USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=33 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= 0.791 K(o=2.1,f=-13!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.29 K(o=2.1,f=-14!) USER MOD Set 2.1: B 9 HIS : no HD1:sc= 0.531 K(o=2.4,f=-4.7!) USER MOD Set 2.2: B 15 CYS SG : rot 126:sc= 0.275 USER MOD Set 2.3: B 37 HIS : no HD1:sc= 0.424 K(o=2.4,f=-5.3!) USER MOD Set 2.4: B 40 THR OG1 : rot 56:sc= 1.19 USER MOD Set 3.1: A 69 ASN : amide:sc= 1.05 K(o=-1,f=-11!) USER MOD Set 3.2: B 67 HIS : no HE2:sc= -2.07 K(o=-1,f=-5.5!) USER MOD Set 4.1: A 9 HIS : no HE2:sc= -1.74! K(o=-0.94!,f=-1.8) USER MOD Set 4.2: A 37 HIS : no HD1:sc= -0.597! K(o=-0.94!,f=-5.1) USER MOD Set 4.3: A 40 THR OG1 : rot 66:sc= 1.4 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.15 (180deg=0.984) USER MOD Single : A 8 TYR OH : rot 7:sc= 0.0271 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 80:sc= -2.52! USER MOD Single : A 17 SER OG : rot 72:sc= 0.309 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 24 ASN : amide:sc= -0.0382 K(o=-0.038,f=-1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0315 (180deg=-0.228) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0684) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0213 (180deg=-0.281) USER MOD Single : A 55 SER OG : rot -135:sc= 0.0923 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.19) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.14) USER MOD Single : B 8 TYR OH : rot 180:sc= -0.408 USER MOD Single : B 12 CYS SG : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 24 ASN :FLIP amide:sc= -0.0415 F(o=-0.8,f=-0.042) USER MOD Single : B 29 SER OG : rot 48:sc= 1.21 USER MOD Single : B 30 LYS NZ :NH3+ 165:sc= -0.099 (180deg=-0.334) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 173:sc= 0.314 (180deg=0.195) USER MOD Single : B 55 SER OG : rot 130:sc= -0.0126 USER MOD Single : B 78 LYS NZ :NH3+ 163:sc= 2.48 (180deg=2.35) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 28.611 15.064 -11.272 1.00 0.00 N ATOM 20 CA ALA A 2 28.225 14.352 -10.066 1.00 0.00 C ATOM 21 C ALA A 2 27.910 15.346 -8.958 1.00 0.00 C ATOM 22 O ALA A 2 28.803 16.010 -8.436 1.00 0.00 O ATOM 23 CB ALA A 2 29.325 13.392 -9.636 1.00 0.00 C ATOM 0 HA ALA A 2 27.330 13.765 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 2 29.017 12.868 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 2 29.507 12.668 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 2 30.239 13.951 -9.438 1.00 0.00 H new ATOM 29 N SER A 3 26.635 15.466 -8.624 1.00 0.00 N ATOM 30 CA SER A 3 26.198 16.425 -7.623 1.00 0.00 C ATOM 31 C SER A 3 26.461 15.887 -6.218 1.00 0.00 C ATOM 32 O SER A 3 26.423 14.679 -5.991 1.00 0.00 O ATOM 33 CB SER A 3 24.712 16.742 -7.811 1.00 0.00 C ATOM 34 OG SER A 3 24.296 17.794 -6.959 1.00 0.00 O ATOM 0 H SER A 3 25.884 14.910 -9.032 1.00 0.00 H new ATOM 0 HA SER A 3 26.768 17.346 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.526 17.017 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.120 15.850 -7.606 1.00 0.00 H new ATOM 0 HG SER A 3 23.344 17.975 -7.103 1.00 0.00 H new ATOM 40 N LYS A 4 26.731 16.793 -5.291 1.00 0.00 N ATOM 41 CA LYS A 4 27.045 16.433 -3.916 1.00 0.00 C ATOM 42 C LYS A 4 25.778 16.034 -3.162 1.00 0.00 C ATOM 43 O LYS A 4 24.890 16.854 -2.949 1.00 0.00 O ATOM 44 CB LYS A 4 27.727 17.621 -3.229 1.00 0.00 C ATOM 45 CG LYS A 4 28.125 17.376 -1.783 1.00 0.00 C ATOM 46 CD LYS A 4 28.730 18.629 -1.169 1.00 0.00 C ATOM 47 CE LYS A 4 29.049 18.441 0.304 1.00 0.00 C ATOM 48 NZ LYS A 4 30.151 17.466 0.525 1.00 0.00 N ATOM 0 H LYS A 4 26.739 17.797 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 4 27.720 15.577 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.618 17.889 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.056 18.479 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.251 17.069 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.843 16.558 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.641 18.893 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.037 19.462 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 4 29.325 19.402 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.155 18.100 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.389 17.435 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 29.847 16.522 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.988 17.759 -0.019 1.00 0.00 H new ATOM 62 N ALA A 5 25.695 14.771 -2.771 1.00 0.00 N ATOM 63 CA ALA A 5 24.528 14.270 -2.063 1.00 0.00 C ATOM 64 C ALA A 5 24.934 13.610 -0.752 1.00 0.00 C ATOM 65 O ALA A 5 25.501 12.516 -0.744 1.00 0.00 O ATOM 66 CB ALA A 5 23.757 13.293 -2.937 1.00 0.00 C ATOM 0 H ALA A 5 26.423 14.075 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 5 23.879 15.114 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.886 12.927 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.431 13.798 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.401 12.453 -3.199 1.00 0.00 H new ATOM 72 N ILE A 6 24.652 14.274 0.355 1.00 0.00 N ATOM 73 CA ILE A 6 25.021 13.755 1.660 1.00 0.00 C ATOM 74 C ILE A 6 23.860 12.993 2.284 1.00 0.00 C ATOM 75 O ILE A 6 22.752 13.514 2.410 1.00 0.00 O ATOM 76 CB ILE A 6 25.470 14.868 2.627 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.593 15.704 2.009 1.00 0.00 C ATOM 78 CG2 ILE A 6 25.929 14.263 3.946 1.00 0.00 C ATOM 79 CD1 ILE A 6 27.062 16.835 2.901 1.00 0.00 C ATOM 0 H ILE A 6 24.169 15.172 0.376 1.00 0.00 H new ATOM 0 HA ILE A 6 25.864 13.082 1.499 1.00 0.00 H new ATOM 0 HB ILE A 6 24.620 15.523 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.439 15.054 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 6 26.249 16.118 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.244 15.059 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.107 13.708 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.766 13.588 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 6 27.859 17.386 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 6 26.228 17.507 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.437 16.427 3.839 1.00 0.00 H new ATOM 91 N PHE A 7 24.124 11.763 2.670 1.00 0.00 N ATOM 92 CA PHE A 7 23.133 10.919 3.302 1.00 0.00 C ATOM 93 C PHE A 7 23.346 10.922 4.812 1.00 0.00 C ATOM 94 O PHE A 7 24.247 10.254 5.324 1.00 0.00 O ATOM 95 CB PHE A 7 23.226 9.496 2.742 1.00 0.00 C ATOM 96 CG PHE A 7 22.197 8.547 3.287 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.870 8.646 2.898 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.557 7.551 4.180 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.926 7.767 3.388 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.616 6.670 4.675 1.00 0.00 C ATOM 101 CZ PHE A 7 20.298 6.779 4.279 1.00 0.00 C ATOM 0 H PHE A 7 25.035 11.319 2.554 1.00 0.00 H new ATOM 0 HA PHE A 7 22.136 11.306 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.126 9.538 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.218 9.099 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.572 9.419 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.587 7.462 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.896 7.851 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.910 5.898 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.559 6.093 4.665 1.00 0.00 H new ATOM 111 N TYR A 8 22.542 11.705 5.512 1.00 0.00 N ATOM 112 CA TYR A 8 22.633 11.796 6.961 1.00 0.00 C ATOM 113 C TYR A 8 21.755 10.742 7.620 1.00 0.00 C ATOM 114 O TYR A 8 20.575 10.620 7.297 1.00 0.00 O ATOM 115 CB TYR A 8 22.201 13.182 7.457 1.00 0.00 C ATOM 116 CG TYR A 8 23.174 14.305 7.162 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.307 14.492 7.945 1.00 0.00 C ATOM 118 CD2 TYR A 8 22.945 15.195 6.120 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.183 15.536 7.700 1.00 0.00 C ATOM 120 CE2 TYR A 8 23.818 16.236 5.865 1.00 0.00 C ATOM 121 CZ TYR A 8 24.935 16.403 6.658 1.00 0.00 C ATOM 122 OH TYR A 8 25.802 17.445 6.411 1.00 0.00 O ATOM 0 H TYR A 8 21.816 12.290 5.099 1.00 0.00 H new ATOM 0 HA TYR A 8 23.675 11.628 7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.240 13.428 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.044 13.132 8.535 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.508 13.811 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.070 15.071 5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.056 15.670 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.627 16.916 5.048 1.00 0.00 H new ATOM 0 HH TYR A 8 26.589 17.360 6.989 1.00 0.00 H new ATOM 132 N HIS A 9 22.331 9.978 8.530 1.00 0.00 N ATOM 133 CA HIS A 9 21.567 9.036 9.334 1.00 0.00 C ATOM 134 C HIS A 9 22.218 8.900 10.703 1.00 0.00 C ATOM 135 O HIS A 9 23.399 9.194 10.854 1.00 0.00 O ATOM 136 CB HIS A 9 21.442 7.674 8.633 1.00 0.00 C ATOM 137 CG HIS A 9 22.727 6.914 8.493 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.917 5.721 9.141 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.826 7.197 7.755 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.116 5.300 8.782 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.707 6.164 7.946 1.00 0.00 N ATOM 0 H HIS A 9 23.331 9.990 8.733 1.00 0.00 H new ATOM 0 HA HIS A 9 20.554 9.418 9.461 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.733 7.060 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.020 7.830 7.640 1.00 0.00 H new ATOM 0 HD1 HIS A 9 22.265 5.254 9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.979 8.068 7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.563 4.377 9.119 1.00 0.00 H new ATOM 149 N ALA A 10 21.457 8.485 11.706 1.00 0.00 N ATOM 150 CA ALA A 10 21.977 8.447 13.067 1.00 0.00 C ATOM 151 C ALA A 10 21.481 7.233 13.842 1.00 0.00 C ATOM 152 O ALA A 10 21.638 7.168 15.060 1.00 0.00 O ATOM 153 CB ALA A 10 21.601 9.724 13.803 1.00 0.00 C ATOM 0 H ALA A 10 20.491 8.174 11.607 1.00 0.00 H new ATOM 0 HA ALA A 10 23.062 8.367 12.998 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.993 9.687 14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 10 22.024 10.583 13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.516 9.819 13.836 1.00 0.00 H new ATOM 159 N GLY A 11 20.903 6.267 13.146 1.00 0.00 N ATOM 160 CA GLY A 11 20.399 5.096 13.819 1.00 0.00 C ATOM 161 C GLY A 11 20.907 3.832 13.181 1.00 0.00 C ATOM 162 O GLY A 11 22.100 3.532 13.250 1.00 0.00 O ATOM 0 H GLY A 11 20.776 6.275 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.697 5.121 14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.309 5.103 13.797 1.00 0.00 H new ATOM 166 N CYS A 12 20.008 3.120 12.525 1.00 0.00 N ATOM 167 CA CYS A 12 20.338 1.854 11.885 1.00 0.00 C ATOM 168 C CYS A 12 19.144 1.313 11.083 1.00 0.00 C ATOM 169 O CYS A 12 19.219 1.256 9.861 1.00 0.00 O ATOM 170 CB CYS A 12 20.820 0.822 12.919 1.00 0.00 C ATOM 171 SG CYS A 12 21.341 -0.761 12.214 1.00 0.00 S ATOM 0 H CYS A 12 19.033 3.399 12.420 1.00 0.00 H new ATOM 0 HA CYS A 12 21.155 2.036 11.187 1.00 0.00 H new ATOM 0 HB2 CYS A 12 21.653 1.248 13.478 1.00 0.00 H new ATOM 0 HB3 CYS A 12 20.017 0.640 13.633 1.00 0.00 H new ATOM 0 HG CYS A 12 21.729 -1.554 13.168 1.00 0.00 H new ATOM 177 N PRO A 13 18.004 0.965 11.738 1.00 0.00 N ATOM 178 CA PRO A 13 16.884 0.269 11.074 1.00 0.00 C ATOM 179 C PRO A 13 16.437 0.933 9.769 1.00 0.00 C ATOM 180 O PRO A 13 16.713 0.428 8.682 1.00 0.00 O ATOM 181 CB PRO A 13 15.749 0.311 12.111 1.00 0.00 C ATOM 182 CG PRO A 13 16.199 1.268 13.166 1.00 0.00 C ATOM 183 CD PRO A 13 17.697 1.221 13.155 1.00 0.00 C ATOM 0 HA PRO A 13 17.177 -0.739 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.815 0.641 11.656 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.567 -0.678 12.532 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.839 2.276 12.958 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.807 0.985 14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 13 18.134 2.158 13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 13 18.082 0.432 13.801 1.00 0.00 H new ATOM 191 N VAL A 14 15.771 2.076 9.886 1.00 0.00 N ATOM 192 CA VAL A 14 15.249 2.786 8.719 1.00 0.00 C ATOM 193 C VAL A 14 16.387 3.365 7.875 1.00 0.00 C ATOM 194 O VAL A 14 16.237 3.605 6.678 1.00 0.00 O ATOM 195 CB VAL A 14 14.296 3.927 9.149 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.611 4.554 7.943 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.264 3.419 10.145 1.00 0.00 C ATOM 0 H VAL A 14 15.578 2.533 10.777 1.00 0.00 H new ATOM 0 HA VAL A 14 14.694 2.065 8.119 1.00 0.00 H new ATOM 0 HB VAL A 14 14.895 4.697 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.948 5.352 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.364 4.964 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.031 3.795 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.604 4.237 10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.676 2.624 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.771 3.032 11.029 1.00 0.00 H new ATOM 207 N CYS A 15 17.533 3.564 8.509 1.00 0.00 N ATOM 208 CA CYS A 15 18.684 4.158 7.846 1.00 0.00 C ATOM 209 C CYS A 15 19.274 3.198 6.814 1.00 0.00 C ATOM 210 O CYS A 15 19.531 3.583 5.673 1.00 0.00 O ATOM 211 CB CYS A 15 19.733 4.539 8.889 1.00 0.00 C ATOM 212 SG CYS A 15 19.087 5.594 10.211 1.00 0.00 S ATOM 0 H CYS A 15 17.691 3.321 9.487 1.00 0.00 H new ATOM 0 HA CYS A 15 18.363 5.056 7.318 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.144 3.630 9.