USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 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= -0.667! C(o=0.4!,f=-11!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.07 K(o=0.4,f=-14!) USER MOD Set 2.1: A 69 ASN : amide:sc= 1.57 K(o=0.79,f=-11!) USER MOD Set 2.2: B 55 SER OG : rot 180:sc= -0.101 USER MOD Set 2.3: B 67 HIS : no HE2:sc= -0.678 K(o=0.79,f=-6!) USER MOD Set 3.1: B 9 HIS : no HD1:sc= 1.45 K(o=4.2,f=-5.5!) USER MOD Set 3.2: B 12 CYS SG : rot -19:sc= 1.23 USER MOD Set 3.3: B 15 CYS SG : rot 135:sc= 1.4 USER MOD Set 3.4: B 37 HIS : no HD1:sc= 0.2 K(o=4.2,f=2.8) USER MOD Set 3.5: B 40 THR OG1 : rot 85:sc= -0.0538 USER MOD Set 4.1: A 12 CYS SG : rot 180:sc= 1.13 USER MOD Set 4.2: A 15 CYS SG : rot 71:sc= -0.721! USER MOD Set 5.1: A 9 HIS : no HD1:sc= -0.0151 K(o=0.36,f=-0.48) USER MOD Set 5.2: A 37 HIS : no HD1:sc= 0.385 K(o=0.36,f=-2.8!) USER MOD Set 5.3: A 40 THR OG1 : rot 80:sc=-0.00711 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.202) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 76:sc= 0.496 USER MOD Single : A 20 GLN : amide:sc= -0.0861 K(o=-0.086,f=-0.66) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 114:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.14) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00257 (180deg=-0.104) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc=-0.00214 (180deg=-0.0989) USER MOD Single : A 55 SER OG : rot -152:sc= 0.184 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 2.15 (180deg=1.82) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0346) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0.003 USER MOD Single : B 20 GLN : amide:sc= 1.14 K(o=1.1,f=-0.68) USER MOD Single : B 24 ASN : amide:sc=-0.00624 X(o=-0.0062,f=-0.0062) USER MOD Single : B 29 SER OG : rot 15:sc= 1.2 USER MOD Single : B 30 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.462) USER MOD Single : B 31 TYR OH : rot 30:sc= -0.0546 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+ 166:sc= 2.2 (180deg=1.61) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 166:sc= 0.799 (180deg=-0.72!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 27.884 15.077 -11.356 1.00 0.00 N ATOM 20 CA ALA A 2 27.660 14.259 -10.184 1.00 0.00 C ATOM 21 C ALA A 2 27.527 15.144 -8.954 1.00 0.00 C ATOM 22 O ALA A 2 28.506 15.415 -8.256 1.00 0.00 O ATOM 23 CB ALA A 2 28.787 13.254 -10.012 1.00 0.00 C ATOM 0 HA ALA A 2 26.732 13.702 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.602 12.648 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.836 12.609 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.733 13.784 -9.898 1.00 0.00 H new ATOM 29 N SER A 3 26.315 15.629 -8.727 1.00 0.00 N ATOM 30 CA SER A 3 26.035 16.516 -7.612 1.00 0.00 C ATOM 31 C SER A 3 26.307 15.820 -6.281 1.00 0.00 C ATOM 32 O SER A 3 26.157 14.601 -6.162 1.00 0.00 O ATOM 33 CB SER A 3 24.584 16.988 -7.689 1.00 0.00 C ATOM 34 OG SER A 3 24.285 17.471 -8.991 1.00 0.00 O ATOM 0 H SER A 3 25.503 15.419 -9.308 1.00 0.00 H new ATOM 0 HA SER A 3 26.695 17.381 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.914 16.166 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.412 17.775 -6.955 1.00 0.00 H new ATOM 0 HG SER A 3 23.352 17.768 -9.023 1.00 0.00 H new ATOM 40 N LYS A 4 26.719 16.603 -5.296 1.00 0.00 N ATOM 41 CA LYS A 4 27.087 16.076 -3.991 1.00 0.00 C ATOM 42 C LYS A 4 25.853 15.641 -3.209 1.00 0.00 C ATOM 43 O LYS A 4 25.132 16.470 -2.660 1.00 0.00 O ATOM 44 CB LYS A 4 27.862 17.139 -3.209 1.00 0.00 C ATOM 45 CG LYS A 4 28.433 16.651 -1.890 1.00 0.00 C ATOM 46 CD LYS A 4 29.365 15.469 -2.098 1.00 0.00 C ATOM 47 CE LYS A 4 30.180 15.161 -0.854 1.00 0.00 C ATOM 48 NZ LYS A 4 31.180 16.222 -0.561 1.00 0.00 N ATOM 0 H LYS A 4 26.807 17.616 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 4 27.719 15.200 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.678 17.508 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.202 17.984 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 4 28.974 17.462 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.620 16.364 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 4 28.781 14.591 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.038 15.680 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 4 29.510 15.050 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.692 14.207 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 31.874 15.865 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.669 16.490 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.698 17.054 -0.166 1.00 0.00 H new ATOM 62 N ALA A 5 25.603 14.343 -3.182 1.00 0.00 N ATOM 63 CA ALA A 5 24.491 13.798 -2.423 1.00 0.00 C ATOM 64 C ALA A 5 24.969 13.352 -1.048 1.00 0.00 C ATOM 65 O ALA A 5 25.624 12.325 -0.914 1.00 0.00 O ATOM 66 CB ALA A 5 23.852 12.639 -3.173 1.00 0.00 C ATOM 0 H ALA A 5 26.157 13.645 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 5 23.737 14.575 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.021 12.243 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.485 12.988 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.592 11.854 -3.329 1.00 0.00 H new ATOM 72 N ILE A 6 24.664 14.140 -0.032 1.00 0.00 N ATOM 73 CA ILE A 6 25.116 13.841 1.318 1.00 0.00 C ATOM 74 C ILE A 6 24.027 13.117 2.101 1.00 0.00 C ATOM 75 O ILE A 6 22.949 13.661 2.337 1.00 0.00 O ATOM 76 CB ILE A 6 25.526 15.120 2.075 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.453 15.977 1.208 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.217 14.753 3.381 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.809 17.309 1.837 1.00 0.00 C ATOM 0 H ILE A 6 24.107 14.990 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 6 25.990 13.196 1.230 1.00 0.00 H new ATOM 0 HB ILE A 6 24.629 15.698 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.369 15.421 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.975 16.155 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.503 15.662 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.536 14.172 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.108 14.162 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 6 27.468 17.863 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.900 17.885 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.316 17.139 2.787 1.00 0.00 H new ATOM 91 N PHE A 7 24.315 11.888 2.493 1.00 0.00 N ATOM 92 CA PHE A 7 23.353 11.062 3.203 1.00 0.00 C ATOM 93 C PHE A 7 23.622 11.092 4.705 1.00 0.00 C ATOM 94 O PHE A 7 24.665 10.633 5.173 1.00 0.00 O ATOM 95 CB PHE A 7 23.416 9.627 2.673 1.00 0.00 C ATOM 96 CG PHE A 7 22.426 8.691 3.305 1.00 0.00 C ATOM 97 CD1 PHE A 7 21.068 8.844 3.083 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.857 7.657 4.120 1.00 0.00 C ATOM 99 CE1 PHE A 7 20.157 7.983 3.662 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.950 6.791 4.700 1.00 0.00 C ATOM 101 CZ PHE A 7 20.600 6.955 4.471 1.00 0.00 C ATOM 0 H PHE A 7 25.215 11.437 2.330 1.00 0.00 H new ATOM 0 HA PHE A 7 22.352 11.459 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.248 9.642 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.421 9.237 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.717 9.646 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.913 7.526 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 7 19.100 8.113 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 7 22.298 5.987 5.332 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.889 6.280 4.924 1.00 0.00 H new ATOM 111 N TYR A 8 22.676 11.646 5.446 1.00 0.00 N ATOM 112 CA TYR A 8 22.770 11.725 6.897 1.00 0.00 C ATOM 113 C TYR A 8 21.949 10.616 7.536 1.00 0.00 C ATOM 114 O TYR A 8 20.737 10.545 7.338 1.00 0.00 O ATOM 115 CB TYR A 8 22.263 13.081 7.399 1.00 0.00 C ATOM 116 CG TYR A 8 23.253 14.215 7.257 1.00 0.00 C ATOM 117 CD1 TYR A 8 23.406 14.895 6.055 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.032 14.610 8.336 1.00 0.00 C ATOM 119 CE1 TYR A 8 24.309 15.934 5.935 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.935 15.647 8.225 1.00 0.00 C ATOM 121 CZ TYR A 8 25.070 16.306 7.024 1.00 0.00 C ATOM 122 OH TYR A 8 25.973 17.338 6.912 1.00 0.00 O ATOM 0 H TYR A 8 21.823 12.053 5.061 1.00 0.00 H new ATOM 0 HA TYR A 8 23.818 11.611 7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.355 13.339 6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 8 21.988 12.985 8.449 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.810 14.607 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.929 14.096 9.280 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.418 16.452 4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.533 15.940 9.075 1.00 0.00 H new ATOM 0 HH TYR A 8 26.425 17.472 7.771 1.00 0.00 H new ATOM 132 N HIS A 9 22.597 9.751 8.301 1.00 0.00 N ATOM 133 CA HIS A 9 21.885 8.671 8.967 1.00 0.00 C ATOM 134 C HIS A 9 22.423 8.457 10.378 1.00 0.00 C ATOM 135 O HIS A 9 23.512 8.919 10.711 1.00 0.00 O ATOM 136 CB HIS A 9 21.965 7.375 8.147 1.00 0.00 C ATOM 137 CG HIS A 9 23.293 6.678 8.187 1.00 0.00 C ATOM 138 ND1 HIS A 9 23.452 5.495 8.868 1.00 0.00 N ATOM 139 CD2 HIS A 9 24.468 7.013 7.602 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.711 5.138 8.687 1.00 0.00 C ATOM 141 NE2 HIS A 9 25.366 6.028 7.928 1.00 0.00 N ATOM 0 H HIS A 9 23.602 9.774 8.475 1.00 0.00 H new ATOM 0 HA HIS A 9 20.836 8.955 9.045 1.00 0.00 H new ATOM 0 HB2 HIS A 9 21.200 6.687 8.508 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.724 7.604 7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 9 24.661 7.886 6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.156 4.244 9.098 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.345 5.982 7.646 1.00 0.00 H new ATOM 149 N ALA A 10 21.652 7.763 11.205 1.00 0.00 N ATOM 150 CA ALA A 10 22.029 7.548 12.596 1.00 0.00 C ATOM 151 C ALA A 10 22.462 6.106 12.845 1.00 0.00 C ATOM 152 O ALA A 10 22.919 5.772 13.937 1.00 0.00 O ATOM 153 CB ALA A 10 20.878 7.921 13.518 1.00 0.00 C ATOM 0 H ALA A 10 20.763 7.340 10.937 1.00 0.00 H new ATOM 0 HA ALA A 10 22.882 8.192 12.812 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.173 7.755 14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.624 8.972 13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.010 7.304 13.285 1.00 0.00 H new ATOM 159 N GLY A 11 22.315 5.257 11.835 1.00 0.00 N ATOM 160 CA GLY A 11 22.722 3.869 11.968 1.00 0.00 C ATOM 161 C GLY A 11 21.615 2.963 12.482 1.00 0.00 C ATOM 162 O GLY A 11 21.885 1.918 13.076 1.00 0.00 O ATOM 0 H GLY A 11 21.922 5.504 10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.061 3.503 10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.573 3.811 12.646 1.00 0.00 H new ATOM 166 N CYS A 12 20.369 3.361 12.262 1.00 0.00 N ATOM 167 CA CYS A 12 19.228 2.540 12.653 1.00 0.00 C ATOM 168 C CYS A 12 18.733 1.736 11.447 1.00 0.00 C ATOM 169 O CYS A 12 19.159 1.999 10.322 1.00 0.00 O ATOM 170 CB CYS A 12 18.112 3.426 13.221 1.00 0.00 C ATOM 171 SG CYS A 12 17.444 4.638 12.055 1.00 0.00 S ATOM 0 H CYS A 12 20.122 4.245 11.816 1.00 0.00 H new ATOM 0 HA CYS A 12 19.533 1.841 13.431 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.299 2.787 13.566 1.00 0.00 H new ATOM 0 HB3 CYS A 12 18.495 3.954 14.094 1.00 0.00 H new ATOM 0 HG CYS A 12 16.509 5.330 12.636 1.00 0.00 H new ATOM 177 N PRO A 13 17.841 0.740 11.653 1.00 0.00 N ATOM 178 CA PRO A 13 17.308 -0.089 10.560 1.00 0.00 C ATOM 179 C PRO A 13 16.784 0.740 9.389 1.00 0.00 C ATOM 180 O PRO A 13 16.997 0.393 8.228 1.00 0.00 O ATOM 181 CB PRO A 13 16.165 -0.856 11.223 1.00 0.00 C ATOM 182 CG PRO A 13 16.562 -0.952 12.653 1.00 0.00 C ATOM 183 CD PRO A 13 17.300 0.321 12.963 1.00 0.00 C ATOM 0 HA PRO A 13 18.078 -0.727 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.216 -0.332 11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.039 -1.843 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.688 -1.063 13.294 1.00 0.00 H new ATOM 0 HG3 PRO A 13 17.195 -1.822 12.825 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.636 1.077 13.382 1.00 0.00 H new ATOM 0 HD3 PRO A 13 18.095 0.156 13.690 1.00 0.00 H new ATOM 191 N VAL A 14 16.118 1.849 9.703 1.00 0.00 N ATOM 192 CA VAL A 14 15.572 2.738 8.682 1.00 0.00 C ATOM 193 C VAL A 14 16.693 3.316 7.813 1.00 0.00 C ATOM 194 O VAL A 14 16.530 3.504 6.608 1.00 0.00 O ATOM 195 CB VAL A 14 14.769 3.897 9.316 1.00 0.00 C ATOM 196 CG1 VAL A 14 14.096 4.746 8.244 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.740 3.359 10.301 1.00 0.00 C ATOM 0 H VAL A 14 15.943 2.154 10.661 1.00 0.00 H new ATOM 0 HA VAL A 14 14.900 2.145 8.061 1.00 0.00 H new ATOM 0 HB VAL A 14 15.466 4.534 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.538 5.554 8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.854 5.167 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.414 4.125 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.185 4.189 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.050 2.695 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.247 2.807 11.092 1.00 0.00 H new ATOM 207 N CYS A 15 17.837 3.569 8.436 1.00 0.00 N ATOM 208 CA CYS A 15 18.990 4.115 7.735 1.00 0.00 C ATOM 209 C CYS A 15 19.576 3.080 6.783 1.00 0.00 C ATOM 210 O CYS A 15 19.974 3.405 5.664 1.00 0.00 O ATOM 211 CB CYS A 15 20.054 4.558 8.736 1.00 0.00 C ATOM 212 SG CYS A 15 19.495 5.830 9.894 1.00 0.00 S ATOM 0 H CYS A 15 17.990 3.403 9.431 1.00 0.00 H new ATOM 0 HA CYS A 15 18.663 4.979 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.389 3.689 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.918 4.935 8.189 1.00 0.00 H new ATOM 0 HG CYS A 15 18.650 5.311 10.735 1.00 0.00 H new ATOM 218 N VAL A 16 19.617 1.834 7.239 1.00 0.00 N ATOM 219 CA VAL A 16 20.123 0.736 6.428 1.00 0.00 C ATOM 220 C VAL A 16 19.265 0.564 5.179 1.00 0.00 C ATOM 221 O VAL A 16 19.783 0.419 4.073 1.00 0.00 O ATOM 222 CB VAL A 16 20.150 -0.587 7.221 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.784 -1.703 6.402 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.885 -0.406 8.539 1.00 0.00 C ATOM 0 H VAL A 16 19.304 1.559 8.170 1.00 0.00 H new ATOM 0 HA VAL A 16 21.145 0.983 6.139 1.00 0.00 H new ATOM 0 HB VAL A 16 19.120 -0.871 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.790 -2.624 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.209 -1.856 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.807 -1.430 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.893 -1.350 9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.910 -0.091 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.380 0.353 9.136 1.00 0.00 H new ATOM 234 N SER A 17 17.952 0.609 5.366 1.00 0.00 N ATOM 235 CA SER A 17 17.012 0.487 4.261 1.00 0.00 C ATOM 236 C SER A 17 17.212 1.620 3.254 1.00 0.00 C ATOM 237 O SER A 17 17.272 1.389 2.045 1.00 0.00 O ATOM 238 CB SER A 17 15.585 0.502 4.802 1.00 0.00 C ATOM 239 OG SER A 17 15.460 -0.389 5.897 1.00 0.00 O ATOM 0 H SER A 17 17.513 0.730 6.279 1.00 0.00 H new ATOM 0 HA SER A 17 17.191 -0.457 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.319 1.512 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.888 0.219 4.013 1.00 0.00 H new ATOM 0 HG SER A 17 15.870 0.010 6.692 1.00 0.00 H new ATOM 245 N ALA A 18 17.338 2.841 3.763 1.00 0.00 N ATOM 246 CA ALA A 18 17.553 4.004 2.913 1.00 0.00 C ATOM 247 C ALA A 18 18.859 3.873 2.131 1.00 0.00 C ATOM 248 O ALA A 18 18.930 4.236 0.960 1.00 0.00 O ATOM 249 CB ALA A 18 17.554 5.275 3.748 1.00 0.00 C ATOM 0 H ALA A 18 17.295 3.050 4.760 1.00 0.00 H new ATOM 0 HA ALA A 18 16.735 4.060 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.716 6.136 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.595 5.378 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.352 5.223 4.488 1.00 0.00 H new ATOM 255 N GLU A 19 19.882 3.339 2.784 1.00 0.00 N ATOM 256 CA GLU A 19 21.169 3.107 2.143 1.00 0.00 C ATOM 257 C GLU A 19 21.051 2.049 1.045 1.00 0.00 C ATOM 258 O GLU A 19 21.514 2.248 -0.077 1.00 0.00 O ATOM 259 CB GLU A 19 22.197 2.666 3.191 1.00 0.00 C ATOM 260 CG GLU A 19 23.519 2.205 2.599 1.00 0.00 C ATOM 261 CD GLU A 19 24.502 1.745 3.654 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.200 0.768 4.375 1.00 0.00 O ATOM 263 OE2 GLU A 19 25.579 2.366 3.775 1.00 0.00 O ATOM 0 H GLU A 19 19.845 3.057 3.763 1.00 0.00 H new ATOM 0 HA GLU A 19 21.498 4.038 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.385 3.495 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.773 1.855 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.335 1.390 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.961 3.021 2.028 1.00 0.00 H new ATOM 270 N GLN A 20 20.401 0.942 1.367 1.00 0.00 N ATOM 271 CA GLN A 20 20.341 -0.203 0.468 1.00 0.00 C ATOM 272 C GLN A 20 19.293 -0.021 -0.630 1.00 0.00 C ATOM 273 O GLN A 20 19.167 -0.869 -1.516 1.00 0.00 O ATOM 274 CB GLN A 20 20.057 -1.477 1.265 1.00 0.00 C ATOM 275 CG GLN A 20 21.114 -1.776 2.316 1.00 0.00 C ATOM 276 CD GLN A 20 22.503 -1.918 1.726 1.00 0.00 C ATOM 277 OE1 GLN A 20 22.666 -2.373 0.594 1.00 0.00 O ATOM 278 NE2 GLN A 20 23.508 -1.505 2.478 1.00 