.167 8.604 1.00 0.00 C ATOM 513 O VAL A 36 25.326 10.323 8.681 1.00 0.00 O ATOM 514 CB VAL A 36 27.172 12.395 7.663 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.652 12.876 9.025 1.00 0.00 C ATOM 516 CG2 VAL A 36 27.898 13.132 6.548 1.00 0.00 C ATOM 0 H VAL A 36 25.986 10.564 5.979 1.00 0.00 H new ATOM 0 HA VAL A 36 28.420 10.645 7.642 1.00 0.00 H new ATOM 0 HB VAL A 36 26.107 12.614 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.510 13.954 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.080 12.379 9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.710 12.640 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.752 14.206 6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 36 28.963 12.904 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.500 12.816 5.584 1.00 0.00 H new ATOM 526 N HIS A 37 27.230 9.389 9.426 1.00 0.00 N ATOM 527 CA HIS A 37 26.579 8.645 10.488 1.00 0.00 C ATOM 528 C HIS A 37 26.584 9.467 11.774 1.00 0.00 C ATOM 529 O HIS A 37 27.621 9.621 12.424 1.00 0.00 O ATOM 530 CB HIS A 37 27.299 7.311 10.700 1.00 0.00 C ATOM 531 CG HIS A 37 26.517 6.303 11.486 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.560 6.271 12.857 1.00 0.00 N ATOM 533 CD2 HIS A 37 25.718 5.303 11.045 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.797 5.252 13.218 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.267 4.634 12.153 1.00 0.00 N ATOM 0 H HIS A 37 28.240 9.256 9.377 1.00 0.00 H new ATOM 0 HA HIS A 37 25.545 8.443 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.543 6.885 9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.243 7.499 11.211 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.481 5.076 10.016 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.623 4.955 14.242 1.00 0.00 H new ATOM 0 HE2 HIS A 37 24.648 3.823 12.165 1.00 0.00 H new ATOM 543 N LEU A 38 25.423 9.998 12.135 1.00 0.00 N ATOM 544 CA LEU A 38 25.307 10.886 13.288 1.00 0.00 C ATOM 545 C LEU A 38 25.440 10.117 14.598 1.00 0.00 C ATOM 546 O LEU A 38 25.670 10.706 15.651 1.00 0.00 O ATOM 547 CB LEU A 38 23.974 11.638 13.248 1.00 0.00 C ATOM 548 CG LEU A 38 23.777 12.542 12.028 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.441 13.260 12.106 1.00 0.00 C ATOM 550 CD2 LEU A 38 24.914 13.547 11.919 1.00 0.00 C ATOM 0 H LEU A 38 24.544 9.829 11.645 1.00 0.00 H new ATOM 0 HA LEU A 38 26.123 11.607 13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.163 10.911 13.277 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.890 12.246 14.149 1.00 0.00 H new ATOM 0 HG LEU A 38 23.781 11.917 11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.319 13.898 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.635 12.527 12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.409 13.872 13.008 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.757 14.181 11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.940 14.165 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.860 13.016 11.816 1.00 0.00 H new ATOM 562 N GLY A 39 25.304 8.800 14.527 1.00 0.00 N ATOM 563 CA GLY A 39 25.477 7.974 15.706 1.00 0.00 C ATOM 564 C GLY A 39 26.942 7.718 15.996 1.00 0.00 C ATOM 565 O GLY A 39 27.301 7.235 17.071 1.00 0.00 O ATOM 0 H GLY A 39 25.077 8.288 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.015 8.462 16.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.962 7.024 15.564 1.00 0.00 H new ATOM 569 N THR A 40 27.784 8.051 15.029 1.00 0.00 N ATOM 570 CA THR A 40 29.219 7.867 15.154 1.00 0.00 C ATOM 571 C THR A 40 29.857 9.035 15.905 1.00 0.00 C ATOM 572 O THR A 40 30.671 8.832 16.809 1.00 0.00 O ATOM 573 CB THR A 40 29.868 7.713 13.761 1.00 0.00 C ATOM 574 OG1 THR A 40 29.386 6.513 13.136 1.00 0.00 O ATOM 575 CG2 THR A 40 31.388 7.671 13.849 1.00 0.00 C ATOM 0 H THR A 40 27.491 8.455 14.139 1.00 0.00 H new ATOM 0 HA THR A 40 29.392 6.955 15.726 1.00 0.00 H new ATOM 0 HB THR A 40 29.592 8.582 13.164 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.407 6.536 13.095 1.00 0.00 H new ATOM 0 HG21 THR A 40 31.807 7.562 12.849 1.00 0.00 H new ATOM 0 HG22 THR A 40 31.752 8.596 14.296 1.00 0.00 H new ATOM 0 HG23 THR A 40 31.694 6.825 14.465 1.00 0.00 H new ATOM 583 N ASP A 41 29.467 10.253 15.554 1.00 0.00 N ATOM 584 CA ASP A 41 30.048 11.438 16.174 1.00 0.00 C ATOM 585 C ASP A 41 28.987 12.491 16.457 1.00 0.00 C ATOM 586 O ASP A 41 28.183 12.831 15.590 1.00 0.00 O ATOM 587 CB ASP A 41 31.145 12.027 15.290 1.00 0.00 C ATOM 588 CG ASP A 41 31.703 13.317 15.855 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.965 13.374 17.076 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.864 14.284 15.085 1.00 0.00 O ATOM 0 H ASP A 41 28.756 10.447 14.849 1.00 0.00 H new ATOM 0 HA ASP A 41 30.486 11.130 17.123 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.951 11.301 15.181 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.746 12.212 14.293 1.00 0.00 H new ATOM 595 N LYS A 42 29.013 13.015 17.674 1.00 0.00 N ATOM 596 CA LYS A 42 28.017 13.977 18.128 1.00 0.00 C ATOM 597 C LYS A 42 28.286 15.365 17.557 1.00 0.00 C ATOM 598 O LYS A 42 27.376 16.186 17.441 1.00 0.00 O ATOM 599 CB LYS A 42 28.014 14.046 19.655 1.00 0.00 C ATOM 600 CG LYS A 42 27.878 12.688 20.321 1.00 0.00 C ATOM 601 CD LYS A 42 27.905 12.804 21.834 1.00 0.00 C ATOM 602 CE LYS A 42 27.924 11.435 22.488 1.00 0.00 C ATOM 603 NZ LYS A 42 27.896 11.524 23.971 1.00 0.00 N ATOM 0 H LYS A 42 29.721 12.787 18.372 1.00 0.00 H new ATOM 0 HA LYS A 42 27.043 13.642 17.773 1.00 0.00 H new ATOM 0 HB2 LYS A 42 28.938 14.516 19.992 1.00 0.00 H new ATOM 0 HB3 LYS A 42 27.194 14.686 19.981 1.00 0.00 H new ATOM 0 HG2 LYS A 42 26.945 12.220 20.008 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.688 12.037 19.991 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.784 13.370 22.143 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.032 13.361 22.175 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.066 10.857 22.144 1.00 0.00 H new ATOM 0 HE3 LYS A 42 28.818 10.896 22.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.910 10.566 24.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 28.728 12.053 24.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.030 12.015 24.273 1.00 0.00 H new ATOM 617 N ALA A 43 29.535 15.624 17.196 1.00 0.00 N ATOM 618 CA ALA A 43 29.912 16.924 16.663 1.00 0.00 C ATOM 619 C ALA A 43 29.348 17.115 15.261 1.00 0.00 C ATOM 620 O ALA A 43 29.061 18.237 14.842 1.00 0.00 O ATOM 621 CB ALA A 43 31.425 17.084 16.663 1.00 0.00 C ATOM 0 H ALA A 43 30.301 14.954 17.262 1.00 0.00 H new ATOM 0 HA ALA A 43 29.488 17.695 17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.687 18.063 16.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.800 16.998 17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.873 16.306 16.045 1.00 0.00 H new ATOM 627 N ARG A 44 29.164 16.010 14.543 1.00 0.00 N ATOM 628 CA ARG A 44 28.605 16.061 13.198 1.00 0.00 C ATOM 629 C ARG A 44 27.102 16.318 13.252 1.00 0.00 C ATOM 630 O ARG A 44 26.496 16.722 12.259 1.00 0.00 O ATOM 631 CB ARG A 44 28.887 14.764 12.435 1.00 0.00 C ATOM 632 CG ARG A 44 30.361 14.398 12.377 1.00 0.00 C ATOM 633 CD ARG A 44 30.802 14.055 10.964 1.00 0.00 C ATOM 634 NE ARG A 44 30.832 15.236 10.101 1.00 0.00 N ATOM 635 CZ ARG A 44 30.930 15.192 8.774 1.00 0.00 C ATOM 636 NH1 ARG A 44 30.986 14.025 8.143 1.00 0.00 N ATOM 637 NH2 ARG A 44 30.972 16.321 8.077 1.00 0.00 N ATOM 0 H ARG A 44 29.394 15.072 14.870 1.00 0.00 H new ATOM 0 HA ARG A 44 29.086 16.883 12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.338 13.949 12.906 1.00 0.00 H new ATOM 0 HB3 ARG A 44 28.505 14.860 11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.957 15.230 12.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.551 13.549 13.033 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.793 13.601 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.124 13.314 10.542 1.00 0.00 H new ATOM 0 HE ARG A 44 30.774 16.153 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.954 13.155 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.061 13.998 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.929 17.219 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 44 31.047 16.290 7.060 1.00 0.00 H new ATOM 651 N ILE A 45 26.507 16.089 14.419 1.00 0.00 N ATOM 652 CA ILE A 45 25.088 16.357 14.620 1.00 0.00 C ATOM 653 C ILE A 45 24.816 17.853 14.480 1.00 0.00 C ATOM 654 O ILE A 45 23.807 18.266 13.905 1.00 0.00 O ATOM 655 CB ILE A 45 24.610 15.859 16.005 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.813 14.345 16.118 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.148 16.222 16.239 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.405 13.770 17.459 1.00 0.00 C ATOM 0 H ILE A 45 26.986 15.718 15.240 1.00 0.00 H new ATOM 0 HA ILE A 45 24.531 15.813 13.857 1.00 0.00 H new ATOM 0 HB ILE A 45 25.206 16.352 16.773 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.240 13.852 15.333 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.863 14.115 15.939 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.836 15.861 17.219 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.031 17.305 16.197 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.531 15.760 15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.578 12.694 17.461 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.995 14.234 18.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.347 13.967 17.633 1.00 0.00 H new ATOM 670 N ALA A 46 25.744 18.661 14.981 1.00 0.00 N ATOM 671 CA ALA A 46 25.648 20.105 14.847 1.00 0.00 C ATOM 672 C ALA A 46 25.713 20.501 13.376 1.00 0.00 C ATOM 673 O ALA A 46 24.997 21.398 12.933 1.00 0.00 O ATOM 674 CB ALA A 46 26.753 20.790 15.635 1.00 0.00 C ATOM 0 H ALA A 46 26.571 18.338 15.483 1.00 0.00 H new ATOM 0 HA ALA A 46 24.690 20.430 15.253 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.664 21.871 15.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.665 20.527 16.689 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.723 20.465 15.259 1.00 0.00 H new ATOM 680 N GLU A 47 26.562 19.805 12.621 1.00 0.00 N ATOM 681 CA GLU A 47 26.689 20.044 11.185 1.00 0.00 C ATOM 682 C GLU A 47 25.373 19.756 10.472 1.00 0.00 C ATOM 683 O GLU A 47 25.039 20.403 9.479 1.00 0.00 O ATOM 684 CB GLU A 47 27.793 19.174 10.584 1.00 0.00 C ATOM 685 CG GLU A 47 29.188 19.510 11.079 1.00 0.00 C ATOM 686 CD GLU A 47 30.247 18.646 10.430 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.583 18.894 9.250 1.00 0.00 O ATOM 688 OE2 GLU A 47 30.732 17.702 11.082 1.00 0.00 O ATOM 0 H GLU A 47 27.172 19.071 12.981 1.00 0.00 H new ATOM 0 HA GLU A 47 26.949 21.093 11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 27.581 18.129 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.770 19.276 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.402 20.559 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 47 29.229 19.381 12.161 1.00 0.00 H new ATOM 695 N ALA A 48 24.630 18.782 10.983 1.00 0.00 N ATOM 696 CA ALA A 48 23.329 18.447 10.426 1.00 0.00 C ATOM 697 C ALA A 48 22.372 19.626 10.564 1.00 0.00 C ATOM 698 O ALA A 48 21.701 20.003 9.603 1.00 0.00 O ATOM 699 CB ALA A 48 22.760 17.207 11.099 1.00 0.00 C ATOM 0 H ALA A 48 24.907 18.212 11.782 1.00 0.00 H new ATOM 0 HA ALA A 48 23.453 18.229 9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.786 16.973 10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.436 16.366 10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.649 17.392 12.167 1.00 0.00 H new ATOM 705 N GLU A 49 22.335 20.225 11.753 1.00 0.00 N ATOM 706 CA GLU A 49 21.499 21.402 11.986 1.00 0.00 C ATOM 707 C GLU A 49 21.949 22.571 11.117 1.00 0.00 C ATOM 708 O GLU A 49 21.130 23.376 10.674 1.00 0.00 O ATOM 709 CB GLU A 49 21.531 21.817 13.458 1.00 0.00 C ATOM 710 CG GLU A 49 20.926 20.792 14.397 1.00 0.00 C ATOM 711 CD GLU A 49 20.867 21.282 15.826 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.933 21.377 16.471 1.00 0.00 O ATOM 713 OE2 GLU A 49 19.757 21.564 16.321 1.00 0.00 O ATOM 0 H GLU A 49 22.870 19.918 12.565 1.00 0.00 H new ATOM 0 HA GLU A 49 20.477 21.134 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.565 21.999 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.996 22.760 13.571 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.920 20.544 14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.512 19.874 14.355 1.00 0.00 H new ATOM 720 N LYS A 50 23.252 22.662 10.879 1.00 0.00 N ATOM 721 CA LYS A 50 23.809 23.711 10.029 1.00 0.00 C ATOM 722 C LYS A 50 23.322 23.550 8.590 1.00 0.00 C ATOM 723 O LYS A 50 23.008 24.531 7.916 1.00 0.00 O ATOM 724 CB LYS A 50 25.340 23.671 10.065 1.00 0.00 C ATOM 725 CG LYS A 50 25.932 23.873 11.451 1.00 0.00 C ATOM 726 CD LYS A 50 27.435 23.638 11.447 1.00 0.00 C ATOM 727 CE LYS A 50 28.034 23.745 12.842 1.00 0.00 C ATOM 728 NZ LYS A 50 27.848 25.094 13.436 1.00 0.00 N ATOM 0 H LYS A 50 23.946 22.021 11.263 1.00 0.00 H new ATOM 0 HA LYS A 50 23.470 24.674 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.677 22.711 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.729 24.441 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.720 24.885 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.456 