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.556 5.054 8.394 1.00 0.00 H new ATOM 0 HG CYS A 15 18.454 4.863 11.080 1.00 0.00 H new ATOM 218 N VAL A 16 19.462 1.945 7.214 1.00 0.00 N ATOM 219 CA VAL A 16 20.012 0.927 6.327 1.00 0.00 C ATOM 220 C VAL A 16 19.048 0.636 5.179 1.00 0.00 C ATOM 221 O VAL A 16 19.471 0.347 4.059 1.00 0.00 O ATOM 222 CB VAL A 16 20.328 -0.378 7.095 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.854 -1.456 6.159 1.00 0.00 C ATOM 224 CG2 VAL A 16 21.332 -0.107 8.206 1.00 0.00 C ATOM 0 H VAL A 16 19.240 1.609 8.151 1.00 0.00 H new ATOM 0 HA VAL A 16 20.944 1.316 5.918 1.00 0.00 H new ATOM 0 HB VAL A 16 19.400 -0.741 7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.067 -2.361 6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.105 -1.674 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.768 -1.107 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 16 21.545 -1.034 8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 16 22.254 0.285 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.917 0.623 8.901 1.00 0.00 H new ATOM 234 N SER A 17 17.751 0.743 5.459 1.00 0.00 N ATOM 235 CA SER A 17 16.727 0.556 4.440 1.00 0.00 C ATOM 236 C SER A 17 16.961 1.514 3.272 1.00 0.00 C ATOM 237 O SER A 17 16.916 1.118 2.107 1.00 0.00 O ATOM 238 CB SER A 17 15.341 0.798 5.038 1.00 0.00 C ATOM 239 OG SER A 17 15.174 0.084 6.252 1.00 0.00 O ATOM 0 H SER A 17 17.386 0.959 6.387 1.00 0.00 H new ATOM 0 HA SER A 17 16.784 -0.469 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.201 1.864 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.576 0.492 4.325 1.00 0.00 H new ATOM 0 HG SER A 17 15.713 0.503 6.955 1.00 0.00 H new ATOM 245 N ALA A 18 17.236 2.771 3.596 1.00 0.00 N ATOM 246 CA ALA A 18 17.478 3.782 2.579 1.00 0.00 C ATOM 247 C ALA A 18 18.872 3.632 1.979 1.00 0.00 C ATOM 248 O ALA A 18 19.085 3.924 0.803 1.00 0.00 O ATOM 249 CB ALA A 18 17.295 5.172 3.166 1.00 0.00 C ATOM 0 H ALA A 18 17.297 3.113 4.555 1.00 0.00 H new ATOM 0 HA ALA A 18 16.752 3.642 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.479 5.920 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.276 5.278 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.998 5.316 3.986 1.00 0.00 H new ATOM 255 N GLU A 19 19.814 3.163 2.789 1.00 0.00 N ATOM 256 CA GLU A 19 21.188 2.968 2.337 1.00 0.00 C ATOM 257 C GLU A 19 21.256 1.893 1.252 1.00 0.00 C ATOM 258 O GLU A 19 21.938 2.055 0.241 1.00 0.00 O ATOM 259 CB GLU A 19 22.088 2.571 3.512 1.00 0.00 C ATOM 260 CG GLU A 19 23.563 2.521 3.151 1.00 0.00 C ATOM 261 CD GLU A 19 24.410 1.838 4.207 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.761 2.484 5.212 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.751 0.651 4.020 1.00 0.00 O ATOM 0 H GLU A 19 19.652 2.910 3.764 1.00 0.00 H new ATOM 0 HA GLU A 19 21.540 3.911 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.945 3.281 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.779 1.594 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.682 1.996 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.929 3.537 3.001 1.00 0.00 H new ATOM 270 N GLN A 20 20.541 0.798 1.465 1.00 0.00 N ATOM 271 CA GLN A 20 20.574 -0.324 0.535 1.00 0.00 C ATOM 272 C GLN A 20 19.681 -0.081 -0.677 1.00 0.00 C ATOM 273 O GLN A 20 19.962 -0.572 -1.769 1.00 0.00 O ATOM 274 CB GLN A 20 20.153 -1.611 1.241 1.00 0.00 C ATOM 275 CG GLN A 20 21.096 -2.023 2.357 1.00 0.00 C ATOM 276 CD GLN A 20 20.676 -3.315 3.025 1.00 0.00 C ATOM 277 OE1 GLN A 20 19.491 -3.636 3.100 1.00 0.00 O ATOM 278 NE2 GLN A 20 21.646 -4.067 3.517 1.00 0.00 N ATOM 0 H GLN A 20 19.932 0.661 2.272 1.00 0.00 H new ATOM 0 HA GLN A 20 21.600 -0.424 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.152 -1.481 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.095 -2.416 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.102 -2.137 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.139 -1.230 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.617 -3.765 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.423 -4.949 3.979 1.00 0.00 H new ATOM 287 N ALA A 21 18.609 0.673 -0.490 1.00 0.00 N ATOM 288 CA ALA A 21 17.670 0.920 -1.574 1.00 0.00 C ATOM 289 C ALA A 21 18.003 2.206 -2.326 1.00 0.00 C ATOM 290 O ALA A 21 18.400 2.167 -3.487 1.00 0.00 O ATOM 291 CB ALA A 21 16.248 0.971 -1.043 1.00 0.00 C ATOM 0 H ALA A 21 18.368 1.121 0.394 1.00 0.00 H new ATOM 0 HA ALA A 21 17.755 0.093 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.559 1.157 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.002 0.020 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.162 1.773 -0.310 1.00 0.00 H new ATOM 297 N VAL A 22 17.864 3.338 -1.649 1.00 0.00 N ATOM 298 CA VAL A 22 17.999 4.642 -2.293 1.00 0.00 C ATOM 299 C VAL A 22 19.444 4.920 -2.707 1.00 0.00 C ATOM 300 O VAL A 22 19.705 5.322 -3.840 1.00 0.00 O ATOM 301 CB VAL A 22 17.508 5.777 -1.369 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.590 7.125 -2.071 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.087 5.507 -0.896 1.00 0.00 C ATOM 0 H VAL A 22 17.657 3.382 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 22 17.377 4.614 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 22 18.162 5.808 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.238 7.907 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.624 7.326 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.967 7.108 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.760 6.318 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.423 5.442 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.059 4.567 -0.345 1.00 0.00 H new ATOM 313 N ALA A 23 20.380 4.680 -1.795 1.00 0.00 N ATOM 314 CA ALA A 23 21.785 4.998 -2.041 1.00 0.00 C ATOM 315 C ALA A 23 22.402 4.084 -3.101 1.00 0.00 C ATOM 316 O ALA A 23 23.468 4.380 -3.638 1.00 0.00 O ATOM 317 CB ALA A 23 22.583 4.925 -0.749 1.00 0.00 C ATOM 0 H ALA A 23 20.194 4.268 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 23 21.824 6.017 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.627 5.165 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.180 5.639 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.516 3.918 -0.336 1.00 0.00 H new ATOM 323 N ASN A 24 21.738 2.971 -3.394 1.00 0.00 N ATOM 324 CA ASN A 24 22.218 2.059 -4.429 1.00 0.00 C ATOM 325 C ASN A 24 21.419 2.235 -5.714 1.00 0.00 C ATOM 326 O ASN A 24 21.822 1.769 -6.781 1.00 0.00 O ATOM 327 CB ASN A 24 22.153 0.602 -3.962 1.00 0.00 C ATOM 328 CG ASN A 24 23.144 0.297 -2.853 1.00 0.00 C ATOM 329 OD1 ASN A 24 24.188 0.943 -2.736 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.834 -0.697 -2.038 1.00 0.00 N ATOM 0 H ASN A 24 20.875 2.679 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 24 23.261 2.305 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.144 0.381 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 22.348 -0.056 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.468 -0.952 -1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 24 21.961 -1.208 -2.166 1.00 0.00 H new ATOM 337 N ALA A 25 20.281 2.908 -5.609 1.00 0.00 N ATOM 338 CA ALA A 25 19.475 3.224 -6.779 1.00 0.00 C ATOM 339 C ALA A 25 20.097 4.387 -7.535 1.00 0.00 C ATOM 340 O ALA A 25 19.998 4.478 -8.758 1.00 0.00 O ATOM 341 CB ALA A 25 18.044 3.550 -6.376 1.00 0.00 C ATOM 0 H ALA A 25 19.896 3.245 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 25 19.449 2.352 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.459 3.783 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.605 2.692 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.042 4.409 -5.705 1.00 0.00 H new ATOM 347 N ILE A 26 20.743 5.271 -6.792 1.00 0.00 N ATOM 348 CA ILE A 26 21.469 6.383 -7.377 1.00 0.00 C ATOM 349 C ILE A 26 22.894 5.945 -7.703 1.00 0.00 C ATOM 350 O ILE A 26 23.508 5.197 -6.943 1.00 0.00 O ATOM 351 CB ILE A 26 21.503 7.598 -6.421 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.081 7.975 -5.992 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.189 8.785 -7.086 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.028 9.096 -4.978 1.00 0.00 C ATOM 0 H ILE A 26 20.778 5.237 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 26 20.955 6.685 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 26 22.075 7.324 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.511 8.267 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.592 7.095 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.203 9.630 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.212 8.514 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.644 9.061 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.990 9.307 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.570 8.800 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.487 9.990 -5.400 1.00 0.00 H new ATOM 366 N ASP A 27 23.410 6.394 -8.836 1.00 0.00 N ATOM 367 CA ASP A 27 24.752 6.016 -9.258 1.00 0.00 C ATOM 368 C ASP A 27 25.784 6.954 -8.639 1.00 0.00 C ATOM 369 O ASP A 27 25.630 8.174 -8.700 1.00 0.00 O ATOM 370 CB ASP A 27 24.861 6.044 -10.784 1.00 0.00 C ATOM 371 CG ASP A 27 26.157 5.438 -11.282 1.00 0.00 C ATOM 372 OD1 ASP A 27 27.178 6.149 -11.314 1.00 0.00 O ATOM 373 OD2 ASP A 27 26.157 4.242 -11.646 1.00 0.00 O ATOM 0 H ASP A 27 22.923 7.019 -9.479 1.00 0.00 H new ATOM 0 HA ASP A 27 24.950 5.001 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 27 24.020 5.501 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.788 7.074 -11.132 1.00 0.00 H new ATOM 378 N PRO A 28 26.846 6.399 -8.029 1.00 0.00 N ATOM 379 CA PRO A 28 27.893 7.190 -7.362 1.00 0.00 C ATOM 380 C PRO A 28 28.712 8.052 -8.327 1.00 0.00 C ATOM 381 O PRO A 28 29.469 8.925 -7.902 1.00 0.00 O ATOM 382 CB PRO A 28 28.789 6.134 -6.704 1.00 0.00 C ATOM 383 CG PRO A 28 27.983 4.882 -6.698 1.00 0.00 C ATOM 384 CD PRO A 28 27.100 4.958 -7.906 1.00 0.00 C ATOM 0 HA PRO A 28 27.456 7.901 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.716 6.002 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.065 6.429 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.626 4.003 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.392 4.802 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 28 27.591 4.556 -8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.177 4.394 -7.769 1.00 0.00 H new ATOM 392 N SER A 29 28.576 7.803 -9.621 1.00 0.00 N ATOM 393 CA SER A 29 29.232 8.629 -10.622 1.00 0.00 C ATOM 394 C SER A 29 28.235 9.608 -11.230 1.00 0.00 C ATOM 395 O SER A 29 28.579 10.428 -12.083 1.00 0.00 O ATOM 396 CB SER A 29 29.874 7.754 -11.698 1.00 0.00 C ATOM 397 OG SER A 29 30.873 6.919 -11.130 1.00 0.00 O ATOM 0 H SER A 29 28.019 7.038 -10.001 1.00 0.00 H new ATOM 0 HA SER A 29 30.024 9.205 -10.143 1.00 0.00 H new ATOM 0 HB2 SER A 29 29.112 7.142 -12.180 1.00 0.00 H new ATOM 0 HB3 SER A 29 30.314 8.383 -12.472 1.00 0.00 H new ATOM 0 HG SER A 29 31.273 6.364 -11.832 1.00 0.00 H new ATOM 403 N LYS A 30 26.998 9.511 -10.770 1.00 0.00 N ATOM 404 CA LYS A 30 25.947 10.436 -11.158 1.00 0.00 C ATOM 405 C LYS A 30 25.769 11.463 -10.047 1.00 0.00 C ATOM 406 O LYS A 30 25.624 12.659 -10.294 1.00 0.00 O ATOM 407 CB LYS A 30 24.643 9.667 -11.393 1.00 0.00 C ATOM 408 CG LYS A 30 23.530 10.487 -12.022 1.00 0.00 C ATOM 409 CD LYS A 30 22.230 9.698 -12.059 1.00 0.00 C ATOM 410 CE LYS A 30 21.144 10.434 -12.827 1.00 0.00 C ATOM 411 NZ LYS A 30 21.481 10.565 -14.269 1.00 0.00 N ATOM 0 H LYS A 30 26.695 8.788 -10.117 1.00 0.00 H new ATOM 0 HA LYS A 30 26.215 10.946 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.852 8.810 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.292 9.273 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.386 11.407 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.813 10.777 -13.034 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.407 8.727 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.890 9.509 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.199 9.901 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.001 11.425 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.629 10.835 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.211 11.295 -14.