0.00 N ATOM 0 H GLN A 20 19.905 0.810 2.248 1.00 0.00 H new ATOM 0 HA GLN A 20 21.311 -0.287 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.086 -1.384 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.989 -2.320 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.119 -0.977 3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.850 -2.695 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.328 -1.134 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.464 -1.557 2.125 1.00 0.00 H new ATOM 287 N ALA A 21 18.540 1.068 -0.573 1.00 0.00 N ATOM 288 CA ALA A 21 17.547 1.346 -1.601 1.00 0.00 C ATOM 289 C ALA A 21 17.762 2.722 -2.228 1.00 0.00 C ATOM 290 O ALA A 21 18.097 2.828 -3.405 1.00 0.00 O ATOM 291 CB ALA A 21 16.145 1.233 -1.027 1.00 0.00 C ATOM 0 H ALA A 21 18.596 1.768 0.167 1.00 0.00 H new ATOM 0 HA ALA A 21 17.664 0.602 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.414 1.444 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.988 0.224 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.025 1.950 -0.215 1.00 0.00 H new ATOM 297 N VAL A 22 17.585 3.773 -1.435 1.00 0.00 N ATOM 298 CA VAL A 22 17.698 5.141 -1.939 1.00 0.00 C ATOM 299 C VAL A 22 19.119 5.435 -2.411 1.00 0.00 C ATOM 300 O VAL A 22 19.325 5.934 -3.517 1.00 0.00 O ATOM 301 CB VAL A 22 17.294 6.180 -0.868 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.375 7.594 -1.428 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.898 5.895 -0.338 1.00 0.00 C ATOM 0 H VAL A 22 17.363 3.706 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 22 17.012 5.223 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 22 17.997 6.100 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.086 8.308 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.396 7.800 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.701 7.687 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.636 6.639 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.181 5.940 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.875 4.902 0.110 1.00 0.00 H new ATOM 313 N ALA A 23 20.098 5.090 -1.581 1.00 0.00 N ATOM 314 CA ALA A 23 21.501 5.344 -1.901 1.00 0.00 C ATOM 315 C ALA A 23 22.038 4.313 -2.892 1.00 0.00 C ATOM 316 O ALA A 23 23.221 4.311 -3.222 1.00 0.00 O ATOM 317 CB ALA A 23 22.339 5.353 -0.630 1.00 0.00 C ATOM 0 H ALA A 23 19.947 4.634 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 23 21.569 6.325 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.382 5.543 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.979 6.136 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.257 4.386 -0.133 1.00 0.00 H new ATOM 323 N ASN A 24 21.163 3.428 -3.346 1.00 0.00 N ATOM 324 CA ASN A 24 21.518 2.454 -4.369 1.00 0.00 C ATOM 325 C ASN A 24 20.871 2.848 -5.694 1.00 0.00 C ATOM 326 O ASN A 24 21.384 2.548 -6.772 1.00 0.00 O ATOM 327 CB ASN A 24 21.074 1.049 -3.947 1.00 0.00 C ATOM 328 CG ASN A 24 21.554 -0.034 -4.896 1.00 0.00 C ATOM 329 OD1 ASN A 24 20.862 -0.406 -5.845 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.746 -0.555 -4.643 1.00 0.00 N ATOM 0 H ASN A 24 20.198 3.364 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 24 22.601 2.442 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.451 0.840 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.986 1.019 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.119 -1.290 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.290 -0.221 -3.848 1.00 0.00 H new ATOM 337 N ALA A 25 19.735 3.530 -5.595 1.00 0.00 N ATOM 338 CA ALA A 25 19.054 4.061 -6.765 1.00 0.00 C ATOM 339 C ALA A 25 19.821 5.252 -7.320 1.00 0.00 C ATOM 340 O ALA A 25 19.869 5.469 -8.531 1.00 0.00 O ATOM 341 CB ALA A 25 17.628 4.459 -6.419 1.00 0.00 C ATOM 0 H ALA A 25 19.266 3.728 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 25 19.015 3.284 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.135 4.854 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.084 3.586 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.642 5.223 -5.642 1.00 0.00 H new ATOM 347 N ILE A 26 20.410 6.022 -6.418 1.00 0.00 N ATOM 348 CA ILE A 26 21.272 7.129 -6.794 1.00 0.00 C ATOM 349 C ILE A 26 22.724 6.724 -6.579 1.00 0.00 C ATOM 350 O ILE A 26 23.258 6.854 -5.478 1.00 0.00 O ATOM 351 CB ILE A 26 20.966 8.398 -5.968 1.00 0.00 C ATOM 352 CG1 ILE A 26 19.477 8.744 -6.051 1.00 0.00 C ATOM 353 CG2 ILE A 26 21.810 9.566 -6.461 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.070 9.897 -5.157 1.00 0.00 C ATOM 0 H ILE A 26 20.304 5.897 -5.411 1.00 0.00 H new ATOM 0 HA ILE A 26 21.090 7.361 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 26 21.218 8.202 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.227 8.990 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 26 18.893 7.864 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 26 21.584 10.453 -5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 26 22.867 9.321 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.584 9.761 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.002 10.085 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 26 19.288 9.647 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.627 10.790 -5.439 1.00 0.00 H new ATOM 366 N ASP A 27 23.346 6.196 -7.621 1.00 0.00 N ATOM 367 CA ASP A 27 24.706 5.690 -7.515 1.00 0.00 C ATOM 368 C ASP A 27 25.716 6.761 -7.926 1.00 0.00 C ATOM 369 O ASP A 27 25.402 7.654 -8.723 1.00 0.00 O ATOM 370 CB ASP A 27 24.876 4.423 -8.364 1.00 0.00 C ATOM 371 CG ASP A 27 24.827 4.689 -9.853 1.00 0.00 C ATOM 372 OD1 ASP A 27 23.759 5.085 -10.360 1.00 0.00 O ATOM 373 OD2 ASP A 27 25.850 4.465 -10.528 1.00 0.00 O ATOM 0 H ASP A 27 22.932 6.107 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 27 24.896 5.431 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 27 25.828 3.954 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.093 3.711 -8.103 1.00 0.00 H new ATOM 378 N PRO A 28 26.952 6.671 -7.391 1.00 0.00 N ATOM 379 CA PRO A 28 27.997 7.694 -7.572 1.00 0.00 C ATOM 380 C PRO A 28 28.377 7.955 -9.029 1.00 0.00 C ATOM 381 O PRO A 28 29.045 8.949 -9.327 1.00 0.00 O ATOM 382 CB PRO A 28 29.202 7.129 -6.808 1.00 0.00 C ATOM 383 CG PRO A 28 28.917 5.678 -6.645 1.00 0.00 C ATOM 384 CD PRO A 28 27.426 5.561 -6.548 1.00 0.00 C ATOM 0 HA PRO A 28 27.645 8.661 -7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 28 30.128 7.288 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.319 7.618 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 28 29.299 5.107 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 28 29.399 5.283 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 28 27.072 4.597 -6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 28 27.079 5.659 -5.519 1.00 0.00 H new ATOM 392 N SER A 29 27.959 7.076 -9.930 1.00 0.00 N ATOM 393 CA SER A 29 28.263 7.240 -11.343 1.00 0.00 C ATOM 394 C SER A 29 27.481 8.418 -11.916 1.00 0.00 C ATOM 395 O SER A 29 27.963 9.130 -12.799 1.00 0.00 O ATOM 396 CB SER A 29 27.919 5.963 -12.105 1.00 0.00 C ATOM 397 OG SER A 29 28.263 4.816 -11.345 1.00 0.00 O ATOM 0 H SER A 29 27.410 6.245 -9.708 1.00 0.00 H new ATOM 0 HA SER A 29 29.329 7.440 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.854 5.947 -12.335 1.00 0.00 H new ATOM 0 HB3 SER A 29 28.450 5.947 -13.057 1.00 0.00 H new ATOM 0 HG SER A 29 27.448 4.330 -11.099 1.00 0.00 H new ATOM 403 N LYS A 30 26.276 8.623 -11.399 1.00 0.00 N ATOM 404 CA LYS A 30 25.440 9.731 -11.831 1.00 0.00 C ATOM 405 C LYS A 30 25.522 10.865 -10.814 1.00 0.00 C ATOM 406 O LYS A 30 25.723 12.025 -11.173 1.00 0.00 O ATOM 407 CB LYS A 30 23.991 9.266 -12.004 1.00 0.00 C ATOM 408 CG LYS A 30 23.103 10.276 -12.713 1.00 0.00 C ATOM 409 CD LYS A 30 21.660 9.800 -12.779 1.00 0.00 C ATOM 410 CE LYS A 30 20.772 10.795 -13.511 1.00 0.00 C ATOM 411 NZ LYS A 30 21.088 10.869 -14.964 1.00 0.00 N ATOM 0 H LYS A 30 25.857 8.034 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 30 25.799 10.096 -12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.984 8.332 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.569 9.051 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.148 11.232 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.478 10.446 -13.722 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.618 8.835 -13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.280 9.648 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.728 10.510 -13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.891 11.782 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.425 11.521 -15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.061 11.215 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.999 9.923 -15.387 1.00 0.00 H new ATOM 425 N TYR A 31 25.376 10.518 -9.540 1.00 0.00 N ATOM 426 CA TYR A 31 25.503 11.482 -8.454 1.00 0.00 C ATOM 427 C TYR A 31 26.325 10.876 -7.327 1.00 0.00 C ATOM 428 O TYR A 31 26.001 9.806 -6.821 1.00 0.00 O ATOM 429 CB TYR A 31 24.128 11.905 -7.929 1.00 0.00 C ATOM 430 CG TYR A 31 23.295 12.663 -8.938 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.527 14.007 -9.187 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.276 12.033 -9.639 1.00 0.00 C ATOM 433 CE1 TYR A 31 22.770 14.705 -10.107 1.00 0.00 C ATOM 434 CE2 TYR A 31 21.516 12.725 -10.562 1.00 0.00 C ATOM 435 CZ TYR A 31 21.766 14.058 -10.792 1.00 0.00 C ATOM 436 OH TYR A 31 21.008 14.748 -11.712 1.00 0.00 O ATOM 0 H TYR A 31 25.168 9.568 -9.233 1.00 0.00 H new ATOM 0 HA TYR A 31 26.006 12.369 -8.838 1.00 0.00 H new ATOM 0 HB2 TYR A 31 23.581 11.016 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.263 12.526 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 31 24.314 14.517 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.074 10.987 -9.460 1.00 0.00 H new ATOM 0 HE1 TYR A 31 22.964 15.752 -10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 31 20.728 12.221 -11.101 1.00 0.00 H new ATOM 0 HH TYR A 31 20.344 14.145 -12.107 1.00 0.00 H new ATOM 446 N THR A 32 27.386 11.557 -6.935 1.00 0.00 N ATOM 447 CA THR A 32 28.312 11.015 -5.955 1.00 0.00 C ATOM 448 C THR A 32 27.785 11.216 -4.531 1.00 0.00 C ATOM 449 O THR A 32 27.492 12.339 -4.114 1.00 0.00 O ATOM 450 CB THR A 32 29.699 11.652 -6.124 1.00 0.00 C ATOM 451 OG1 THR A 32 30.075 11.582 -7.507 1.00 0.00 O ATOM 452 CG2 THR A 32 30.739 10.931 -5.280 1.00 0.00 C ATOM 0 H THR A 32 27.629 12.486 -7.279 1.00 0.00 H new ATOM 0 HA THR A 32 28.403 9.942 -6.125 1.00 0.00 H new ATOM 0 HB THR A 32 29.652 12.690 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 30.959 11.988 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.711 11.403 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.456 10.986 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 32 30.796 9.886 -5.586 1.00 0.00 H new ATOM 460 N VAL A 33 27.666 10.114 -3.799 1.00 0.00 N ATOM 461 CA VAL A 33 27.036 10.124 -2.487 1.00 0.00 C ATOM 462 C VAL A 33 28.070 10.081 -1.360 1.00 0.00 C ATOM 463 O VAL A 33 29.037 9.316 -1.411 1.00 0.00 O ATOM 464 CB VAL A 33 26.066 8.929 -2.337 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.307 8.994 -1.019 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.095 8.879 -3.509 1.00 0.00 C ATOM 0 H VAL A 33 28.001 9.197 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 33 26.479 11.058 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 33 26.660 8.015 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.634 8.140 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 33 26.015 8.972 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.728 9.917 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.420 8.032 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.516 9.802 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.653 8.767 -4.439 1.00 0.00 H new ATOM 476 N GLU A 34 27.850 10.918 -0.354 1.00 0.00 N ATOM 477 CA GLU A 34 28.672 10.959 0.848 1.00 0.00 C ATOM 478 C GLU A 34 27.878 10.380 2.017 1.00 0.00 C ATOM 479 O GLU A 34 26.687 10.652 2.151 1.00 0.00 O ATOM 480 CB GLU A 34 29.080 12.407 1.149 1.00 0.00 C ATOM 481 CG GLU A 34 29.854 12.591 2.448 1.00 0.00 C ATOM 482 CD GLU A 34 31.228 11.958 2.417 1.00 0.00 C ATOM 483 OE1 GLU A 34 32.192 12.640 2.012 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.357 10.780 2.811 1.00 0.00 O ATOM 0 H GLU A 34 27.087 11.595 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 34 29.575 10.367 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.688 12.778 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.182 13.023 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.956 13.656 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.281 12.160 3.269 1.00 0.00 H new ATOM 491 N ILE A 35 28.526 9.586 2.854 1.00 0.00 N ATOM 492 CA ILE A 35 27.845 8.945 3.971 1.00 0.00 C ATOM 493 C ILE A 35 28.262 9.580 5.295 1.00 0.00 C ATOM 494 O ILE A 35 29.437 9.554 5.659 1.00 0.00 O ATOM 495 CB ILE A 35 28.148 7.429 4.011 1.00 0.00 C ATOM 496 CG1 ILE A 35 27.746 6.763 2.690 1.00 0.00 C ATOM 497 CG2 ILE A 35 27.431 6.764 5.177 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.274 6.900 2.353 1.00 0.00 C ATOM 0 H ILE A 35 29.520 9.369 2.783 1.00 0.00 H new ATOM 0 HA ILE A 35 26.774 9.087 3.826 1.00 0.00 H new ATOM 0 HB ILE A 35 29.222 7.303 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.335 7.197 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.000 5.704 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 27.659 5.698 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 35 27.764 7.213 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.355 6.904 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 35 26.070 6.403 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 35 25.676 6.440 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 35 26.016 7.956 2.272 1.00 0.00 H new ATOM 510 N VAL A 36 27.301 10.157 6.005 1.00 0.00 N ATOM 511 CA VAL A 36 27.572 10.775 7.297 1.00 0.00 C ATOM 512 C VAL A 36 26.852 10.023 8.413 1.00 0.00 C ATOM 513 O VAL A 36 25.629 9.873 8.387 1.00 0.00 O ATOM 514 CB VAL A 36 27.146 12.259 7.326 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.482 12.890 8.670 1.00 0.00 C ATOM 516 CG2 VAL A 36 27.812 13.027 6.195 1.00 0.00 C ATOM 0 H VAL A 36 26.327 10.210 5.708 1.00 0.00 H new ATOM 0 HA VAL A 36 28.649 10.724 7.454 1.00 0.00 H new ATOM 0 HB VAL A 36 26.066 12.307 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.173 13.935 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.957 12.358 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.557 12.829 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.500 14.071 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 36 28.895 12.968 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.519 12.594 5.239 1.00 0.00 H new ATOM 526 N HIS A 37 27.618 9.563 9.391 1.00 0.00 N ATOM 527 CA HIS A 37 27.072 8.793 10.501 1.00 0.00 C ATOM 528 C HIS A 37 26.881 9.695 11.720 1.00 0.00 C ATOM 529 O HIS A 37 27.850 10.208 12.286 1.00 0.00 O ATOM 530 CB HIS A 37 28.013 7.636 10.846 1.00 0.00 C ATOM 531 CG HIS A 37 27.349 6.502 11.568 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.934 6.614 12.873 1.00 0.00 N ATOM 533 CD2 HIS A 37 27.066 5.258 11.120 1.00 0.00 C ATOM 534 CE1 HIS A 37 26.412 5.442 13.188 1.00 0.00 C ATOM 535 NE2 HIS A 37 26.471 4.590 12.156 1.00 0.00 N ATOM 0 H HIS A 37 28.626 9.710 9.439 1.00 0.00 H new ATOM 0 HA HIS A 37 26.104 8.387 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 37 28.457 7.256 9.926 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.829 8.016 11.461 1.00 0.00 H new ATOM 0 HD2 HIS A 37 27.270 4.867 10.134 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.992 5.202 14.153 1.00 0.00 H new ATOM 0 HE2 HIS A 37 26.136 3.627 12.144 1.00 0.00 H new ATOM 543 N LEU A 38 25.631 9.894 12.112 1.00 0.00 N ATOM 544 CA LEU A 38 25.307 10.769 13.234 1.00 0.00 C ATOM 545 C LEU A 38 25.327 10.008 14.556 1.00 0.00 C ATOM 546 O LEU A 38 25.271 10.607 15.630 1.00 0.00 O ATOM 547 CB LEU A 38 23.929 11.404 13.027 1.00 0.00 C ATOM 548 CG LEU A 38 23.788 12.267 11.771 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.382 12.826 11.666 1.00 0.00 C ATOM 550 CD2 LEU A 38 24.803 13.396 11.783 1.00 0.00 C ATOM 0 H LEU A 38 24.821 9.461 11.669 1.00 0.00 H new ATOM 0 HA LEU A 38 26.066 11.550 13.277 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.184 10.610 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.696 12.017 13.897 1.00 0.00 H new ATOM 0 HG LEU A 38 23.979 11.639 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.300 13.437 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.667 12.005 11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.168 13.438 12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.687 13.999 10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.641 14.021 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.810 12.980 11.814 1.00 0.00 H new ATOM 562 N GLY A 39 25.426 8.689 14.476 1.00 0.00 N ATOM 563 CA GLY A 39 25.389 7.870 15.672 1.00 0.00 C ATOM 564 C GLY A 39 26.773 7.589 16.220 1.00 0.00 C ATOM 565 O GLY A 39 27.062 6.478 16.661 1.00 0.00 O ATOM 0 H GLY A 39 25.531 8.170 13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.794 8.372 16.435 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.891 6.927 15.448 1.00 0.00 H new ATOM 569 N THR A 40 27.638 8.594 16.174 1.00 0.00 N ATOM 570 CA THR A 40 28.995 8.467 16.684 1.00 0.00 C ATOM 571 C THR A 40 29.519 9.826 17.141 1.00 0.00 C ATOM 572 O THR A 40 29.701 10.059 18.337 1.00 0.00 O ATOM 573 CB THR A 40 29.948 7.865 15.625 1.00 0.00 C ATOM 574 OG1 THR A 40 29.449 6.594 15.187 1.00 0.00 O ATOM 575 CG2 THR A 40 31.354 7.693 16.185 1.00 0.00 C ATOM 0 H THR A 40 27.421 9.512 15.786 1.00 0.00 H new ATOM 0 HA THR A 40 28.964 7.787 17.535 1.00 0.00 H new ATOM 0 HB THR A 40 29.994 8.554 14.782 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.735 6.732 14.530 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.002 7.268 15.418 1.00 0.00 H new ATOM 0 HG22 THR A 40 31.744 8.663 16.493 1.00 0.00 H new ATOM 0 HG23 THR A 40 31.324 7.025 17.046 1.00 0.00 H new ATOM 583 N ASP A 41 29.739 10.728 16.193 1.00 0.00 N ATOM 584 CA ASP A 41 30.229 12.064 16.515 1.00 0.00 C ATOM 585 C ASP A 41 29.069 13.018 16.769 1.00 0.00 C ATOM 586 O ASP A 41 28.082 13.022 16.035 1.00 0.00 O ATOM 587 CB ASP A 41 31.118 12.604 15.392 1.00 0.00 C ATOM 588 CG ASP A 41 31.450 14.074 15.574 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.820 14.471 16.699 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.311 14.841 14.605 1.00 0.00 O ATOM 0 H ASP A 41 29.587 10.561 15.198 1.00 0.00 H new ATOM 0 HA ASP A 41 30.825 11.991 17.424 1.00 0.00 H new ATOM 0 HB2 ASP A 41 32.042 12.027 15.