23.191 12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.646 22.650 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.914 24.365 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.574 22.999 13.490 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.098 23.515 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.373 25.154 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.204 25.816 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.837 25.258 13.616 1.00 0.00 H new ATOM 742 N ALA A 51 23.248 22.304 8.135 1.00 0.00 N ATOM 743 CA ALA A 51 22.809 22.004 6.776 1.00 0.00 C ATOM 744 C ALA A 51 21.292 22.117 6.646 1.00 0.00 C ATOM 745 O ALA A 51 20.763 22.257 5.544 1.00 0.00 O ATOM 746 CB ALA A 51 23.272 20.612 6.367 1.00 0.00 C ATOM 0 H ALA A 51 23.487 21.482 8.690 1.00 0.00 H new ATOM 0 HA ALA A 51 23.259 22.738 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.938 20.401 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.360 20.564 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.850 19.873 7.048 1.00 0.00 H new ATOM 752 N GLY A 52 20.600 22.050 7.776 1.00 0.00 N ATOM 753 CA GLY A 52 19.156 22.166 7.766 1.00 0.00 C ATOM 754 C GLY A 52 18.465 20.827 7.915 1.00 0.00 C ATOM 755 O GLY A 52 17.317 20.660 7.501 1.00 0.00 O ATOM 0 H GLY A 52 21.013 21.917 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.842 22.825 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.839 22.633 6.834 1.00 0.00 H new ATOM 759 N VAL A 53 19.164 19.871 8.506 1.00 0.00 N ATOM 760 CA VAL A 53 18.615 18.543 8.732 1.00 0.00 C ATOM 761 C VAL A 53 17.819 18.514 10.032 1.00 0.00 C ATOM 762 O VAL A 53 18.377 18.694 11.115 1.00 0.00 O ATOM 763 CB VAL A 53 19.736 17.481 8.784 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.166 16.098 9.050 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.537 17.489 7.491 1.00 0.00 C ATOM 0 H VAL A 53 20.120 19.992 8.840 1.00 0.00 H new ATOM 0 HA VAL A 53 17.953 18.308 7.899 1.00 0.00 H new ATOM 0 HB VAL A 53 20.403 17.734 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.977 15.370 9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.641 16.098 10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.470 15.832 8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.322 16.735 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.877 17.266 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.987 18.472 7.348 1.00 0.00 H new ATOM 775 N LYS A 54 16.514 18.303 9.919 1.00 0.00 N ATOM 776 CA LYS A 54 15.644 18.279 11.087 1.00 0.00 C ATOM 777 C LYS A 54 15.367 16.850 11.540 1.00 0.00 C ATOM 778 O LYS A 54 14.995 16.615 12.689 1.00 0.00 O ATOM 779 CB LYS A 54 14.310 18.973 10.799 1.00 0.00 C ATOM 780 CG LYS A 54 14.423 20.442 10.430 1.00 0.00 C ATOM 781 CD LYS A 54 13.054 21.107 10.445 1.00 0.00 C ATOM 782 CE LYS A 54 13.106 22.540 9.942 1.00 0.00 C ATOM 783 NZ LYS A 54 13.434 22.613 8.495 1.00 0.00 N ATOM 0 H LYS A 54 16.036 18.146 9.032 1.00 0.00 H new ATOM 0 HA LYS A 54 16.166 18.814 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.810 18.446 9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.672 18.882 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.086 20.948 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.870 20.540 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.366 20.531 9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.657 21.094 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.144 23.021 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.851 23.096 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.278 23.582 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.430 22.351 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.824 21.957 7.967 1.00 0.00 H new ATOM 797 N SER A 55 15.525 15.897 10.636 1.00 0.00 N ATOM 798 CA SER A 55 15.232 14.506 10.950 1.00 0.00 C ATOM 799 C SER A 55 16.178 13.570 10.207 1.00 0.00 C ATOM 800 O SER A 55 16.837 13.971 9.251 1.00 0.00 O ATOM 801 CB SER A 55 13.781 14.186 10.581 1.00 0.00 C ATOM 802 OG SER A 55 12.886 15.102 11.189 1.00 0.00 O ATOM 0 H SER A 55 15.853 16.058 9.684 1.00 0.00 H new ATOM 0 HA SER A 55 15.375 14.356 12.020 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.662 14.221 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.538 13.171 10.896 1.00 0.00 H new ATOM 0 HG SER A 55 12.130 14.613 11.576 1.00 0.00 H new ATOM 808 N VAL A 56 16.250 12.330 10.660 1.00 0.00 N ATOM 809 CA VAL A 56 17.048 11.319 9.988 1.00 0.00 C ATOM 810 C VAL A 56 16.162 10.166 9.524 1.00 0.00 C ATOM 811 O VAL A 56 15.185 9.815 10.198 1.00 0.00 O ATOM 812 CB VAL A 56 18.182 10.773 10.890 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.185 11.871 11.209 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.624 10.171 12.172 1.00 0.00 C ATOM 0 H VAL A 56 15.764 11.999 11.493 1.00 0.00 H new ATOM 0 HA VAL A 56 17.511 11.799 9.125 1.00 0.00 H new ATOM 0 HB VAL A 56 18.694 9.982 10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.975 11.469 11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.620 12.247 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.680 12.685 11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.444 9.796 12.785 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.078 10.935 12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.951 9.350 11.925 1.00 0.00 H new ATOM 824 N PRO A 57 16.479 9.571 8.365 1.00 0.00 N ATOM 825 CA PRO A 57 17.608 9.988 7.533 1.00 0.00 C ATOM 826 C PRO A 57 17.254 11.125 6.571 1.00 0.00 C ATOM 827 O PRO A 57 16.090 11.319 6.218 1.00 0.00 O ATOM 828 CB PRO A 57 17.935 8.714 6.760 1.00 0.00 C ATOM 829 CG PRO A 57 16.629 8.007 6.613 1.00 0.00 C ATOM 830 CD PRO A 57 15.762 8.427 7.777 1.00 0.00 C ATOM 0 HA PRO A 57 18.433 10.383 8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.372 8.943 5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.658 8.100 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.155 8.267 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.774 6.927 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.762 8.710 7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.643 7.618 8.498 1.00 0.00 H new ATOM 838 N ALA A 58 18.266 11.869 6.147 1.00 0.00 N ATOM 839 CA ALA A 58 18.068 12.985 5.235 1.00 0.00 C ATOM 840 C ALA A 58 19.146 13.003 4.160 1.00 0.00 C ATOM 841 O ALA A 58 20.336 12.896 4.459 1.00 0.00 O ATOM 842 CB ALA A 58 18.066 14.302 5.997 1.00 0.00 C ATOM 0 H ALA A 58 19.237 11.718 6.422 1.00 0.00 H new ATOM 0 HA ALA A 58 17.100 12.858 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.917 15.126 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.260 14.297 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.020 14.428 6.508 1.00 0.00 H new ATOM 848 N LEU A 59 18.724 13.128 2.912 1.00 0.00 N ATOM 849 CA LEU A 59 19.646 13.160 1.789 1.00 0.00 C ATOM 850 C LEU A 59 19.795 14.598 1.295 1.00 0.00 C ATOM 851 O LEU A 59 18.877 15.157 0.696 1.00 0.00 O ATOM 852 CB LEU A 59 19.127 12.248 0.670 1.00 0.00 C ATOM 853 CG LEU A 59 20.196 11.601 -0.220 1.00 0.00 C ATOM 854 CD1 LEU A 59 19.559 10.584 -1.152 1.00 0.00 C ATOM 855 CD2 LEU A 59 20.948 12.648 -1.023 1.00 0.00 C ATOM 0 H LEU A 59 17.741 13.209 2.651 1.00 0.00 H new ATOM 0 HA LEU A 59 20.625 12.797 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.530 11.456 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.458 12.829 0.036 1.00 0.00 H new ATOM 0 HG LEU A 59 20.911 11.092 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.328 10.132 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 59 19.068 9.809 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.823 11.081 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.699 12.160 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 59 20.248 13.191 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 21.437 13.346 -0.343 1.00 0.00 H new ATOM 867 N VAL A 60 20.943 15.196 1.567 1.00 0.00 N ATOM 868 CA VAL A 60 21.190 16.585 1.210 1.00 0.00 C ATOM 869 C VAL A 60 21.797 16.697 -0.187 1.00 0.00 C ATOM 870 O VAL A 60 22.959 16.355 -0.399 1.00 0.00 O ATOM 871 CB VAL A 60 22.128 17.266 2.231 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.342 18.733 1.884 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.574 17.129 3.640 1.00 0.00 C ATOM 0 H VAL A 60 21.724 14.738 2.037 1.00 0.00 H new ATOM 0 HA VAL A 60 20.226 17.093 1.220 1.00 0.00 H new ATOM 0 HB VAL A 60 23.094 16.763 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 60 23.006 19.188 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.790 18.811 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.384 19.252 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.249 17.615 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.593 17.601 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.483 16.073 3.894 1.00 0.00 H new ATOM 883 N ILE A 61 21.001 17.173 -1.133 1.00 0.00 N ATOM 884 CA ILE A 61 21.457 17.361 -2.502 1.00 0.00 C ATOM 885 C ILE A 61 21.718 18.840 -2.774 1.00 0.00 C ATOM 886 O ILE A 61 20.779 19.635 -2.875 1.00 0.00 O ATOM 887 CB ILE A 61 20.426 16.831 -3.524 1.00 0.00 C ATOM 888 CG1 ILE A 61 20.143 15.347 -3.278 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.924 17.052 -4.947 1.00 0.00 C ATOM 890 CD1 ILE A 61 19.094 14.761 -4.201 1.00 0.00 C ATOM 0 H ILE A 61 20.029 17.438 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 61 22.381 16.794 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 61 19.496 17.385 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.070 14.786 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.819 15.215 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.186 16.673 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.076 18.118 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.867 16.524 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.950 13.707 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.153 15.295 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.424 14.859 -5.235 1.00 0.00 H new ATOM 902 N ASP A 62 22.998 19.203 -2.863 1.00 0.00 N ATOM 903 CA ASP A 62 23.414 20.585 -3.143 1.00 0.00 C ATOM 904 C ASP A 62 22.851 21.563 -2.115 1.00 0.00 C ATOM 905 O ASP A 62 22.610 22.730 -2.424 1.00 0.00 O ATOM 906 CB ASP A 62 22.982 21.027 -4.548 1.00 0.00 C ATOM 907 CG ASP A 62 23.726 20.317 -5.656 1.00 0.00 C ATOM 908 OD1 ASP A 62 24.977 20.336 -5.651 1.00 0.00 O ATOM 909 OD2 ASP A 62 23.061 19.748 -6.551 1.00 0.00 O ATOM 0 H ASP A 62 23.775 18.553 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 62 24.502 20.598 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 62 21.913 20.847 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.137 22.101 -4.647 1.00 0.00 H new ATOM 914 N GLY A 63 22.639 21.088 -0.897 1.00 0.00 N ATOM 915 CA GLY A 63 22.134 21.949 0.154 1.00 0.00 C ATOM 916 C GLY A 63 20.681 21.670 0.491 1.00 0.00 C ATOM 917 O GLY A 63 20.204 22.041 1.561 1.00 0.00 O ATOM 0 H GLY A 63 22.807 20.122 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.742 21.818 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.238 22.990 -0.153 1.00 0.00 H new ATOM 921 N ALA A 64 19.977 21.012 -0.418 1.00 0.00 N ATOM 922 CA ALA A 64 18.577 20.677 -0.197 1.00 0.00 C ATOM 923 C ALA A 64 18.457 19.344 0.529 1.00 0.00 C ATOM 924 O ALA A 64 18.777 18.295 -0.026 1.00 0.00 O ATOM 925 CB ALA A 64 17.822 20.636 -1.516 1.00 0.00 C ATOM 0 H ALA A 64 20.351 20.700 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 64 18.132 21.452 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.778 20.384 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.879 21.612 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.267 19.883 -2.166 1.00 0.00 H new ATOM 931 N ALA A 65 18.000 19.393 1.771 1.00 0.00 N ATOM 932 CA ALA A 65 17.885 18.197 2.589 1.00 0.00 C ATOM 933 C ALA A 65 16.553 17.498 2.351 1.00 0.00 C ATOM 934 O ALA A 65 15.499 17.985 2.758 1.00 0.00 O ATOM 935 CB ALA A 65 18.046 18.541 4.063 1.00 0.00 C ATOM 0 H ALA A 65 17.702 20.251 2.235 1.00 0.00 H new ATOM 0 HA ALA A 65 18.684 17.514 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.957 17.634 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.026 18.989 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.270 19.247 4.359 1.00 0.00 H new ATOM 941 N PHE A 66 16.604 16.367 1.666 1.00 0.00 N ATOM 942 CA PHE A 66 15.418 15.558 1.443 1.00 0.00 C ATOM 943 C PHE A 66 15.361 14.424 2.456 1.00 0.00 C ATOM 944 O PHE A 66 16.087 13.437 2.341 1.00 0.00 O ATOM 945 CB PHE A 66 15.397 14.994 0.020 1.00 0.00 C ATOM 946 CG PHE A 66 15.312 16.046 -1.049 1.00 0.00 C ATOM 947 CD1 PHE A 66 14.135 16.748 -1.255 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.408 16.331 -1.850 1.00 0.00 C ATOM 949 CE1 PHE A 66 14.053 17.716 -2.237 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.329 17.298 -2.835 1.00 0.00 C ATOM 951 CZ PHE A 66 15.150 17.990 -3.028 1.00 0.00 C ATOM 0 H PHE A 66 17.457 15.988 1.254 1.00 0.00 H new ATOM 0 HA PHE A 66 14.543 16.195 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.297 14.400 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.548 14.318 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.272 16.536 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.332 15.792 