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.838 9.656 -14.626 1.00 0.00 H new ATOM 425 N TYR A 31 25.792 10.967 -8.817 1.00 0.00 N ATOM 426 CA TYR A 31 25.739 11.802 -7.627 1.00 0.00 C ATOM 427 C TYR A 31 26.761 11.305 -6.615 1.00 0.00 C ATOM 428 O TYR A 31 26.926 10.098 -6.434 1.00 0.00 O ATOM 429 CB TYR A 31 24.340 11.783 -6.998 1.00 0.00 C ATOM 430 CG TYR A 31 23.298 12.560 -7.772 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.716 12.037 -8.919 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.894 13.821 -7.350 1.00 0.00 C ATOM 433 CE1 TYR A 31 21.768 12.748 -9.626 1.00 0.00 C ATOM 434 CE2 TYR A 31 21.942 14.536 -8.051 1.00 0.00 C ATOM 435 CZ TYR A 31 21.384 13.996 -9.187 1.00 0.00 C ATOM 436 OH TYR A 31 20.432 14.702 -9.888 1.00 0.00 O ATOM 0 H TYR A 31 25.848 9.968 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 31 25.968 12.828 -7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.010 10.748 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.403 12.189 -5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.010 11.057 -9.264 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.331 14.249 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 31 21.329 12.328 -10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.637 15.514 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 31 20.272 15.563 -9.447 1.00 0.00 H new ATOM 446 N THR A 32 27.451 12.224 -5.967 1.00 0.00 N ATOM 447 CA THR A 32 28.442 11.866 -4.972 1.00 0.00 C ATOM 448 C THR A 32 27.765 11.608 -3.631 1.00 0.00 C ATOM 449 O THR A 32 27.501 12.537 -2.868 1.00 0.00 O ATOM 450 CB THR A 32 29.500 12.975 -4.823 1.00 0.00 C ATOM 451 OG1 THR A 32 30.012 13.323 -6.117 1.00 0.00 O ATOM 452 CG2 THR A 32 30.646 12.524 -3.928 1.00 0.00 C ATOM 0 H THR A 32 27.342 13.228 -6.113 1.00 0.00 H new ATOM 0 HA THR A 32 28.944 10.957 -5.302 1.00 0.00 H new ATOM 0 HB THR A 32 29.026 13.842 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 32 30.684 14.030 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.378 13.327 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.260 12.276 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.122 11.645 -4.362 1.00 0.00 H new ATOM 460 N VAL A 33 27.453 10.345 -3.374 1.00 0.00 N ATOM 461 CA VAL A 33 26.755 9.958 -2.156 1.00 0.00 C ATOM 462 C VAL A 33 27.721 9.855 -0.981 1.00 0.00 C ATOM 463 O VAL A 33 28.597 8.988 -0.957 1.00 0.00 O ATOM 464 CB VAL A 33 26.019 8.611 -2.331 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.226 8.259 -1.080 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.107 8.651 -3.550 1.00 0.00 C ATOM 0 H VAL A 33 27.674 9.568 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 33 26.020 10.736 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 33 26.768 7.835 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.717 7.307 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.904 8.180 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.489 9.038 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.598 7.693 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.368 9.443 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.701 8.846 -4.443 1.00 0.00 H new ATOM 476 N GLU A 34 27.562 10.753 -0.022 1.00 0.00 N ATOM 477 CA GLU A 34 28.389 10.759 1.176 1.00 0.00 C ATOM 478 C GLU A 34 27.577 10.299 2.381 1.00 0.00 C ATOM 479 O GLU A 34 26.679 11.000 2.832 1.00 0.00 O ATOM 480 CB GLU A 34 28.942 12.160 1.429 1.00 0.00 C ATOM 481 CG GLU A 34 29.819 12.682 0.306 1.00 0.00 C ATOM 482 CD GLU A 34 30.277 14.100 0.551 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.085 14.315 1.480 1.00 0.00 O ATOM 484 OE2 GLU A 34 29.826 15.010 -0.170 1.00 0.00 O ATOM 0 H GLU A 34 26.861 11.494 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 34 29.221 10.071 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 28.110 12.848 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.518 12.152 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.689 12.035 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.268 12.637 -0.633 1.00 0.00 H new ATOM 491 N ILE A 35 27.892 9.124 2.893 1.00 0.00 N ATOM 492 CA ILE A 35 27.157 8.559 4.017 1.00 0.00 C ATOM 493 C ILE A 35 27.744 9.046 5.342 1.00 0.00 C ATOM 494 O ILE A 35 28.899 8.759 5.662 1.00 0.00 O ATOM 495 CB ILE A 35 27.172 7.016 3.969 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.626 6.524 2.625 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.358 6.438 5.119 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.687 5.021 2.453 1.00 0.00 C ATOM 0 H ILE A 35 28.653 8.538 2.550 1.00 0.00 H new ATOM 0 HA ILE A 35 26.123 8.896 3.943 1.00 0.00 H new ATOM 0 HB ILE A 35 28.202 6.674 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.591 6.850 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.190 6.995 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.380 5.349 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.784 6.766 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.327 6.784 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 35 26.283 4.750 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 35 27.723 4.689 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 35 26.099 4.541 3.235 1.00 0.00 H new ATOM 510 N VAL A 36 26.947 9.789 6.104 1.00 0.00 N ATOM 511 CA VAL A 36 27.403 10.362 7.366 1.00 0.00 C ATOM 512 C VAL A 36 26.509 9.917 8.522 1.00 0.00 C ATOM 513 O VAL A 36 25.291 10.114 8.490 1.00 0.00 O ATOM 514 CB VAL A 36 27.428 11.908 7.309 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.921 12.494 8.625 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.293 12.391 6.154 1.00 0.00 C ATOM 0 H VAL A 36 25.979 10.009 5.868 1.00 0.00 H new ATOM 0 HA VAL A 36 28.417 9.999 7.533 1.00 0.00 H new ATOM 0 HB VAL A 36 26.408 12.254 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.929 13.582 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.257 12.185 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.930 12.135 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.296 13.481 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.312 12.028 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.891 12.011 5.215 1.00 0.00 H new ATOM 526 N HIS A 37 27.118 9.320 9.540 1.00 0.00 N ATOM 527 CA HIS A 37 26.377 8.854 10.705 1.00 0.00 C ATOM 528 C HIS A 37 26.480 9.875 11.838 1.00 0.00 C ATOM 529 O HIS A 37 27.540 10.047 12.444 1.00 0.00 O ATOM 530 CB HIS A 37 26.905 7.491 11.168 1.00 0.00 C ATOM 531 CG HIS A 37 26.007 6.792 12.148 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.267 6.799 13.497 1.00 0.00 N ATOM 533 CD2 HIS A 37 24.888 6.065 11.919 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.305 6.078 14.054 1.00 0.00 C ATOM 535 NE2 HIS A 37 24.449 5.613 13.136 1.00 0.00 N ATOM 0 H HIS A 37 28.122 9.148 9.582 1.00 0.00 H new ATOM 0 HA HIS A 37 25.329 8.742 10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.044 6.851 10.297 1.00 0.00 H new ATOM 0 HB3 HIS A 37 27.886 7.628 11.623 1.00 0.00 H new ATOM 0 HD2 HIS A 37 24.429 5.877 10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.222 5.889 15.114 1.00 0.00 H new ATOM 0 HE2 HIS A 37 23.628 5.033 13.309 1.00 0.00 H new ATOM 543 N LEU A 38 25.366 10.541 12.120 1.00 0.00 N ATOM 544 CA LEU A 38 25.320 11.590 13.136 1.00 0.00 C ATOM 545 C LEU A 38 25.382 11.001 14.540 1.00 0.00 C ATOM 546 O LEU A 38 25.559 11.721 15.521 1.00 0.00 O ATOM 547 CB LEU A 38 24.043 12.421 12.983 1.00 0.00 C ATOM 548 CG LEU A 38 23.880 13.132 11.638 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.558 13.881 11.589 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.038 14.085 11.397 1.00 0.00 C ATOM 0 H LEU A 38 24.474 10.372 11.655 1.00 0.00 H new ATOM 0 HA LEU A 38 26.190 12.231 12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.184 11.768 13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.019 13.169 13.775 1.00 0.00 H new ATOM 0 HG LEU A 38 23.881 12.380 10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.459 14.381 10.625 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.736 13.177 11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.530 14.623 12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.906 14.582 10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.066 14.831 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.974 13.526 11.391 1.00 0.00 H new ATOM 562 N GLY A 39 25.230 9.688 14.631 1.00 0.00 N ATOM 563 CA GLY A 39 25.296 9.029 15.918 1.00 0.00 C ATOM 564 C GLY A 39 26.725 8.787 16.355 1.00 0.00 C ATOM 565 O GLY A 39 26.996 8.585 17.538 1.00 0.00 O ATOM 0 H GLY A 39 25.062 9.069 13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.786 9.638 16.664 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.766 8.078 15.867 1.00 0.00 H new ATOM 569 N THR A 40 27.640 8.813 15.397 1.00 0.00 N ATOM 570 CA THR A 40 29.049 8.588 15.678 1.00 0.00 C ATOM 571 C THR A 40 29.780 9.917 15.879 1.00 0.00 C ATOM 572 O THR A 40 30.684 10.025 16.708 1.00 0.00 O ATOM 573 CB THR A 40 29.719 7.798 14.536 1.00 0.00 C ATOM 574 OG1 THR A 40 28.996 6.584 14.289 1.00 0.00 O ATOM 575 CG2 THR A 40 31.164 7.462 14.876 1.00 0.00 C ATOM 0 H THR A 40 27.430 8.989 14.414 1.00 0.00 H new ATOM 0 HA THR A 40 29.114 8.004 16.596 1.00 0.00 H new ATOM 0 HB THR A 40 29.707 8.423 13.643 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.101 6.799 13.951 1.00 0.00 H new ATOM 0 HG21 THR A 40 31.611 6.905 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 40 31.724 8.383 15.037 1.00 0.00 H new ATOM 0 HG23 THR A 40 31.193 6.857 15.782 1.00 0.00 H new ATOM 583 N ASP A 41 29.367 10.931 15.133 1.00 0.00 N ATOM 584 CA ASP A 41 30.017 12.231 15.190 1.00 0.00 C ATOM 585 C ASP A 41 29.042 13.290 15.694 1.00 0.00 C ATOM 586 O ASP A 41 28.010 13.538 15.070 1.00 0.00 O ATOM 587 CB ASP A 41 30.542 12.615 13.806 1.00 0.00 C ATOM 588 CG ASP A 41 31.417 13.850 13.833 1.00 0.00 C ATOM 589 OD1 ASP A 41 30.891 14.956 14.050 1.00 0.00 O ATOM 590 OD2 ASP A 41 32.636 13.722 13.610 1.00 0.00 O ATOM 0 H ASP A 41 28.584 10.878 14.481 1.00 0.00 H new ATOM 0 HA ASP A 41 30.856 12.173 15.883 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.111 11.781 13.394 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.699 12.787 13.137 1.00 0.00 H new ATOM 595 N LYS A 42 29.372 13.912 16.821 1.00 0.00 N ATOM 596 CA LYS A 42 28.486 14.891 17.441 1.00 0.00 C ATOM 597 C LYS A 42 28.649 16.272 16.810 1.00 0.00 C ATOM 598 O LYS A 42 27.782 17.135 16.949 1.00 0.00 O ATOM 599 CB LYS A 42 28.747 14.974 18.949 1.00 0.00 C ATOM 600 CG LYS A 42 28.462 13.680 19.697 1.00 0.00 C ATOM 601 CD LYS A 42 28.626 13.862 21.198 1.00 0.00 C ATOM 602 CE LYS A 42 28.316 12.583 21.963 1.00 0.00 C ATOM 603 NZ LYS A 42 29.290 11.500 21.665 1.00 0.00 N ATOM 0 H LYS A 42 30.246 13.756 17.323 1.00 0.00 H new ATOM 0 HA LYS A 42 27.462 14.558 17.272 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.787 15.255 19.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.132 15.769 19.371 1.00 0.00 H new ATOM 0 HG2 LYS A 42 27.448 13.346 19.478 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.137 12.899 19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.647 14.177 21.416 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.966 14.659 21.541 1.00 0.00 H new ATOM 0 HE2 LYS A 42 28.323 12.791 23.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 27.311 12.245 21.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 29.123 10.697 22.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 29.172 11.188 20.