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.616 12.463 14.435 1.00 0.00 H new ATOM 595 N LYS A 42 29.200 13.825 17.811 1.00 0.00 N ATOM 596 CA LYS A 42 28.152 14.757 18.199 1.00 0.00 C ATOM 597 C LYS A 42 28.232 16.044 17.385 1.00 0.00 C ATOM 598 O LYS A 42 27.234 16.748 17.225 1.00 0.00 O ATOM 599 CB LYS A 42 28.251 15.070 19.691 1.00 0.00 C ATOM 600 CG LYS A 42 28.054 13.852 20.577 1.00 0.00 C ATOM 601 CD LYS A 42 28.155 14.213 22.047 1.00 0.00 C ATOM 602 CE LYS A 42 27.880 13.011 22.936 1.00 0.00 C ATOM 603 NZ LYS A 42 27.929 13.363 24.378 1.00 0.00 N ATOM 0 H LYS A 42 30.028 13.853 18.407 1.00 0.00 H new ATOM 0 HA LYS A 42 27.189 14.288 17.996 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.228 15.507 19.899 1.00 0.00 H new ATOM 0 HB3 LYS A 42 27.504 15.821 19.947 1.00 0.00 H new ATOM 0 HG2 LYS A 42 27.079 13.408 20.376 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.803 13.099 20.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.150 14.604 22.259 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.445 15.007 22.277 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.900 12.600 22.696 1.00 0.00 H new ATOM 0 HE3 LYS A 42 28.612 12.231 22.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.736 12.515 24.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 28.872 13.732 24.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.213 14.089 24.583 1.00 0.00 H new ATOM 617 N ALA A 43 29.415 16.341 16.855 1.00 0.00 N ATOM 618 CA ALA A 43 29.602 17.544 16.052 1.00 0.00 C ATOM 619 C ALA A 43 28.873 17.404 14.721 1.00 0.00 C ATOM 620 O ALA A 43 28.420 18.391 14.143 1.00 0.00 O ATOM 621 CB ALA A 43 31.080 17.826 15.836 1.00 0.00 C ATOM 0 H ALA A 43 30.253 15.770 16.966 1.00 0.00 H new ATOM 0 HA ALA A 43 29.178 18.391 16.591 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.194 18.728 15.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.568 17.969 16.800 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.539 16.984 15.318 1.00 0.00 H new ATOM 627 N ARG A 44 28.758 16.163 14.251 1.00 0.00 N ATOM 628 CA ARG A 44 27.967 15.850 13.063 1.00 0.00 C ATOM 629 C ARG A 44 26.554 16.417 13.208 1.00 0.00 C ATOM 630 O ARG A 44 25.994 16.973 12.261 1.00 0.00 O ATOM 631 CB ARG A 44 27.872 14.335 12.863 1.00 0.00 C ATOM 632 CG ARG A 44 29.203 13.608 12.740 1.00 0.00 C ATOM 633 CD ARG A 44 29.815 13.724 11.351 1.00 0.00 C ATOM 634 NE ARG A 44 30.448 15.019 11.108 1.00 0.00 N ATOM 635 CZ ARG A 44 31.580 15.170 10.419 1.00 0.00 C ATOM 636 NH1 ARG A 44 32.231 14.109 9.959 1.00 0.00 N ATOM 637 NH2 ARG A 44 32.068 16.380 10.208 1.00 0.00 N ATOM 0 H ARG A 44 29.206 15.353 14.679 1.00 0.00 H new ATOM 0 HA ARG A 44 28.460 16.299 12.201 1.00 0.00 H new ATOM 0 HB2 ARG A 44 27.321 13.909 13.701 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.287 14.140 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.901 14.011 13.474 1.00 0.00 H new ATOM 0 HG3 ARG A 44 29.060 12.555 12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 44 30.555 12.935 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.038 13.560 10.604 1.00 0.00 H new ATOM 0 HE ARG A 44 29.999 15.853 11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.866 13.172 10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 44 33.096 14.230 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.579 17.198 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 44 32.934 16.496 9.681 1.00 0.00 H new ATOM 651 N ILE A 45 25.992 16.271 14.408 1.00 0.00 N ATOM 652 CA ILE A 45 24.650 16.760 14.707 1.00 0.00 C ATOM 653 C ILE A 45 24.600 18.282 14.615 1.00 0.00 C ATOM 654 O ILE A 45 23.690 18.847 14.010 1.00 0.00 O ATOM 655 CB ILE A 45 24.193 16.322 16.119 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.225 14.795 16.237 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.795 16.853 16.421 1.00 0.00 C ATOM 658 CD1 ILE A 45 23.866 14.282 17.617 1.00 0.00 C ATOM 0 H ILE A 45 26.453 15.813 15.194 1.00 0.00 H new ATOM 0 HA ILE A 45 23.975 16.327 13.969 1.00 0.00 H new ATOM 0 HB ILE A 45 24.882 16.742 16.851 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.534 14.369 15.510 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.222 14.440 15.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.492 16.534 17.418 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.802 17.942 16.375 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.091 16.463 15.686 1.00 0.00 H new ATOM 0 HD11 ILE A 45 23.910 13.193 17.623 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.572 14.678 18.347 1.00 0.00 H new ATOM 0 HD13 ILE A 45 22.857 14.606 17.874 1.00 0.00 H new ATOM 670 N ALA A 46 25.600 18.935 15.199 1.00 0.00 N ATOM 671 CA ALA A 46 25.692 20.390 15.169 1.00 0.00 C ATOM 672 C ALA A 46 25.741 20.897 13.732 1.00 0.00 C ATOM 673 O ALA A 46 25.077 21.873 13.384 1.00 0.00 O ATOM 674 CB ALA A 46 26.917 20.858 15.937 1.00 0.00 C ATOM 0 H ALA A 46 26.361 18.477 15.701 1.00 0.00 H new ATOM 0 HA ALA A 46 24.802 20.800 15.647 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.972 21.946 15.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.845 20.528 16.973 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.814 20.436 15.484 1.00 0.00 H new ATOM 680 N GLU A 47 26.529 20.218 12.904 1.00 0.00 N ATOM 681 CA GLU A 47 26.629 20.545 11.484 1.00 0.00 C ATOM 682 C GLU A 47 25.280 20.383 10.794 1.00 0.00 C ATOM 683 O GLU A 47 24.889 21.205 9.965 1.00 0.00 O ATOM 684 CB GLU A 47 27.654 19.639 10.810 1.00 0.00 C ATOM 685 CG GLU A 47 29.067 19.819 11.326 1.00 0.00 C ATOM 686 CD GLU A 47 29.998 18.749 10.807 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.043 18.541 9.577 1.00 0.00 O ATOM 688 OE2 GLU A 47 30.690 18.106 11.624 1.00 0.00 O ATOM 0 H GLU A 47 27.112 19.433 13.194 1.00 0.00 H new ATOM 0 HA GLU A 47 26.946 21.584 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 47 27.355 18.600 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.643 19.830 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.440 20.799 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 47 29.061 19.797 12.416 1.00 0.00 H new ATOM 695 N ALA A 48 24.568 19.324 11.153 1.00 0.00 N ATOM 696 CA ALA A 48 23.257 19.052 10.583 1.00 0.00 C ATOM 697 C ALA A 48 22.273 20.166 10.927 1.00 0.00 C ATOM 698 O ALA A 48 21.407 20.513 10.122 1.00 0.00 O ATOM 699 CB ALA A 48 22.742 17.705 11.067 1.00 0.00 C ATOM 0 H ALA A 48 24.879 18.637 11.840 1.00 0.00 H new ATOM 0 HA ALA A 48 23.353 19.015 9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.760 17.514 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.433 16.920 10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.663 17.715 12.154 1.00 0.00 H new ATOM 705 N GLU A 49 22.421 20.741 12.117 1.00 0.00 N ATOM 706 CA GLU A 49 21.568 21.846 12.544 1.00 0.00 C ATOM 707 C GLU A 49 21.960 23.144 11.844 1.00 0.00 C ATOM 708 O GLU A 49 21.219 24.125 11.871 1.00 0.00 O ATOM 709 CB GLU A 49 21.634 22.038 14.060 1.00 0.00 C ATOM 710 CG GLU A 49 21.188 20.820 14.849 1.00 0.00 C ATOM 711 CD GLU A 49 20.950 21.136 16.309 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.907 21.072 17.108 1.00 0.00 O ATOM 713 OE2 GLU A 49 19.797 21.460 16.666 1.00 0.00 O ATOM 0 H GLU A 49 23.123 20.461 12.802 1.00 0.00 H new ATOM 0 HA GLU A 49 20.545 21.592 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.657 22.288 14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.010 22.888 14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.272 20.422 14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.945 20.040 14.767 1.00 0.00 H new ATOM 720 N LYS A 50 23.135 23.150 11.231 1.00 0.00 N ATOM 721 CA LYS A 50 23.589 24.299 10.458 1.00 0.00 C ATOM 722 C LYS A 50 23.053 24.208 9.035 1.00 0.00 C ATOM 723 O LYS A 50 22.660 25.212 8.438 1.00 0.00 O ATOM 724 CB LYS A 50 25.119 24.367 10.441 1.00 0.00 C ATOM 725 CG LYS A 50 25.741 24.543 11.818 1.00 0.00 C ATOM 726 CD LYS A 50 27.256 24.434 11.767 1.00 0.00 C ATOM 727 CE LYS A 50 27.877 24.602 13.148 1.00 0.00 C ATOM 728 NZ LYS A 50 27.667 25.971 13.691 1.00 0.00 N ATOM 0 H LYS A 50 23.793 22.371 11.254 1.00 0.00 H new ATOM 0 HA LYS A 50 23.210 25.207 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.509 23.454 9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.430 25.195 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.459 25.515 12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.344 23.788 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.538 23.465 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.654 25.193 11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.445 23.871 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.946 24.394 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.243 26.097 14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.948 26.674 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.663 26.100 13.928 1.00 0.00 H new ATOM 742 N ALA A 51 23.041 22.992 8.498 1.00 0.00 N ATOM 743 CA ALA A 51 22.499 22.747 7.168 1.00 0.00 C ATOM 744 C ALA A 51 20.977 22.841 7.184 1.00 0.00 C ATOM 745 O ALA A 51 20.360 23.295 6.220 1.00 0.00 O ATOM 746 CB ALA A 51 22.943 21.384 6.657 1.00 0.00 C ATOM 0 H ALA A 51 23.401 22.160 8.965 1.00 0.00 H new ATOM 0 HA ALA A 51 22.883 23.512 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.530 21.216 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.031 21.351 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.586 20.608 7.334 1.00 0.00 H new ATOM 752 N GLY A 52 20.377 22.410 8.285 1.00 0.00 N ATOM 753 CA GLY A 52 18.938 22.505 8.427 1.00 0.00 C ATOM 754 C GLY A 52 18.250 21.162 8.321 1.00 0.00 C ATOM 755 O GLY A 52 17.187 21.048 7.710 1.00 0.00 O ATOM 0 H GLY A 52 20.861 21.996 9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.701 22.955 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.545 23.172 7.659 1.00 0.00 H new ATOM 759 N VAL A 53 18.855 20.142 8.914 1.00 0.00 N ATOM 760 CA VAL A 53 18.264 18.813 8.936 1.00 0.00 C ATOM 761 C VAL A 53 17.224 18.728 10.048 1.00 0.00 C ATOM 762 O VAL A 53 17.475 19.159 11.170 1.00 0.00 O ATOM 763 CB VAL A 53 19.339 17.720 9.139 1.00 0.00 C ATOM 764 CG1 VAL A 53 18.711 16.335 9.165 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.399 17.804 8.051 1.00 0.00 C ATOM 0 H VAL A 53 19.756 20.211 9.387 1.00 0.00 H new ATOM 0 HA VAL A 53 17.786 18.641 7.972 1.00 0.00 H new ATOM 0 HB VAL A 53 19.817 17.893 10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.489 15.585 9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.994 16.276 9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.199 16.150 8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.147 17.027 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.932 17.663 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.879 18.782 8.085 1.00 0.00 H new ATOM 775 N LYS A 54 16.053 18.196 9.728 1.00 0.00 N ATOM 776 CA LYS A 54 14.965 18.104 10.694 1.00 0.00 C ATOM 777 C LYS A 54 14.842 16.688 11.251 1.00 0.00 C ATOM 778 O LYS A 54 14.571 16.494 12.438 1.00 0.00 O ATOM 779 CB LYS A 54 13.643 18.523 10.045 1.00 0.00 C ATOM 780 CG LYS A 54 13.632 19.962 9.559 1.00 0.00 C ATOM 781 CD LYS A 54 12.327 20.306 8.858 1.00 0.00 C ATOM 782 CE LYS A 54 12.291 21.764 8.426 1.00 0.00 C ATOM 783 NZ LYS A 54 12.230 22.693 9.587 1.00 0.00 N ATOM 0 H LYS A 54 15.831 17.821 8.806 1.00 0.00 H new ATOM 0 HA LYS A 54 15.191 18.780 11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.436 17.863 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.835 18.385 10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.779 20.633 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.466 20.122 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.202 19.664 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.490 20.103 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.177 21.987 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.426 21.930 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.037 23.658 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.471 22.393 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.139 22.678 10.092 1.00 0.00 H new ATOM 797 N SER A 55 15.030 15.699 10.393 1.00 0.00 N ATOM 798 CA SER A 55 14.898 14.310 10.802 1.00 0.00 C ATOM 799 C SER A 55 15.877 13.423 10.040 1.00 0.00 C ATOM 800 O SER A 55 16.488 13.853 9.064 1.00 0.00 O ATOM 801 CB SER A 55 13.461 13.835 10.569 1.00 0.00 C ATOM 802 OG SER A 55 12.538 14.651 11.275 1.00 0.00 O ATOM 0 H SER A 55 15.274 15.831 9.411 1.00 0.00 H new ATOM 0 HA SER A 55 15.132 14.238 11.864 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.234 13.860 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.359 12.799 10.893 1.00 0.00 H new ATOM 0 HG SER A 55 11.739 14.127 11.494 1.00 0.00 H new ATOM 808 N VAL A 56 16.038 12.197 10.506 1.00 0.00 N ATOM 809 CA VAL A 56 16.902 11.233 9.845 1.00 0.00 C ATOM 810 C VAL A 56 16.121 9.976 9.479 1.00 0.00 C ATOM 811 O VAL A 56 15.147 9.624 10.154 1.00 0.00 O ATOM 812 CB VAL A 56 18.119 10.853 10.719 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.026 12.056 10.925 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.675 10.284 12.060 1.00 0.00 C ATOM 0 H VAL A 56 15.579 11.843 11.345 1.00 0.00 H new ATOM 0 HA VAL A 56 17.274 11.707 8.937 1.00 0.00 H new ATOM 0 HB VAL A 56 18.681 10.080 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.877 11.769 11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.383 12.412 9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.469 12.851 11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.552 10.025 12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.082 11.028 12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.073 9.391 11.895 1.00 0.00 H new ATOM 824 N PRO A 57 16.532 9.277 8.406 1.00 0.00 N ATOM 825 CA PRO A 57 17.686 9.666 7.587 1.00 0.00 C ATOM 826 C PRO A 57 17.385 10.838 6.652 1.00 0.00 C ATOM 827 O PRO A 57 16.235 11.084 6.287 1.00 0.00 O ATOM 828 CB PRO A 57 17.985 8.398 6.787 1.00 0.00 C ATOM 829 CG PRO A 57 16.672 7.707 6.664 1.00 0.00 C ATOM 830 CD PRO A 57 15.896 8.042 7.911 1.00 0.00 C ATOM 0 HA PRO A 57 18.520 10.013 8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.400 8.637 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.716 7.771 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.139 8.041 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.808 6.630 6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.839 8.197 7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.956 7.240 8.646 1.00 0.00 H new ATOM 838 N ALA A 58 18.429 11.557 6.270 1.00 0.00 N ATOM 839 CA ALA A 58 18.289 12.714 5.408 1.00 0.00 C ATOM 840 C ALA A 58 19.177 12.578 4.180 1.00 0.00 C ATOM 841 O ALA A 58 20.195 11.886 4.212 1.00 0.00 O ATOM 842 CB ALA A 58 18.626 13.986 6.168 1.00 0.00 C ATOM 0 H ALA A 58 19.389 11.355 6.548 1.00 0.00 H new ATOM 0 HA ALA A 58 17.252 12.772 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.516 14.845 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.950 14.093 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.654 13.934 6.527 1.00 0.00 H new ATOM 848 N LEU A 59 18.792 13.245 3.109 1.00 0.00 N ATOM 849 CA LEU A 59 19.519 13.186 1.854 1.00 0.00 C ATOM 850 C LEU A 59 19.683 14.588 1.272 1.00 0.00 C ATOM 851 O LEU A 59 18.731 15.175 0.759 1.00 0.00 O ATOM 852 CB LEU A 59 18.778 12.280 0.863 1.00 0.00 C ATOM 853 CG LEU A 59 19.453 12.099 -0.497 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.792 11.392 -0.347 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.541 