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.131 18.258 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.189 17.512 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.086 18.745 -3.797 1.00 0.00 H new ATOM 961 N HIS A 67 14.523 14.589 3.466 1.00 0.00 N ATOM 962 CA HIS A 67 14.355 13.579 4.499 1.00 0.00 C ATOM 963 C HIS A 67 13.653 12.359 3.914 1.00 0.00 C ATOM 964 O HIS A 67 12.616 12.486 3.266 1.00 0.00 O ATOM 965 CB HIS A 67 13.543 14.143 5.674 1.00 0.00 C ATOM 966 CG HIS A 67 14.154 15.359 6.313 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.913 16.651 5.896 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.000 15.461 7.367 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.603 17.478 6.690 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.281 16.806 7.602 1.00 0.00 N ATOM 0 H HIS A 67 13.944 15.419 3.593 1.00 0.00 H new ATOM 0 HA HIS A 67 15.337 13.285 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.542 14.394 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.430 13.366 6.430 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.314 16.928 5.118 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.394 14.631 7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.605 18.554 6.597 1.00 0.00 H new ATOM 978 N ILE A 68 14.224 11.188 4.128 1.00 0.00 N ATOM 979 CA ILE A 68 13.677 9.966 3.559 1.00 0.00 C ATOM 980 C ILE A 68 13.048 9.111 4.651 1.00 0.00 C ATOM 981 O ILE A 68 13.745 8.372 5.343 1.00 0.00 O ATOM 982 CB ILE A 68 14.760 9.147 2.823 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.487 10.024 1.798 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.133 7.941 2.139 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.616 9.315 1.081 1.00 0.00 C ATOM 0 H ILE A 68 15.065 11.055 4.690 1.00 0.00 H new ATOM 0 HA ILE A 68 12.915 10.255 2.835 1.00 0.00 H new ATOM 0 HB ILE A 68 15.487 8.794 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.767 10.379 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.885 10.904 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.907 7.372 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.653 7.308 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.389 8.278 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.083 9.999 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.358 8.984 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.222 8.451 0.546 1.00 0.00 H new ATOM 997 N ASN A 69 11.729 9.233 4.791 1.00 0.00 N ATOM 998 CA ASN A 69 10.971 8.552 5.845 1.00 0.00 C ATOM 999 C ASN A 69 11.298 9.131 7.213 1.00 0.00 C ATOM 1000 O ASN A 69 12.430 9.056 7.686 1.00 0.00 O ATOM 1001 CB ASN A 69 11.208 7.036 5.838 1.00 0.00 C ATOM 1002 CG ASN A 69 10.357 6.316 4.812 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.253 6.753 4.490 1.00 0.00 O ATOM 1004 ND2 ASN A 69 10.861 5.207 4.296 1.00 0.00 N ATOM 0 H ASN A 69 11.152 9.808 4.176 1.00 0.00 H new ATOM 0 HA ASN A 69 9.915 8.722 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.260 6.838 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.994 6.634 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.330 4.680 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.781 4.879 4.591 1.00 0.00 H new ATOM 1011 N PHE A 70 10.290 9.716 7.843 1.00 0.00 N ATOM 1012 CA PHE A 70 10.455 10.308 9.160 1.00 0.00 C ATOM 1013 C PHE A 70 10.694 9.221 10.204 1.00 0.00 C ATOM 1014 O PHE A 70 9.754 8.599 10.698 1.00 0.00 O ATOM 1015 CB PHE A 70 9.221 11.143 9.524 1.00 0.00 C ATOM 1016 CG PHE A 70 9.347 11.885 10.827 1.00 0.00 C ATOM 1017 CD1 PHE A 70 9.993 13.108 10.881 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.813 11.361 11.995 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.107 13.794 12.075 1.00 0.00 C ATOM 1020 CE2 PHE A 70 8.926 12.043 13.191 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.573 13.261 13.230 1.00 0.00 C ATOM 0 H PHE A 70 9.347 9.793 7.461 1.00 0.00 H new ATOM 0 HA PHE A 70 11.325 10.965 9.143 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.032 11.861 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.352 10.486 9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.413 13.531 9.980 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.303 10.409 11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.614 14.747 12.104 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.508 11.623 14.094 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.661 13.797 14.164 1.00 0.00 H new ATOM 1031 N GLY A 71 11.959 8.969 10.498 1.00 0.00 N ATOM 1032 CA GLY A 71 12.301 8.006 11.518 1.00 0.00 C ATOM 1033 C GLY A 71 12.469 8.661 12.869 1.00 0.00 C ATOM 1034 O GLY A 71 11.695 8.408 13.794 1.00 0.00 O ATOM 0 H GLY A 71 12.756 9.416 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.523 7.245 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.224 7.497 11.243 1.00 0.00 H new ATOM 1038 N ALA A 72 13.476 9.515 12.983 1.00 0.00 N ATOM 1039 CA ALA A 72 13.736 10.222 14.228 1.00 0.00 C ATOM 1040 C ALA A 72 14.126 11.666 13.954 1.00 0.00 C ATOM 1041 O ALA A 72 14.884 11.944 13.024 1.00 0.00 O ATOM 1042 CB ALA A 72 14.831 9.519 15.017 1.00 0.00 C ATOM 0 H ALA A 72 14.126 9.735 12.228 1.00 0.00 H new ATOM 0 HA ALA A 72 12.822 10.220 14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.014 10.059 15.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.518 8.500 15.246 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.746 9.493 14.426 1.00 0.00 H new ATOM 1048 N GLY A 73 13.593 12.583 14.749 1.00 0.00 N ATOM 1049 CA GLY A 73 13.973 13.974 14.628 1.00 0.00 C ATOM 1050 C GLY A 73 15.288 14.251 15.324 1.00 0.00 C ATOM 1051 O GLY A 73 15.615 13.602 16.317 1.00 0.00 O ATOM 0 H GLY A 73 12.904 12.388 15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.055 14.240 13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.193 14.604 15.056 1.00 0.00 H new ATOM 1055 N ILE A 74 16.043 15.215 14.813 1.00 0.00 N ATOM 1056 CA ILE A 74 17.346 15.540 15.379 1.00 0.00 C ATOM 1057 C ILE A 74 17.183 16.187 16.753 1.00 0.00 C ATOM 1058 O ILE A 74 18.043 16.061 17.625 1.00 0.00 O ATOM 1059 CB ILE A 74 18.160 16.465 14.442 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.602 16.591 14.936 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.513 17.841 14.332 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.502 17.353 13.989 1.00 0.00 C ATOM 0 H ILE A 74 15.777 15.784 14.010 1.00 0.00 H new ATOM 0 HA ILE A 74 17.901 14.608 15.489 1.00 0.00 H new ATOM 0 HB ILE A 74 18.169 16.016 13.449 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.603 17.090 15.905 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.013 15.593 15.091 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.106 18.470 13.668 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.505 17.738 13.930 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.465 18.300 15.319 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.509 17.403 14.404 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.532 16.843 13.026 1.00 0.00 H new ATOM 0 HD13 ILE A 74 20.115 18.363 13.853 1.00 0.00 H new ATOM 1074 N ASP A 75 16.053 16.853 16.943 1.00 0.00 N ATOM 1075 CA ASP A 75 15.721 17.470 18.222 1.00 0.00 C ATOM 1076 C ASP A 75 15.463 16.391 19.269 1.00 0.00 C ATOM 1077 O ASP A 75 15.786 16.550 20.447 1.00 0.00 O ATOM 1078 CB ASP A 75 14.487 18.361 18.056 1.00 0.00 C ATOM 1079 CG ASP A 75 14.063 19.033 19.344 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.663 20.066 19.705 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.110 18.539 19.991 1.00 0.00 O ATOM 0 H ASP A 75 15.344 16.981 16.221 1.00 0.00 H new ATOM 0 HA ASP A 75 16.557 18.084 18.557 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.695 19.124 17.306 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.660 17.760 17.677 1.00 0.00 H new ATOM 1086 N ASP A 76 14.910 15.274 18.810 1.00 0.00 N ATOM 1087 CA ASP A 76 14.598 14.140 19.675 1.00 0.00 C ATOM 1088 C ASP A 76 15.868 13.403 20.080 1.00 0.00 C ATOM 1089 O ASP A 76 15.873 12.635 21.042 1.00 0.00 O ATOM 1090 CB ASP A 76 13.658 13.166 18.957 1.00 0.00 C ATOM 1091 CG ASP A 76 12.320 13.783 18.602 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.295 14.755 17.818 1.00 0.00 O ATOM 1093 OD2 ASP A 76 11.284 13.277 19.084 1.00 0.00 O ATOM 0 H ASP A 76 14.665 15.128 17.831 1.00 0.00 H new ATOM 0 HA ASP A 76 14.110 14.526 20.570 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.140 12.810 18.047 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.493 12.295 19.592 1.00 0.00 H new ATOM 1098 N LEU A 77 16.942 13.636 19.337 1.00 0.00 N ATOM 1099 CA LEU A 77 18.213 12.971 19.596 1.00 0.00 C ATOM 1100 C LEU A 77 18.953 13.643 20.746 1.00 0.00 C ATOM 1101 O LEU A 77 19.794 13.027 21.402 1.00 0.00 O ATOM 1102 CB LEU A 77 19.090 12.981 18.340 1.00 0.00 C ATOM 1103 CG LEU A 77 18.495 12.274 17.119 1.00 0.00 C ATOM 1104 CD1 LEU A 77 19.435 12.387 15.928 1.00 0.00 C ATOM 1105 CD2 LEU A 77 18.206 10.812 17.433 1.00 0.00 C ATOM 0 H LEU A 77 16.958 14.282 18.548 1.00 0.00 H new ATOM 0 HA LEU A 77 18.000 11.939 19.873 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.301 14.016 18.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 20.045 12.513 18.580 1.00 0.00 H new ATOM 0 HG LEU A 77 17.554 12.762 16.865 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.997 11.879 15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.592 13.438 15.687 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.391 11.925 16.174 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.784 10.327 16.553 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.132 10.310 17.714 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.495 10.750 18.257 1.00 0.00 H new ATOM 1117 N LYS A 78 18.634 14.907 20.995 1.00 0.00 N ATOM 1118 CA LYS A 78 19.302 15.665 22.042 1.00 0.00 C ATOM 1119 C LYS A 78 18.690 15.360 23.405 1.00 0.00 C ATOM 1120 O LYS A 78 17.587 14.816 23.493 1.00 0.00 O ATOM 1121 CB LYS A 78 19.234 17.164 21.746 1.00 0.00 C ATOM 1122 CG LYS A 78 19.936 17.553 20.455 1.00 0.00 C ATOM 1123 CD LYS A 78 20.030 19.061 20.299 1.00 0.00 C ATOM 1124 CE LYS A 78 20.737 19.439 19.009 1.00 0.00 C ATOM 1125 NZ LYS A 78 20.958 20.904 18.903 1.00 0.00 N ATOM 0 H LYS A 78 17.918 15.427 20.487 1.00 0.00 H new ATOM 0 HA LYS A 78 20.350 15.365 22.064 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.189 17.469 21.690 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.682 17.712 22.575 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.937 17.123 20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.397 17.132 19.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.029 19.493 20.308 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.567 19.484 21.148 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.696 18.923 18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.146 19.099 18.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.627 21.099 18.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.054 21.378 18.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 21.348 21.262 19.798 1.00 0.00 H new ATOM 1177 N ALA B 2 16.195 -2.451 -14.182 1.00 0.00 N ATOM 1178 CA ALA B 2 15.077 -1.523 -14.213 1.00 0.00 C ATOM 1179 C ALA B 2 13.886 -2.056 -13.424 1.00 0.00 C ATOM 1180 O ALA B 2 13.054 -2.798 -13.950 1.00 0.00 O ATOM 1181 CB ALA B 2 14.675 -1.221 -15.649 1.00 0.00 C ATOM 0 HA ALA B 2 15.401 -0.597 -13.738 1.00 0.00 H new ATOM 0 HB1 ALA B 2 13.836 -0.525 -15.653 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.519 -0.777 -16.177 1.00 0.00 H new ATOM 0 HB3 ALA B 2 14.382 -2.145 -16.147 1.00 0.00 H new ATOM 1187 N SER B 3 13.840 -1.711 -12.147 1.00 0.00 N ATOM 1188 CA SER B 3 12.682 -1.998 -11.317 1.00 0.00 C ATOM 1189 C SER B 3 11.720 -0.817 -11.377 1.00 0.00 C ATOM 1190 O SER B 3 12.082 0.253 -11.878 1.00 0.00 O ATOM 1191 CB SER B 3 13.119 -2.271 -9.876 1.00 0.00 C ATOM 1192 OG SER B 3 14.010 -3.374 -9.819 1.00 0.00 O ATOM 0 H SER B 3 14.596 -1.229 -11.661 1.00 0.00 H new ATOM 0 HA SER B 3 12.176 -2.889 -11.689 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.603 -1.385 -9.464 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.244 -2.472 -9.258 1.00 0.00 H new ATOM 0 HG SER B 3 14.278 -3.530 -8.889 1.00 0.00 H new ATOM 1198 N LYS B 4 10.506 -0.993 -10.880 1.00 0.00 N ATOM 1199 CA LYS B 4 9.504 0.056 -10.978 1.00 0.00 C ATOM 1200 C LYS B 4 9.435 0.887 -9.701 1.00 0.00 C ATOM 1201 O LYS B 4 9.377 0.352 -8.594 1.00 0.00 O ATOM 1202 CB LYS B 4 8.128 -0.532 -11.297 1.00 0.00 C ATOM 1203 CG LYS B 4 7.057 0.531 -11.486 1.00 0.00 C ATOM 1204 CD LYS B 4 5.735 -0.066 -11.933 1.00 0.00 C ATOM 1205 CE LYS B 4 4.723 1.020 -12.254 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.418 0.459 -12.688 1.00 0.00 N ATOM 0 H LYS B 4 10.193 -1.842 -10.410 1.00 0.00 H new ATOM 0 HA LYS B 4 9.803 0.714 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.198 -1.135 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.829 -1.202 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.913 1.071 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.394 1.258 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.894 -0.690 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.342 -0.713 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.573 1.646 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.120 1.663 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.758 1.236 -12.