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.258 11.856 21.802 1.00 0.00 H new ATOM 617 N ALA A 43 29.749 16.476 16.102 1.00 0.00 N ATOM 618 CA ALA A 43 30.027 17.768 15.494 1.00 0.00 C ATOM 619 C ALA A 43 29.224 17.934 14.211 1.00 0.00 C ATOM 620 O ALA A 43 28.780 19.036 13.876 1.00 0.00 O ATOM 621 CB ALA A 43 31.514 17.920 15.220 1.00 0.00 C ATOM 0 H ALA A 43 30.462 15.766 15.935 1.00 0.00 H new ATOM 0 HA ALA A 43 29.727 18.551 16.191 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.703 18.892 14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 43 32.066 17.844 16.157 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.841 17.132 14.541 1.00 0.00 H new ATOM 627 N ARG A 44 29.028 16.827 13.504 1.00 0.00 N ATOM 628 CA ARG A 44 28.219 16.818 12.290 1.00 0.00 C ATOM 629 C ARG A 44 26.767 17.166 12.597 1.00 0.00 C ATOM 630 O ARG A 44 26.025 17.585 11.713 1.00 0.00 O ATOM 631 CB ARG A 44 28.285 15.455 11.600 1.00 0.00 C ATOM 632 CG ARG A 44 29.651 15.112 11.031 1.00 0.00 C ATOM 633 CD ARG A 44 30.075 16.093 9.949 1.00 0.00 C ATOM 634 NE ARG A 44 31.355 15.713 9.352 1.00 0.00 N ATOM 635 CZ ARG A 44 31.655 15.868 8.061 1.00 0.00 C ATOM 636 NH1 ARG A 44 30.811 16.495 7.246 1.00 0.00 N ATOM 637 NH2 ARG A 44 32.817 15.430 7.592 1.00 0.00 N ATOM 0 H ARG A 44 29.421 15.919 13.752 1.00 0.00 H new ATOM 0 HA ARG A 44 28.627 17.574 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 44 27.997 14.684 12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.552 15.432 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.389 15.114 11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 44 29.630 14.103 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.309 16.135 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.154 17.094 10.374 1.00 0.00 H new ATOM 0 HE ARG A 44 32.063 15.304 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 44 29.930 16.860 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.045 16.611 6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.481 14.975 8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.046 15.549 6.605 1.00 0.00 H new ATOM 651 N ILE A 45 26.367 16.993 13.853 1.00 0.00 N ATOM 652 CA ILE A 45 25.023 17.359 14.280 1.00 0.00 C ATOM 653 C ILE A 45 24.819 18.865 14.134 1.00 0.00 C ATOM 654 O ILE A 45 23.770 19.320 13.678 1.00 0.00 O ATOM 655 CB ILE A 45 24.756 16.933 15.742 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.908 15.414 15.882 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.367 17.378 16.188 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.722 14.909 17.299 1.00 0.00 C ATOM 0 H ILE A 45 26.954 16.603 14.591 1.00 0.00 H new ATOM 0 HA ILE A 45 24.315 16.831 13.641 1.00 0.00 H new ATOM 0 HB ILE A 45 25.489 17.419 16.386 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.182 14.924 15.233 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.898 15.123 15.529 1.00 0.00 H new ATOM 0 HG21 ILE A 45 23.199 17.068 17.220 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.293 18.463 16.118 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.615 16.921 15.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.844 13.826 17.318 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.465 15.370 17.950 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.723 15.168 17.649 1.00 0.00 H new ATOM 670 N ALA A 46 25.842 19.631 14.494 1.00 0.00 N ATOM 671 CA ALA A 46 25.797 21.079 14.349 1.00 0.00 C ATOM 672 C ALA A 46 25.809 21.464 12.873 1.00 0.00 C ATOM 673 O ALA A 46 25.123 22.398 12.459 1.00 0.00 O ATOM 674 CB ALA A 46 26.965 21.723 15.081 1.00 0.00 C ATOM 0 H ALA A 46 26.712 19.273 14.888 1.00 0.00 H new ATOM 0 HA ALA A 46 24.871 21.445 14.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.916 22.805 14.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.914 21.471 16.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.903 21.354 14.665 1.00 0.00 H new ATOM 680 N GLU A 47 26.585 20.727 12.086 1.00 0.00 N ATOM 681 CA GLU A 47 26.647 20.938 10.643 1.00 0.00 C ATOM 682 C GLU A 47 25.278 20.690 10.018 1.00 0.00 C ATOM 683 O GLU A 47 24.780 21.504 9.236 1.00 0.00 O ATOM 684 CB GLU A 47 27.698 20.010 10.018 1.00 0.00 C ATOM 685 CG GLU A 47 27.797 20.119 8.503 1.00 0.00 C ATOM 686 CD GLU A 47 28.869 19.216 7.920 1.00 0.00 C ATOM 687 OE1 GLU A 47 28.644 17.989 7.833 1.00 0.00 O ATOM 688 OE2 GLU A 47 29.948 19.733 7.550 1.00 0.00 O ATOM 0 H GLU A 47 27.183 19.974 12.425 1.00 0.00 H new ATOM 0 HA GLU A 47 26.936 21.971 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.672 20.236 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.462 18.980 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.834 19.865 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.010 21.153 8.230 1.00 0.00 H new ATOM 695 N ALA A 48 24.668 19.570 10.391 1.00 0.00 N ATOM 696 CA ALA A 48 23.350 19.204 9.893 1.00 0.00 C ATOM 697 C ALA A 48 22.301 20.235 10.296 1.00 0.00 C ATOM 698 O ALA A 48 21.429 20.584 9.500 1.00 0.00 O ATOM 699 CB ALA A 48 22.962 17.823 10.399 1.00 0.00 C ATOM 0 H ALA A 48 25.071 18.896 11.042 1.00 0.00 H new ATOM 0 HA ALA A 48 23.394 19.181 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.974 17.561 10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.690 17.090 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.943 17.827 11.489 1.00 0.00 H new ATOM 705 N GLU A 49 22.396 20.725 11.529 1.00 0.00 N ATOM 706 CA GLU A 49 21.465 21.733 12.027 1.00 0.00 C ATOM 707 C GLU A 49 21.554 23.011 11.196 1.00 0.00 C ATOM 708 O GLU A 49 20.533 23.583 10.806 1.00 0.00 O ATOM 709 CB GLU A 49 21.747 22.045 13.500 1.00 0.00 C ATOM 710 CG GLU A 49 20.812 23.091 14.086 1.00 0.00 C ATOM 711 CD GLU A 49 21.096 23.387 15.543 1.00 0.00 C ATOM 712 OE1 GLU A 49 22.202 23.874 15.852 1.00 0.00 O ATOM 713 OE2 GLU A 49 20.208 23.144 16.386 1.00 0.00 O ATOM 0 H GLU A 49 23.108 20.440 12.201 1.00 0.00 H new ATOM 0 HA GLU A 49 20.455 21.331 11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.662 21.127 14.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.776 22.391 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.899 24.012 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.782 22.748 13.984 1.00 0.00 H new ATOM 720 N LYS A 50 22.778 23.445 10.914 1.00 0.00 N ATOM 721 CA LYS A 50 23.001 24.646 10.118 1.00 0.00 C ATOM 722 C LYS A 50 22.504 24.446 8.688 1.00 0.00 C ATOM 723 O LYS A 50 22.030 25.388 8.046 1.00 0.00 O ATOM 724 CB LYS A 50 24.487 25.015 10.114 1.00 0.00 C ATOM 725 CG LYS A 50 25.034 25.349 11.494 1.00 0.00 C ATOM 726 CD LYS A 50 26.524 25.646 11.450 1.00 0.00 C ATOM 727 CE LYS A 50 27.078 25.902 12.843 1.00 0.00 C ATOM 728 NZ LYS A 50 28.535 26.199 12.822 1.00 0.00 N ATOM 0 H LYS A 50 23.632 22.982 11.226 1.00 0.00 H new ATOM 0 HA LYS A 50 22.437 25.463 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.058 24.185 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.639 25.870 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.503 26.211 11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.849 24.515 12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.051 24.807 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.705 26.516 10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.545 26.738 13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.896 25.030 13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.869 26.367 13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.048 25.392 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.708 27.047 12.245 1.00 0.00 H new ATOM 742 N ALA A 51 22.610 23.216 8.197 1.00 0.00 N ATOM 743 CA ALA A 51 22.134 22.877 6.861 1.00 0.00 C ATOM 744 C ALA A 51 20.608 22.835 6.818 1.00 0.00 C ATOM 745 O ALA A 51 19.994 23.198 5.813 1.00 0.00 O ATOM 746 CB ALA A 51 22.717 21.545 6.413 1.00 0.00 C ATOM 0 H ALA A 51 23.023 22.435 8.706 1.00 0.00 H new ATOM 0 HA ALA A 51 22.469 23.654 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.352 21.306 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 51 23.805 21.611 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.412 20.762 7.108 1.00 0.00 H new ATOM 752 N GLY A 52 20.003 22.391 7.912 1.00 0.00 N ATOM 753 CA GLY A 52 18.555 22.349 7.991 1.00 0.00 C ATOM 754 C GLY A 52 18.011 20.939 8.114 1.00 0.00 C ATOM 755 O GLY A 52 16.818 20.708 7.911 1.00 0.00 O ATOM 0 H GLY A 52 20.488 22.059 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.226 22.936 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.134 22.819 7.102 1.00 0.00 H new ATOM 759 N VAL A 53 18.880 19.995 8.455 1.00 0.00 N ATOM 760 CA VAL A 53 18.477 18.603 8.608 1.00 0.00 C ATOM 761 C VAL A 53 17.726 18.413 9.922 1.00 0.00 C ATOM 762 O VAL A 53 18.279 18.619 11.001 1.00 0.00 O ATOM 763 CB VAL A 53 19.695 17.657 8.569 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.258 16.202 8.677 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.505 17.881 7.300 1.00 0.00 C ATOM 0 H VAL A 53 19.870 20.169 8.631 1.00 0.00 H new ATOM 0 HA VAL A 53 17.822 18.355 7.773 1.00 0.00 H new ATOM 0 HB VAL A 53 20.328 17.884 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.135 15.555 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.727 16.050 9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.598 15.957 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.360 17.205 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.879 17.687 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.857 18.912 7.270 1.00 0.00 H new ATOM 775 N LYS A 54 16.462 18.023 9.822 1.00 0.00 N ATOM 776 CA LYS A 54 15.611 17.884 10.994 1.00 0.00 C ATOM 777 C LYS A 54 15.559 16.440 11.473 1.00 0.00 C ATOM 778 O LYS A 54 15.438 16.174 12.669 1.00 0.00 O ATOM 779 CB LYS A 54 14.194 18.366 10.683 1.00 0.00 C ATOM 780 CG LYS A 54 14.129 19.804 10.200 1.00 0.00 C ATOM 781 CD LYS A 54 12.695 20.251 9.959 1.00 0.00 C ATOM 782 CE LYS A 54 11.878 20.245 11.244 1.00 0.00 C ATOM 783 NZ LYS A 54 12.484 21.104 12.296 1.00 0.00 N ATOM 0 H LYS A 54 16.004 17.797 8.939 1.00 0.00 H new ATOM 0 HA LYS A 54 16.040 18.498 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.758 17.717 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.581 18.265 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.595 20.457 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.702 19.905 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.694 21.254 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.227 19.592 9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.867 20.592 11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.794 19.223 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.798 21.249 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.335 20.641 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.744 22.024 11.886 1.00 0.00 H new ATOM 797 N SER A 55 15.631 15.506 10.542 1.00 0.00 N ATOM 798 CA SER A 55 15.517 14.099 10.882 1.00 0.00 C ATOM 799 C SER A 55 16.394 13.244 9.977 1.00 0.00 C ATOM 800 O SER A 55 16.904 13.714 8.962 1.00 0.00 O ATOM 801 CB SER A 55 14.055 13.656 10.780 1.00 0.00 C ATOM 802 OG SER A 55 13.228 14.457 11.609 1.00 0.00 O ATOM 0 H SER A 55 15.767 15.695 9.549 1.00 0.00 H new ATOM 0 HA SER A 55 15.861 13.964 11.907 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.720 13.728 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.966 12.610 11.072 1.00 0.00 H new ATOM 0 HG SER A 55 12.604 13.883 12.101 1.00 0.00 H new ATOM 808 N VAL A 56 16.577 11.994 10.367 1.00 0.00 N ATOM 809 CA VAL A 56 17.360 11.049 9.593 1.00 0.00 C ATOM 810 C VAL A 56 16.579 9.750 9.412 1.00 0.00 C ATOM 811 O VAL A 56 15.747 9.401 10.255 1.00 0.00 O ATOM 812 CB VAL A 56 18.718 10.747 10.267 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.573 12.002 10.344 1.00 0.00 C ATOM 814 CG2 VAL A 56 18.516 10.156 11.654 1.00 0.00 C ATOM 0 H VAL A 56 16.188 11.607 11.227 1.00 0.00 H new ATOM 0 HA VAL A 56 17.557 11.500 8.621 1.00 0.00 H new ATOM 0 HB VAL A 56 19.240 10.012 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.524 11.766 10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.756 12.380 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 56 19.053 12.762 10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.486 9.952 12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.967 10.864 12.275 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.950 9.228 11.575 1.00 0.00 H new ATOM 824 N PRO A 57 16.832 9.010 8.321 1.00 0.00 N ATOM 825 CA PRO A 57 17.835 9.379 7.319 1.00 0.00 C ATOM 826 C PRO A 57 17.359 10.498 6.392 1.00 0.00 C ATOM 827 O PRO A 57 16.167 10.633 6.120 1.00 0.00 O ATOM 828 CB PRO A 57 18.037 8.082 6.538 1.00 0.00 C ATOM 829 CG PRO A 57 16.737 7.365 6.646 1.00 0.00 C ATOM 830 CD PRO A 57 16.144 7.752 7.975 1.00 0.00 C ATOM 0 HA PRO A 57 18.745 9.768 7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.292 8.283 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.851 7.491 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.072 7.643 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.883 6.286 6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.065 7.893 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.316 6.983 8.728 1.00 0.00 H new ATOM 838 N ALA A 58 18.298 11.304 5.922 1.00 0.00 N ATOM 839 CA ALA A 58 17.984 12.406 5.030 1.00 0.00 C ATOM 840 C ALA A 58 18.997 12.484 3.899 1.00 0.00 C ATOM 841 O ALA A 58 20.205 12.422 4.129 1.00 0.00 O ATOM 842 CB ALA A 58 17.947 13.717 5.798 1.00 0.00 C ATOM 