11.324 -1.437 1.00 0.00 C ATOM 0 H LEU A 59 17.966 13.843 3.084 1.00 0.00 H new ATOM 0 HA LEU A 59 20.510 12.770 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.652 11.298 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.780 12.687 0.702 1.00 0.00 H new ATOM 0 HG LEU A 59 19.638 13.085 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.253 11.275 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.446 11.984 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.637 10.410 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.033 11.202 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.328 10.343 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.608 11.871 -1.572 1.00 0.00 H new ATOM 867 N VAL A 60 20.885 15.129 1.381 1.00 0.00 N ATOM 868 CA VAL A 60 21.172 16.459 0.869 1.00 0.00 C ATOM 869 C VAL A 60 21.675 16.377 -0.570 1.00 0.00 C ATOM 870 O VAL A 60 22.798 15.949 -0.820 1.00 0.00 O ATOM 871 CB VAL A 60 22.222 17.186 1.739 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.480 18.593 1.216 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.781 17.227 3.195 1.00 0.00 C ATOM 0 H VAL A 60 21.680 14.666 1.821 1.00 0.00 H new ATOM 0 HA VAL A 60 20.243 17.029 0.900 1.00 0.00 H new ATOM 0 HB VAL A 60 23.155 16.626 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 23.222 19.084 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.850 18.538 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.552 19.164 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.535 17.743 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.832 17.757 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.660 16.210 3.567 1.00 0.00 H new ATOM 883 N ILE A 61 20.836 16.784 -1.510 1.00 0.00 N ATOM 884 CA ILE A 61 21.181 16.722 -2.922 1.00 0.00 C ATOM 885 C ILE A 61 21.781 18.045 -3.386 1.00 0.00 C ATOM 886 O ILE A 61 21.051 19.008 -3.633 1.00 0.00 O ATOM 887 CB ILE A 61 19.949 16.384 -3.795 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.344 15.041 -3.376 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.325 16.358 -5.274 1.00 0.00 C ATOM 890 CD1 ILE A 61 20.280 13.865 -3.563 1.00 0.00 C ATOM 0 H ILE A 61 19.908 17.162 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 61 21.917 15.927 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 61 19.202 17.163 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.050 15.097 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.436 14.866 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.444 16.118 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.708 17.335 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.092 15.602 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.782 12.949 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.555 13.782 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.178 14.016 -2.964 1.00 0.00 H new ATOM 902 N ASP A 62 23.115 18.096 -3.431 1.00 0.00 N ATOM 903 CA ASP A 62 23.870 19.244 -3.967 1.00 0.00 C ATOM 904 C ASP A 62 23.812 20.460 -3.038 1.00 0.00 C ATOM 905 O ASP A 62 24.689 21.324 -3.076 1.00 0.00 O ATOM 906 CB ASP A 62 23.362 19.618 -5.366 1.00 0.00 C ATOM 907 CG ASP A 62 24.213 20.678 -6.041 1.00 0.00 C ATOM 908 OD1 ASP A 62 25.308 20.339 -6.541 1.00 0.00 O ATOM 909 OD2 ASP A 62 23.777 21.849 -6.108 1.00 0.00 O ATOM 0 H ASP A 62 23.711 17.339 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 62 24.913 18.937 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.341 18.725 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.336 19.978 -5.290 1.00 0.00 H new ATOM 914 N GLY A 63 22.801 20.500 -2.188 1.00 0.00 N ATOM 915 CA GLY A 63 22.604 21.630 -1.302 1.00 0.00 C ATOM 916 C GLY A 63 21.232 21.618 -0.665 1.00 0.00 C ATOM 917 O GLY A 63 21.047 22.135 0.440 1.00 0.00 O ATOM 0 H GLY A 63 22.104 19.761 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.366 21.617 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.736 22.556 -1.861 1.00 0.00 H new ATOM 921 N ALA A 64 20.264 21.023 -1.355 1.00 0.00 N ATOM 922 CA ALA A 64 18.907 20.921 -0.839 1.00 0.00 C ATOM 923 C ALA A 64 18.780 19.714 0.084 1.00 0.00 C ATOM 924 O ALA A 64 19.187 18.609 -0.271 1.00 0.00 O ATOM 925 CB ALA A 64 17.907 20.829 -1.978 1.00 0.00 C ATOM 0 H ALA A 64 20.397 20.604 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 64 18.688 21.821 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.898 20.753 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.981 21.721 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.122 19.947 -2.581 1.00 0.00 H new ATOM 931 N ALA A 65 18.218 19.931 1.263 1.00 0.00 N ATOM 932 CA ALA A 65 18.130 18.883 2.270 1.00 0.00 C ATOM 933 C ALA A 65 16.770 18.194 2.239 1.00 0.00 C ATOM 934 O ALA A 65 15.752 18.786 2.595 1.00 0.00 O ATOM 935 CB ALA A 65 18.399 19.463 3.650 1.00 0.00 C ATOM 0 H ALA A 65 17.815 20.824 1.547 1.00 0.00 H new ATOM 0 HA ALA A 65 18.887 18.132 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.331 18.672 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.398 19.899 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.661 20.234 3.871 1.00 0.00 H new ATOM 941 N PHE A 66 16.759 16.947 1.795 1.00 0.00 N ATOM 942 CA PHE A 66 15.547 16.143 1.799 1.00 0.00 C ATOM 943 C PHE A 66 15.618 15.106 2.908 1.00 0.00 C ATOM 944 O PHE A 66 16.685 14.852 3.457 1.00 0.00 O ATOM 945 CB PHE A 66 15.349 15.458 0.445 1.00 0.00 C ATOM 946 CG PHE A 66 15.143 16.420 -0.688 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.897 16.980 -0.917 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.193 16.766 -1.522 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.702 17.869 -1.956 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.005 17.653 -2.563 1.00 0.00 C ATOM 951 CZ PHE A 66 14.758 18.206 -2.780 1.00 0.00 C ATOM 0 H PHE A 66 17.580 16.468 1.426 1.00 0.00 H new ATOM 0 HA PHE A 66 14.695 16.798 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.219 14.837 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.489 14.792 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.068 16.718 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.170 16.337 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.726 18.300 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.832 17.914 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.609 18.901 -3.593 1.00 0.00 H new ATOM 961 N HIS A 67 14.484 14.522 3.246 1.00 0.00 N ATOM 962 CA HIS A 67 14.426 13.514 4.294 1.00 0.00 C ATOM 963 C HIS A 67 13.853 12.220 3.741 1.00 0.00 C ATOM 964 O HIS A 67 13.045 12.243 2.813 1.00 0.00 O ATOM 965 CB HIS A 67 13.571 14.009 5.466 1.00 0.00 C ATOM 966 CG HIS A 67 14.074 15.281 6.081 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.772 16.536 5.605 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.878 15.473 7.153 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.388 17.433 6.384 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.075 16.839 7.342 1.00 0.00 N ATOM 0 H HIS A 67 13.585 14.728 2.809 1.00 0.00 H new ATOM 0 HA HIS A 67 15.438 13.329 4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.549 14.162 5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.536 13.234 6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.182 16.746 4.800 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.300 14.690 7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.331 18.503 6.247 1.00 0.00 H new ATOM 978 N ILE A 68 14.284 11.100 4.298 1.00 0.00 N ATOM 979 CA ILE A 68 13.805 9.797 3.866 1.00 0.00 C ATOM 980 C ILE A 68 12.965 9.163 4.968 1.00 0.00 C ATOM 981 O ILE A 68 13.504 8.673 5.962 1.00 0.00 O ATOM 982 CB ILE A 68 14.975 8.854 3.501 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.859 9.480 2.416 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.449 7.500 3.041 1.00 0.00 C ATOM 985 CD1 ILE A 68 15.130 9.763 1.117 1.00 0.00 C ATOM 0 H ILE A 68 14.968 11.067 5.054 1.00 0.00 H new ATOM 0 HA ILE A 68 13.197 9.945 2.974 1.00 0.00 H new ATOM 0 HB ILE A 68 15.581 8.704 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 68 16.279 10.411 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.696 8.812 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.287 6.851 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.866 7.045 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.817 7.634 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.822 10.205 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.733 8.832 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.310 10.456 1.304 1.00 0.00 H new ATOM 997 N ASN A 69 11.646 9.191 4.786 1.00 0.00 N ATOM 998 CA ASN A 69 10.700 8.697 5.792 1.00 0.00 C ATOM 999 C ASN A 69 10.761 9.555 7.049 1.00 0.00 C ATOM 1000 O ASN A 69 11.355 10.634 7.052 1.00 0.00 O ATOM 1001 CB ASN A 69 10.975 7.229 6.153 1.00 0.00 C ATOM 1002 CG ASN A 69 10.523 6.255 5.084 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.572 6.517 4.347 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.194 5.118 5.002 1.00 0.00 N ATOM 0 H ASN A 69 11.202 9.554 3.943 1.00 0.00 H new ATOM 0 HA ASN A 69 9.702 8.761 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.043 7.098 6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.469 6.991 7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.929 4.418 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.976 4.941 5.632 1.00 0.00 H new ATOM 1011 N PHE A 70 10.128 9.088 8.111 1.00 0.00 N ATOM 1012 CA PHE A 70 10.188 9.775 9.388 1.00 0.00 C ATOM 1013 C PHE A 70 10.698 8.818 10.456 1.00 0.00 C ATOM 1014 O PHE A 70 9.916 8.163 11.148 1.00 0.00 O ATOM 1015 CB PHE A 70 8.816 10.343 9.770 1.00 0.00 C ATOM 1016 CG PHE A 70 8.849 11.223 10.990 1.00 0.00 C ATOM 1017 CD1 PHE A 70 9.466 12.463 10.946 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.268 10.810 12.179 1.00 0.00 C ATOM 1019 CE1 PHE A 70 9.504 13.274 12.063 1.00 0.00 C ATOM 1020 CE2 PHE A 70 8.304 11.616 13.300 1.00 0.00 C ATOM 1021 CZ PHE A 70 8.922 12.851 13.243 1.00 0.00 C ATOM 0 H PHE A 70 9.567 8.236 8.114 1.00 0.00 H new ATOM 0 HA PHE A 70 10.878 10.615 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.422 10.915 8.930 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.126 9.518 9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.923 12.799 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.782 9.847 12.229 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.988 14.238 12.015 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.849 11.281 14.221 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.950 13.484 14.118 1.00 0.00 H new ATOM 1031 N GLY A 71 12.016 8.711 10.554 1.00 0.00 N ATOM 1032 CA GLY A 71 12.619 7.808 11.510 1.00 0.00 C ATOM 1033 C GLY A 71 12.782 8.442 12.872 1.00 0.00 C ATOM 1034 O GLY A 71 12.083 8.089 13.820 1.00 0.00 O ATOM 0 H GLY A 71 12.680 9.237 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.004 6.913 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.594 7.489 11.141 1.00 0.00 H new ATOM 1038 N ALA A 72 13.703 9.388 12.969 1.00 0.00 N ATOM 1039 CA ALA A 72 13.962 10.069 14.226 1.00 0.00 C ATOM 1040 C ALA A 72 14.192 11.554 13.998 1.00 0.00 C ATOM 1041 O ALA A 72 14.743 11.950 12.970 1.00 0.00 O ATOM 1042 CB ALA A 72 15.162 9.452 14.929 1.00 0.00 C ATOM 0 H ALA A 72 14.284 9.701 12.191 1.00 0.00 H new ATOM 0 HA ALA A 72 13.085 9.951 14.863 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.341 9.974 15.869 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.964 8.399 15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.042 9.539 14.291 1.00 0.00 H new ATOM 1048 N GLY A 73 13.766 12.365 14.954 1.00 0.00 N ATOM 1049 CA GLY A 73 13.968 13.797 14.861 1.00 0.00 C ATOM 1050 C GLY A 73 15.305 14.209 15.437 1.00 0.00 C ATOM 1051 O GLY A 73 15.734 13.674 16.462 1.00 0.00 O ATOM 0 H GLY A 73 13.282 12.056 15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.910 14.106 13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.168 14.313 15.392 1.00 0.00 H new ATOM 1055 N ILE A 74 15.959 15.162 14.792 1.00 0.00 N ATOM 1056 CA ILE A 74 17.305 15.563 15.182 1.00 0.00 C ATOM 1057 C ILE A 74 17.299 16.300 16.522 1.00 0.00 C ATOM 1058 O ILE A 74 18.287 16.278 17.261 1.00 0.00 O ATOM 1059 CB ILE A 74 17.956 16.455 14.099 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.428 16.718 14.433 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.197 17.769 13.954 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.144 17.554 13.396 1.00 0.00 C ATOM 0 H ILE A 74 15.581 15.674 13.995 1.00 0.00 H new ATOM 0 HA ILE A 74 17.894 14.652 15.288 1.00 0.00 H new ATOM 0 HB ILE A 74 17.907 15.926 13.147 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.489 17.221 15.398 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.944 15.764 14.538 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.672 18.381 13.187 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.166 17.564 13.667 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.210 18.303 14.904 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.181 17.700 13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.115 17.043 12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.653 18.523 13.307 1.00 0.00 H new ATOM 1074 N ASP A 75 16.179 16.928 16.848 1.00 0.00 N ATOM 1075 CA ASP A 75 16.088 17.721 18.064 1.00 0.00 C ATOM 1076 C ASP A 75 15.950 16.814 19.283 1.00 0.00 C ATOM 1077 O ASP A 75 16.492 17.102 20.349 1.00 0.00 O ATOM 1078 CB ASP A 75 14.912 18.696 17.980 1.00 0.00 C ATOM 1079 CG ASP A 75 15.050 19.854 18.947 1.00 0.00 C ATOM 1080 OD1 ASP A 75 16.178 20.375 19.095 1.00 0.00 O ATOM 1081 OD2 ASP A 75 14.031 20.276 19.531 1.00 0.00 O ATOM 0 H ASP A 75 15.325 16.904 16.291 1.00 0.00 H new ATOM 0 HA ASP A 75 17.006 18.300 18.170 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.836 19.082 16.964 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.985 18.161 18.188 1.00 0.00 H new ATOM 1086 N ASP A 76 15.256 15.694 19.102 1.00 0.00 N ATOM 1087 CA ASP A 76 15.066 14.719 20.176 1.00 0.00 C ATOM 1088 C ASP A 76 16.387 14.042 20.521 1.00 0.00 C ATOM 1089 O ASP A 76 16.589 13.582 21.645 1.00 0.00 O ATOM 1090 CB ASP A 76 14.052 13.644 19.768 1.00 0.00 C ATOM 1091 CG ASP A 76 12.698 14.206 19.381 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.521 14.565 18.197 1.00 0.00 O ATOM 1093 OD2 ASP A 76 11.798 14.263 20.244 1.00 0.00 O ATOM 0 H ASP A 76 14.814 15.437 18.219 1.00 0.00 H new ATOM 0 HA ASP A 76 14.689 15.257 21.046 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.454 13.076 18.929 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.924 12.945 20.594 1.00 0.00 H new ATOM 1098 N LEU A 77 17.291 14.001 19.546 1.00 0.00 N ATOM 1099 CA LEU A 77 18.569 13.307 19.699 1.00 0.00 C ATOM 1100 C LEU A 77 19.489 14.016 20.691 1.00 0.00 C ATOM 1101 O LEU A 77 20.493 13.449 21.125 1.00 0.00 O ATOM 1102 CB LEU A 77 19.270 13.184 18.344 1.00 0.00 C ATOM 1103 CG LEU A 77 18.512 12.379 17.285 1.00 0.00 C ATOM 1104 CD1 LEU A 77 19.283 12.368 15.973 1.00 0.00 C ATOM 1105 CD2 LEU A 77 18.261 10.958 17.769 1.00 0.00 C ATOM 0 H LEU A 77 17.162 14.443 18.636 1.00 0.00 H new ATOM 0 HA LEU A 77 18.353 12.314 20.093 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.450 14.186 17.955 1.00 0.00 H new ATOM 0 HB3 LEU A 77 20.245 12.722 18.499 1.00 0.00 H new ATOM 0 HG LEU A 77 17.547 12.857 17.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.730 11.792 15.231 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.410 13.390 15.617 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.262 11.914 16.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.721 10.402 17.002 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.214 10.468 17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.668 10.984 18.683 1.00 0.00 H new ATOM 1117 N LYS A 78 19.152 15.258 21.039 1.00 0.00 N ATOM 1118 CA LYS A 78 19.934 16.016 22.011 1.00 0.00 C ATOM 1119 C LYS A 78 19.858 15.362 23.384 1.00 0.00 C ATOM 1120 O LYS A 78 20.813 15.412 24.164 1.00 0.00 O ATOM 1121 CB LYS A 78 19.437 17.461 22.109 1.00 0.00 C ATOM 1122 CG LYS A 78 19.676 18.287 20.858 1.00 0.00 C ATOM 1123 CD LYS A 78 19.256 19.732 21.070 1.00 0.00 C ATOM 1124 CE LYS A 78 19.537 20.583 19.844 1.00 0.00 C ATOM 1125 NZ LYS A 78 18.758 20.130 18.662 1.00 0.00 N ATOM 0 H LYS A 78 18.346 15.757 20.663 1.00 0.00 H new ATOM 0 HA LYS A 78 20.969 16.022 21.670 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.369 17.452 22.327 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.930 17.947 22.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.731 18.247 20.588 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.118 17.861 20.025 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.192 19.771 21.305 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.787 20.143 21.928 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.294 21.623 20.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.602 20.546 19.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.887 20.805 17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.092 19.191 18.