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.555 -0.118 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.026 -0.134 -11.929 1.00 0.00 H new ATOM 1220 N ALA B 5 9.452 2.197 -9.872 1.00 0.00 N ATOM 1221 CA ALA B 5 9.291 3.125 -8.768 1.00 0.00 C ATOM 1222 C ALA B 5 8.138 4.073 -9.065 1.00 0.00 C ATOM 1223 O ALA B 5 8.004 4.561 -10.184 1.00 0.00 O ATOM 1224 CB ALA B 5 10.578 3.899 -8.531 1.00 0.00 C ATOM 0 H ALA B 5 9.578 2.646 -10.779 1.00 0.00 H new ATOM 0 HA ALA B 5 9.064 2.566 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA B 5 10.439 4.590 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.383 3.203 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.836 4.459 -9.429 1.00 0.00 H new ATOM 1230 N ILE B 6 7.298 4.315 -8.074 1.00 0.00 N ATOM 1231 CA ILE B 6 6.137 5.171 -8.255 1.00 0.00 C ATOM 1232 C ILE B 6 6.208 6.373 -7.322 1.00 0.00 C ATOM 1233 O ILE B 6 6.362 6.226 -6.111 1.00 0.00 O ATOM 1234 CB ILE B 6 4.819 4.404 -8.005 1.00 0.00 C ATOM 1235 CG1 ILE B 6 4.752 3.155 -8.892 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.621 5.308 -8.271 1.00 0.00 C ATOM 1237 CD1 ILE B 6 3.528 2.297 -8.645 1.00 0.00 C ATOM 0 H ILE B 6 7.398 3.931 -7.134 1.00 0.00 H new ATOM 0 HA ILE B 6 6.146 5.512 -9.290 1.00 0.00 H new ATOM 0 HB ILE B 6 4.792 4.090 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.764 3.462 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.646 2.554 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.700 4.754 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.661 6.171 -7.606 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.644 5.647 -9.307 1.00 0.00 H new ATOM 0 HD11 ILE B 6 3.550 1.432 -9.309 1.00 0.00 H new ATOM 0 HD12 ILE B 6 3.524 1.959 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.629 2.881 -8.840 1.00 0.00 H new ATOM 1249 N PHE B 7 6.114 7.559 -7.895 1.00 0.00 N ATOM 1250 CA PHE B 7 6.122 8.783 -7.116 1.00 0.00 C ATOM 1251 C PHE B 7 4.702 9.306 -6.952 1.00 0.00 C ATOM 1252 O PHE B 7 4.036 9.636 -7.934 1.00 0.00 O ATOM 1253 CB PHE B 7 7.002 9.840 -7.794 1.00 0.00 C ATOM 1254 CG PHE B 7 7.142 11.112 -7.001 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.056 11.196 -5.962 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.361 12.219 -7.293 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.187 12.361 -5.230 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.490 13.386 -6.565 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.403 13.457 -5.532 1.00 0.00 C ATOM 0 H PHE B 7 6.031 7.700 -8.902 1.00 0.00 H new ATOM 0 HA PHE B 7 6.534 8.569 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE B 7 7.993 9.419 -7.966 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.582 10.076 -8.772 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.672 10.342 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE B 7 5.644 12.169 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.902 12.414 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE B 7 5.877 14.242 -6.804 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.504 14.368 -4.961 1.00 0.00 H new ATOM 1269 N TYR B 8 4.236 9.361 -5.716 1.00 0.00 N ATOM 1270 CA TYR B 8 2.908 9.878 -5.426 1.00 0.00 C ATOM 1271 C TYR B 8 3.002 11.330 -4.991 1.00 0.00 C ATOM 1272 O TYR B 8 3.793 11.668 -4.109 1.00 0.00 O ATOM 1273 CB TYR B 8 2.227 9.059 -4.326 1.00 0.00 C ATOM 1274 CG TYR B 8 1.885 7.639 -4.723 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.698 7.349 -5.385 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.741 6.588 -4.423 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.377 6.052 -5.738 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.425 5.288 -4.770 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.242 5.026 -5.427 1.00 0.00 C ATOM 1280 OH TYR B 8 0.924 3.732 -5.769 1.00 0.00 O ATOM 0 H TYR B 8 4.758 9.054 -4.895 1.00 0.00 H new ATOM 0 HA TYR B 8 2.310 9.804 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR B 8 2.880 9.032 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.312 9.569 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.015 8.150 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.670 6.790 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.548 5.844 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR B 8 3.101 4.482 -4.528 1.00 0.00 H new ATOM 0 HH TYR B 8 1.641 3.131 -5.478 1.00 0.00 H new ATOM 1290 N HIS B 9 2.210 12.189 -5.611 1.00 0.00 N ATOM 1291 CA HIS B 9 2.195 13.594 -5.240 1.00 0.00 C ATOM 1292 C HIS B 9 0.766 14.121 -5.176 1.00 0.00 C ATOM 1293 O HIS B 9 -0.180 13.418 -5.535 1.00 0.00 O ATOM 1294 CB HIS B 9 3.044 14.431 -6.208 1.00 0.00 C ATOM 1295 CG HIS B 9 2.483 14.562 -7.592 1.00 0.00 C ATOM 1296 ND1 HIS B 9 1.899 15.731 -8.017 1.00 0.00 N ATOM 1297 CD2 HIS B 9 2.472 13.667 -8.606 1.00 0.00 C ATOM 1298 CE1 HIS B 9 1.550 15.522 -9.275 1.00 0.00 C ATOM 1299 NE2 HIS B 9 1.878 14.286 -9.677 1.00 0.00 N ATOM 0 H HIS B 9 1.573 11.941 -6.368 1.00 0.00 H new ATOM 0 HA HIS B 9 2.635 13.684 -4.247 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.170 15.429 -5.787 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.037 13.986 -6.275 1.00 0.00 H new ATOM 0 HD2 HIS B 9 2.857 12.658 -8.578 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.062 16.255 -9.900 1.00 0.00 H new ATOM 0 HE2 HIS B 9 1.717 13.883 -10.600 1.00 0.00 H new ATOM 1307 N ALA B 10 0.615 15.354 -4.710 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.705 15.948 -4.544 1.00 0.00 C ATOM 1309 C ALA B 10 -0.706 17.411 -4.968 1.00 0.00 C ATOM 1310 O ALA B 10 -1.617 18.166 -4.625 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.157 15.815 -3.096 1.00 0.00 C ATOM 0 H ALA B 10 1.389 15.961 -4.441 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.405 15.413 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.145 16.262 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.202 14.760 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.449 16.328 -2.445 1.00 0.00 H new ATOM 1317 N GLY B 11 0.299 17.802 -5.745 1.00 0.00 N ATOM 1318 CA GLY B 11 0.418 19.187 -6.161 1.00 0.00 C ATOM 1319 C GLY B 11 0.880 20.085 -5.029 1.00 0.00 C ATOM 1320 O GLY B 11 0.145 20.960 -4.576 1.00 0.00 O ATOM 0 H GLY B 11 1.032 17.185 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.123 19.257 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.545 19.538 -6.532 1.00 0.00 H new ATOM 1324 N CYS B 12 2.096 19.853 -4.563 1.00 0.00 N ATOM 1325 CA CYS B 12 2.658 20.618 -3.459 1.00 0.00 C ATOM 1326 C CYS B 12 4.101 21.008 -3.779 1.00 0.00 C ATOM 1327 O CYS B 12 4.718 20.412 -4.667 1.00 0.00 O ATOM 1328 CB CYS B 12 2.606 19.781 -2.176 1.00 0.00 C ATOM 1329 SG CYS B 12 0.966 19.120 -1.795 1.00 0.00 S ATOM 0 H CYS B 12 2.718 19.135 -4.935 1.00 0.00 H new ATOM 0 HA CYS B 12 2.074 21.527 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.308 18.952 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.942 20.395 -1.340 1.00 0.00 H new ATOM 0 HG CYS B 12 1.022 18.427 -0.697 1.00 0.00 H new ATOM 1335 N PRO B 13 4.663 22.008 -3.073 1.00 0.00 N ATOM 1336 CA PRO B 13 6.056 22.435 -3.273 1.00 0.00 C ATOM 1337 C PRO B 13 7.044 21.287 -3.077 1.00 0.00 C ATOM 1338 O PRO B 13 8.081 21.221 -3.744 1.00 0.00 O ATOM 1339 CB PRO B 13 6.271 23.519 -2.204 1.00 0.00 C ATOM 1340 CG PRO B 13 5.142 23.360 -1.243 1.00 0.00 C ATOM 1341 CD PRO B 13 3.992 22.814 -2.038 1.00 0.00 C ATOM 0 HA PRO B 13 6.226 22.792 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO B 13 7.232 23.393 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO B 13 6.271 24.514 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.412 22.683 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO B 13 4.882 24.315 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO B 13 3.326 22.209 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO B 13 3.388 23.610 -2.474 1.00 0.00 H new ATOM 1349 N VAL B 14 6.709 20.379 -2.165 1.00 0.00 N ATOM 1350 CA VAL B 14 7.524 19.196 -1.915 1.00 0.00 C ATOM 1351 C VAL B 14 7.596 18.318 -3.166 1.00 0.00 C ATOM 1352 O VAL B 14 8.646 17.759 -3.484 1.00 0.00 O ATOM 1353 CB VAL B 14 6.961 18.365 -0.739 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.835 17.151 -0.455 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.821 19.227 0.508 1.00 0.00 C ATOM 0 H VAL B 14 5.873 20.442 -1.584 1.00 0.00 H new ATOM 0 HA VAL B 14 8.525 19.539 -1.654 1.00 0.00 H new ATOM 0 HB VAL B 14 5.972 18.007 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.414 16.586 0.377 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.876 16.517 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.842 17.480 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL B 14 6.423 18.624 1.324 1.00 0.00 H new ATOM 0 HG22 VAL B 14 7.798 19.620 0.790 1.00 0.00 H new ATOM 0 HG23 VAL B 14 6.142 20.055 0.304 1.00 0.00 H new ATOM 1365 N CYS B 15 6.481 18.237 -3.885 1.00 0.00 N ATOM 1366 CA CYS B 15 6.391 17.405 -5.080 1.00 0.00 C ATOM 1367 C CYS B 15 7.360 17.893 -6.148 1.00 0.00 C ATOM 1368 O CYS B 15 8.142 17.117 -6.689 1.00 0.00 O ATOM 1369 CB CYS B 15 4.966 17.431 -5.630 1.00 0.00 C ATOM 1370 SG CYS B 15 3.695 17.127 -4.383 1.00 0.00 S ATOM 0 H CYS B 15 5.623 18.740 -3.659 1.00 0.00 H new ATOM 0 HA CYS B 15 6.655 16.383 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.783 18.401 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.877 16.681 -6.416 1.00 0.00 H new ATOM 0 HG CYS B 15 2.523 17.377 -4.888 1.00 0.00 H new ATOM 1376 N VAL B 16 7.309 19.192 -6.426 1.00 0.00 N ATOM 1377 CA VAL B 16 8.155 19.798 -7.448 1.00 0.00 C ATOM 1378 C VAL B 16 9.632 19.594 -7.123 1.00 0.00 C ATOM 1379 O VAL B 16 10.418 19.197 -7.983 1.00 0.00 O ATOM 1380 CB VAL B 16 7.868 21.310 -7.583 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.671 21.919 -8.723 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.379 21.556 -7.781 1.00 0.00 C ATOM 0 H VAL B 16 6.687 19.848 -5.955 1.00 0.00 H new ATOM 0 HA VAL B 16 7.924 19.307 -8.393 1.00 0.00 H new ATOM 0 HB VAL B 16 8.177 21.797 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.450 22.984 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.735 21.782 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.404 21.428 -9.659 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.196 22.627 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.044 21.051 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.829 21.167 -6.924 1.00 0.00 H new ATOM 1392 N SER B 17 9.988 19.844 -5.870 1.00 0.00 N ATOM 1393 CA SER B 17 11.368 19.715 -5.423 1.00 0.00 C ATOM 1394 C SER B 17 11.860 18.275 -5.577 1.00 0.00 C ATOM 1395 O SER B 17 12.928 18.026 -6.137 1.00 0.00 O ATOM 1396 CB SER B 17 11.479 20.160 -3.964 1.00 0.00 C ATOM 1397 OG SER B 17 10.906 21.446 -3.780 1.00 0.00 O ATOM 0 H SER B 17 9.337 20.139 -5.142 1.00 0.00 H new ATOM 0 HA SER B 17 11.997 20.353 -6.044 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.976 19.438 -3.321 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.527 20.178 -3.664 1.00 0.00 H new ATOM 0 HG SER B 17 9.932 21.363 -3.705 1.00 0.00 H new ATOM 1403 N ALA B 18 11.060 17.328 -5.100 1.00 0.00 N ATOM 1404 CA ALA B 18 11.431 15.922 -5.141 1.00 0.00 C ATOM 1405 C ALA B 18 11.480 15.400 -6.574 1.00 0.00 C ATOM 1406 O ALA B 18 12.317 14.562 -6.910 1.00 0.00 O ATOM 1407 CB ALA B 18 10.461 15.100 -4.310 1.00 0.00 C ATOM 0 H ALA B 18 10.149 17.511 -4.680 1.00 0.00 H new ATOM 0 HA ALA B 18 12.431 15.825 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.749 14.049 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.484 15.445 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.453 15.215 -4.708 1.00 0.00 H new ATOM 1413 N GLU B 19 10.591 15.906 -7.415 1.00 0.00 N ATOM 1414 CA GLU B 19 10.522 15.477 -8.806 1.00 0.00 C ATOM 1415 C GLU B 19 11.764 15.920 -9.576 1.00 0.00 C ATOM 1416 O GLU B 19 12.457 15.104 -10.181 1.00 0.00 O ATOM 1417 CB GLU B 19 9.263 16.040 -9.472 1.00 0.00 C ATOM 1418 CG GLU B 19 9.070 15.578 -10.908 1.00 0.00 C ATOM 1419 CD GLU B 19 7.870 16.222 -11.571 1.00 0.00 C ATOM 1420 OE1 GLU B 19 8.029 17.302 -12.178 1.00 0.00 O ATOM 1421 OE2 GLU B 19 6.762 15.648 -11.501 1.00 0.00 O ATOM 0 H GLU B 19 9.905 16.616 -7.159 1.00 0.00 H new ATOM 0 HA GLU B 19 10.478 14.388 -8.824 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.392 15.748 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.309 17.129 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU B 19 9.966 15.809 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU B 19 8.952 14.495 -10.924 1.00 0.00 H new ATOM 1428 N GLN B 20 12.062 17.210 -9.522 1.00 0.00 N ATOM 1429 CA GLN B 20 13.128 17.781 -10.338 1.00 0.00 C ATOM 1430 C GLN B 20 14.514 17.485 -9.762 1.00 0.00 C ATOM 1431 O GLN B 20 15.525 17.686 -10.435 1.00 0.00 O ATOM 1432 CB GLN B 20 12.921 19.287 -10.487 1.00 0.00 C ATOM 1433 CG GLN B 20 11.563 19.645 -11.070 1.00 0.00 C ATOM 1434 CD GLN B 20 11.365 21.136 -11.245 1.00 0.00 C ATOM 1435 OE1 GLN B 20 11.938 21.946 -10.516 1.00 0.00 O ATOM 1436 NE2 GLN B 20 10.541 21.511 -12.211 1.00 0.00 N ATOM 0 H GLN B 20 