0 H ALA A 58 19.289 11.214 6.146 1.00 0.00 H new ATOM 0 HA ALA A 58 16.999 12.228 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.710 14.532 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.185 13.662 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.919 13.898 6.256 1.00 0.00 H new ATOM 848 N LEU A 59 18.498 12.611 2.683 1.00 0.00 N ATOM 849 CA LEU A 59 19.349 12.736 1.513 1.00 0.00 C ATOM 850 C LEU A 59 19.464 14.201 1.112 1.00 0.00 C ATOM 851 O LEU A 59 18.536 14.775 0.545 1.00 0.00 O ATOM 852 CB LEU A 59 18.780 11.908 0.355 1.00 0.00 C ATOM 853 CG LEU A 59 19.609 11.918 -0.932 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.980 11.304 -0.695 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.874 11.178 -2.038 1.00 0.00 C ATOM 0 H LEU A 59 17.499 12.630 2.479 1.00 0.00 H new ATOM 0 HA LEU A 59 20.343 12.358 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.671 10.876 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.780 12.276 0.125 1.00 0.00 H new ATOM 0 HG LEU A 59 19.751 12.953 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.552 11.322 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.508 11.876 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.864 10.273 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.475 11.193 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.702 10.146 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.917 11.664 -2.227 1.00 0.00 H new ATOM 867 N VAL A 60 20.592 14.808 1.437 1.00 0.00 N ATOM 868 CA VAL A 60 20.819 16.209 1.132 1.00 0.00 C ATOM 869 C VAL A 60 21.504 16.356 -0.221 1.00 0.00 C ATOM 870 O VAL A 60 22.716 16.181 -0.337 1.00 0.00 O ATOM 871 CB VAL A 60 21.668 16.894 2.224 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.870 18.370 1.913 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.019 16.721 3.588 1.00 0.00 C ATOM 0 H VAL A 60 21.368 14.350 1.914 1.00 0.00 H new ATOM 0 HA VAL A 60 19.846 16.699 1.098 1.00 0.00 H new ATOM 0 HB VAL A 60 22.647 16.416 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.471 18.828 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.382 18.473 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 60 20.901 18.867 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.630 17.210 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.026 17.170 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.935 15.659 3.819 1.00 0.00 H new ATOM 883 N ILE A 61 20.715 16.662 -1.237 1.00 0.00 N ATOM 884 CA ILE A 61 21.226 16.809 -2.589 1.00 0.00 C ATOM 885 C ILE A 61 21.537 18.270 -2.886 1.00 0.00 C ATOM 886 O ILE A 61 20.625 19.084 -3.051 1.00 0.00 O ATOM 887 CB ILE A 61 20.224 16.282 -3.639 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.866 14.820 -3.351 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.802 16.424 -5.041 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.826 14.251 -4.294 1.00 0.00 C ATOM 0 H ILE A 61 19.710 16.814 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 61 22.139 16.217 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 61 19.313 16.877 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.770 14.215 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.499 14.740 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.084 16.048 -5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.010 17.475 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.726 15.851 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.624 13.213 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.907 14.832 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.198 14.298 -5.317 1.00 0.00 H new ATOM 902 N ASP A 62 22.826 18.596 -2.913 1.00 0.00 N ATOM 903 CA ASP A 62 23.298 19.934 -3.271 1.00 0.00 C ATOM 904 C ASP A 62 22.710 20.999 -2.341 1.00 0.00 C ATOM 905 O ASP A 62 22.542 22.160 -2.718 1.00 0.00 O ATOM 906 CB ASP A 62 22.951 20.232 -4.737 1.00 0.00 C ATOM 907 CG ASP A 62 23.662 21.454 -5.282 1.00 0.00 C ATOM 908 OD1 ASP A 62 24.912 21.483 -5.261 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.974 22.378 -5.769 1.00 0.00 O ATOM 0 H ASP A 62 23.575 17.941 -2.688 1.00 0.00 H new ATOM 0 HA ASP A 62 24.381 19.963 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.209 19.367 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.874 20.376 -4.827 1.00 0.00 H new ATOM 914 N GLY A 63 22.420 20.603 -1.111 1.00 0.00 N ATOM 915 CA GLY A 63 21.873 21.534 -0.143 1.00 0.00 C ATOM 916 C GLY A 63 20.420 21.252 0.183 1.00 0.00 C ATOM 917 O GLY A 63 19.937 21.616 1.255 1.00 0.00 O ATOM 0 H GLY A 63 22.553 19.653 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.462 21.488 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.964 22.549 -0.530 1.00 0.00 H new ATOM 921 N ALA A 64 19.723 20.596 -0.734 1.00 0.00 N ATOM 922 CA ALA A 64 18.316 20.274 -0.536 1.00 0.00 C ATOM 923 C ALA A 64 18.169 18.987 0.268 1.00 0.00 C ATOM 924 O ALA A 64 18.512 17.906 -0.205 1.00 0.00 O ATOM 925 CB ALA A 64 17.607 20.147 -1.878 1.00 0.00 C ATOM 0 H ALA A 64 20.108 20.276 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 64 17.853 21.085 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.557 19.906 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.682 21.090 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.074 19.354 -2.462 1.00 0.00 H new ATOM 931 N ALA A 65 17.672 19.115 1.487 1.00 0.00 N ATOM 932 CA ALA A 65 17.529 17.971 2.376 1.00 0.00 C ATOM 933 C ALA A 65 16.218 17.235 2.127 1.00 0.00 C ATOM 934 O ALA A 65 15.137 17.770 2.375 1.00 0.00 O ATOM 935 CB ALA A 65 17.619 18.417 3.827 1.00 0.00 C ATOM 0 H ALA A 65 17.360 20.001 1.885 1.00 0.00 H new ATOM 0 HA ALA A 65 18.345 17.279 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.510 17.552 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.587 18.887 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.824 19.133 4.038 1.00 0.00 H new ATOM 941 N PHE A 66 16.320 16.021 1.617 1.00 0.00 N ATOM 942 CA PHE A 66 15.155 15.177 1.416 1.00 0.00 C ATOM 943 C PHE A 66 15.130 14.068 2.458 1.00 0.00 C ATOM 944 O PHE A 66 15.851 13.078 2.346 1.00 0.00 O ATOM 945 CB PHE A 66 15.153 14.581 0.006 1.00 0.00 C ATOM 946 CG PHE A 66 15.063 15.614 -1.081 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.858 16.239 -1.358 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.180 15.961 -1.823 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.769 17.189 -2.356 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.096 16.910 -2.824 1.00 0.00 C ATOM 951 CZ PHE A 66 14.888 17.525 -3.088 1.00 0.00 C ATOM 0 H PHE A 66 17.202 15.595 1.333 1.00 0.00 H new ATOM 0 HA PHE A 66 14.260 15.790 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.062 13.996 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.313 13.892 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.979 15.980 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.127 15.485 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.824 17.668 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.973 17.170 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.820 18.269 -3.868 1.00 0.00 H new ATOM 961 N HIS A 67 14.317 14.257 3.485 1.00 0.00 N ATOM 962 CA HIS A 67 14.193 13.282 4.560 1.00 0.00 C ATOM 963 C HIS A 67 13.532 12.012 4.041 1.00 0.00 C ATOM 964 O HIS A 67 12.510 12.077 3.360 1.00 0.00 O ATOM 965 CB HIS A 67 13.374 13.870 5.716 1.00 0.00 C ATOM 966 CG HIS A 67 13.971 15.111 6.318 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.736 16.385 5.850 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.804 15.253 7.378 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.416 17.242 6.622 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.083 16.605 7.566 1.00 0.00 N ATOM 0 H HIS A 67 13.729 15.083 3.598 1.00 0.00 H new ATOM 0 HA HIS A 67 15.189 13.035 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.371 14.099 5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.269 13.115 6.495 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.147 16.632 5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.191 14.445 7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.418 18.314 6.490 1.00 0.00 H new ATOM 978 N ILE A 68 14.120 10.869 4.350 1.00 0.00 N ATOM 979 CA ILE A 68 13.614 9.591 3.872 1.00 0.00 C ATOM 980 C ILE A 68 12.976 8.816 5.020 1.00 0.00 C ATOM 981 O ILE A 68 13.677 8.202 5.829 1.00 0.00 O ATOM 982 CB ILE A 68 14.738 8.741 3.239 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.457 9.537 2.144 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.172 7.448 2.671 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.635 8.811 1.531 1.00 0.00 C ATOM 0 H ILE A 68 14.954 10.799 4.933 1.00 0.00 H new ATOM 0 HA ILE A 68 12.865 9.796 3.107 1.00 0.00 H new ATOM 0 HB ILE A 68 15.460 8.489 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.743 9.780 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.803 10.482 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.977 6.861 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.702 6.875 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.431 7.680 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.091 9.439 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.370 8.592 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.294 7.879 1.080 1.00 0.00 H new ATOM 997 N ASN A 69 11.647 8.866 5.084 1.00 0.00 N ATOM 998 CA ASN A 69 10.890 8.263 6.185 1.00 0.00 C ATOM 999 C ASN A 69 11.263 8.934 7.506 1.00 0.00 C ATOM 1000 O ASN A 69 11.844 10.019 7.512 1.00 0.00 O ATOM 1001 CB ASN A 69 11.127 6.745 6.257 1.00 0.00 C ATOM 1002 CG ASN A 69 10.422 5.987 5.148 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.358 6.390 4.681 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.005 4.879 4.720 1.00 0.00 N ATOM 0 H ASN A 69 11.066 9.322 4.381 1.00 0.00 H new ATOM 0 HA ASN A 69 9.828 8.421 5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.197 6.546 6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.782 6.373 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.572 4.328 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.888 4.576 5.131 1.00 0.00 H new ATOM 1011 N PHE A 70 10.910 8.315 8.620 1.00 0.00 N ATOM 1012 CA PHE A 70 11.250 8.871 9.918 1.00 0.00 C ATOM 1013 C PHE A 70 11.948 7.827 10.780 1.00 0.00 C ATOM 1014 O PHE A 70 11.339 6.839 11.192 1.00 0.00 O ATOM 1015 CB PHE A 70 9.995 9.392 10.627 1.00 0.00 C ATOM 1016 CG PHE A 70 10.292 10.216 11.849 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.506 11.580 11.742 1.00 0.00 C ATOM 1018 CD2 PHE A 70 10.357 9.628 13.104 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.779 12.344 12.861 1.00 0.00 C ATOM 1020 CE2 PHE A 70 10.629 10.386 14.226 1.00 0.00 C ATOM 1021 CZ PHE A 70 10.841 11.746 14.104 1.00 0.00 C ATOM 0 H PHE A 70 10.393 7.436 8.652 1.00 0.00 H new ATOM 0 HA PHE A 70 11.932 9.707 9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.415 9.993 9.926 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.371 8.545 10.913 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.459 12.053 10.772 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.193 8.565 13.205 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.944 13.407 12.763 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.676 9.916 15.197 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.055 12.341 14.980 1.00 0.00 H new ATOM 1031 N GLY A 71 13.233 8.039 11.022 1.00 0.00 N ATOM 1032 CA GLY A 71 13.977 7.161 11.898 1.00 0.00 C ATOM 1033 C GLY A 71 14.295 7.833 13.214 1.00 0.00 C ATOM 1034 O GLY A 71 13.837 7.397 14.269 1.00 0.00 O ATOM 0 H GLY A 71 13.775 8.807 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.401 6.254 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.903 6.857 11.410 1.00 0.00 H new ATOM 1038 N ALA A 72 15.091 8.889 13.153 1.00 0.00 N ATOM 1039 CA ALA A 72 15.434 9.668 14.334 1.00 0.00 C ATOM 1040 C ALA A 72 15.426 11.150 14.000 1.00 0.00 C ATOM 1041 O ALA A 72 15.674 11.525 12.856 1.00 0.00 O ATOM 1042 CB ALA A 72 16.793 9.247 14.873 1.00 0.00 C ATOM 0 H ALA A 72 15.515 9.229 12.290 1.00 0.00 H new ATOM 0 HA ALA A 72 14.689 9.481 15.107 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.034 9.839 15.756 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.767 8.191 15.