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.750 20.077 18.911 1.00 0.00 H new ATOM 1177 N ALA B 2 15.716 -2.241 -15.305 1.00 0.00 N ATOM 1178 CA ALA B 2 15.008 -1.112 -14.724 1.00 0.00 C ATOM 1179 C ALA B 2 14.032 -1.584 -13.652 1.00 0.00 C ATOM 1180 O ALA B 2 13.038 -2.243 -13.952 1.00 0.00 O ATOM 1181 CB ALA B 2 14.274 -0.332 -15.805 1.00 0.00 C ATOM 0 HA ALA B 2 15.739 -0.452 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA B 2 13.749 0.510 -15.353 1.00 0.00 H new ATOM 0 HB2 ALA B 2 14.992 0.038 -16.537 1.00 0.00 H new ATOM 0 HB3 ALA B 2 13.555 -0.985 -16.300 1.00 0.00 H new ATOM 1187 N SER B 3 14.334 -1.263 -12.403 1.00 0.00 N ATOM 1188 CA SER B 3 13.462 -1.611 -11.291 1.00 0.00 C ATOM 1189 C SER B 3 12.367 -0.559 -11.123 1.00 0.00 C ATOM 1190 O SER B 3 12.382 0.477 -11.791 1.00 0.00 O ATOM 1191 CB SER B 3 14.280 -1.747 -10.004 1.00 0.00 C ATOM 1192 OG SER B 3 15.253 -2.773 -10.130 1.00 0.00 O ATOM 0 H SER B 3 15.180 -0.760 -12.133 1.00 0.00 H new ATOM 0 HA SER B 3 12.986 -2.568 -11.504 1.00 0.00 H new ATOM 0 HB2 SER B 3 14.771 -0.800 -9.778 1.00 0.00 H new ATOM 0 HB3 SER B 3 13.617 -1.970 -9.168 1.00 0.00 H new ATOM 0 HG SER B 3 15.765 -2.842 -9.298 1.00 0.00 H new ATOM 1198 N LYS B 4 11.418 -0.829 -10.237 1.00 0.00 N ATOM 1199 CA LYS B 4 10.288 0.068 -10.024 1.00 0.00 C ATOM 1200 C LYS B 4 10.724 1.344 -9.307 1.00 0.00 C ATOM 1201 O LYS B 4 11.453 1.292 -8.321 1.00 0.00 O ATOM 1202 CB LYS B 4 9.206 -0.642 -9.203 1.00 0.00 C ATOM 1203 CG LYS B 4 8.740 -1.951 -9.818 1.00 0.00 C ATOM 1204 CD LYS B 4 7.785 -2.702 -8.902 1.00 0.00 C ATOM 1205 CE LYS B 4 6.506 -1.925 -8.636 1.00 0.00 C ATOM 1206 NZ LYS B 4 5.670 -1.783 -9.857 1.00 0.00 N ATOM 0 H LYS B 4 11.408 -1.664 -9.652 1.00 0.00 H new ATOM 0 HA LYS B 4 9.886 0.344 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.590 -0.837 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.350 0.023 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.247 -1.750 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS B 4 9.605 -2.579 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.536 -3.664 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.283 -2.912 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.930 -2.431 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS B 4 6.757 -0.936 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.764 -1.337 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.168 -1.191 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.492 -2.722 -10.267 1.00 0.00 H new ATOM 1220 N ALA B 5 10.296 2.483 -9.824 1.00 0.00 N ATOM 1221 CA ALA B 5 10.514 3.760 -9.162 1.00 0.00 C ATOM 1222 C ALA B 5 9.268 4.622 -9.302 1.00 0.00 C ATOM 1223 O ALA B 5 9.147 5.420 -10.230 1.00 0.00 O ATOM 1224 CB ALA B 5 11.735 4.468 -9.735 1.00 0.00 C ATOM 0 H ALA B 5 9.791 2.550 -10.708 1.00 0.00 H new ATOM 0 HA ALA B 5 10.706 3.584 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.877 5.420 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA B 5 12.618 3.844 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.586 4.647 -10.800 1.00 0.00 H new ATOM 1230 N ILE B 6 8.323 4.430 -8.398 1.00 0.00 N ATOM 1231 CA ILE B 6 7.028 5.083 -8.509 1.00 0.00 C ATOM 1232 C ILE B 6 6.879 6.189 -7.472 1.00 0.00 C ATOM 1233 O ILE B 6 6.953 5.940 -6.270 1.00 0.00 O ATOM 1234 CB ILE B 6 5.874 4.071 -8.347 1.00 0.00 C ATOM 1235 CG1 ILE B 6 6.061 2.888 -9.302 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.540 4.755 -8.607 1.00 0.00 C ATOM 1237 CD1 ILE B 6 5.025 1.795 -9.130 1.00 0.00 C ATOM 0 H ILE B 6 8.427 3.829 -7.580 1.00 0.00 H new ATOM 0 HA ILE B 6 6.976 5.521 -9.506 1.00 0.00 H new ATOM 0 HB ILE B 6 5.882 3.693 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.025 3.252 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.053 2.463 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.732 4.033 -8.490 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.404 5.570 -7.896 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.527 5.153 -9.622 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.222 0.992 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE B 6 5.076 1.402 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE B 6 4.031 2.204 -9.312 1.00 0.00 H new ATOM 1249 N PHE B 7 6.668 7.405 -7.945 1.00 0.00 N ATOM 1250 CA PHE B 7 6.509 8.551 -7.066 1.00 0.00 C ATOM 1251 C PHE B 7 5.029 8.865 -6.869 1.00 0.00 C ATOM 1252 O PHE B 7 4.269 8.960 -7.836 1.00 0.00 O ATOM 1253 CB PHE B 7 7.248 9.762 -7.646 1.00 0.00 C ATOM 1254 CG PHE B 7 7.181 10.993 -6.784 1.00 0.00 C ATOM 1255 CD1 PHE B 7 7.872 11.054 -5.586 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.430 12.087 -7.178 1.00 0.00 C ATOM 1257 CE1 PHE B 7 7.813 12.184 -4.794 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.367 13.220 -6.391 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.058 13.269 -5.196 1.00 0.00 C ATOM 0 H PHE B 7 6.602 7.625 -8.939 1.00 0.00 H new ATOM 0 HA PHE B 7 6.940 8.315 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.294 9.496 -7.800 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.830 9.994 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.464 10.209 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE B 7 5.887 12.054 -8.111 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.357 12.219 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE B 7 5.778 14.067 -6.710 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.008 14.153 -4.578 1.00 0.00 H new ATOM 1269 N TYR B 8 4.627 9.012 -5.613 1.00 0.00 N ATOM 1270 CA TYR B 8 3.242 9.311 -5.273 1.00 0.00 C ATOM 1271 C TYR B 8 3.121 10.715 -4.700 1.00 0.00 C ATOM 1272 O TYR B 8 3.870 11.093 -3.794 1.00 0.00 O ATOM 1273 CB TYR B 8 2.705 8.305 -4.250 1.00 0.00 C ATOM 1274 CG TYR B 8 2.426 6.930 -4.815 1.00 0.00 C ATOM 1275 CD1 TYR B 8 3.417 5.959 -4.865 1.00 0.00 C ATOM 1276 CD2 TYR B 8 1.163 6.603 -5.289 1.00 0.00 C ATOM 1277 CE1 TYR B 8 3.156 4.702 -5.375 1.00 0.00 C ATOM 1278 CE2 TYR B 8 0.895 5.348 -5.798 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.893 4.400 -5.838 1.00 0.00 C ATOM 1280 OH TYR B 8 1.629 3.149 -6.345 1.00 0.00 O ATOM 0 H TYR B 8 5.246 8.928 -4.807 1.00 0.00 H new ATOM 0 HA TYR B 8 2.655 9.242 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.425 8.212 -3.437 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.786 8.700 -3.817 1.00 0.00 H new ATOM 0 HD1 TYR B 8 4.407 6.190 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR B 8 0.377 7.343 -5.259 1.00 0.00 H new ATOM 0 HE1 TYR B 8 3.939 3.959 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -0.093 5.111 -6.163 1.00 0.00 H new ATOM 0 HH TYR B 8 0.692 3.101 -6.627 1.00 0.00 H new ATOM 1290 N HIS B 9 2.181 11.488 -5.226 1.00 0.00 N ATOM 1291 CA HIS B 9 1.914 12.817 -4.700 1.00 0.00 C ATOM 1292 C HIS B 9 0.508 13.265 -5.076 1.00 0.00 C ATOM 1293 O HIS B 9 -0.090 12.730 -6.003 1.00 0.00 O ATOM 1294 CB HIS B 9 2.951 13.827 -5.203 1.00 0.00 C ATOM 1295 CG HIS B 9 2.793 14.236 -6.638 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.278 15.465 -6.969 1.00 0.00 N ATOM 1297 CD2 HIS B 9 3.117 13.572 -7.772 1.00 0.00 C ATOM 1298 CE1 HIS B 9 2.302 15.523 -8.288 1.00 0.00 C ATOM 1299 NE2 HIS B 9 2.803 14.401 -8.821 1.00 0.00 N ATOM 0 H HIS B 9 1.593 11.218 -6.014 1.00 0.00 H new ATOM 0 HA HIS B 9 1.987 12.771 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS B 9 2.900 14.719 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS B 9 3.945 13.401 -5.070 1.00 0.00 H new ATOM 0 HD2 HIS B 9 3.541 12.581 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.960 16.370 -8.865 1.00 0.00 H new ATOM 0 HE2 HIS B 9 2.927 14.201 -9.813 1.00 0.00 H new ATOM 1307 N ALA B 10 -0.012 14.250 -4.358 1.00 0.00 N ATOM 1308 CA ALA B 10 -1.366 14.733 -4.591 1.00 0.00 C ATOM 1309 C ALA B 10 -1.358 16.169 -5.110 1.00 0.00 C ATOM 1310 O ALA B 10 -2.366 16.873 -5.030 1.00 0.00 O ATOM 1311 CB ALA B 10 -2.181 14.635 -3.310 1.00 0.00 C ATOM 0 H ALA B 10 0.484 14.731 -3.608 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.826 14.105 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.192 14.998 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -2.222 13.596 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -1.713 15.241 -2.534 1.00 0.00 H new ATOM 1317 N GLY B 11 -0.226 16.587 -5.662 1.00 0.00 N ATOM 1318 CA GLY B 11 -0.100 17.941 -6.166 1.00 0.00 C ATOM 1319 C GLY B 11 0.037 18.962 -5.054 1.00 0.00 C ATOM 1320 O GLY B 11 -0.960 19.496 -4.567 1.00 0.00 O ATOM 0 H GLY B 11 0.609 16.011 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY B 11 0.769 18.002 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.973 18.183 -6.772 1.00 0.00 H new ATOM 1324 N CYS B 12 1.272 19.230 -4.654 1.00 0.00 N ATOM 1325 CA CYS B 12 1.553 20.169 -3.576 1.00 0.00 C ATOM 1326 C CYS B 12 2.979 20.697 -3.717 1.00 0.00 C ATOM 1327 O CYS B 12 3.798 20.072 -4.384 1.00 0.00 O ATOM 1328 CB CYS B 12 1.375 19.476 -2.220 1.00 0.00 C ATOM 1329 SG CYS B 12 2.387 17.990 -2.020 1.00 0.00 S ATOM 0 H CYS B 12 2.104 18.806 -5.065 1.00 0.00 H new ATOM 0 HA CYS B 12 0.857 21.006 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS B 12 1.622 20.182 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS B 12 0.326 19.209 -2.094 1.00 0.00 H new ATOM 0 HG CYS B 12 2.761 17.559 -3.188 1.00 0.00 H new ATOM 1335 N PRO B 13 3.302 21.843 -3.095 1.00 0.00 N ATOM 1336 CA PRO B 13 4.641 22.444 -3.190 1.00 0.00 C ATOM 1337 C PRO B 13 5.749 21.495 -2.725 1.00 0.00 C ATOM 1338 O PRO B 13 6.862 21.519 -3.250 1.00 0.00 O ATOM 1339 CB PRO B 13 4.564 23.670 -2.267 1.00 0.00 C ATOM 1340 CG PRO B 13 3.351 23.456 -1.423 1.00 0.00 C ATOM 1341 CD PRO B 13 2.400 22.655 -2.264 1.00 0.00 C ATOM 0 HA PRO B 13 4.893 22.689 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO B 13 5.460 23.756 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.484 24.591 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO B 13 3.603 22.925 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO B 13 2.907 24.407 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO B 13 1.745 22.034 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO B 13 1.759 23.295 -2.870 1.00 0.00 H new ATOM 1349 N VAL B 14 5.421 20.648 -1.755 1.00 0.00 N ATOM 1350 CA VAL B 14 6.391 19.729 -1.167 1.00 0.00 C ATOM 1351 C VAL B 14 6.885 18.707 -2.190 1.00 0.00 C ATOM 1352 O VAL B 14 8.084 18.457 -2.306 1.00 0.00 O ATOM 1353 CB VAL B 14 5.786 18.982 0.043 1.00 0.00 C ATOM 1354 CG1 VAL B 14 6.830 18.098 0.714 1.00 0.00 C ATOM 1355 CG2 VAL B 14 5.199 19.968 1.041 1.00 0.00 C ATOM 0 H VAL B 14 4.485 20.578 -1.357 1.00 0.00 H new ATOM 0 HA VAL B 14 7.236 20.332 -0.833 1.00 0.00 H new ATOM 0 HB VAL B 14 4.983 18.341 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL B 14 6.380 17.583 1.563 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.199 17.364 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL B 14 7.659 18.714 1.062 1.00 0.00 H new ATOM 0 HG21 VAL B 14 4.778 19.423 1.886 1.00 0.00 H new ATOM 0 HG22 VAL B 14 5.983 20.637 1.395 1.00 0.00 H new ATOM 0 HG23 VAL B 14 4.415 20.551 0.558 1.00 0.00 H new ATOM 1365 N CYS B 15 5.959 18.132 -2.948 1.00 0.00 N ATOM 1366 CA CYS B 15 6.310 17.069 -3.881 1.00 0.00 C ATOM 1367 C CYS B 15 6.985 17.619 -5.126 1.00 0.00 C ATOM 1368 O CYS B 15 7.720 16.903 -5.801 1.00 0.00 O ATOM 1369 CB CYS B 15 5.080 16.249 -4.264 1.00 0.00 C ATOM 1370 SG CYS B 15 3.718 17.212 -4.946 1.00 0.00 S ATOM 0 H CYS B 15 4.970 18.381 -2.936 1.00 0.00 H new ATOM 0 HA CYS B 15 7.020 16.415 -3.374 1.00 0.00 H new ATOM 0 HB2 CYS B 15 5.375 15.495 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.725 15.717 -3.381 1.00 0.00 H new ATOM 0 HG CYS B 15 3.249 16.614 -6.001 1.00 0.00 H new ATOM 1376 N VAL B 16 6.745 18.894 -5.426 1.00 0.00 N ATOM 1377 CA VAL B 16 7.390 19.538 -6.564 1.00 0.00 C ATOM 1378 C VAL B 16 8.904 19.545 -6.367 1.00 0.00 C ATOM 1379 O VAL B 16 9.667 19.378 -7.319 1.00 0.00 O ATOM 1380 CB VAL B 16 6.885 20.984 -6.774 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.579 21.630 -7.966 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.376 21.004 -6.962 1.00 0.00 C ATOM 0 H VAL B 16 6.113 19.497 -4.900 1.00 0.00 H new ATOM 0 HA VAL B 16 7.134 18.964 -7.455 1.00 0.00 H new ATOM 0 HB VAL B 16 7.128 21.561 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.209 22.647 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.655 21.655 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.371 21.051 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.041 22.031 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.110 20.408 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.894 20.588 -6.078 1.00 0.00 H new ATOM 1392 N SER B 17 9.327 19.710 -5.119 1.00 0.00 N ATOM 1393 CA SER B 17 10.738 19.657 -4.777 1.00 0.00 C ATOM 1394 C SER B 17 11.305 18.277 -5.110 1.00 0.00 C ATOM 1395 O SER B 17 12.330 18.156 -5.778 1.00 0.00 O ATOM 1396 CB SER B 17 10.922 19.959 -3.291 1.00 0.00 C ATOM 1397 OG SER B 17 10.151 21.086 -2.904 1.00 0.00 O ATOM 0 H SER B 17 8.708 19.882 -4.327 1.00 0.00 H new ATOM 0 HA SER B 17 11.275 20.406 -5.359 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.627 19.092 -2.700 1.00 0.00 H new ATOM 0 HB3 SER B 17 11.975 20.145 -3.081 1.00 0.00 H new ATOM 0 HG SER B 17 10.283 21.260 -1.949 1.00 0.00 H new ATOM 1403 N ALA B 18 10.611 17.239 -4.661 1.00 0.00 N ATOM 1404 CA ALA B 18 11.027 15.867 -4.925 1.00 0.00 C ATOM 1405 C ALA B 18 10.997 15.567 -6.420 1.00 0.00 C ATOM 1406 O ALA B 18 11.891 14.912 -6.947 1.00 0.00 O ATOM 1407 CB ALA B 18 10.139 14.892 -4.172 1.00 0.00 C ATOM 0 H ALA B 18 9.756 17.321 -4.111 1.00 0.00 H new ATOM 0 HA ALA B 18 12.053 15.749 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.462 13.872 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.212 15.086 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.105 15.018 -4.494 1.00 0.00 H new ATOM 1413 N GLU B 19 9.967 16.065 -7.090 1.00 0.00 N ATOM 1414 CA GLU B 19 9.799 15.880 -8.526 1.00 0.00 C ATOM 1415 C GLU B 19 10.981 16.458 -9.302 1.00 0.00 C ATOM 1416 O GLU B 19 11.573 15.784 -10.148 1.00 0.00 O ATOM 1417 CB GLU B 19 8.501 16.555 -8.981 1.00 0.00 C ATOM 1418 CG GLU B 19 8.256 16.492 -10.479 1.00 0.00 C ATOM 1419 CD GLU B 19 7.093 17.359 -10.908 1.00 0.00 C ATOM 1420 OE1 GLU B 19 7.292 18.580 -11.085 1.00 0.00 O ATOM 1421 OE2 GLU B 19 5.973 16.832 -11.068 1.00 0.00 O ATOM 0 H GLU B 19 9.223 16.609 -6.653 1.00 0.00 H new ATOM 0 HA GLU B 19 9.752 14.810 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.662 16.086 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.521 17.600 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU B 19 9.156 16.809 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU B 19 8.063 15.459 -10.770 1.00 0.00 H new ATOM 1428 N GLN B 20 11.331 17.698 -8.996 1.00 0.00 N ATOM 1429 CA GLN B 20 12.345 18.414 -9.757 1.00 0.00 C ATOM 1430 C GLN B 20 13.752 18.185 -9.205 1.00 0.00 C ATOM 1431 O GLN B 20 14.726 18.705 -9.751 1.00 0.00 O ATOM 1432 CB GLN B 20 12.016 19.909 -9.777 1.00 0.00 C ATOM 1433 CG GLN B 20 10.682 20.216 -10.443 1.00 0.00 C ATOM 1434 CD GLN B 20 10.674 19.857 -11.918 1.00 0.00 C ATOM 1435 OE1 GLN B 20 11.693 19.961 -12.600 1.00 0.00 O ATOM 1436 NE2 GLN B 20 9.537 19.405 -12.415 1.00 0.00 N ATOM 0 H GLN B 20 10.928 18.230 -8.225 1.00 0.00 H new ATOM 0 HA GLN B 20 12.334 18.023 -10.774 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.000 20.286 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.809 20.443 -10.301 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.890 19.666 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.458 21.277 -10.329 1.00 0.00 H new ATOM 0 HE21 GLN B 20 8.713 19.333 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.483 19.128 -13.395 1.00 0.00 H new ATOM 1445 N ALA B 21 13.869 17.414 -8.131 1.00 0.00 N ATOM 1446 CA ALA B 21 15.182 17.104 -7.575 1.00 0.00 C ATOM 1447 C ALA B 21 15.416 15.598 -7.493 1.00 0.00 C ATOM 1448 O ALA B 21 16.216 15.049 -8.246 1.00 0.00 O ATOM 1449 CB ALA B 21 15.353 17.747 -6.208 1.00 0.00 C ATOM 0 H ALA B 21 13.083 16.996 -7.633 1.00 0.00 H new ATOM 0 HA ALA B 21 15.931 17.519 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.339 17.503 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.257 18.829 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA B 21 14.586 17.371 -5.531 1.00 0.00 H new ATOM 1455 N VAL B 22 14.700 14.933 -6.592 1.00 0.00 N ATOM 1456 CA VAL B 22 14.888 13.500 -6.363 1.00 0.00 C ATOM 1457 C VAL B 22 14.524 12.691 -7.607 1.00 0.00 C ATOM 1458 O VAL B 22 15.253 11.782 -8.004 1.00 0.00 O ATOM 1459 CB VAL B 22 14.045 13.001 -5.165 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.282 11.518 -4.914 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.362 13.809 -3.913 1.00 0.00 C ATOM 0 H VAL B 22 13.983 15.362 -6.007 1.00 0.00 H new ATOM 0 HA VAL B 22 15.944 13.352 -6.135 1.00 0.00 H new ATOM 0 HB VAL B 22 12.992 13.141 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.678 11.191 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.001 10.949 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.336 11.350 