11.582 17.882 -8.923 1.00 0.00 H new ATOM 0 HA GLN B 20 13.081 17.311 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.028 19.761 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.704 19.694 -11.127 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.448 19.154 -12.036 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.781 19.255 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.085 20.809 -12.794 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.362 22.502 -12.372 1.00 0.00 H new ATOM 1445 N ALA B 21 14.562 17.018 -8.521 1.00 0.00 N ATOM 1446 CA ALA B 21 15.833 16.674 -7.895 1.00 0.00 C ATOM 1447 C ALA B 21 16.002 15.162 -7.763 1.00 0.00 C ATOM 1448 O ALA B 21 16.893 14.574 -8.371 1.00 0.00 O ATOM 1449 CB ALA B 21 15.955 17.341 -6.534 1.00 0.00 C ATOM 0 H ALA B 21 13.743 16.869 -7.932 1.00 0.00 H new ATOM 0 HA ALA B 21 16.630 17.043 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.910 17.073 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.901 18.423 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.142 17.006 -5.890 1.00 0.00 H new ATOM 1455 N VAL B 22 15.130 14.534 -6.984 1.00 0.00 N ATOM 1456 CA VAL B 22 15.269 13.117 -6.661 1.00 0.00 C ATOM 1457 C VAL B 22 14.918 12.231 -7.856 1.00 0.00 C ATOM 1458 O VAL B 22 15.657 11.299 -8.183 1.00 0.00 O ATOM 1459 CB VAL B 22 14.384 12.725 -5.456 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.603 11.268 -5.072 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.656 13.639 -4.267 1.00 0.00 C ATOM 0 H VAL B 22 14.317 14.984 -6.563 1.00 0.00 H new ATOM 0 HA VAL B 22 16.315 12.957 -6.401 1.00 0.00 H new ATOM 0 HB VAL B 22 13.341 12.846 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.969 11.017 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.349 10.627 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.648 11.116 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL B 22 14.022 13.345 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.703 13.556 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.437 14.670 -4.543 1.00 0.00 H new ATOM 1471 N ALA B 23 13.802 12.525 -8.512 1.00 0.00 N ATOM 1472 CA ALA B 23 13.356 11.717 -9.644 1.00 0.00 C ATOM 1473 C ALA B 23 14.298 11.875 -10.833 1.00 0.00 C ATOM 1474 O ALA B 23 14.498 10.940 -11.602 1.00 0.00 O ATOM 1475 CB ALA B 23 11.929 12.074 -10.034 1.00 0.00 C ATOM 0 H ALA B 23 13.192 13.310 -8.283 1.00 0.00 H new ATOM 0 HA ALA B 23 13.373 10.671 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.618 11.460 -10.879 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.265 11.892 -9.189 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.881 13.126 -10.313 1.00 0.00 H new ATOM 1481 N ASN B 24 14.883 13.060 -10.970 1.00 0.00 N ATOM 1482 CA ASN B 24 15.856 13.314 -12.028 1.00 0.00 C ATOM 1483 C ASN B 24 17.205 12.686 -11.694 1.00 0.00 C ATOM 1484 O ASN B 24 18.000 12.383 -12.586 1.00 0.00 O ATOM 1485 CB ASN B 24 16.022 14.818 -12.271 1.00 0.00 C ATOM 1486 CG ASN B 24 15.045 15.353 -13.303 1.00 0.00 C ATOM 1487 OD1 ASN B 24 13.925 15.751 -12.979 1.00 0.00 O ATOM 1488 ND2 ASN B 24 15.470 15.377 -14.556 1.00 0.00 N ATOM 0 H ASN B 24 14.701 13.859 -10.363 1.00 0.00 H new ATOM 0 HA ASN B 24 15.477 12.854 -12.941 1.00 0.00 H new ATOM 0 HB2 ASN B 24 15.881 15.352 -11.331 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.041 15.019 -12.602 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.863 15.734 -15.294 1.00 0.00 H new ATOM 0 HD22 ASN B 24 16.405 15.038 -14.784 1.00 0.00 H new ATOM 1495 N ALA B 25 17.461 12.493 -10.403 1.00 0.00 N ATOM 1496 CA ALA B 25 18.684 11.842 -9.960 1.00 0.00 C ATOM 1497 C ALA B 25 18.698 10.385 -10.403 1.00 0.00 C ATOM 1498 O ALA B 25 19.716 9.879 -10.876 1.00 0.00 O ATOM 1499 CB ALA B 25 18.832 11.941 -8.448 1.00 0.00 C ATOM 0 H ALA B 25 16.837 12.779 -9.648 1.00 0.00 H new ATOM 0 HA ALA B 25 19.530 12.354 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.754 11.447 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.866 12.990 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.982 11.457 -7.967 1.00 0.00 H new ATOM 1505 N ILE B 26 17.560 9.722 -10.265 1.00 0.00 N ATOM 1506 CA ILE B 26 17.424 8.344 -10.705 1.00 0.00 C ATOM 1507 C ILE B 26 17.231 8.299 -12.216 1.00 0.00 C ATOM 1508 O ILE B 26 16.233 8.791 -12.738 1.00 0.00 O ATOM 1509 CB ILE B 26 16.238 7.640 -10.012 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.403 7.700 -8.489 1.00 0.00 C ATOM 1511 CG2 ILE B 26 16.126 6.195 -10.483 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.245 7.096 -7.724 1.00 0.00 C ATOM 0 H ILE B 26 16.716 10.118 -9.851 1.00 0.00 H new ATOM 0 HA ILE B 26 18.338 7.816 -10.432 1.00 0.00 H new ATOM 0 HB ILE B 26 15.318 8.159 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.320 7.180 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.523 8.740 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE B 26 15.285 5.714 -9.984 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.968 6.175 -11.561 1.00 0.00 H new ATOM 0 HG23 ILE B 26 17.045 5.661 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.435 7.176 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.328 7.630 -7.971 1.00 0.00 H new ATOM 0 HD13 ILE B 26 15.137 6.046 -7.996 1.00 0.00 H new ATOM 1524 N ASP B 27 18.202 7.728 -12.915 1.00 0.00 N ATOM 1525 CA ASP B 27 18.163 7.664 -14.372 1.00 0.00 C ATOM 1526 C ASP B 27 16.973 6.840 -14.848 1.00 0.00 C ATOM 1527 O ASP B 27 16.772 5.710 -14.400 1.00 0.00 O ATOM 1528 CB ASP B 27 19.454 7.054 -14.927 1.00 0.00 C ATOM 1529 CG ASP B 27 20.692 7.810 -14.500 1.00 0.00 C ATOM 1530 OD1 ASP B 27 20.884 8.955 -14.956 1.00 0.00 O ATOM 1531 OD2 ASP B 27 21.484 7.258 -13.710 1.00 0.00 O ATOM 0 H ASP B 27 19.029 7.301 -12.497 1.00 0.00 H new ATOM 0 HA ASP B 27 18.062 8.685 -14.741 1.00 0.00 H new ATOM 0 HB2 ASP B 27 19.533 6.019 -14.594 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.403 7.036 -16.016 1.00 0.00 H new ATOM 1536 N PRO B 28 16.169 7.394 -15.771 1.00 0.00 N ATOM 1537 CA PRO B 28 15.024 6.688 -16.354 1.00 0.00 C ATOM 1538 C PRO B 28 15.464 5.470 -17.163 1.00 0.00 C ATOM 1539 O PRO B 28 14.677 4.561 -17.428 1.00 0.00 O ATOM 1540 CB PRO B 28 14.370 7.733 -17.269 1.00 0.00 C ATOM 1541 CG PRO B 28 14.918 9.045 -16.821 1.00 0.00 C ATOM 1542 CD PRO B 28 16.296 8.760 -16.301 1.00 0.00 C ATOM 0 HA PRO B 28 14.348 6.305 -15.589 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.608 7.544 -18.316 1.00 0.00 H new ATOM 0 HB3 PRO B 28 13.284 7.709 -17.180 1.00 0.00 H new ATOM 0 HG2 PRO B 28 14.951 9.756 -17.646 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.291 9.486 -16.046 1.00 0.00 H new ATOM 0 HD2 PRO B 28 17.046 8.820 -17.090 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.591 9.468 -15.527 1.00 0.00 H new ATOM 1550 N SER B 29 16.735 5.462 -17.544 1.00 0.00 N ATOM 1551 CA SER B 29 17.313 4.344 -18.272 1.00 0.00 C ATOM 1552 C SER B 29 17.922 3.344 -17.288 1.00 0.00 C ATOM 1553 O SER B 29 18.484 2.321 -17.677 1.00 0.00 O ATOM 1554 CB SER B 29 18.377 4.857 -19.249 1.00 0.00 C ATOM 1555 OG SER B 29 18.753 3.861 -20.185 1.00 0.00 O ATOM 0 H SER B 29 17.388 6.224 -17.358 1.00 0.00 H new ATOM 0 HA SER B 29 16.533 3.839 -18.841 1.00 0.00 H new ATOM 0 HB2 SER B 29 17.994 5.729 -19.779 1.00 0.00 H new ATOM 0 HB3 SER B 29 19.255 5.183 -18.692 1.00 0.00 H new ATOM 0 HG SER B 29 18.857 3.002 -19.725 1.00 0.00 H new ATOM 1561 N LYS B 30 17.809 3.654 -16.005 1.00 0.00 N ATOM 1562 CA LYS B 30 18.338 2.795 -14.961 1.00 0.00 C ATOM 1563 C LYS B 30 17.188 2.106 -14.240 1.00 0.00 C ATOM 1564 O LYS B 30 17.202 0.893 -14.038 1.00 0.00 O ATOM 1565 CB LYS B 30 19.166 3.622 -13.975 1.00 0.00 C ATOM 1566 CG LYS B 30 20.076 2.799 -13.080 1.00 0.00 C ATOM 1567 CD LYS B 30 20.813 3.685 -12.088 1.00 0.00 C ATOM 1568 CE LYS B 30 21.936 2.936 -11.388 1.00 0.00 C ATOM 1569 NZ LYS B 30 23.022 2.556 -12.332 1.00 0.00 N ATOM 0 H LYS B 30 17.353 4.499 -15.663 1.00 0.00 H new ATOM 0 HA LYS B 30 18.983 2.037 -15.406 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.773 4.333 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.490 4.204 -13.349 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.487 2.056 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.796 2.254 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.223 4.551 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS B 30 20.110 4.063 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS B 30 22.347 3.558 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS B 30 21.535 2.039 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.884 2.331 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.728 1.723 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.213 3.348 -12.978 1.00 0.00 H new ATOM 1583 N TYR B 31 16.190 2.894 -13.861 1.00 0.00 N ATOM 1584 CA TYR B 31 14.984 2.375 -13.233 1.00 0.00 C ATOM 1585 C TYR B 31 13.753 2.965 -13.908 1.00 0.00 C ATOM 1586 O TYR B 31 13.828 4.027 -14.526 1.00 0.00 O ATOM 1587 CB TYR B 31 14.959 2.703 -11.735 1.00 0.00 C ATOM 1588 CG TYR B 31 15.994 1.958 -10.918 1.00 0.00 C ATOM 1589 CD1 TYR B 31 17.262 2.486 -10.715 1.00 0.00 C ATOM 1590 CD2 TYR B 31 15.698 0.727 -10.344 1.00 0.00 C ATOM 1591 CE1 TYR B 31 18.206 1.809 -9.967 1.00 0.00 C ATOM 1592 CE2 TYR B 31 16.637 0.044 -9.595 1.00 0.00 C ATOM 1593 CZ TYR B 31 17.889 0.589 -9.410 1.00 0.00 C ATOM 1594 OH TYR B 31 18.828 -0.086 -8.663 1.00 0.00 O ATOM 0 H TYR B 31 16.194 3.907 -13.980 1.00 0.00 H new ATOM 0 HA TYR B 31 14.979 1.291 -13.348 1.00 0.00 H new ATOM 0 HB2 TYR B 31 15.114 3.774 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.969 2.475 -11.341 1.00 0.00 H new ATOM 0 HD1 TYR B 31 17.515 3.442 -11.149 1.00 0.00 H new ATOM 0 HD2 TYR B 31 14.717 0.297 -10.486 1.00 0.00 H new ATOM 0 HE1 TYR B 31 19.188 2.234 -9.819 1.00 0.00 H new ATOM 0 HE2 TYR B 31 16.391 -0.912 -9.157 1.00 0.00 H new ATOM 0 HH TYR B 31 18.446 -0.929 -8.341 1.00 0.00 H new ATOM 1604 N THR B 32 12.629 2.280 -13.791 1.00 0.00 N ATOM 1605 CA THR B 32 11.389 2.748 -14.381 1.00 0.00 C ATOM 1606 C THR B 32 10.556 3.489 -13.340 1.00 0.00 C ATOM 1607 O THR B 32 9.895 2.874 -12.503 1.00 0.00 O ATOM 1608 CB THR B 32 10.575 1.578 -14.967 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.403 0.810 -15.854 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.354 2.085 -15.721 1.00 0.00 C ATOM 0 H THR B 32 12.550 1.395 -13.291 1.00 0.00 H new ATOM 0 HA THR B 32 11.640 3.431 -15.193 1.00 0.00 H new ATOM 0 HB THR B 32 10.235 0.951 -14.143 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.884 0.066 -16.224 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.798 1.239 -16.124 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.715 2.649 -15.041 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.674 2.731 -16.538 1.00 0.00 H new ATOM 1618 N VAL B 33 10.618 4.810 -13.378 1.00 0.00 N ATOM 1619 CA VAL B 33 9.910 5.636 -12.413 1.00 0.00 C ATOM 1620 C VAL B 33 8.677 6.272 -13.044 1.00 0.00 C ATOM 1621 O VAL B 33 8.768 6.925 -14.085 1.00 0.00 O ATOM 1622 CB VAL B 33 10.822 6.747 -11.845 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.092 7.565 -10.788 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.100 6.152 -11.274 1.00 0.00 C ATOM 0 H VAL B 33 11.153 5.335 -14.069 1.00 0.00 H new ATOM 0 HA VAL B 33 9.602 4.983 -11.597 1.00 0.00 H new ATOM 0 HB VAL B 33 11.089 7.415 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.756 8.340 -10.405 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.211 8.029 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.786 6.913 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.728 6.950 -10.879 1.00 0.00 H new ATOM 0 HG22 VAL B 33 11.851 5.456 -10.473 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.638 5.622 -12.060 1.00 0.00 H new ATOM 1634 N GLU B 34 7.528 6.063 -12.417 1.00 0.00 N ATOM 1635 CA GLU B 34 6.289 6.677 -12.866 1.00 0.00 C ATOM 1636 C GLU B 34 5.743 7.596 -11.782 1.00 0.00 C ATOM 1637 O GLU B 34 5.868 7.310 -10.591 1.00 0.00 O ATOM 1638 CB GLU B 34 5.249 5.616 -13.235 1.00 0.00 C ATOM 1639 CG GLU B 34 5.661 4.744 -14.411 1.00 0.00 C ATOM 1640 CD GLU B 34 4.491 4.000 -15.020 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.822 4.574 -15.908 1.00 0.00 O ATOM 1642 OE2 GLU B 34 4.237 2.844 -14.624 1.00 0.00 O ATOM 0 H GLU B 34 7.429 5.470 -11.593 1.00 0.00 H new ATOM 0 HA GLU B 34 6.502 7.264 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.067 4.981 -12.368 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.307 6.110 -13.472 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.129 5.366 -15.174 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.412 4.026 -14.081 1.00 0.00 H new ATOM 1649 N ILE B 35 5.144 8.699 -12.199 1.00 0.00 N ATOM 1650 CA ILE B 35 4.652 9.704 -11.268 1.00 0.00 C ATOM 1651 C ILE B 35 3.130 9.804 -11.346 1.00 0.00 C ATOM 1652 O ILE B 35 2.567 9.974 -12.431 1.00 0.00 O ATOM 1653 CB ILE B 35 5.286 11.082 -11.560 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.814 10.970 -11.545 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.820 12.113 -10.543 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.526 12.251 -11.922 1.00 0.00 C ATOM 0 H ILE B 35 4.986 8.923 -13.181 1.00 0.00 H new ATOM 0 HA ILE B 35 4.936 9.398 -10.261 