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 17.553 9.409 14.109 1.00 0.00 H new ATOM 1048 N GLY A 73 15.135 11.988 14.979 1.00 0.00 N ATOM 1049 CA GLY A 73 15.159 13.418 14.754 1.00 0.00 C ATOM 1050 C GLY A 73 16.338 14.073 15.440 1.00 0.00 C ATOM 1051 O GLY A 73 16.832 13.568 16.451 1.00 0.00 O ATOM 0 H GLY A 73 14.882 11.706 15.926 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.204 13.617 13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.233 13.860 15.121 1.00 0.00 H new ATOM 1055 N ILE A 74 16.794 15.198 14.899 1.00 0.00 N ATOM 1056 CA ILE A 74 17.910 15.927 15.489 1.00 0.00 C ATOM 1057 C ILE A 74 17.494 16.514 16.834 1.00 0.00 C ATOM 1058 O ILE A 74 18.321 16.744 17.718 1.00 0.00 O ATOM 1059 CB ILE A 74 18.419 17.053 14.549 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.709 17.668 15.098 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.353 18.125 14.362 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.305 18.732 14.200 1.00 0.00 C ATOM 0 H ILE A 74 16.409 15.623 14.056 1.00 0.00 H new ATOM 0 HA ILE A 74 18.729 15.224 15.637 1.00 0.00 H new ATOM 0 HB ILE A 74 18.633 16.613 13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.506 18.103 16.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.444 16.877 15.247 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.732 18.903 13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.461 17.678 13.923 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.102 18.561 15.329 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.216 19.122 14.653 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.540 18.298 13.228 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.588 19.543 14.071 1.00 0.00 H new ATOM 1074 N ASP A 75 16.190 16.718 16.985 1.00 0.00 N ATOM 1075 CA ASP A 75 15.616 17.224 18.225 1.00 0.00 C ATOM 1076 C ASP A 75 15.742 16.184 19.331 1.00 0.00 C ATOM 1077 O ASP A 75 15.752 16.517 20.516 1.00 0.00 O ATOM 1078 CB ASP A 75 14.141 17.583 18.015 1.00 0.00 C ATOM 1079 CG ASP A 75 13.936 18.604 16.914 1.00 0.00 C ATOM 1080 OD1 ASP A 75 13.961 18.220 15.726 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.747 19.797 17.228 1.00 0.00 O ATOM 0 H ASP A 75 15.503 16.538 16.253 1.00 0.00 H new ATOM 0 HA ASP A 75 16.163 18.120 18.520 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.582 16.679 17.774 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.730 17.973 18.947 1.00 0.00 H new ATOM 1086 N ASP A 76 15.841 14.920 18.931 1.00 0.00 N ATOM 1087 CA ASP A 76 15.986 13.818 19.876 1.00 0.00 C ATOM 1088 C ASP A 76 17.447 13.628 20.246 1.00 0.00 C ATOM 1089 O ASP A 76 17.774 13.239 21.365 1.00 0.00 O ATOM 1090 CB ASP A 76 15.457 12.512 19.277 1.00 0.00 C ATOM 1091 CG ASP A 76 14.001 12.584 18.876 1.00 0.00 C ATOM 1092 OD1 ASP A 76 13.127 12.450 19.757 1.00 0.00 O ATOM 1093 OD2 ASP A 76 13.720 12.757 17.673 1.00 0.00 O ATOM 0 H ASP A 76 15.823 14.632 17.953 1.00 0.00 H new ATOM 0 HA ASP A 76 15.408 14.067 20.766 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.055 12.253 18.403 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.588 11.709 20.002 1.00 0.00 H new ATOM 1098 N LEU A 77 18.324 13.907 19.289 1.00 0.00 N ATOM 1099 CA LEU A 77 19.759 13.690 19.456 1.00 0.00 C ATOM 1100 C LEU A 77 20.359 14.655 20.474 1.00 0.00 C ATOM 1101 O LEU A 77 21.431 14.401 21.023 1.00 0.00 O ATOM 1102 CB LEU A 77 20.477 13.847 18.113 1.00 0.00 C ATOM 1103 CG LEU A 77 20.036 12.873 17.016 1.00 0.00 C ATOM 1104 CD1 LEU A 77 20.773 13.167 15.719 1.00 0.00 C ATOM 1105 CD2 LEU A 77 20.278 11.434 17.450 1.00 0.00 C ATOM 0 H LEU A 77 18.064 14.288 18.379 1.00 0.00 H new ATOM 0 HA LEU A 77 19.897 12.675 19.829 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.324 14.865 17.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 21.548 13.724 18.276 1.00 0.00 H new ATOM 0 HG LEU A 77 18.968 13.006 16.846 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.449 12.467 14.949 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.553 14.185 15.399 1.00 0.00 H new ATOM 0 HD13 LEU A 77 21.846 13.060 15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.959 10.757 16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 21.340 11.287 17.647 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.709 11.227 18.356 1.00 0.00 H new ATOM 1117 N LYS A 78 19.667 15.759 20.724 1.00 0.00 N ATOM 1118 CA LYS A 78 20.158 16.770 21.648 1.00 0.00 C ATOM 1119 C LYS A 78 19.973 16.335 23.099 1.00 0.00 C ATOM 1120 O LYS A 78 18.994 16.701 23.750 1.00 0.00 O ATOM 1121 CB LYS A 78 19.462 18.111 21.409 1.00 0.00 C ATOM 1122 CG LYS A 78 19.724 18.699 20.035 1.00 0.00 C ATOM 1123 CD LYS A 78 19.128 20.087 19.902 1.00 0.00 C ATOM 1124 CE LYS A 78 19.438 20.692 18.546 1.00 0.00 C ATOM 1125 NZ LYS A 78 18.999 22.107 18.457 1.00 0.00 N ATOM 0 H LYS A 78 18.765 15.976 20.300 1.00 0.00 H new ATOM 0 HA LYS A 78 21.225 16.891 21.462 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.388 17.981 21.540 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.792 18.821 22.167 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.798 18.744 19.856 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.301 18.046 19.272 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.048 20.036 20.042 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.521 20.731 20.689 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.510 20.632 18.358 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.945 20.110 17.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.214 22.478 17.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.975 22.164 18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.501 22.672 19.172 1.00 0.00 H new ATOM 1177 N ALA B 2 14.830 -2.963 -15.945 1.00 0.00 N ATOM 1178 CA ALA B 2 14.824 -1.838 -15.025 1.00 0.00 C ATOM 1179 C ALA B 2 13.597 -1.885 -14.126 1.00 0.00 C ATOM 1180 O ALA B 2 12.463 -1.916 -14.608 1.00 0.00 O ATOM 1181 CB ALA B 2 14.876 -0.522 -15.789 1.00 0.00 C ATOM 0 HA ALA B 2 15.712 -1.907 -14.396 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.871 0.309 -15.083 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.786 -0.484 -16.387 1.00 0.00 H new ATOM 0 HB3 ALA B 2 14.008 -0.447 -16.444 1.00 0.00 H new ATOM 1187 N SER B 3 13.831 -1.915 -12.823 1.00 0.00 N ATOM 1188 CA SER B 3 12.753 -1.890 -11.847 1.00 0.00 C ATOM 1189 C SER B 3 12.112 -0.506 -11.825 1.00 0.00 C ATOM 1190 O SER B 3 12.740 0.474 -12.237 1.00 0.00 O ATOM 1191 CB SER B 3 13.305 -2.251 -10.470 1.00 0.00 C ATOM 1192 OG SER B 3 13.974 -3.505 -10.506 1.00 0.00 O ATOM 0 H SER B 3 14.765 -1.957 -12.415 1.00 0.00 H new ATOM 0 HA SER B 3 11.991 -2.620 -12.121 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.994 -1.476 -10.135 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.491 -2.289 -9.746 1.00 0.00 H new ATOM 0 HG SER B 3 14.321 -3.716 -9.614 1.00 0.00 H new ATOM 1198 N LYS B 4 10.874 -0.407 -11.360 1.00 0.00 N ATOM 1199 CA LYS B 4 10.187 0.870 -11.391 1.00 0.00 C ATOM 1200 C LYS B 4 10.057 1.475 -9.997 1.00 0.00 C ATOM 1201 O LYS B 4 9.979 0.763 -8.990 1.00 0.00 O ATOM 1202 CB LYS B 4 8.808 0.748 -12.054 1.00 0.00 C ATOM 1203 CG LYS B 4 7.688 0.270 -11.141 1.00 0.00 C ATOM 1204 CD LYS B 4 6.342 0.453 -11.822 1.00 0.00 C ATOM 1205 CE LYS B 4 5.182 0.212 -10.872 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.874 0.523 -11.512 1.00 0.00 N ATOM 0 H LYS B 4 10.337 -1.179 -10.965 1.00 0.00 H new ATOM 0 HA LYS B 4 10.797 1.544 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.532 1.720 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.887 0.060 -12.896 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.837 -0.780 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.709 0.828 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.275 1.463 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.267 -0.233 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.189 -0.828 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.307 0.827 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.121 0.495 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.912 1.472 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.674 -0.180 -12.252 1.00 0.00 H new ATOM 1220 N ALA B 5 10.045 2.797 -9.957 1.00 0.00 N ATOM 1221 CA ALA B 5 9.884 3.539 -8.723 1.00 0.00 C ATOM 1222 C ALA B 5 8.681 4.461 -8.839 1.00 0.00 C ATOM 1223 O ALA B 5 8.650 5.356 -9.685 1.00 0.00 O ATOM 1224 CB ALA B 5 11.143 4.332 -8.410 1.00 0.00 C ATOM 0 H ALA B 5 10.147 3.386 -10.784 1.00 0.00 H new ATOM 0 HA ALA B 5 9.716 2.840 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.004 4.883 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.986 3.649 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.343 5.033 -9.221 1.00 0.00 H new ATOM 1230 N ILE B 6 7.689 4.231 -7.999 1.00 0.00 N ATOM 1231 CA ILE B 6 6.446 4.981 -8.060 1.00 0.00 C ATOM 1232 C ILE B 6 6.418 6.092 -7.016 1.00 0.00 C ATOM 1233 O ILE B 6 6.507 5.840 -5.816 1.00 0.00 O ATOM 1234 CB ILE B 6 5.221 4.058 -7.888 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.494 2.988 -6.821 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.859 3.416 -9.219 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.365 1.994 -6.639 1.00 0.00 C ATOM 0 H ILE B 6 7.720 3.527 -7.262 1.00 0.00 H new ATOM 0 HA ILE B 6 6.395 5.436 -9.049 1.00 0.00 H new ATOM 0 HB ILE B 6 4.375 4.658 -7.552 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.401 2.446 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.687 3.481 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.994 2.767 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.622 4.193 -9.945 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.702 2.827 -9.580 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.636 1.272 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE B 6 3.460 2.522 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE B 6 4.185 1.471 -7.578 1.00 0.00 H new ATOM 1249 N PHE B 7 6.308 7.321 -7.489 1.00 0.00 N ATOM 1250 CA PHE B 7 6.300 8.486 -6.618 1.00 0.00 C ATOM 1251 C PHE B 7 4.869 8.974 -6.420 1.00 0.00 C ATOM 1252 O PHE B 7 4.191 9.337 -7.380 1.00 0.00 O ATOM 1253 CB PHE B 7 7.175 9.592 -7.218 1.00 0.00 C ATOM 1254 CG PHE B 7 7.307 10.814 -6.351 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.115 10.797 -5.227 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.633 11.980 -6.669 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.245 11.920 -4.433 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.759 13.107 -5.879 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.565 13.076 -4.760 1.00 0.00 C ATOM 0 H PHE B 7 6.222 7.540 -8.481 1.00 0.00 H new ATOM 0 HA PHE B 7 6.709 8.214 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.169 9.188 -7.411 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.758 9.887 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.650 9.895 -4.968 1.00 0.00 H new ATOM 0 HD2 PHE B 7 6.001 12.010 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.878 11.894 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE B 7 6.227 14.011 -6.137 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.664 13.955 -4.140 1.00 0.00 H new ATOM 1269 N TYR B 8 4.420 8.975 -5.176 1.00 0.00 N ATOM 1270 CA TYR B 8 3.047 9.333 -4.855 1.00 0.00 C ATOM 1271 C TYR B 8 2.966 10.727 -4.255 1.00 0.00 C ATOM 1272 O TYR B 8 3.689 11.053 -3.308 1.00 0.00 O ATOM 1273 CB TYR B 8 2.442 8.324 -3.873 1.00 0.00 C ATOM 1274 CG TYR B 8 2.129 6.978 -4.483 1.00 0.00 C ATOM 1275 CD1 TYR B 8 3.111 6.009 -4.631 1.00 0.00 C ATOM 1276 CD2 TYR B 8 0.843 6.677 -4.908 1.00 0.00 C ATOM 1277 CE1 TYR B 8 2.819 4.778 -5.184 1.00 0.00 C ATOM 1278 CE2 TYR B 8 0.542 5.448 -5.461 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.533 4.504 -5.599 1.00 0.00 C ATOM 1280 OH TYR B 8 1.238 3.280 -6.151 1.00 0.00 O ATOM 0 H TYR B 8 4.990 8.730 -4.366 1.00 0.00 H new ATOM 0 HA TYR B 8 2.481 9.318 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.134 8.182 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.526 8.743 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR B 8 4.120 6.221 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR B 8 0.063 7.417 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR B 8 3.594 4.033 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -0.465 5.229 -5.783 1.00 0.00 H new ATOM 0 HH TYR B 8 0.288 3.249 -6.389 1.00 0.00 H new ATOM 1290 N HIS B 9 2.090 11.549 -4.815 1.00 0.00 N ATOM 1291 CA HIS B 9 1.807 12.863 -4.261 1.00 0.00 C ATOM 1292 C HIS B 9 0.446 13.345 -4.748 1.00 0.00 C ATOM 1293 O HIS B 9 -0.115 12.781 -5.680 1.00 0.00 O ATOM 1294 CB HIS B 9 2.907 13.871 -4.620 1.00 0.00 C ATOM 1295 CG HIS B 9 2.985 14.249 -6.070 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.398 15.399 -6.537 1.00 0.00 N ATOM 1297 CD2 HIS B 9 3.634 13.639 -7.089 1.00 0.00 C ATOM 1298 CE1 HIS B 9 2.711 15.467 -7.820 1.00 0.00 C ATOM 1299 NE2 HIS B 9 3.458 14.423 -8.202 1.00 0.00 N ATOM 0 H HIS B 9 1.561 11.326 -5.658 1.00 0.00 H new ATOM 0 HA