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.759 13.443 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.419 13.703 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.135 14.860 -4.091 1.00 0.00 H new ATOM 1471 N ALA B 23 13.410 13.047 -8.236 1.00 0.00 N ATOM 1472 CA ALA B 23 12.947 12.345 -9.427 1.00 0.00 C ATOM 1473 C ALA B 23 13.754 12.750 -10.657 1.00 0.00 C ATOM 1474 O ALA B 23 13.509 12.266 -11.759 1.00 0.00 O ATOM 1475 CB ALA B 23 11.464 12.602 -9.650 1.00 0.00 C ATOM 0 H ALA B 23 12.811 13.818 -7.941 1.00 0.00 H new ATOM 0 HA ALA B 23 13.097 11.277 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.133 12.071 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.900 12.248 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.296 13.671 -9.780 1.00 0.00 H new ATOM 1481 N ASN B 24 14.699 13.661 -10.467 1.00 0.00 N ATOM 1482 CA ASN B 24 15.626 14.035 -11.527 1.00 0.00 C ATOM 1483 C ASN B 24 16.997 13.432 -11.231 1.00 0.00 C ATOM 1484 O ASN B 24 17.866 13.345 -12.100 1.00 0.00 O ATOM 1485 CB ASN B 24 15.719 15.562 -11.653 1.00 0.00 C ATOM 1486 CG ASN B 24 16.535 16.009 -12.856 1.00 0.00 C ATOM 1487 OD1 ASN B 24 17.744 16.227 -12.760 1.00 0.00 O ATOM 1488 ND2 ASN B 24 15.877 16.163 -13.997 1.00 0.00 N ATOM 0 H ASN B 24 14.844 14.156 -9.587 1.00 0.00 H new ATOM 0 HA ASN B 24 15.261 13.646 -12.478 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.714 15.977 -11.728 1.00 0.00 H new ATOM 0 HB3 ASN B 24 16.165 15.970 -10.746 1.00 0.00 H new ATOM 0 HD21 ASN B 24 16.372 16.472 -14.834 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.876 15.973 -14.038 1.00 0.00 H new ATOM 1495 N ALA B 25 17.175 13.009 -9.984 1.00 0.00 N ATOM 1496 CA ALA B 25 18.390 12.332 -9.568 1.00 0.00 C ATOM 1497 C ALA B 25 18.335 10.868 -9.974 1.00 0.00 C ATOM 1498 O ALA B 25 19.340 10.285 -10.379 1.00 0.00 O ATOM 1499 CB ALA B 25 18.590 12.468 -8.065 1.00 0.00 C ATOM 0 H ALA B 25 16.485 13.126 -9.242 1.00 0.00 H new ATOM 0 HA ALA B 25 19.240 12.799 -10.065 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.506 11.954 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.666 13.523 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.742 12.024 -7.543 1.00 0.00 H new ATOM 1505 N ILE B 26 17.152 10.282 -9.864 1.00 0.00 N ATOM 1506 CA ILE B 26 16.936 8.923 -10.322 1.00 0.00 C ATOM 1507 C ILE B 26 16.835 8.914 -11.840 1.00 0.00 C ATOM 1508 O ILE B 26 15.912 9.492 -12.416 1.00 0.00 O ATOM 1509 CB ILE B 26 15.664 8.303 -9.704 1.00 0.00 C ATOM 1510 CG1 ILE B 26 15.752 8.338 -8.174 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.473 6.873 -10.199 1.00 0.00 C ATOM 1512 CD1 ILE B 26 14.522 7.796 -7.477 1.00 0.00 C ATOM 0 H ILE B 26 16.328 10.729 -9.461 1.00 0.00 H new ATOM 0 HA ILE B 26 17.783 8.318 -10.000 1.00 0.00 H new ATOM 0 HB ILE B 26 14.800 8.890 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE B 26 16.621 7.762 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE B 26 15.916 9.366 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.572 6.451 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.375 6.874 -11.285 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.335 6.271 -9.913 1.00 0.00 H new ATOM 0 HD11 ILE B 26 14.660 7.854 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE B 26 13.652 8.386 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.367 6.757 -7.768 1.00 0.00 H new ATOM 1524 N ASP B 27 17.806 8.280 -12.480 1.00 0.00 N ATOM 1525 CA ASP B 27 17.903 8.290 -13.933 1.00 0.00 C ATOM 1526 C ASP B 27 16.716 7.576 -14.577 1.00 0.00 C ATOM 1527 O ASP B 27 16.407 6.432 -14.231 1.00 0.00 O ATOM 1528 CB ASP B 27 19.212 7.641 -14.378 1.00 0.00 C ATOM 1529 CG ASP B 27 19.417 7.743 -15.871 1.00 0.00 C ATOM 1530 OD1 ASP B 27 18.932 6.859 -16.602 1.00 0.00 O ATOM 1531 OD2 ASP B 27 20.050 8.723 -16.323 1.00 0.00 O ATOM 0 H ASP B 27 18.542 7.749 -12.014 1.00 0.00 H new ATOM 0 HA ASP B 27 17.888 9.329 -14.262 1.00 0.00 H new ATOM 0 HB2 ASP B 27 20.046 8.119 -13.864 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.215 6.592 -14.083 1.00 0.00 H new ATOM 1536 N PRO B 28 16.045 8.247 -15.530 1.00 0.00 N ATOM 1537 CA PRO B 28 14.846 7.720 -16.201 1.00 0.00 C ATOM 1538 C PRO B 28 15.080 6.410 -16.954 1.00 0.00 C ATOM 1539 O PRO B 28 14.136 5.660 -17.196 1.00 0.00 O ATOM 1540 CB PRO B 28 14.466 8.827 -17.192 1.00 0.00 C ATOM 1541 CG PRO B 28 15.121 10.056 -16.670 1.00 0.00 C ATOM 1542 CD PRO B 28 16.390 9.595 -16.016 1.00 0.00 C ATOM 0 HA PRO B 28 14.074 7.481 -15.469 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.814 8.592 -18.198 1.00 0.00 H new ATOM 0 HB3 PRO B 28 13.385 8.951 -17.249 1.00 0.00 H new ATOM 0 HG2 PRO B 28 15.329 10.760 -17.475 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.477 10.569 -15.956 1.00 0.00 H new ATOM 0 HD2 PRO B 28 17.221 9.569 -16.721 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.686 10.254 -15.200 1.00 0.00 H new ATOM 1550 N SER B 29 16.320 6.135 -17.340 1.00 0.00 N ATOM 1551 CA SER B 29 16.621 4.908 -18.066 1.00 0.00 C ATOM 1552 C SER B 29 17.300 3.890 -17.156 1.00 0.00 C ATOM 1553 O SER B 29 17.566 2.755 -17.559 1.00 0.00 O ATOM 1554 CB SER B 29 17.486 5.205 -19.297 1.00 0.00 C ATOM 1555 OG SER B 29 18.621 5.994 -18.971 1.00 0.00 O ATOM 0 H SER B 29 17.125 6.737 -17.165 1.00 0.00 H new ATOM 0 HA SER B 29 15.680 4.477 -18.408 1.00 0.00 H new ATOM 0 HB2 SER B 29 17.813 4.267 -19.745 1.00 0.00 H new ATOM 0 HB3 SER B 29 16.886 5.724 -20.045 1.00 0.00 H new ATOM 0 HG SER B 29 18.754 5.990 -18.000 1.00 0.00 H new ATOM 1561 N LYS B 30 17.564 4.305 -15.925 1.00 0.00 N ATOM 1562 CA LYS B 30 18.175 3.433 -14.934 1.00 0.00 C ATOM 1563 C LYS B 30 17.098 2.604 -14.246 1.00 0.00 C ATOM 1564 O LYS B 30 17.291 1.423 -13.964 1.00 0.00 O ATOM 1565 CB LYS B 30 18.939 4.271 -13.904 1.00 0.00 C ATOM 1566 CG LYS B 30 19.727 3.457 -12.891 1.00 0.00 C ATOM 1567 CD LYS B 30 20.284 4.345 -11.790 1.00 0.00 C ATOM 1568 CE LYS B 30 21.021 3.536 -10.736 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.339 3.050 -11.218 1.00 0.00 N ATOM 0 H LYS B 30 17.363 5.246 -15.588 1.00 0.00 H new ATOM 0 HA LYS B 30 18.876 2.761 -15.428 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.625 4.935 -14.431 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.230 4.904 -13.370 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.084 2.692 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.544 2.939 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.961 5.081 -12.223 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.470 4.898 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.165 4.149 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.408 2.684 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.720 2.355 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.224 2.602 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 22.997 3.852 -11.298 1.00 0.00 H new ATOM 1583 N TYR B 31 15.964 3.238 -13.978 1.00 0.00 N ATOM 1584 CA TYR B 31 14.820 2.564 -13.379 1.00 0.00 C ATOM 1585 C TYR B 31 13.536 3.057 -14.029 1.00 0.00 C ATOM 1586 O TYR B 31 13.527 4.098 -14.682 1.00 0.00 O ATOM 1587 CB TYR B 31 14.752 2.815 -11.865 1.00 0.00 C ATOM 1588 CG TYR B 31 15.958 2.326 -11.101 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.275 0.975 -11.051 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.780 3.218 -10.428 1.00 0.00 C ATOM 1591 CE1 TYR B 31 17.381 0.527 -10.358 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.884 2.778 -9.730 1.00 0.00 C ATOM 1593 CZ TYR B 31 18.182 1.432 -9.698 1.00 0.00 C ATOM 1594 OH TYR B 31 19.291 0.993 -9.013 1.00 0.00 O ATOM 0 H TYR B 31 15.812 4.228 -14.168 1.00 0.00 H new ATOM 0 HA TYR B 31 14.936 1.493 -13.545 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.635 3.885 -11.691 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.862 2.328 -11.467 1.00 0.00 H new ATOM 0 HD1 TYR B 31 15.645 0.263 -11.563 1.00 0.00 H new ATOM 0 HD2 TYR B 31 16.551 4.273 -10.451 1.00 0.00 H new ATOM 0 HE1 TYR B 31 17.617 -0.527 -10.333 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.513 3.485 -9.210 1.00 0.00 H new ATOM 0 HH TYR B 31 19.644 0.187 -9.444 1.00 0.00 H new ATOM 1604 N THR B 32 12.460 2.313 -13.844 1.00 0.00 N ATOM 1605 CA THR B 32 11.165 2.703 -14.366 1.00 0.00 C ATOM 1606 C THR B 32 10.542 3.772 -13.476 1.00 0.00 C ATOM 1607 O THR B 32 9.909 3.466 -12.462 1.00 0.00 O ATOM 1608 CB THR B 32 10.223 1.485 -14.481 1.00 0.00 C ATOM 1609 OG1 THR B 32 10.739 0.569 -15.454 1.00 0.00 O ATOM 1610 CG2 THR B 32 8.813 1.904 -14.874 1.00 0.00 C ATOM 0 H THR B 32 12.459 1.430 -13.333 1.00 0.00 H new ATOM 0 HA THR B 32 11.309 3.113 -15.366 1.00 0.00 H new ATOM 0 HB THR B 32 10.173 1.004 -13.504 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.141 -0.204 -15.525 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.178 1.021 -14.946 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.411 2.580 -14.120 1.00 0.00 H new ATOM 0 HG23 THR B 32 8.840 2.411 -15.839 1.00 0.00 H new ATOM 1618 N VAL B 33 10.764 5.027 -13.842 1.00 0.00 N ATOM 1619 CA VAL B 33 10.238 6.152 -13.090 1.00 0.00 C ATOM 1620 C VAL B 33 8.798 6.433 -13.501 1.00 0.00 C ATOM 1621 O VAL B 33 8.530 6.843 -14.635 1.00 0.00 O ATOM 1622 CB VAL B 33 11.088 7.424 -13.299 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.579 8.561 -12.425 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.557 7.143 -13.013 1.00 0.00 C ATOM 0 H VAL B 33 11.310 5.290 -14.663 1.00 0.00 H new ATOM 0 HA VAL B 33 10.275 5.885 -12.034 1.00 0.00 H new ATOM 0 HB VAL B 33 10.995 7.727 -14.342 1.00 0.00 H new ATOM 0 HG11 VAL B 33 11.192 9.448 -12.588 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.544 8.783 -12.684 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.636 8.268 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.138 8.052 -13.166 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.670 6.810 -11.981 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.916 6.365 -13.687 1.00 0.00 H new ATOM 1634 N GLU B 34 7.878 6.196 -12.585 1.00 0.00 N ATOM 1635 CA GLU B 34 6.469 6.426 -12.840 1.00 0.00 C ATOM 1636 C GLU B 34 5.926 7.449 -11.853 1.00 0.00 C ATOM 1637 O GLU B 34 6.308 7.458 -10.683 1.00 0.00 O ATOM 1638 CB GLU B 34 5.687 5.113 -12.737 1.00 0.00 C ATOM 1639 CG GLU B 34 4.221 5.239 -13.123 1.00 0.00 C ATOM 1640 CD GLU B 34 4.034 5.703 -14.553 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.965 4.844 -15.457 1.00 0.00 O ATOM 1642 OE2 GLU B 34 3.951 6.928 -14.780 1.00 0.00 O ATOM 0 H GLU B 34 8.084 5.842 -11.651 1.00 0.00 H new ATOM 0 HA GLU B 34 6.351 6.816 -13.851 1.00 0.00 H new ATOM 0 HB2 GLU B 34 6.159 4.369 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.753 4.741 -11.715 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.730 4.275 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.731 5.942 -12.450 1.00 0.00 H new ATOM 1649 N ILE B 35 5.046 8.312 -12.327 1.00 0.00 N ATOM 1650 CA ILE B 35 4.488 9.362 -11.492 1.00 0.00 C ATOM 1651 C ILE B 35 2.993 9.150 -11.315 1.00 0.00 C ATOM 1652 O ILE B 35 2.235 9.214 -12.281 1.00 0.00 O ATOM 1653 CB ILE B 35 4.733 10.763 -12.101 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.229 11.000 -12.347 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.163 11.849 -11.194 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.072 10.966 -11.088 1.00 0.00 C ATOM 0 H ILE B 35 4.701 8.307 -13.287 1.00 0.00 H new ATOM 0 HA ILE B 35 4.989 9.313 -10.525 1.00 0.00 H new ATOM 0 HB ILE B 35 4.219 10.808 -13.061 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.598 10.243 -13.040 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.358 11.967 -12.833 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.345 12.827 -11.639 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.090 11.698 -11.076 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.646 11.799 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.117 11.142 -11.345 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.732 11.741 -10.401 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.975 9.991 -10.611 1.00 0.00 H new ATOM 1668 N VAL B 36 2.569 8.886 -10.089 1.00 0.00 N ATOM 1669 CA VAL B 36 1.157 8.685 -9.803 1.00 0.00 C ATOM 1670 C VAL B 36 0.573 9.913 -9.120 1.00 0.00 C ATOM 1671 O VAL B 36 0.947 10.256 -7.993 1.00 0.00 O ATOM 1672 CB VAL B 36 0.917 7.440 -8.924 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.569 7.253 -8.653 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.497 6.199 -9.586 1.00 0.00 C ATOM 0 H VAL B 36 3.181 8.806 -9.277 1.00 0.00 H new ATOM 0 HA VAL B 36 0.656 8.524 -10.758 1.00 0.00 H new ATOM 0 HB VAL B 36 1.424 7.592 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.717 6.370 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.958 8.130 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.098 7.125 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.318 5.331 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.019 6.046 -10.554 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.570 6.330 -9.728 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.335 10.579 -9.814 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.951 11.787 -9.298 1.00 0.00 C ATOM 1686 C HIS B 37 -2.229 11.437 -8.545 1.00 0.00 C ATOM 1687 O HIS B 37 -3.214 10.993 -9.137 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.253 12.758 -10.440 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.418 14.178 -9.994 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -2.593 14.634 -9.455 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.528 15.195 -10.036 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.393 15.914 -9.181 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -1.155 16.297 -9.517 1.00 0.00 N ATOM 0 H HIS B 37 -0.662 10.301 -10.739 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.259 12.271 -8.609 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.446 12.707 -11.171 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.163 12.437 -10.947 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.485 15.148 -10.408 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -3.134 16.566 -8.742 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.756 17.229 -9.408 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.197 11.628 -7.237 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.317 11.282 -6.377 1.00 0.00 C ATOM 1703 C LEU B 38 -4.272 12.464 -6.229 1.00 0.00 C ATOM 1704 O LEU B 38 -5.355 12.335 -5.662 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.804 10.854 -4.996 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.746 9.743 -5.007 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.230 9.482 -3.602 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.312 8.465 -5.602 1.00 0.00 C ATOM 0 H LEU B 38 -1.398 12.025 -6.743 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.858 10.454 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.386 11.727 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.652 10.520 -4.399 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.915 10.075 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.481 8.691 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.782 10.392 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.057 9.175 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.544 7.691 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.164 8.133 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.635 8.652 -6.626 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.870 13.610 -6.761 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.663 14.816 -6.616 1.00 0.00 C ATOM 1722 C GLY B 39 -5.604 15.036 -7.781 1.00 0.00 C ATOM 1723 O GLY B 39 -5.789 16.162 -8.239 1.00 0.00 O ATOM 0 H GLY B 39 -3.007 13.727 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.240 14.758 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.998 15.675 -6.523 1.00 0.00 H new ATOM 1727 N THR B 40 -6.184 13.953 -8.274 1.00 0.00 N ATOM 1728 CA THR B 40 -7.140 14.013 -9.372 1.00 0.00 C ATOM 1729 C THR B 40 -8.040 12.782 -9.341 1.00 0.00 C ATOM 1730 O THR B 40 -9.261 12.882 -9.473 1.00 0.00 O ATOM 1731 CB THR B 40 -6.431 14.108 -10.744 1.00 0.00 C ATOM 1732 OG1 THR B 40 -5.571 15.257 -10.775 1.00 0.00 O ATOM 1733 CG2 THR B 40 -7.437 14.207 -11.881 1.00 0.00 C ATOM 0 H THR B 40 -6.007 13.010 -7.927 1.00 0.00 H new ATOM 0 HA THR B 40 -7.740 14.914 -9.243 1.00 0.00 H new ATOM 0 HB THR B 40 -5.843 13.200 -10.877 1.00 0.00 H new ATOM 0 HG1 THR B 40 -4.706 15.029 -10.375 1.00 0.00 H new ATOM 0 HG21 THR B 40 -6.907 14.272 -12.831 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.074 13.323 -11.881 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.052 15.097 -11.747 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.429 11.620 -9.153 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.181 10.380 -9.032 1.00 0.00 C ATOM 1743 C ASP B 41 -8.120 9.859 -7.603 1.00 0.00 C ATOM 1744 O ASP B 41 -7.040 9.611 -7.064 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.653 9.325 -10.003 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.298 7.971 -9.787 