1.00 0.00 H new ATOM 0 HB ILE B 35 4.966 11.410 -12.549 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.137 10.666 -10.549 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.118 10.181 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.278 13.077 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.735 12.207 -10.591 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.113 11.795 -9.542 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.604 12.092 -11.888 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.234 12.546 -12.930 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.254 13.039 -11.220 1.00 0.00 H new ATOM 1668 N VAL B 36 2.470 9.692 -10.198 1.00 0.00 N ATOM 1669 CA VAL B 36 1.012 9.682 -10.144 1.00 0.00 C ATOM 1670 C VAL B 36 0.488 10.686 -9.118 1.00 0.00 C ATOM 1671 O VAL B 36 0.952 10.723 -7.975 1.00 0.00 O ATOM 1672 CB VAL B 36 0.470 8.273 -9.792 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -1.051 8.273 -9.733 1.00 0.00 C ATOM 1674 CG2 VAL B 36 0.963 7.237 -10.792 1.00 0.00 C ATOM 0 H VAL B 36 2.924 9.607 -9.289 1.00 0.00 H new ATOM 0 HA VAL B 36 0.659 9.964 -11.136 1.00 0.00 H new ATOM 0 HB VAL B 36 0.850 8.007 -8.806 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.405 7.273 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.386 8.977 -8.971 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.453 8.570 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.569 6.256 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.621 7.505 -11.792 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.052 7.207 -10.778 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.468 11.506 -9.535 1.00 0.00 N ATOM 1685 CA HIS B 37 -1.140 12.425 -8.627 1.00 0.00 C ATOM 1686 C HIS B 37 -2.219 11.672 -7.856 1.00 0.00 C ATOM 1687 O HIS B 37 -3.106 11.060 -8.454 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.759 13.588 -9.412 1.00 0.00 C ATOM 1689 CG HIS B 37 -2.287 14.702 -8.553 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -3.495 14.606 -7.904 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -1.742 15.915 -8.289 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -3.659 15.754 -7.272 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -2.624 16.578 -7.474 1.00 0.00 N ATOM 0 H HIS B 37 -0.796 11.553 -10.500 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.415 12.834 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.009 13.993 -10.091 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.572 13.203 -10.028 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.795 16.288 -8.651 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -4.520 15.997 -6.668 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.512 17.518 -7.095 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.135 11.704 -6.535 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.062 10.958 -5.696 1.00 0.00 C ATOM 1703 C LEU B 38 -3.838 11.902 -4.779 1.00 0.00 C ATOM 1704 O LEU B 38 -4.596 11.470 -3.913 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.296 9.920 -4.869 1.00 0.00 C ATOM 1706 CG LEU B 38 -3.163 8.893 -4.138 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -3.942 8.049 -5.134 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.306 8.010 -3.245 1.00 0.00 C ATOM 0 H LEU B 38 -1.435 12.238 -6.020 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.777 10.443 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.611 9.388 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -1.686 10.445 -4.133 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.875 9.428 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.553 7.324 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.586 8.694 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -3.246 7.523 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.940 7.286 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.570 7.483 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -1.792 8.627 -2.508 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.677 13.197 -4.999 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.309 14.175 -4.134 1.00 0.00 C ATOM 1722 C GLY B 39 -5.684 14.587 -4.622 1.00 0.00 C ATOM 1723 O GLY B 39 -6.119 15.716 -4.390 1.00 0.00 O ATOM 0 H GLY B 39 -3.122 13.590 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -4.393 13.763 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.673 15.058 -4.065 1.00 0.00 H new ATOM 1727 N THR B 40 -6.368 13.677 -5.298 1.00 0.00 N ATOM 1728 CA THR B 40 -7.696 13.957 -5.832 1.00 0.00 C ATOM 1729 C THR B 40 -8.494 12.668 -6.006 1.00 0.00 C ATOM 1730 O THR B 40 -9.665 12.594 -5.626 1.00 0.00 O ATOM 1731 CB THR B 40 -7.614 14.701 -7.185 1.00 0.00 C ATOM 1732 OG1 THR B 40 -6.888 15.927 -7.026 1.00 0.00 O ATOM 1733 CG2 THR B 40 -9.001 15.006 -7.736 1.00 0.00 C ATOM 0 H THR B 40 -6.026 12.736 -5.491 1.00 0.00 H new ATOM 0 HA THR B 40 -8.205 14.599 -5.113 1.00 0.00 H new ATOM 0 HB THR B 40 -7.097 14.051 -7.891 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.672 16.059 -6.079 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.907 15.529 -8.688 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.546 14.074 -7.886 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.544 15.633 -7.029 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.857 11.649 -6.571 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.528 10.377 -6.811 1.00 0.00 C ATOM 1743 C ASP B 41 -8.455 9.492 -5.574 1.00 0.00 C ATOM 1744 O ASP B 41 -7.379 9.043 -5.179 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.911 9.654 -8.009 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.688 8.408 -8.380 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -8.495 7.367 -7.727 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -9.511 8.472 -9.315 1.00 0.00 O ATOM 0 H ASP B 41 -6.882 11.678 -6.870 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.575 10.585 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.880 10.330 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.881 9.384 -7.778 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.611 9.245 -4.964 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.674 8.459 -3.735 1.00 0.00 C ATOM 1755 C LYS B 42 -9.842 6.968 -4.024 1.00 0.00 C ATOM 1756 O LYS B 42 -10.011 6.165 -3.104 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.822 8.954 -2.849 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.630 10.383 -2.372 1.00 0.00 C ATOM 1759 CD LYS B 42 -11.709 10.796 -1.385 1.00 0.00 C ATOM 1760 CE LYS B 42 -11.459 12.200 -0.864 1.00 0.00 C ATOM 1761 NZ LYS B 42 -12.448 12.597 0.168 1.00 0.00 N ATOM 0 H LYS B 42 -10.515 9.577 -5.300 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.728 8.592 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.758 8.885 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -10.915 8.297 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -9.651 10.482 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.643 11.057 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -12.685 10.752 -1.868 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.733 10.094 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -10.455 12.257 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.498 12.906 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.240 13.562 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -13.405 12.568 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -12.394 11.939 0.972 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.775 6.599 -5.293 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.909 5.204 -5.681 1.00 0.00 C ATOM 1777 C ALA B 43 -8.543 4.542 -5.742 1.00 0.00 C ATOM 1778 O ALA B 43 -8.360 3.416 -5.275 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.614 5.087 -7.022 1.00 0.00 C ATOM 0 H ALA B 43 -9.629 7.244 -6.070 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.512 4.693 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.705 4.036 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.607 5.530 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -10.037 5.611 -7.784 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.578 5.258 -6.302 1.00 0.00 N ATOM 1786 CA ARG B 44 -6.220 4.747 -6.431 1.00 0.00 C ATOM 1787 C ARG B 44 -5.490 4.787 -5.090 1.00 0.00 C ATOM 1788 O ARG B 44 -4.357 4.323 -4.975 1.00 0.00 O ATOM 1789 CB ARG B 44 -5.449 5.538 -7.488 1.00 0.00 C ATOM 1790 CG ARG B 44 -6.142 5.559 -8.841 1.00 0.00 C ATOM 1791 CD ARG B 44 -5.242 6.118 -9.926 1.00 0.00 C ATOM 1792 NE ARG B 44 -4.121 5.227 -10.217 1.00 0.00 N ATOM 1793 CZ ARG B 44 -3.219 5.451 -11.170 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -3.308 6.533 -11.934 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -2.232 4.585 -11.366 1.00 0.00 N ATOM 0 H ARG B 44 -7.711 6.198 -6.676 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.278 3.707 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.314 6.562 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -4.455 5.106 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.448 4.548 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.049 6.160 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -5.824 6.278 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -4.861 7.091 -9.616 1.00 0.00 H new ATOM 0 HE ARG B 44 -4.024 4.381 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -4.070 7.196 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -2.615 6.701 -12.663 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -2.165 3.748 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -1.541 4.756 -12.096 1.00 0.00 H new ATOM 1809 N ILE B 45 -6.150 5.337 -4.073 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.632 5.289 -2.709 1.00 0.00 C ATOM 1811 C ILE B 45 -5.508 3.834 -2.261 1.00 0.00 C ATOM 1812 O ILE B 45 -4.622 3.479 -1.482 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.537 6.074 -1.724 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.531 7.564 -2.080 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.088 5.867 -0.279 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.353 8.423 -1.139 1.00 0.00 C ATOM 0 H ILE B 45 -7.043 5.820 -4.168 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.650 5.763 -2.702 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.554 5.692 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.502 7.924 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.911 7.687 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.741 6.429 0.389 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.140 4.807 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.062 6.217 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.299 9.464 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.391 8.091 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -6.960 8.332 -0.126 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.383 2.986 -2.792 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.331 1.560 -2.509 1.00 0.00 C ATOM 1830 C ALA B 46 -5.044 0.953 -3.050 1.00 0.00 C ATOM 1831 O ALA B 46 -4.497 0.023 -2.464 1.00 0.00 O ATOM 1832 CB ALA B 46 -7.539 0.855 -3.100 1.00 0.00 C ATOM 0 H ALA B 46 -7.136 3.264 -3.421 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.347 1.425 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.483 -0.211 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.450 1.268 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.553 1.001 -4.180 1.00 0.00 H new ATOM 1838 N GLU B 47 -4.559 1.490 -4.166 1.00 0.00 N ATOM 1839 CA GLU B 47 -3.294 1.046 -4.738 1.00 0.00 C ATOM 1840 C GLU B 47 -2.148 1.442 -3.820 1.00 0.00 C ATOM 1841 O GLU B 47 -1.188 0.694 -3.641 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.077 1.644 -6.128 1.00 0.00 C ATOM 1843 CG GLU B 47 -4.161 1.282 -7.128 1.00 0.00 C ATOM 1844 CD GLU B 47 -3.831 1.751 -8.530 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -3.129 1.015 -9.251 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -4.272 2.852 -8.917 1.00 0.00 O ATOM 0 H GLU B 47 -5.023 2.232 -4.691 1.00 0.00 H new ATOM 0 HA GLU B 47 -3.325 -0.039 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -3.023 2.729 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.114 1.307 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.301 0.201 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -5.106 1.725 -6.812 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.268 2.626 -3.229 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.298 3.097 -2.254 1.00 0.00 C ATOM 1855 C ALA B 48 -1.257 2.156 -1.055 1.00 0.00 C ATOM 1856 O ALA B 48 -0.186 1.736 -0.618 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.638 4.515 -1.816 1.00 0.00 C ATOM 0 H ALA B 48 -3.032 3.277 -3.411 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.310 3.108 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.904 4.856 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.623 5.177 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.631 4.529 -1.366 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.436 1.811 -0.546 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.553 0.866 0.560 1.00 0.00 C ATOM 1865 C GLU B 49 -2.009 -0.503 0.158 1.00 0.00 C ATOM 