HIS B 9 1.786 12.782 -3.174 1.00 0.00 H new ATOM 0 HB2 HIS B 9 2.752 14.777 -4.034 1.00 0.00 H new ATOM 0 HB3 HIS B 9 3.869 13.457 -4.318 1.00 0.00 H new ATOM 0 HD2 HIS B 9 4.185 12.712 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS B 9 2.402 16.266 -8.478 1.00 0.00 H new ATOM 0 HE2 HIS B 9 3.824 14.245 -9.137 1.00 0.00 H new ATOM 1307 N ALA B 10 -0.083 14.381 -4.115 1.00 0.00 N ATOM 1308 CA ALA B 10 -1.419 14.865 -4.441 1.00 0.00 C ATOM 1309 C ALA B 10 -1.392 16.332 -4.850 1.00 0.00 C ATOM 1310 O ALA B 10 -2.407 17.023 -4.776 1.00 0.00 O ATOM 1311 CB ALA B 10 -2.347 14.663 -3.253 1.00 0.00 C ATOM 0 H ALA B 10 0.389 14.902 -3.376 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.792 14.291 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.343 15.027 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -2.399 13.602 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -1.964 15.215 -2.395 1.00 0.00 H new ATOM 1317 N GLY B 11 -0.238 16.796 -5.308 1.00 0.00 N ATOM 1318 CA GLY B 11 -0.098 18.195 -5.660 1.00 0.00 C ATOM 1319 C GLY B 11 0.248 19.043 -4.454 1.00 0.00 C ATOM 1320 O GLY B 11 -0.595 19.773 -3.930 1.00 0.00 O ATOM 0 H GLY B 11 0.601 16.232 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY B 11 0.679 18.304 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -1.027 18.554 -6.103 1.00 0.00 H new ATOM 1324 N CYS B 12 1.488 18.930 -4.008 1.00 0.00 N ATOM 1325 CA CYS B 12 1.951 19.643 -2.831 1.00 0.00 C ATOM 1326 C CYS B 12 3.216 20.428 -3.160 1.00 0.00 C ATOM 1327 O CYS B 12 4.009 20.003 -3.997 1.00 0.00 O ATOM 1328 CB CYS B 12 2.234 18.649 -1.700 1.00 0.00 C ATOM 1329 SG CYS B 12 0.840 17.572 -1.294 1.00 0.00 S ATOM 0 H CYS B 12 2.198 18.345 -4.449 1.00 0.00 H new ATOM 0 HA CYS B 12 1.176 20.339 -2.510 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.087 18.031 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.522 19.204 -0.807 1.00 0.00 H new ATOM 0 HG CYS B 12 1.179 16.768 -0.330 1.00 0.00 H new ATOM 1335 N PRO B 13 3.432 21.578 -2.505 1.00 0.00 N ATOM 1336 CA PRO B 13 4.638 22.390 -2.719 1.00 0.00 C ATOM 1337 C PRO B 13 5.911 21.645 -2.319 1.00 0.00 C ATOM 1338 O PRO B 13 7.011 21.999 -2.737 1.00 0.00 O ATOM 1339 CB PRO B 13 4.421 23.608 -1.813 1.00 0.00 C ATOM 1340 CG PRO B 13 3.400 23.179 -0.815 1.00 0.00 C ATOM 1341 CD PRO B 13 2.519 22.190 -1.523 1.00 0.00 C ATOM 0 HA PRO B 13 4.774 22.649 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO B 13 5.349 23.905 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.074 24.468 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO B 13 3.873 22.726 0.057 1.00 0.00 H new ATOM 0 HG3 PRO B 13 2.822 24.031 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.110 21.449 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO B 13 1.673 22.677 -2.007 1.00 0.00 H new ATOM 1349 N VAL B 14 5.742 20.600 -1.517 1.00 0.00 N ATOM 1350 CA VAL B 14 6.861 19.799 -1.040 1.00 0.00 C ATOM 1351 C VAL B 14 7.329 18.810 -2.107 1.00 0.00 C ATOM 1352 O VAL B 14 8.528 18.654 -2.346 1.00 0.00 O ATOM 1353 CB VAL B 14 6.475 19.019 0.237 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.644 18.193 0.750 1.00 0.00 C ATOM 1355 CG2 VAL B 14 5.977 19.971 1.314 1.00 0.00 C ATOM 0 H VAL B 14 4.831 20.286 -1.181 1.00 0.00 H new ATOM 0 HA VAL B 14 7.675 20.487 -0.812 1.00 0.00 H new ATOM 0 HB VAL B 14 5.668 18.333 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.343 17.655 1.649 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.948 17.479 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.480 18.852 0.984 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.710 19.404 2.206 1.00 0.00 H new ATOM 0 HG22 VAL B 14 6.763 20.685 1.560 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.101 20.507 0.949 1.00 0.00 H new ATOM 1365 N CYS B 15 6.378 18.160 -2.769 1.00 0.00 N ATOM 1366 CA CYS B 15 6.706 17.092 -3.704 1.00 0.00 C ATOM 1367 C CYS B 15 7.234 17.640 -5.021 1.00 0.00 C ATOM 1368 O CYS B 15 7.898 16.924 -5.765 1.00 0.00 O ATOM 1369 CB CYS B 15 5.490 16.201 -3.951 1.00 0.00 C ATOM 1370 SG CYS B 15 4.013 17.089 -4.482 1.00 0.00 S ATOM 0 H CYS B 15 5.381 18.353 -2.676 1.00 0.00 H new ATOM 0 HA CYS B 15 7.497 16.494 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS B 15 5.746 15.460 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.262 15.656 -3.035 1.00 0.00 H new ATOM 0 HG CYS B 15 3.568 16.569 -5.587 1.00 0.00 H new ATOM 1376 N VAL B 16 6.943 18.908 -5.307 1.00 0.00 N ATOM 1377 CA VAL B 16 7.447 19.550 -6.517 1.00 0.00 C ATOM 1378 C VAL B 16 8.972 19.471 -6.565 1.00 0.00 C ATOM 1379 O VAL B 16 9.556 19.061 -7.571 1.00 0.00 O ATOM 1380 CB VAL B 16 7.006 21.029 -6.606 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.575 21.693 -7.853 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.489 21.135 -6.592 1.00 0.00 C ATOM 0 H VAL B 16 6.364 19.508 -4.720 1.00 0.00 H new ATOM 0 HA VAL B 16 7.024 19.015 -7.368 1.00 0.00 H new ATOM 0 HB VAL B 16 7.399 21.552 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.250 22.733 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.664 21.654 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.219 21.168 -8.739 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.197 22.183 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.078 20.592 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.103 20.706 -5.667 1.00 0.00 H new ATOM 1392 N SER B 17 9.607 19.835 -5.458 1.00 0.00 N ATOM 1393 CA SER B 17 11.056 19.795 -5.357 1.00 0.00 C ATOM 1394 C SER B 17 11.566 18.359 -5.482 1.00 0.00 C ATOM 1395 O SER B 17 12.553 18.098 -6.164 1.00 0.00 O ATOM 1396 CB SER B 17 11.494 20.398 -4.023 1.00 0.00 C ATOM 1397 OG SER B 17 10.869 21.653 -3.811 1.00 0.00 O ATOM 0 H SER B 17 9.136 20.163 -4.615 1.00 0.00 H new ATOM 0 HA SER B 17 11.482 20.379 -6.173 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.240 19.718 -3.210 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.577 20.519 -4.011 1.00 0.00 H new ATOM 0 HG SER B 17 11.160 22.022 -2.951 1.00 0.00 H new ATOM 1403 N ALA B 18 10.868 17.429 -4.843 1.00 0.00 N ATOM 1404 CA ALA B 18 11.261 16.025 -4.869 1.00 0.00 C ATOM 1405 C ALA B 18 11.131 15.444 -6.274 1.00 0.00 C ATOM 1406 O ALA B 18 11.983 14.675 -6.720 1.00 0.00 O ATOM 1407 CB ALA B 18 10.424 15.226 -3.883 1.00 0.00 C ATOM 0 H ALA B 18 10.026 17.621 -4.300 1.00 0.00 H new ATOM 0 HA ALA B 18 12.308 15.960 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.727 14.180 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.573 15.619 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.371 15.306 -4.151 1.00 0.00 H new ATOM 1413 N GLU B 19 10.075 15.835 -6.972 1.00 0.00 N ATOM 1414 CA GLU B 19 9.806 15.336 -8.315 1.00 0.00 C ATOM 1415 C GLU B 19 10.858 15.838 -9.306 1.00 0.00 C ATOM 1416 O GLU B 19 11.170 15.166 -10.289 1.00 0.00 O ATOM 1417 CB GLU B 19 8.406 15.774 -8.760 1.00 0.00 C ATOM 1418 CG GLU B 19 7.923 15.109 -10.040 1.00 0.00 C ATOM 1419 CD GLU B 19 6.590 15.655 -10.507 1.00 0.00 C ATOM 1420 OE1 GLU B 19 6.587 16.654 -11.257 1.00 0.00 O ATOM 1421 OE2 GLU B 19 5.537 15.097 -10.128 1.00 0.00 O ATOM 0 H GLU B 19 9.384 16.502 -6.628 1.00 0.00 H new ATOM 0 HA GLU B 19 9.853 14.247 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.698 15.556 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.403 16.855 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU B 19 8.666 15.253 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.836 14.035 -9.877 1.00 0.00 H new ATOM 1428 N GLN B 20 11.412 17.015 -9.043 1.00 0.00 N ATOM 1429 CA GLN B 20 12.399 17.601 -9.944 1.00 0.00 C ATOM 1430 C GLN B 20 13.831 17.262 -9.528 1.00 0.00 C ATOM 1431 O GLN B 20 14.741 17.282 -10.354 1.00 0.00 O ATOM 1432 CB GLN B 20 12.222 19.119 -10.015 1.00 0.00 C ATOM 1433 CG GLN B 20 10.883 19.542 -10.598 1.00 0.00 C ATOM 1434 CD GLN B 20 10.739 21.048 -10.701 1.00 0.00 C ATOM 1435 OE1 GLN B 20 11.308 21.796 -9.906 1.00 0.00 O ATOM 1436 NE2 GLN B 20 9.977 21.503 -11.682 1.00 0.00 N ATOM 0 H GLN B 20 11.198 17.579 -8.221 1.00 0.00 H new ATOM 0 HA GLN B 20 12.230 17.169 -10.931 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.322 19.537 -9.013 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.024 19.543 -10.619 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.767 19.102 -11.588 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.080 19.146 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.523 20.850 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.844 22.507 -11.800 1.00 0.00 H new ATOM 1445 N ALA B 21 14.035 16.955 -8.252 1.00 0.00 N ATOM 1446 CA ALA B 21 15.373 16.651 -7.755 1.00 0.00 C ATOM 1447 C ALA B 21 15.590 15.150 -7.585 1.00 0.00 C ATOM 1448 O ALA B 21 16.460 14.566 -8.230 1.00 0.00 O ATOM 1449 CB ALA B 21 15.630 17.375 -6.445 1.00 0.00 C ATOM 0 H ALA B 21 13.299 16.910 -7.548 1.00 0.00 H new ATOM 0 HA ALA B 21 16.086 17.002 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.632 17.137 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.546 18.450 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA B 21 14.896 17.058 -5.704 1.00 0.00 H new ATOM 1455 N VAL B 22 14.790 14.522 -6.728 1.00 0.00 N ATOM 1456 CA VAL B 22 14.954 13.100 -6.430 1.00 0.00 C ATOM 1457 C VAL B 22 14.676 12.253 -7.669 1.00 0.00 C ATOM 1458 O VAL B 22 15.389 11.290 -7.949 1.00 0.00 O ATOM 1459 CB VAL B 22 14.030 12.644 -5.279 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.269 11.180 -4.936 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.235 13.516 -4.051 1.00 0.00 C ATOM 0 H VAL B 22 14.023 14.973 -6.228 1.00 0.00 H new ATOM 0 HA VAL B 22 15.988 12.958 -6.117 1.00 0.00 H new ATOM 0 HB VAL B 22 12.998 12.751 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.606 10.884 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.067 10.563 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.305 11.043 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.575 13.179 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.271 13.443 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.005 14.552 -4.298 1.00 0.00 H new ATOM 1471 N ALA B 23 13.659 12.644 -8.431 1.00 0.00 N ATOM 1472 CA ALA B 23 13.306 11.931 -9.653 1.00 0.00 C ATOM 1473 C ALA B 23 14.214 12.346 -10.813 1.00 0.00 C ATOM 1474 O ALA B 23 13.950 12.025 -11.970 1.00 0.00 O ATOM 1475 CB ALA B 23 11.843 12.160 -9.999 1.00 0.00 C ATOM 0 H ALA B 23 13.067 13.448 -8.224 1.00 0.00 H new ATOM 0 HA ALA B 23 13.454 10.865 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.597 11.621 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.216 11.798 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.667 13.225 -10.147 1.00 0.00 H new ATOM 1481 N ASN B 24 15.260 13.098 -10.494 1.00 0.00 N ATOM 1482 CA ASN B 24 16.333 13.376 -11.445 1.00 0.00 C ATOM 1483 C ASN B 24 17.613 12.700 -10.977 1.00 0.00 C ATOM 1484 O ASN B 24 18.531 12.465 -11.762 1.00 0.00 O ATOM 1485 CB ASN B 24 16.555 14.882 -11.620 1.00 0.00 C ATOM 1486 CG ASN B 24 15.815 15.451 -12.821 1.00 0.00 C ATOM 1487 OD1 ASN B 24 14.706 14.825 -13.194 1.00 0.00 O flip ATOM 1488 ND2 ASN B 24 16.244 16.441 -13.415 1.00 0.00 N flip ATOM 0 H ASN B 24 15.390 13.529 -9.579 1.00 0.00 H new ATOM 0 HA ASN B 24 16.044 12.976 -12.417 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.228 15.400 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.622 15.077 -11.730 1.00 0.00 H new ATOM 0 HD21 ASN B 24 17.101 16.895 -13.098 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.743 16.807 -14.224 1.00 0.00 H new ATOM 1495 N ALA B 25 17.669 12.402 -9.682 1.00 0.00 N ATOM 1496 CA ALA B 25 18.749 11.599 -9.127 1.00 0.00 C ATOM 1497 C ALA B 25 18.606 10.168 -9.614 1.00 0.00 C ATOM 1498 O ALA B 25 19.574 9.538 -10.040 1.00 0.00 O ATOM 1499 CB ALA B 25 18.731 11.659 -7.605 1.00 0.00 C ATOM 0 H ALA B 25 16.976 12.706 -8.998 1.00 0.00 H new ATOM 0 HA ALA B 25 19.707 11.996 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.545 11.053 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.855 12.692 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.780 11.275 -7.237 1.00 0.00 H new ATOM 1505 N ILE B 26 17.381 9.671 -9.549 1.00 0.00 N ATOM 1506 CA ILE B 26 17.035 8.401 -10.155 1.00 0.00 C ATOM 1507 C ILE B 26 16.321 8.674 -11.470 1.00 0.00 C ATOM 1508 O ILE B 26 15.129 8.980 -11.488 1.00 0.00 O ATOM 1509 CB ILE B 26 16.128 7.552 -9.237 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.783 7.365 -7.865 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.839 6.202 -9.879 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.909 6.635 -6.867 1.00 0.00 C ATOM 0 H ILE B 26 16.605 10.135 -9.077 1.00 0.00 H new ATOM 0 HA ILE B 26 