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.541 7.902 -9.704 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.559 6.973 -9.683 1.00 0.00 O ATOM 0 H ASP B 41 -6.417 11.511 -9.081 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.220 10.588 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.835 9.653 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.573 9.234 -9.885 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.287 9.689 -7.003 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.393 9.276 -5.611 1.00 0.00 C ATOM 1755 C LYS B 42 -9.224 7.767 -5.470 1.00 0.00 C ATOM 1756 O LYS B 42 -8.896 7.270 -4.393 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.743 9.718 -5.040 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.946 11.223 -5.091 1.00 0.00 C ATOM 1759 CD LYS B 42 -12.348 11.623 -4.666 1.00 0.00 C ATOM 1760 CE LYS B 42 -12.548 13.124 -4.798 1.00 0.00 C ATOM 1761 NZ LYS B 42 -13.944 13.538 -4.501 1.00 0.00 N ATOM 0 H LYS B 42 -10.185 9.833 -7.464 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.592 9.755 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.544 9.230 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -10.822 9.381 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.218 11.709 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.759 11.580 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -13.081 11.099 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -12.520 11.319 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -11.867 13.639 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -12.287 13.435 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -14.030 14.569 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -14.594 13.068 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -14.187 13.267 -3.527 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.430 7.041 -6.565 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.268 5.592 -6.556 1.00 0.00 C ATOM 1777 C ALA B 43 -7.806 5.229 -6.326 1.00 0.00 C ATOM 1778 O ALA B 43 -7.493 4.246 -5.654 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.776 4.989 -7.857 1.00 0.00 C ATOM 0 H ALA B 43 -9.708 7.431 -7.466 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.860 5.179 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.647 3.907 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.833 5.225 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.213 5.402 -8.694 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.917 6.049 -6.874 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.483 5.896 -6.663 1.00 0.00 C ATOM 1787 C ARG B 44 -5.127 6.008 -5.183 1.00 0.00 C ATOM 1788 O ARG B 44 -4.192 5.362 -4.714 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.720 6.948 -7.461 1.00 0.00 C ATOM 1790 CG ARG B 44 -4.581 6.618 -8.934 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.174 7.846 -9.729 1.00 0.00 C ATOM 1792 NE ARG B 44 -3.740 7.515 -11.083 1.00 0.00 N ATOM 1793 CZ ARG B 44 -4.559 7.326 -12.116 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -5.877 7.294 -11.946 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -4.052 7.129 -13.321 1.00 0.00 N ATOM 0 H ARG B 44 -7.168 6.835 -7.474 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.197 4.903 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.229 7.907 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.726 7.067 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -3.838 5.832 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -5.526 6.230 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -5.015 8.538 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -3.367 8.362 -9.208 1.00 0.00 H new ATOM 0 HE ARG B 44 -2.738 7.422 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -6.274 7.415 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.491 7.148 -12.747 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -3.041 7.123 -13.454 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -4.672 6.983 -14.118 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.879 6.820 -4.449 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.659 6.979 -3.016 1.00 0.00 C ATOM 1811 C ILE B 45 -5.923 5.659 -2.296 1.00 0.00 C ATOM 1812 O ILE B 45 -5.130 5.220 -1.463 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.561 8.088 -2.428 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.275 9.423 -3.125 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.354 8.212 -0.921 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.156 10.561 -2.652 1.00 0.00 C ATOM 0 H ILE B 45 -6.646 7.379 -4.822 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.620 7.272 -2.867 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.602 7.818 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.231 9.692 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.407 9.297 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.999 8.998 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.602 7.266 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.313 8.461 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -6.894 11.472 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.201 10.315 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.008 10.716 -1.583 1.00 0.00 H new ATOM 1828 N ALA B 46 -7.019 5.004 -2.668 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.387 3.719 -2.085 1.00 0.00 C ATOM 1830 C ALA B 46 -6.437 2.615 -2.551 1.00 0.00 C ATOM 1831 O ALA B 46 -6.466 1.496 -2.041 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.824 3.372 -2.445 1.00 0.00 C ATOM 0 H ALA B 46 -7.671 5.345 -3.375 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.305 3.798 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -9.087 2.411 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.492 4.143 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.924 3.314 -3.529 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.609 2.931 -3.537 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.607 1.994 -4.022 1.00 0.00 C ATOM 1840 C GLU B 47 -3.278 2.235 -3.316 1.00 0.00 C ATOM 1841 O GLU B 47 -2.538 1.296 -3.012 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.439 2.127 -5.537 1.00 0.00 C ATOM 1843 CG GLU B 47 -3.521 1.080 -6.138 1.00 0.00 C ATOM 1844 CD GLU B 47 -3.929 -0.326 -5.754 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -5.127 -0.659 -5.886 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -3.052 -1.107 -5.330 1.00 0.00 O ATOM 0 H GLU B 47 -5.612 3.831 -4.017 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.941 0.980 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.418 2.055 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -4.046 3.118 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.527 1.174 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.499 1.263 -5.808 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.988 3.499 -3.043 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.777 3.869 -2.327 1.00 0.00 C ATOM 1855 C ALA B 48 -1.783 3.274 -0.924 1.00 0.00 C ATOM 1856 O ALA B 48 -0.752 2.818 -0.425 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.640 5.384 -2.269 1.00 0.00 C ATOM 0 H ALA B 48 -3.578 4.288 -3.308 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.918 3.466 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.729 5.647 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.591 5.784 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.502 5.808 -1.753 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.959 3.252 -0.304 1.00 0.00 N ATOM 1864 CA GLU B 49 -3.110 2.679 1.028 1.00 0.00 C ATOM 1865 C GLU B 49 -2.964 1.157 1.004 1.00 0.00 C ATOM 1866 O GLU B 49 -2.753 0.536 2.045 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.455 3.077 1.644 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.551 4.558 1.971 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.806 4.920 2.739 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -5.824 4.754 3.977 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -6.783 5.379 2.118 1.00 0.00 O ATOM 0 H GLU B 49 -3.821 3.624 -0.703 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.310 3.082 1.649 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.256 2.812 0.954 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.615 2.500 2.555 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.678 4.852 2.554 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.522 5.131 1.044 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.071 0.557 -0.182 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.840 -0.878 -0.323 1.00 0.00 C ATOM 1880 C LYS B 50 -1.346 -1.162 -0.303 1.00 0.00 C ATOM 1881 O LYS B 50 -0.873 -2.000 0.460 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.420 -1.433 -1.628 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.926 -1.309 -1.766 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.433 -2.203 -2.888 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.876 -1.904 -3.250 1.00 0.00 C ATOM 1886 NZ LYS B 50 -7.013 -0.583 -3.912 1.00 0.00 N ATOM 0 H LYS B 50 -3.313 1.037 -1.049 1.00 0.00 H new ATOM 0 HA LYS B 50 -3.342 -1.366 0.512 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -2.950 -0.917 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -3.148 -2.485 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.407 -1.585 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.194 -0.272 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -4.804 -2.070 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.344 -3.247 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.254 -2.684 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.489 -1.925 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.952 -0.512 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.905 0.172 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.279 -0.482 -4.642 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.614 -0.449 -1.155 1.00 0.00 N ATOM 1901 CA ALA B 51 0.828 -0.632 -1.286 1.00 0.00 C ATOM 1902 C ALA B 51 1.548 -0.311 0.020 1.00 0.00 C ATOM 1903 O ALA B 51 2.560 -0.929 0.355 1.00 0.00 O ATOM 1904 CB ALA B 51 1.364 0.241 -2.410 1.00 0.00 C ATOM 0 H ALA B 51 -1.001 0.267 -1.770 1.00 0.00 H new ATOM 0 HA ALA B 51 1.016 -1.679 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.441 0.098 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.881 -0.036 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.155 1.288 -2.189 1.00 0.00 H new ATOM 1910 N GLY B 52 1.022 0.655 0.751 1.00 0.00 N ATOM 1911 CA GLY B 52 1.622 1.027 2.010 1.00 0.00 C ATOM 1912 C GLY B 52 2.145 2.443 1.998 1.00 0.00 C ATOM 1913 O GLY B 52 3.169 2.739 2.610 1.00 0.00 O ATOM 0 H GLY B 52 0.191 1.188 0.495 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.886 0.921 2.807 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.439 0.342 2.237 1.00 0.00 H new ATOM 1917 N VAL B 53 1.459 3.317 1.278 1.00 0.00 N ATOM 1918 CA VAL B 53 1.803 4.726 1.271 1.00 0.00 C ATOM 1919 C VAL B 53 1.118 5.408 2.446 1.00 0.00 C ATOM 1920 O VAL B 53 -0.096 5.616 2.432 1.00 0.00 O ATOM 1921 CB VAL B 53 1.389 5.408 -0.051 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.788 6.876 -0.055 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.005 4.685 -1.239 1.00 0.00 C ATOM 0 H VAL B 53 0.661 3.073 0.692 1.00 0.00 H new ATOM 0 HA VAL B 53 2.885 4.818 1.361 1.00 0.00 H new ATOM 0 HB VAL B 53 0.304 5.352 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.485 7.333 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.296 7.389 0.772 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.869 6.960 0.058 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.703 5.179 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.092 4.707 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.663 3.650 -1.252 1.00 0.00 H new ATOM 1933 N LYS B 54 1.895 5.716 3.475 1.00 0.00 N ATOM 1934 CA LYS B 54 1.350 6.269 4.708 1.00 0.00 C ATOM 1935 C LYS B 54 1.033 7.750 4.537 1.00 0.00 C ATOM 1936 O LYS B 54 0.113 8.284 5.166 1.00 0.00 O ATOM 1937 CB LYS B 54 2.341 6.067 5.856 1.00 0.00 C ATOM 1938 CG LYS B 54 1.710 6.157 7.238 1.00 0.00 C ATOM 1939 CD LYS B 54 0.702 5.039 7.452 1.00 0.00 C ATOM 1940 CE LYS B 54 0.097 5.086 8.846 1.00 0.00 C ATOM 1941 NZ LYS B 54 -0.907 4.008 9.050 1.00 0.00 N ATOM 0 H LYS B 54 2.907 5.592 3.481 1.00 0.00 H new ATOM 0 HA LYS B 54 0.424 5.745 4.945 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.815 5.092 5.747 1.00 0.00 H new ATOM 0 HB3 LYS B 54 3.130 6.815 5.778 1.00 0.00 H new ATOM 0 HG2 LYS B 54 2.487 6.102 8.000 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.218 7.122 7.354 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.091 5.117 6.708 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.189 4.076 7.299 1.00 0.00 H new ATOM 0 HE2 LYS B 54 0.889 4.990 9.589 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -0.374 6.056 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -1.296 4.074 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -1.676 4.114 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -0.452 3.081 8.923 1.00 0.00 H new ATOM 1955 N SER B 55 1.797 8.413 3.686 1.00 0.00 N ATOM 1956 CA SER B 55 1.573 9.816 3.401 1.00 0.00 C ATOM 1957 C SER B 55 2.040 10.157 1.989 1.00 0.00 C ATOM 1958 O SER B 55 2.897 9.471 1.436 1.00 0.00 O ATOM 1959 CB SER B 55 2.298 10.679 4.440 1.00 0.00 C ATOM 1960 OG SER B 55 3.625 10.231 4.653 1.00 0.00 O ATOM 0 H SER B 55 2.580 7.999 3.180 1.00 0.00 H new ATOM 0 HA SER B 55 0.505 10.024 3.459 1.00 0.00 H new ATOM 0 HB2 SER B 55 2.312 11.717 4.106 1.00 0.00 H new ATOM 0 HB3 SER B 55 1.749 10.655 5.381 1.00 0.00 H new ATOM 0 HG SER B 55 4.060 10.803 5.319 1.00 0.00 H new ATOM 1966 N VAL B 56 1.462 11.203 1.403 1.00 0.00 N ATOM 1967 CA VAL B 56 1.909 11.686 0.105 1.00 0.00 C ATOM 1968 C VAL B 56 3.273 12.376 0.258 1.00 0.00 C ATOM 1969 O VAL B 56 3.799 12.413 1.374 1.00 0.00 O ATOM 1970 CB VAL B 56 0.857 12.594 -0.576 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.321 11.765 -1.056 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.380 13.686 0.357 1.00 0.00 C ATOM 0 H VAL B 56 0.687 11.728 1.807 1.00 0.00 H new ATOM 0 HA VAL B 56 2.029 10.833 -0.563 1.00 0.00 H new ATOM 0 HB VAL B 56 1.333 13.070 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.054 12.416 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.026 11.022 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.782 11.262 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.358 14.305 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.073 13.237 1.241 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.226 14.304 0.657 1.00 0.00 H new ATOM 1982 N PRO B 57 3.757 13.122 -0.765 1.00 0.00 N ATOM 1983 CA PRO B 57 5.131 13.080 -1.220 1.00 0.00 C ATOM 1984 C PRO B 57 5.965 11.921 -0.678 1.00 0.00 C ATOM 1985 O PRO B 57 6.576 11.993 0.388 1.00 0.00 O ATOM 1986 CB PRO B 57 5.578 14.464 -0.787 1.00 0.00 C ATOM 1987 CG PRO B 57 4.351 15.311 -1.066 1.00 0.00 C ATOM 1988 CD PRO B 57 3.192 14.340 -1.305 1.00 0.00 C ATOM 0 HA PRO B 57 5.252 12.877 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.857 14.489 0.267 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.444 14.806 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO B 57 4.136 15.970 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.509 15.947 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.283 14.642 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.939 14.248 -2.361 1.00 0.00 H new ATOM 1996 N ALA B 58 5.958 10.837 -1.458 1.00 0.00 N ATOM 1997 CA ALA B 58 6.710 9.626 -1.159 1.00 0.00 C ATOM 1998 C ALA B 58 7.086 8.922 -2.459 1.00 0.00 C ATOM 1999 O ALA B 58 6.405 9.086 -3.473 1.00 0.00 O ATOM 2000 CB ALA B 58 5.886 8.696 -0.282 1.00 0.00 C ATOM 0 H ALA B 58 5.422 10.780 -2.324 1.00 0.00 H new ATOM 0 HA ALA B 58 7.618 9.896 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.461 7.795 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.639 9.201 0.652 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.967 8.425 -0.802 1.00 0.00 H new ATOM 2006 N LEU B 59 8.157 8.143 -2.438 1.00 0.00 N ATOM 2007 CA LEU B 59 8.608 7.443 -3.634 1.00 0.00 C ATOM 2008 C LEU B 59 8.875 5.973 -3.309 1.00 0.00 C ATOM 2009 O LEU B 59 9.567 5.655 -2.344 1.00 0.00 O ATOM 2010 CB LEU B 59 9.870 8.122 -4.188 1.00 0.00 C ATOM 2011 CG LEU B 59 10.157 7.899 -5.681 1.00 0.00 C ATOM 2012 CD1 LEU B 59 11.151 8.932 -6.185 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.692 6.499 -5.940 1.00 0.00 C ATOM 0 H LEU B 59 8.729 7.979 -1.610 1.00 0.00 H new ATOM 0 HA LEU B 59 7.830 7.487 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU B 59 9.789 9.194 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.729 7.769 -3.617 1.00 0.00 H new ATOM 0 HG LEU B 59 9.216 8.009 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.346 8.763 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU B 59 10.739 9.931 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU B 59 12.083 8.844 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU B 59 10.884 6.374 