1866 O GLU B 49 -1.337 -1.172 0.944 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.014 0.730 0.996 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.619 2.012 1.546 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.052 1.824 2.001 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.299 0.931 2.836 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -6.936 2.581 1.546 1.00 0.00 O ATOM 0 H GLU B 49 -3.328 2.174 -0.884 1.00 0.00 H new ATOM 0 HA GLU B 49 -1.966 1.249 1.395 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.607 0.397 0.144 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.084 -0.048 1.756 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.018 2.364 2.384 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.582 2.786 0.780 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.304 -0.898 -1.074 1.00 0.00 N ATOM 1879 CA LYS B 50 -1.885 -2.185 -1.615 1.00 0.00 C ATOM 1880 C LYS B 50 -0.362 -2.308 -1.638 1.00 0.00 C ATOM 1881 O LYS B 50 0.187 -3.380 -1.389 1.00 0.00 O ATOM 1882 CB LYS B 50 -2.447 -2.347 -3.031 1.00 0.00 C ATOM 1883 CG LYS B 50 -2.220 -3.715 -3.649 1.00 0.00 C ATOM 1884 CD LYS B 50 -2.701 -3.739 -5.091 1.00 0.00 C ATOM 1885 CE LYS B 50 -2.597 -5.125 -5.707 1.00 0.00 C ATOM 1886 NZ LYS B 50 -1.216 -5.667 -5.644 1.00 0.00 N ATOM 0 H LYS B 50 -2.843 -0.332 -1.729 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.273 -2.974 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.518 -2.147 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -1.996 -1.592 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -1.160 -3.966 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -2.749 -4.473 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -3.737 -3.401 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -2.113 -3.036 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -3.275 -5.803 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -2.922 -5.083 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.164 -6.549 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.552 -4.972 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.964 -5.860 -4.654 1.00 0.00 H new ATOM 1900 N ALA B 51 0.315 -1.208 -1.941 1.00 0.00 N ATOM 1901 CA ALA B 51 1.772 -1.200 -1.996 1.00 0.00 C ATOM 1902 C ALA B 51 2.371 -1.014 -0.606 1.00 0.00 C ATOM 1903 O ALA B 51 3.312 -1.709 -0.222 1.00 0.00 O ATOM 1904 CB ALA B 51 2.258 -0.107 -2.934 1.00 0.00 C ATOM 0 H ALA B 51 -0.121 -0.310 -2.152 1.00 0.00 H new ATOM 0 HA ALA B 51 2.103 -2.165 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA B 51 3.348 -0.112 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.865 -0.285 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.910 0.862 -2.575 1.00 0.00 H new ATOM 1910 N GLY B 52 1.813 -0.080 0.148 1.00 0.00 N ATOM 1911 CA GLY B 52 2.321 0.204 1.475 1.00 0.00 C ATOM 1912 C GLY B 52 2.621 1.673 1.669 1.00 0.00 C ATOM 1913 O GLY B 52 3.511 2.042 2.434 1.00 0.00 O ATOM 0 H GLY B 52 1.015 0.488 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.591 -0.117 2.218 1.00 0.00 H new ATOM 0 HA3 GLY B 52 3.228 -0.376 1.647 1.00 0.00 H new ATOM 1917 N VAL B 53 1.876 2.511 0.972 1.00 0.00 N ATOM 1918 CA VAL B 53 2.035 3.949 1.077 1.00 0.00 C ATOM 1919 C VAL B 53 1.034 4.495 2.084 1.00 0.00 C ATOM 1920 O VAL B 53 -0.130 4.095 2.082 1.00 0.00 O ATOM 1921 CB VAL B 53 1.813 4.634 -0.287 1.00 0.00 C ATOM 1922 CG1 VAL B 53 2.243 6.092 -0.241 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.544 3.886 -1.390 1.00 0.00 C ATOM 0 H VAL B 53 1.148 2.216 0.321 1.00 0.00 H new ATOM 0 HA VAL B 53 3.053 4.159 1.406 1.00 0.00 H new ATOM 0 HB VAL B 53 0.746 4.608 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.076 6.552 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.660 6.620 0.514 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.302 6.151 0.011 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.374 4.386 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.612 3.871 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.171 2.863 -1.445 1.00 0.00 H new ATOM 1933 N LYS B 54 1.487 5.378 2.960 1.00 0.00 N ATOM 1934 CA LYS B 54 0.610 5.959 3.968 1.00 0.00 C ATOM 1935 C LYS B 54 0.585 7.476 3.860 1.00 0.00 C ATOM 1936 O LYS B 54 -0.324 8.128 4.375 1.00 0.00 O ATOM 1937 CB LYS B 54 1.049 5.529 5.367 1.00 0.00 C ATOM 1938 CG LYS B 54 0.925 4.032 5.591 1.00 0.00 C ATOM 1939 CD LYS B 54 1.430 3.617 6.957 1.00 0.00 C ATOM 1940 CE LYS B 54 1.324 2.111 7.151 1.00 0.00 C ATOM 1941 NZ LYS B 54 2.007 1.354 6.065 1.00 0.00 N ATOM 0 H LYS B 54 2.452 5.708 2.995 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.401 5.592 3.791 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.084 5.831 5.526 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.447 6.053 6.109 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -0.118 3.735 5.485 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.487 3.503 4.821 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.468 3.929 7.074 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.855 4.127 7.730 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.761 1.839 8.112 1.00 0.00 H new ATOM 0 HE3 LYS B 54 0.273 1.824 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.164 0.373 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.413 1.360 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.922 1.801 5.853 1.00 0.00 H new ATOM 1955 N SER B 55 1.576 8.034 3.187 1.00 0.00 N ATOM 1956 CA SER B 55 1.643 9.469 3.002 1.00 0.00 C ATOM 1957 C SER B 55 2.039 9.806 1.565 1.00 0.00 C ATOM 1958 O SER B 55 2.811 9.079 0.939 1.00 0.00 O ATOM 1959 CB SER B 55 2.640 10.067 3.999 1.00 0.00 C ATOM 1960 OG SER B 55 2.298 9.714 5.332 1.00 0.00 O ATOM 0 H SER B 55 2.343 7.514 2.761 1.00 0.00 H new ATOM 0 HA SER B 55 0.659 9.901 3.186 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.645 9.712 3.771 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.654 11.152 3.898 1.00 0.00 H new ATOM 0 HG SER B 55 2.949 10.105 5.951 1.00 0.00 H new ATOM 1966 N VAL B 56 1.486 10.890 1.039 1.00 0.00 N ATOM 1967 CA VAL B 56 1.845 11.358 -0.290 1.00 0.00 C ATOM 1968 C VAL B 56 3.051 12.315 -0.196 1.00 0.00 C ATOM 1969 O VAL B 56 3.618 12.457 0.889 1.00 0.00 O ATOM 1970 CB VAL B 56 0.637 11.983 -1.026 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.299 10.893 -1.524 1.00 0.00 C ATOM 1972 CG2 VAL B 56 -0.114 12.943 -0.129 1.00 0.00 C ATOM 0 H VAL B 56 0.787 11.461 1.513 1.00 0.00 H new ATOM 0 HA VAL B 56 2.144 10.503 -0.897 1.00 0.00 H new ATOM 0 HB VAL B 56 1.018 12.544 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.145 11.347 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.237 10.239 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.661 10.310 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.958 13.366 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.480 12.410 0.749 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.554 13.745 0.186 1.00 0.00 H new ATOM 1982 N PRO B 57 3.345 13.135 -1.236 1.00 0.00 N ATOM 1983 CA PRO B 57 4.693 13.375 -1.703 1.00 0.00 C ATOM 1984 C PRO B 57 5.740 12.428 -1.117 1.00 0.00 C ATOM 1985 O PRO B 57 6.404 12.711 -0.117 1.00 0.00 O ATOM 1986 CB PRO B 57 4.839 14.836 -1.319 1.00 0.00 C ATOM 1987 CG PRO B 57 3.456 15.393 -1.603 1.00 0.00 C ATOM 1988 CD PRO B 57 2.526 14.193 -1.788 1.00 0.00 C ATOM 0 HA PRO B 57 4.859 13.179 -2.762 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.116 14.954 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO B 57 5.606 15.336 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.116 16.022 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.466 16.016 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.585 14.312 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.276 14.020 -2.835 1.00 0.00 H new ATOM 1996 N ALA B 58 5.853 11.281 -1.783 1.00 0.00 N ATOM 1997 CA ALA B 58 6.745 10.209 -1.381 1.00 0.00 C ATOM 1998 C ALA B 58 7.200 9.422 -2.605 1.00 0.00 C ATOM 1999 O ALA B 58 6.518 9.415 -3.634 1.00 0.00 O ATOM 2000 CB ALA B 58 6.039 9.285 -0.401 1.00 0.00 C ATOM 0 H ALA B 58 5.319 11.073 -2.627 1.00 0.00 H new ATOM 0 HA ALA B 58 7.619 10.640 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.716 8.483 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.739 9.851 0.481 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.156 8.857 -0.876 1.00 0.00 H new ATOM 2006 N LEU B 59 8.345 8.766 -2.493 1.00 0.00 N ATOM 2007 CA LEU B 59 8.879 7.965 -3.586 1.00 0.00 C ATOM 2008 C LEU B 59 8.827 6.485 -3.227 1.00 0.00 C ATOM 2009 O LEU B 59 9.531 6.026 -2.331 1.00 0.00 O ATOM 2010 CB LEU B 59 10.319 8.384 -3.896 1.00 0.00 C ATOM 2011 CG LEU B 59 10.984 7.630 -5.051 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.232 7.867 -6.353 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.438 8.052 -5.190 1.00 0.00 C ATOM 0 H LEU B 59 8.925 8.772 -1.654 1.00 0.00 H new ATOM 0 HA LEU B 59 8.268 8.132 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.329 9.449 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.922 8.246 -2.998 1.00 0.00 H new ATOM 0 HG LEU B 59 10.952 6.563 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU B 59 10.721 7.322 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.205 7.516 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.230 8.932 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU B 59 12.898 7.508 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.489 9.123 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU B 59 12.972 7.829 -4.266 1.00 0.00 H new ATOM 2025 N VAL B 60 7.981 5.742 -3.919 1.00 0.00 N ATOM 2026 CA VAL B 60 7.807 4.326 -3.642 1.00 0.00 C ATOM 2027 C VAL B 60 8.633 3.485 -4.607 1.00 0.00 C ATOM 2028 O VAL B 60 8.263 3.305 -5.765 1.00 0.00 O ATOM 2029 CB VAL B 60 6.324 3.922 -3.743 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.122 2.469 -3.339 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.471 4.844 -2.888 1.00 0.00 C ATOM 0 H VAL B 60 7.402 6.097 -4.680 1.00 0.00 H new ATOM 0 HA VAL B 60 8.151 4.143 -2.624 1.00 0.00 H new ATOM 0 HB VAL B 60 6.012 4.022 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.066 2.212 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL B 60 6.704 1.824 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.451 2.328 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.425 4.549 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.790 4.774 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.586 5.871 -3.235 1.00 0.00 H new ATOM 2041 N ILE B 61 9.754 2.974 -4.126 1.00 0.00 N ATOM 2042 CA ILE B 61 10.658 2.201 -4.963 1.00 0.00 C ATOM 2043 C ILE B 61 10.404 0.707 -4.795 1.00 0.00 C ATOM 2044 O ILE B 61 10.630 0.151 -3.719 1.00 0.00 O ATOM 2045 CB ILE B 61 12.135 2.506 -4.633 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.406 4.011 -4.744 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.062 1.729 -5.561 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.815 4.407 -4.357 1.00 0.00 C ATOM 0 H ILE B 61 10.061 3.080 -3.159 1.00 0.00 H new ATOM 0 HA ILE B 61 10.464 2.489 -5.996 1.00 0.00 H new ATOM 0 HB ILE B 61 12.332 2.192 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.217 4.330 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.700 4.546 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.099 1.957 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE B 61 12.886 0.660 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE B 61 12.865 2.014 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.931 5.486 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.002 4.120 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.527 3.901 -5.009 1.00 0.00 H new ATOM 2060 N ASP B 62 9.892 0.080 -5.857 1.00 0.00 N ATOM 2061 CA ASP B 62 9.678 -1.372 -5.902 1.00 0.00 C ATOM 2062 C ASP B 62 8.624 -1.822 -4.882 1.00 0.00 C ATOM 2063 O ASP B 62 8.389 -3.014 -4.691 1.00 0.00 O ATOM 2064 CB ASP B 62 11.011 -2.104 -5.680 1.00 0.00 C ATOM 2065 CG ASP B 62 10.916 -3.603 -5.890 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.556 -4.034 -7.008 1.00 0.00 O ATOM 2067 OD2 ASP B 62 11.227 -4.359 -4.945 1.00 0.00 O ATOM 0 H ASP B 62 9.613 0.563 -6.711 1.00 0.00 H new ATOM 0 HA ASP B 62 9.295 -1.630 -6.889 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.759 -1.696 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.361 -1.908 -4.666 1.00 0.00 H new ATOM 2072 N GLY B 63 7.957 -0.864 -4.259 1.00 0.00 N ATOM 2073 CA GLY B 63 6.965 -1.189 -3.253 1.00 0.00 C ATOM 2074 C GLY B 63 7.306 -0.606 -1.896 1.00 0.00 C ATOM 2075 O GLY B 63 6.461 -0.559 -1.004 1.00 0.00 O ATOM 0 H GLY B 63 8.084 0.133 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY B 63 5.992 -0.815 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY B 63 6.878 -2.272 -3.169 1.00 0.00 H new ATOM 2079 N ALA B 64 8.546 -0.165 -1.736 1.00 0.00 N ATOM 2080 CA ALA B 64 8.974 0.470 -0.498 1.00 0.00 C ATOM 2081 C ALA B 64 8.703 1.968 -0.559 1.00 0.00 C ATOM 2082 O ALA B 64 9.308 2.686 -1.357 1.00 0.00 O ATOM 2083 CB ALA B 64 10.448 0.197 -0.239 1.00 0.00 C ATOM 0 H ALA B 64 9.273 -0.235 -2.448 1.00 0.00 H new ATOM 0 HA ALA B 64 8.403 0.048 0.329 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.750 0.680 0.691 