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU B 59 11.619 6.355 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU B 59 9.957 5.763 -5.616 1.00 0.00 H new ATOM 2025 N VAL B 60 8.307 5.084 -4.109 1.00 0.00 N ATOM 2026 CA VAL B 60 8.480 3.652 -3.917 1.00 0.00 C ATOM 2027 C VAL B 60 9.620 3.129 -4.786 1.00 0.00 C ATOM 2028 O VAL B 60 9.518 3.105 -6.014 1.00 0.00 O ATOM 2029 CB VAL B 60 7.186 2.878 -4.253 1.00 0.00 C ATOM 2030 CG1 VAL B 60 7.367 1.385 -4.019 1.00 0.00 C ATOM 2031 CG2 VAL B 60 6.018 3.408 -3.434 1.00 0.00 C ATOM 0 H VAL B 60 7.718 5.332 -4.904 1.00 0.00 H new ATOM 0 HA VAL B 60 8.720 3.492 -2.866 1.00 0.00 H new ATOM 0 HB VAL B 60 6.966 3.031 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL B 60 6.441 0.864 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL B 60 8.171 1.012 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL B 60 7.618 1.208 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL B 60 5.115 2.851 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL B 60 6.235 3.290 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.866 4.464 -3.658 1.00 0.00 H new ATOM 2041 N ILE B 61 10.701 2.720 -4.139 1.00 0.00 N ATOM 2042 CA ILE B 61 11.865 2.197 -4.838 1.00 0.00 C ATOM 2043 C ILE B 61 11.853 0.674 -4.817 1.00 0.00 C ATOM 2044 O ILE B 61 11.873 0.064 -3.746 1.00 0.00 O ATOM 2045 CB ILE B 61 13.179 2.713 -4.210 1.00 0.00 C ATOM 2046 CG1 ILE B 61 13.195 4.245 -4.202 1.00 0.00 C ATOM 2047 CG2 ILE B 61 14.386 2.169 -4.967 1.00 0.00 C ATOM 2048 CD1 ILE B 61 14.424 4.839 -3.549 1.00 0.00 C ATOM 0 H ILE B 61 10.796 2.741 -3.124 1.00 0.00 H new ATOM 0 HA ILE B 61 11.816 2.548 -5.869 1.00 0.00 H new ATOM 0 HB ILE B 61 13.235 2.358 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE B 61 13.130 4.605 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.308 4.606 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE B 61 15.302 2.544 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE B 61 14.380 1.080 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE B 61 14.340 2.494 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.363 5.927 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.480 4.510 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE B 61 15.315 4.509 -4.083 1.00 0.00 H new ATOM 2060 N ASP B 62 11.796 0.082 -6.012 1.00 0.00 N ATOM 2061 CA ASP B 62 11.745 -1.372 -6.205 1.00 0.00 C ATOM 2062 C ASP B 62 10.433 -1.954 -5.693 1.00 0.00 C ATOM 2063 O ASP B 62 9.610 -2.433 -6.468 1.00 0.00 O ATOM 2064 CB ASP B 62 12.934 -2.071 -5.536 1.00 0.00 C ATOM 2065 CG ASP B 62 12.877 -3.575 -5.701 1.00 0.00 C ATOM 2066 OD1 ASP B 62 13.252 -4.076 -6.782 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.442 -4.266 -4.754 1.00 0.00 O ATOM 0 H ASP B 62 11.784 0.606 -6.887 1.00 0.00 H new ATOM 0 HA ASP B 62 11.805 -1.553 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP B 62 13.863 -1.695 -5.964 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.949 -1.823 -4.475 1.00 0.00 H new ATOM 2072 N GLY B 63 10.256 -1.919 -4.393 1.00 0.00 N ATOM 2073 CA GLY B 63 9.029 -2.379 -3.781 1.00 0.00 C ATOM 2074 C GLY B 63 8.884 -1.864 -2.364 1.00 0.00 C ATOM 2075 O GLY B 63 8.113 -2.405 -1.573 1.00 0.00 O ATOM 0 H GLY B 63 10.952 -1.574 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY B 63 8.178 -2.049 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY B 63 9.011 -3.469 -3.776 1.00 0.00 H new ATOM 2079 N ALA B 64 9.628 -0.812 -2.047 1.00 0.00 N ATOM 2080 CA ALA B 64 9.613 -0.233 -0.713 1.00 0.00 C ATOM 2081 C ALA B 64 9.287 1.254 -0.789 1.00 0.00 C ATOM 2082 O ALA B 64 9.861 1.980 -1.599 1.00 0.00 O ATOM 2083 CB ALA B 64 10.953 -0.453 -0.026 1.00 0.00 C ATOM 0 H ALA B 64 10.253 -0.341 -2.701 1.00 0.00 H new ATOM 0 HA ALA B 64 8.840 -0.727 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.927 -0.014 0.971 1.00 0.00 H new ATOM 0 HB2 ALA B 64 11.150 -1.522 0.053 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.743 0.020 -0.610 1.00 0.00 H new ATOM 2089 N ALA B 65 8.363 1.698 0.048 1.00 0.00 N ATOM 2090 CA ALA B 65 7.910 3.081 0.023 1.00 0.00 C ATOM 2091 C ALA B 65 8.773 3.963 0.919 1.00 0.00 C ATOM 2092 O ALA B 65 8.813 3.777 2.135 1.00 0.00 O ATOM 2093 CB ALA B 65 6.451 3.165 0.447 1.00 0.00 C ATOM 0 H ALA B 65 7.910 1.119 0.755 1.00 0.00 H new ATOM 0 HA ALA B 65 8.004 3.447 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.125 4.205 0.424 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.839 2.577 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.343 2.773 1.458 1.00 0.00 H new ATOM 2099 N PHE B 66 9.470 4.911 0.311 1.00 0.00 N ATOM 2100 CA PHE B 66 10.273 5.868 1.053 1.00 0.00 C ATOM 2101 C PHE B 66 9.712 7.269 0.873 1.00 0.00 C ATOM 2102 O PHE B 66 9.709 7.811 -0.230 1.00 0.00 O ATOM 2103 CB PHE B 66 11.733 5.827 0.597 1.00 0.00 C ATOM 2104 CG PHE B 66 12.411 4.515 0.873 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.952 4.251 2.121 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.508 3.549 -0.114 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.575 3.046 2.379 1.00 0.00 C ATOM 2108 CE2 PHE B 66 13.129 2.344 0.139 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.663 2.091 1.386 1.00 0.00 C ATOM 0 H PHE B 66 9.495 5.037 -0.701 1.00 0.00 H new ATOM 0 HA PHE B 66 10.236 5.599 2.109 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.777 6.032 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.284 6.624 1.097 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.886 4.996 2.900 1.00 0.00 H new ATOM 0 HD2 PHE B 66 12.093 3.741 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.993 2.851 3.356 1.00 0.00 H new ATOM 0 HE2 PHE B 66 13.197 1.598 -0.639 1.00 0.00 H new ATOM 0 HZ PHE B 66 14.149 1.147 1.585 1.00 0.00 H new ATOM 2119 N HIS B 67 9.220 7.837 1.955 1.00 0.00 N ATOM 2120 CA HIS B 67 8.625 9.164 1.919 1.00 0.00 C ATOM 2121 C HIS B 67 9.706 10.224 1.744 1.00 0.00 C ATOM 2122 O HIS B 67 10.722 10.204 2.439 1.00 0.00 O ATOM 2123 CB HIS B 67 7.828 9.421 3.204 1.00 0.00 C ATOM 2124 CG HIS B 67 6.718 8.434 3.433 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.865 7.269 4.152 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.425 8.459 3.026 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.686 6.636 4.159 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.773 7.318 3.491 1.00 0.00 N ATOM 0 H HIS B 67 9.219 7.400 2.877 1.00 0.00 H new ATOM 0 HA HIS B 67 7.945 9.220 1.069 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.509 9.393 4.055 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.407 10.426 3.165 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.722 6.945 4.601 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.971 9.240 2.434 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.504 5.690 4.648 1.00 0.00 H new ATOM 2136 N ILE B 68 9.497 11.131 0.801 1.00 0.00 N ATOM 2137 CA ILE B 68 10.433 12.220 0.574 1.00 0.00 C ATOM 2138 C ILE B 68 9.997 13.418 1.397 1.00 0.00 C ATOM 2139 O ILE B 68 9.090 14.153 1.001 1.00 0.00 O ATOM 2140 CB ILE B 68 10.516 12.619 -0.916 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.820 11.394 -1.789 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.578 13.693 -1.115 1.00 0.00 C ATOM 2143 CD1 ILE B 68 12.131 10.709 -1.452 1.00 0.00 C ATOM 0 H ILE B 68 8.687 11.134 0.181 1.00 0.00 H new ATOM 0 HA ILE B 68 11.425 11.882 0.875 1.00 0.00 H new ATOM 0 HB ILE B 68 9.550 13.022 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE B 68 10.008 10.675 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE B 68 10.840 11.701 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.627 13.966 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.321 14.572 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.547 13.311 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE B 68 12.274 9.853 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE B 68 12.953 11.412 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE B 68 12.108 10.369 -0.417 1.00 0.00 H new ATOM 2155 N ASN B 69 10.645 13.592 2.545 1.00 0.00 N ATOM 2156 CA ASN B 69 10.186 14.526 3.572 1.00 0.00 C ATOM 2157 C ASN B 69 8.859 14.024 4.127 1.00 0.00 C ATOM 2158 O ASN B 69 8.440 12.904 3.837 1.00 0.00 O ATOM 2159 CB ASN B 69 10.019 15.958 3.026 1.00 0.00 C ATOM 2160 CG ASN B 69 11.330 16.602 2.615 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.382 16.311 3.176 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.275 17.494 1.638 1.00 0.00 N ATOM 0 H ASN B 69 11.500 13.093 2.790 1.00 0.00 H new ATOM 0 HA ASN B 69 10.941 14.571 4.357 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.349 15.936 2.167 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.542 16.576 3.787 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.125 17.965 1.329 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.382 17.711 1.195 1.00 0.00 H new ATOM 2169 N PHE B 70 8.209 14.828 4.940 1.00 0.00 N ATOM 2170 CA PHE B 70 6.872 14.499 5.383 1.00 0.00 C ATOM 2171 C PHE B 70 5.874 15.291 4.555 1.00 0.00 C ATOM 2172 O PHE B 70 5.693 16.491 4.777 1.00 0.00 O ATOM 2173 CB PHE B 70 6.698 14.801 6.874 1.00 0.00 C ATOM 2174 CG PHE B 70 5.379 14.340 7.433 1.00 0.00 C ATOM 2175 CD1 PHE B 70 5.185 13.011 7.771 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.337 15.235 7.620 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.977 12.582 8.286 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.127 14.812 8.134 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.946 13.484 8.467 1.00 0.00 C ATOM 0 H PHE B 70 8.580 15.705 5.305 1.00 0.00 H new ATOM 0 HA PHE B 70 6.698 13.432 5.245 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.505 14.323 7.429 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.794 15.875 7.032 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.987 12.302 7.630 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.473 16.275 7.361 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.839 11.543 8.547 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.323 15.519 8.275 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.000 13.151 8.868 1.00 0.00 H new ATOM 2189 N GLY B 71 5.267 14.636 3.573 1.00 0.00 N ATOM 2190 CA GLY B 71 4.303 15.302 2.744 1.00 0.00 C ATOM 2191 C GLY B 71 3.000 15.493 3.468 1.00 0.00 C ATOM 2192 O GLY B 71 2.861 16.401 4.287 1.00 0.00 O ATOM 0 H GLY B 71 5.431 13.656 3.342 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.694 16.271 2.434 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.136 14.720 1.837 1.00 0.00 H new ATOM 2196 N ALA B 72 2.037 14.643 3.176 1.00 0.00 N ATOM 2197 CA ALA B 72 0.733 14.755 3.840 1.00 0.00 C ATOM 2198 C ALA B 72 0.169 13.388 4.188 1.00 0.00 C ATOM 2199 O ALA B 72 0.144 12.498 3.345 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.251 15.552 2.994 1.00 0.00 C ATOM 0 H ALA B 72 2.117 13.881 2.502 1.00 0.00 H new ATOM 0 HA ALA B 72 0.887 15.297 4.773 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.207 15.617 3.513 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.141 16.555 2.828 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.392 15.055 2.034 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.299 13.232 5.422 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.843 11.954 5.855 1.00 0.00 C ATOM 2208 C GLY B 73 -2.007 11.519 4.987 1.00 0.00 C ATOM 2209 O GLY B 73 -2.977 12.258 4.838 1.00 0.00 O ATOM 0 H GLY B 73 -0.312 13.966 6.131 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -0.061 11.195 5.822 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.170 12.030 6.892 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.923 10.323 4.415 1.00 0.00 N ATOM 2214 CA ILE B 74 -2.918 9.876 3.447 1.00 0.00 C ATOM 2215 C ILE B 74 -4.279 9.658 4.110 1.00 0.00 C ATOM 2216 O ILE B 74 -5.321 9.751 3.462 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.467 8.591 2.716 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.314 8.373 1.459 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.556 7.380 3.639 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -2.804 7.266 0.563 1.00 0.00 C ATOM 0 H ILE B 74 -1.181 9.649 4.603 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.018 10.669 2.706 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.425 8.712 2.419 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.337 8.144 1.757 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.348 9.302 0.890 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.233 6.488 3.101 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.912 7.534 4.505 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.586 7.251 3.971 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.456 7.172 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.792 7.502 0.234 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.797 6.326 1.115 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.274 9.390 5.410 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.523 9.242 6.140 1.00 0.00 C ATOM 2234 C ASP B 75 -6.084 10.616 6.472 1.00 0.00 C ATOM 2235 O ASP B 75 -7.293 10.807 6.540 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.331 8.429 7.416 1.00 0.00 C ATOM 2237 CG ASP B 75 -6.656 7.960 7.982 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -7.211 6.977 7.444 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -7.153 8.574 8.950 1.00 0.00 O ATOM 0 H ASP B 75 -3.431 9.272 5.972 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.227 8.702 5.507 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.698 7.567 7.207 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.811 9.034 8.159 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.182 11.576 6.643 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.561 12.966 6.877 1.00 0.00 C ATOM 2246 C ASP B 76 -6.133 13.566 5.596 1.00 0.00 C ATOM 2247 O ASP B 76 -6.923 14.509 5.629 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.343 13.766 7.357 1.00 0.00 C ATOM 2249 CG ASP B 76 -4.622 15.250 7.499 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -5.276 15.648 8.487 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -4.180 16.023 6.626 1.00 0.00 O ATOM 0 H ASP B 76 -4.175 11.416 6.624 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.326 13.008 7.652 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -4.013 13.371 8.318 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -3.522 13.623 6.654 1.00 0.00 H new ATOM 2256 N LEU B 77 -5.742 12.983 4.464 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.249 13.397 3.159 1.00 0.00 C ATOM 2258 C LEU B 77 -7.709 12.990 2.984 1.00 0.00 C ATOM 2259 O LEU B 77 -8.375 13.426 2.045 1.00 0.00 O ATOM 2260 CB LEU B 77 -5.408 12.789 2.036 1.00 0.00 C ATOM 2261 CG LEU B 77 -3.946 13.235 1.997 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.213 12.538 0.864 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -3.849 14.747 1.845 1.00 0.00 C ATOM 0 H LEU B 77 -5.070 12.216 4.426 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.181 14.484 3.108 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.437 11.703 2.130 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -5.872 13.038 1.082 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.475 12.956 2.940 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.173 12.865 0.848 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.252 11.459 1.015 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -3.687 12.789 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.800 15.044 1.819 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -4.335 15.051 0.918 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -4.342 15.230 2.689 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.203 12.144 3.884 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.614 11.786 3.891 1.00 0.00 C ATOM 2277 C LYS B 78 -10.426 12.947 4.453 1.00 0.00 C ATOM 2278 O LYS B 78 -11.654 12.986 4.345 1.00 0.00 O ATOM 2279 CB LYS B 78 -9.861 10.519 4.715 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.160 9.282 4.176 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.583 8.033 4.935 1.00 0.00 C ATOM 2282 CE LYS B 78 -8.871 6.791 4.419 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.411 6.822 4.703 1.00 0.00 N ATOM 0 H LYS B 78 -7.648 11.697 4.614 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.926 11.581 2.867 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -9.530 10.694 5.739 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -10.933 10.328 4.755 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -9.391 9.163 3.117 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -8.080 9.410 4.254 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -9.367 8.162 5.996 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -10.661 7.899 4.843 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -9.310 5.905 4.878 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -9.029 6.704 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -7.008 5.875 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -6.947 7.499 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -7.255 7.114 5.689 1.00 0.00 H new