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.610 -0.878 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.042 0.593 -1.063 1.00 0.00 H new ATOM 2089 N ALA B 65 7.781 2.432 0.271 1.00 0.00 N ATOM 2090 CA ALA B 65 7.376 3.831 0.261 1.00 0.00 C ATOM 2091 C ALA B 65 8.342 4.694 1.060 1.00 0.00 C ATOM 2092 O ALA B 65 8.389 4.619 2.288 1.00 0.00 O ATOM 2093 CB ALA B 65 5.963 3.973 0.806 1.00 0.00 C ATOM 0 H ALA B 65 7.297 1.859 0.962 1.00 0.00 H new ATOM 0 HA ALA B 65 7.395 4.179 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.672 5.023 0.793 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.275 3.398 0.186 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.928 3.599 1.829 1.00 0.00 H new ATOM 2099 N PHE B 66 9.128 5.495 0.360 1.00 0.00 N ATOM 2100 CA PHE B 66 10.035 6.428 1.008 1.00 0.00 C ATOM 2101 C PHE B 66 9.434 7.825 0.998 1.00 0.00 C ATOM 2102 O PHE B 66 9.502 8.538 -0.004 1.00 0.00 O ATOM 2103 CB PHE B 66 11.399 6.426 0.316 1.00 0.00 C ATOM 2104 CG PHE B 66 12.087 5.091 0.363 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.621 4.617 1.549 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.193 4.309 -0.776 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.248 3.389 1.601 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.819 3.080 -0.731 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.348 2.619 0.460 1.00 0.00 C ATOM 0 H PHE B 66 9.156 5.518 -0.659 1.00 0.00 H new ATOM 0 HA PHE B 66 10.180 6.113 2.041 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.271 6.725 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.038 7.173 0.786 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.546 5.216 2.445 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.781 4.665 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.660 3.031 2.533 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.896 2.479 -1.625 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.839 1.658 0.498 1.00 0.00 H new ATOM 2119 N HIS B 67 8.820 8.193 2.109 1.00 0.00 N ATOM 2120 CA HIS B 67 8.146 9.479 2.230 1.00 0.00 C ATOM 2121 C HIS B 67 9.172 10.605 2.290 1.00 0.00 C ATOM 2122 O HIS B 67 10.073 10.584 3.127 1.00 0.00 O ATOM 2123 CB HIS B 67 7.255 9.482 3.478 1.00 0.00 C ATOM 2124 CG HIS B 67 6.275 8.342 3.513 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.458 7.191 4.251 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.083 8.192 2.883 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.396 6.399 4.050 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.528 6.960 3.227 1.00 0.00 N ATOM 0 H HIS B 67 8.773 7.615 2.948 1.00 0.00 H new ATOM 0 HA HIS B 67 7.516 9.640 1.355 1.00 0.00 H new ATOM 0 HB2 HIS B 67 7.886 9.437 4.366 1.00 0.00 H new ATOM 0 HB3 HIS B 67 6.708 10.424 3.523 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.260 6.980 4.845 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.634 8.915 2.218 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.266 5.427 4.503 1.00 0.00 H new ATOM 2136 N ILE B 68 9.034 11.581 1.402 1.00 0.00 N ATOM 2137 CA ILE B 68 10.042 12.623 1.263 1.00 0.00 C ATOM 2138 C ILE B 68 9.674 13.856 2.078 1.00 0.00 C ATOM 2139 O ILE B 68 8.706 14.554 1.764 1.00 0.00 O ATOM 2140 CB ILE B 68 10.244 13.011 -0.218 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.640 11.772 -1.031 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.302 14.100 -0.348 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.796 12.032 -2.513 1.00 0.00 C ATOM 0 H ILE B 68 8.238 11.673 0.770 1.00 0.00 H new ATOM 0 HA ILE B 68 10.979 12.220 1.647 1.00 0.00 H new ATOM 0 HB ILE B 68 9.306 13.404 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.579 11.379 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE B 68 9.886 10.999 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.430 14.360 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE B 68 10.986 14.983 0.208 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.248 13.738 0.054 1.00 0.00 H new ATOM 0 HD11 ILE B 68 11.077 11.107 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.852 12.395 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.572 12.781 -2.671 1.00 0.00 H new ATOM 2155 N ASN B 69 10.466 14.110 3.121 1.00 0.00 N ATOM 2156 CA ASN B 69 10.227 15.207 4.060 1.00 0.00 C ATOM 2157 C ASN B 69 8.895 15.018 4.770 1.00 0.00 C ATOM 2158 O ASN B 69 8.823 14.377 5.817 1.00 0.00 O ATOM 2159 CB ASN B 69 10.262 16.575 3.356 1.00 0.00 C ATOM 2160 CG ASN B 69 11.647 16.957 2.868 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.653 16.583 3.464 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.710 17.709 1.780 1.00 0.00 N ATOM 0 H ASN B 69 11.295 13.558 3.339 1.00 0.00 H new ATOM 0 HA ASN B 69 11.030 15.189 4.797 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.576 16.559 2.509 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.901 17.340 4.043 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.616 17.997 1.411 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.852 18.001 1.311 1.00 0.00 H new ATOM 2169 N PHE B 70 7.848 15.553 4.161 1.00 0.00 N ATOM 2170 CA PHE B 70 6.491 15.437 4.661 1.00 0.00 C ATOM 2171 C PHE B 70 5.555 16.173 3.717 1.00 0.00 C ATOM 2172 O PHE B 70 5.372 17.387 3.834 1.00 0.00 O ATOM 2173 CB PHE B 70 6.359 16.006 6.082 1.00 0.00 C ATOM 2174 CG PHE B 70 4.986 15.843 6.674 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.564 14.612 7.148 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.119 16.922 6.758 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.304 14.459 7.694 1.00 0.00 C ATOM 2178 CE2 PHE B 70 2.857 16.774 7.302 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.450 15.541 7.770 1.00 0.00 C ATOM 0 H PHE B 70 7.920 16.086 3.295 1.00 0.00 H new ATOM 0 HA PHE B 70 6.227 14.380 4.707 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.085 15.514 6.730 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.614 17.066 6.065 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.227 13.762 7.090 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.433 17.889 6.394 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.988 13.494 8.061 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.190 17.622 7.361 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.464 15.423 8.195 1.00 0.00 H new ATOM 2189 N GLY B 71 5.021 15.455 2.742 1.00 0.00 N ATOM 2190 CA GLY B 71 4.040 16.039 1.862 1.00 0.00 C ATOM 2191 C GLY B 71 2.682 16.048 2.511 1.00 0.00 C ATOM 2192 O GLY B 71 2.322 16.997 3.209 1.00 0.00 O ATOM 0 H GLY B 71 5.251 14.481 2.547 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.333 17.057 1.607 1.00 0.00 H new ATOM 0 HA3 GLY B 71 3.999 15.476 0.930 1.00 0.00 H new ATOM 2196 N ALA B 72 1.920 14.997 2.286 1.00 0.00 N ATOM 2197 CA ALA B 72 0.658 14.827 2.989 1.00 0.00 C ATOM 2198 C ALA B 72 0.506 13.369 3.360 1.00 0.00 C ATOM 2199 O ALA B 72 1.423 12.595 3.138 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.520 15.329 2.162 1.00 0.00 C ATOM 0 H ALA B 72 2.147 14.251 1.628 1.00 0.00 H new ATOM 0 HA ALA B 72 0.665 15.430 3.897 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.445 15.185 2.721 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -0.388 16.389 1.947 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.571 14.772 1.226 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.624 12.988 3.917 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.833 11.597 4.245 1.00 0.00 C ATOM 2208 C GLY B 73 -2.223 11.125 3.893 1.00 0.00 C ATOM 2209 O GLY B 73 -3.052 11.907 3.419 1.00 0.00 O ATOM 0 H GLY B 73 -1.398 13.610 4.148 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -0.100 10.988 3.716 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.661 11.448 5.311 1.00 0.00 H new ATOM 2213 N ILE B 74 -2.475 9.842 4.117 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.801 9.277 3.943 1.00 0.00 C ATOM 2215 C ILE B 74 -4.783 9.971 4.880 1.00 0.00 C ATOM 2216 O ILE B 74 -5.947 10.166 4.537 1.00 0.00 O ATOM 2217 CB ILE B 74 -3.796 7.747 4.196 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.053 7.032 3.061 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -5.210 7.200 4.338 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.018 5.524 3.205 1.00 0.00 C ATOM 0 H ILE B 74 -1.770 9.171 4.422 1.00 0.00 H new ATOM 0 HA ILE B 74 -4.114 9.440 2.912 1.00 0.00 H new ATOM 0 HB ILE B 74 -3.277 7.560 5.136 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -3.527 7.286 2.113 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -2.030 7.407 3.016 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -5.168 6.125 4.514 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -5.706 7.687 5.178 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -5.770 7.396 3.423 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.476 5.091 2.365 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.517 5.259 4.136 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -4.037 5.136 3.218 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.284 10.383 6.046 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.080 11.144 7.012 1.00 0.00 C ATOM 2234 C ASP B 75 -5.728 12.362 6.354 1.00 0.00 C ATOM 2235 O ASP B 75 -6.879 12.694 6.639 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.214 11.609 8.191 1.00 0.00 C ATOM 2237 CG ASP B 75 -3.958 10.526 9.224 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -4.762 10.403 10.175 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -2.938 9.811 9.111 1.00 0.00 O ATOM 0 H ASP B 75 -3.326 10.201 6.346 1.00 0.00 H new ATOM 0 HA ASP B 75 -5.862 10.480 7.380 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -3.258 11.968 7.809 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.701 12.455 8.677 1.00 0.00 H new ATOM 2244 N ASP B 76 -4.986 13.017 5.466 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.467 14.223 4.793 1.00 0.00 C ATOM 2246 C ASP B 76 -6.472 13.868 3.704 1.00 0.00 C ATOM 2247 O ASP B 76 -7.562 14.433 3.639 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.306 15.002 4.161 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.216 15.362 5.149 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -2.272 14.564 5.310 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.283 16.451 5.754 1.00 0.00 O ATOM 0 H ASP B 76 -4.045 12.733 5.194 1.00 0.00 H new ATOM 0 HA ASP B 76 -5.949 14.845 5.547 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.875 14.407 3.356 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.694 15.915 3.710 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.092 12.919 2.858 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.884 12.562 1.683 1.00 0.00 C ATOM 2258 C LEU B 77 -8.167 11.828 2.062 1.00 0.00 C ATOM 2259 O LEU B 77 -9.200 11.991 1.416 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.052 11.691 0.739 1.00 0.00 C ATOM 2261 CG LEU B 77 -4.752 12.324 0.242 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.982 11.341 -0.622 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.042 13.603 -0.532 1.00 0.00 C ATOM 0 H LEU B 77 -5.234 12.378 2.963 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.165 13.488 1.182 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.811 10.759 1.249 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.664 11.432 -0.125 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.139 12.579 1.106 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.059 11.806 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.743 10.452 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.590 11.058 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.105 14.039 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.674 13.374 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -5.555 14.313 0.117 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.093 11.017 3.105 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.234 10.228 3.542 1.00 0.00 C ATOM 2277 C LYS B 78 -10.125 11.048 4.474 1.00 0.00 C ATOM 2278 O LYS B 78 -11.317 10.771 4.615 1.00 0.00 O ATOM 2279 CB LYS B 78 -8.737 8.959 4.234 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.823 7.959 4.578 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.224 6.685 5.147 1.00 0.00 C ATOM 2282 CE LYS B 78 -10.293 5.685 5.544 1.00 0.00 C ATOM 2283 NZ LYS B 78 -11.186 6.221 6.604 1.00 0.00 N ATOM 0 H LYS B 78 -7.252 10.887 3.667 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.832 9.945 2.676 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -8.005 8.473 3.589 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -8.218 9.240 5.150 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -10.511 8.397 5.301 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -10.404 7.726 3.686 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.562 6.234 4.408 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -8.613 6.928 6.017 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -10.886 5.421 4.669 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -9.820 4.769 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -11.743 5.444 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -10.613 6.666 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -11.828 6.928 6.192 1.00 0.00 H new