17.951 7.834 -10.321 1.00 0.00 H new ATOM 0 HB ILE B 26 15.183 8.078 -9.099 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.715 6.814 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE B 26 17.043 8.343 -7.460 1.00 0.00 H new ATOM 0 HG21 ILE B 26 15.199 5.615 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.335 6.353 -10.834 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.776 5.669 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE B 26 16.440 6.540 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.987 7.196 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE B 26 15.670 5.643 -7.250 1.00 0.00 H new ATOM 1524 N ASP B 27 17.063 8.613 -12.562 1.00 0.00 N ATOM 1525 CA ASP B 27 16.518 8.944 -13.867 1.00 0.00 C ATOM 1526 C ASP B 27 15.705 7.782 -14.429 1.00 0.00 C ATOM 1527 O ASP B 27 16.036 6.617 -14.208 1.00 0.00 O ATOM 1528 CB ASP B 27 17.637 9.346 -14.837 1.00 0.00 C ATOM 1529 CG ASP B 27 18.678 8.263 -15.041 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.507 8.051 -14.134 1.00 0.00 O ATOM 1531 OD2 ASP B 27 18.686 7.640 -16.122 1.00 0.00 O ATOM 0 H ASP B 27 18.045 8.337 -12.571 1.00 0.00 H new ATOM 0 HA ASP B 27 15.849 9.796 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP B 27 17.197 9.602 -15.801 1.00 0.00 H new ATOM 0 HB3 ASP B 27 18.127 10.244 -14.462 1.00 0.00 H new ATOM 1536 N PRO B 28 14.618 8.098 -15.158 1.00 0.00 N ATOM 1537 CA PRO B 28 13.704 7.093 -15.727 1.00 0.00 C ATOM 1538 C PRO B 28 14.396 6.112 -16.674 1.00 0.00 C ATOM 1539 O PRO B 28 13.859 5.046 -16.974 1.00 0.00 O ATOM 1540 CB PRO B 28 12.677 7.930 -16.494 1.00 0.00 C ATOM 1541 CG PRO B 28 12.741 9.280 -15.871 1.00 0.00 C ATOM 1542 CD PRO B 28 14.172 9.469 -15.459 1.00 0.00 C ATOM 0 HA PRO B 28 13.275 6.467 -14.945 1.00 0.00 H new ATOM 0 HB2 PRO B 28 12.917 7.973 -17.556 1.00 0.00 H new ATOM 0 HB3 PRO B 28 11.678 7.503 -16.410 1.00 0.00 H new ATOM 0 HG2 PRO B 28 12.431 10.052 -16.576 1.00 0.00 H new ATOM 0 HG3 PRO B 28 12.074 9.347 -15.012 1.00 0.00 H new ATOM 0 HD2 PRO B 28 14.764 9.920 -16.255 1.00 0.00 H new ATOM 0 HD3 PRO B 28 14.258 10.121 -14.590 1.00 0.00 H new ATOM 1550 N SER B 29 15.577 6.478 -17.146 1.00 0.00 N ATOM 1551 CA SER B 29 16.344 5.625 -18.039 1.00 0.00 C ATOM 1552 C SER B 29 17.230 4.656 -17.252 1.00 0.00 C ATOM 1553 O SER B 29 17.807 3.722 -17.815 1.00 0.00 O ATOM 1554 CB SER B 29 17.173 6.497 -18.979 1.00 0.00 C ATOM 1555 OG SER B 29 17.485 7.742 -18.366 1.00 0.00 O ATOM 0 H SER B 29 16.027 7.366 -16.924 1.00 0.00 H new ATOM 0 HA SER B 29 15.658 5.019 -18.631 1.00 0.00 H new ATOM 0 HB2 SER B 29 18.093 5.978 -19.248 1.00 0.00 H new ATOM 0 HB3 SER B 29 16.622 6.669 -19.904 1.00 0.00 H new ATOM 0 HG SER B 29 17.824 7.585 -17.460 1.00 0.00 H new ATOM 1561 N LYS B 30 17.331 4.881 -15.951 1.00 0.00 N ATOM 1562 CA LYS B 30 18.059 3.981 -15.072 1.00 0.00 C ATOM 1563 C LYS B 30 17.065 3.073 -14.357 1.00 0.00 C ATOM 1564 O LYS B 30 17.236 1.855 -14.300 1.00 0.00 O ATOM 1565 CB LYS B 30 18.879 4.778 -14.055 1.00 0.00 C ATOM 1566 CG LYS B 30 19.855 3.936 -13.254 1.00 0.00 C ATOM 1567 CD LYS B 30 20.576 4.772 -12.210 1.00 0.00 C ATOM 1568 CE LYS B 30 21.639 3.966 -11.482 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.733 3.537 -12.394 1.00 0.00 N ATOM 0 H LYS B 30 16.915 5.684 -15.479 1.00 0.00 H new ATOM 0 HA LYS B 30 18.747 3.374 -15.661 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.432 5.557 -14.580 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.198 5.279 -13.367 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.320 3.122 -12.765 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.583 3.481 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.038 5.635 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.854 5.157 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS B 30 22.056 4.564 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS B 30 21.180 3.088 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.549 3.219 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.399 2.755 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.017 4.337 -12.995 1.00 0.00 H new ATOM 1583 N TYR B 31 16.026 3.690 -13.816 1.00 0.00 N ATOM 1584 CA TYR B 31 14.910 2.972 -13.224 1.00 0.00 C ATOM 1585 C TYR B 31 13.616 3.620 -13.688 1.00 0.00 C ATOM 1586 O TYR B 31 13.554 4.837 -13.836 1.00 0.00 O ATOM 1587 CB TYR B 31 14.988 2.985 -11.692 1.00 0.00 C ATOM 1588 CG TYR B 31 16.157 2.209 -11.122 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.090 0.829 -10.967 1.00 0.00 C ATOM 1590 CD2 TYR B 31 17.324 2.855 -10.739 1.00 0.00 C ATOM 1591 CE1 TYR B 31 17.154 0.118 -10.444 1.00 0.00 C ATOM 1592 CE2 TYR B 31 18.391 2.150 -10.216 1.00 0.00 C ATOM 1593 CZ TYR B 31 18.303 0.783 -10.071 1.00 0.00 C ATOM 1594 OH TYR B 31 19.366 0.081 -9.547 1.00 0.00 O ATOM 0 H TYR B 31 15.934 4.705 -13.775 1.00 0.00 H new ATOM 0 HA TYR B 31 14.947 1.931 -13.544 1.00 0.00 H new ATOM 0 HB2 TYR B 31 15.052 4.019 -11.352 1.00 0.00 H new ATOM 0 HB3 TYR B 31 14.063 2.574 -11.289 1.00 0.00 H new ATOM 0 HD1 TYR B 31 15.193 0.304 -11.260 1.00 0.00 H new ATOM 0 HD2 TYR B 31 17.399 3.926 -10.852 1.00 0.00 H new ATOM 0 HE1 TYR B 31 17.086 -0.954 -10.328 1.00 0.00 H new ATOM 0 HE2 TYR B 31 19.291 2.669 -9.922 1.00 0.00 H new ATOM 0 HH TYR B 31 20.096 0.701 -9.338 1.00 0.00 H new ATOM 1604 N THR B 32 12.592 2.820 -13.930 1.00 0.00 N ATOM 1605 CA THR B 32 11.342 3.335 -14.467 1.00 0.00 C ATOM 1606 C THR B 32 10.587 4.153 -13.416 1.00 0.00 C ATOM 1607 O THR B 32 9.886 3.604 -12.572 1.00 0.00 O ATOM 1608 CB THR B 32 10.452 2.188 -14.980 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.213 1.332 -15.846 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.243 2.726 -15.734 1.00 0.00 C ATOM 0 H THR B 32 12.600 1.814 -13.764 1.00 0.00 H new ATOM 0 HA THR B 32 11.587 3.989 -15.304 1.00 0.00 H new ATOM 0 HB THR B 32 10.098 1.622 -14.118 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.643 0.603 -16.168 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.633 1.894 -16.084 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.651 3.356 -15.070 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.579 3.314 -16.588 1.00 0.00 H new ATOM 1618 N VAL B 33 10.760 5.465 -13.456 1.00 0.00 N ATOM 1619 CA VAL B 33 10.090 6.348 -12.513 1.00 0.00 C ATOM 1620 C VAL B 33 8.669 6.647 -12.977 1.00 0.00 C ATOM 1621 O VAL B 33 8.456 7.145 -14.083 1.00 0.00 O ATOM 1622 CB VAL B 33 10.862 7.673 -12.329 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.176 8.564 -11.303 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.301 7.398 -11.921 1.00 0.00 C ATOM 0 H VAL B 33 11.358 5.942 -14.131 1.00 0.00 H new ATOM 0 HA VAL B 33 10.058 5.833 -11.553 1.00 0.00 H new ATOM 0 HB VAL B 33 10.867 8.199 -13.284 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.739 9.491 -11.192 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.164 8.792 -11.638 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.133 8.048 -10.344 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.830 8.342 -11.796 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.314 6.847 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.792 6.807 -12.694 1.00 0.00 H new ATOM 1634 N GLU B 34 7.704 6.333 -12.128 1.00 0.00 N ATOM 1635 CA GLU B 34 6.303 6.555 -12.440 1.00 0.00 C ATOM 1636 C GLU B 34 5.671 7.472 -11.398 1.00 0.00 C ATOM 1637 O GLU B 34 5.667 7.164 -10.205 1.00 0.00 O ATOM 1638 CB GLU B 34 5.561 5.215 -12.516 1.00 0.00 C ATOM 1639 CG GLU B 34 4.056 5.350 -12.696 1.00 0.00 C ATOM 1640 CD GLU B 34 3.397 4.051 -13.120 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.743 2.983 -12.569 1.00 0.00 O ATOM 1642 OE2 GLU B 34 2.544 4.091 -14.033 1.00 0.00 O ATOM 0 H GLU B 34 7.868 5.920 -11.210 1.00 0.00 H new ATOM 0 HA GLU B 34 6.227 7.042 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.965 4.634 -13.345 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.758 4.650 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.612 5.689 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.851 6.117 -13.443 1.00 0.00 H new ATOM 1649 N ILE B 35 5.167 8.612 -11.851 1.00 0.00 N ATOM 1650 CA ILE B 35 4.544 9.581 -10.961 1.00 0.00 C ATOM 1651 C ILE B 35 3.054 9.291 -10.814 1.00 0.00 C ATOM 1652 O ILE B 35 2.337 9.158 -11.808 1.00 0.00 O ATOM 1653 CB ILE B 35 4.729 11.025 -11.480 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.216 11.342 -11.679 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.094 12.027 -10.523 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.045 11.241 -10.415 1.00 0.00 C ATOM 0 H ILE B 35 5.178 8.888 -12.833 1.00 0.00 H new ATOM 0 HA ILE B 35 5.033 9.492 -9.991 1.00 0.00 H new ATOM 0 HB ILE B 35 4.228 11.106 -12.444 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.625 10.660 -12.424 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.311 12.350 -12.083 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.236 13.037 -10.907 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.028 11.819 -10.433 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.564 11.942 -9.543 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.084 11.480 -10.641 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.664 11.943 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.984 10.227 -10.020 1.00 0.00 H new ATOM 1668 N VAL B 36 2.596 9.187 -9.576 1.00 0.00 N ATOM 1669 CA VAL B 36 1.192 8.935 -9.298 1.00 0.00 C ATOM 1670 C VAL B 36 0.566 10.140 -8.599 1.00 0.00 C ATOM 1671 O VAL B 36 0.799 10.376 -7.410 1.00 0.00 O ATOM 1672 CB VAL B 36 1.001 7.675 -8.426 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.476 7.356 -8.258 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.741 6.486 -9.025 1.00 0.00 C ATOM 0 H VAL B 36 3.180 9.274 -8.744 1.00 0.00 H new ATOM 0 HA VAL B 36 0.695 8.767 -10.253 1.00 0.00 H new ATOM 0 HB VAL B 36 1.422 7.878 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.588 6.465 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.977 8.196 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.923 7.178 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.592 5.610 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.356 6.283 -10.024 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.805 6.713 -9.086 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.210 10.907 -9.352 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.831 12.119 -8.837 1.00 0.00 C ATOM 1686 C HIS B 37 -2.207 11.801 -8.257 1.00 0.00 C ATOM 1687 O HIS B 37 -3.158 11.514 -8.990 1.00 0.00 O ATOM 1688 CB HIS B 37 -0.950 13.158 -9.956 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.221 14.552 -9.476 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -2.495 14.997 -9.236 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.350 15.560 -9.235 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.373 16.260 -8.861 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -1.091 16.646 -8.846 1.00 0.00 N ATOM 0 H HIS B 37 -0.426 10.709 -10.329 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.207 12.528 -8.042 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.027 13.159 -10.535 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.750 12.857 -10.632 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.725 15.517 -9.331 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -3.203 16.899 -8.600 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.735 17.568 -8.594 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.308 11.859 -6.937 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.539 11.505 -6.237 1.00 0.00 C ATOM 1703 C LEU B 38 -4.591 12.600 -6.384 1.00 0.00 C ATOM 1704 O LEU B 38 -5.773 12.377 -6.127 1.00 0.00 O ATOM 1705 CB LEU B 38 -3.253 11.251 -4.754 1.00 0.00 C ATOM 1706 CG LEU B 38 -2.115 10.266 -4.466 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -2.036 9.965 -2.979 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.295 8.983 -5.258 1.00 0.00 C ATOM 0 H LEU B 38 -1.547 12.150 -6.323 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.930 10.593 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -3.017 12.203 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.163 10.877 -4.284 1.00 0.00 H new ATOM 0 HG LEU B 38 -1.179 10.729 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.223 9.264 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -1.852 10.889 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.977 9.526 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.475 8.300 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.241 8.515 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.299 9.211 -6.324 1.00 0.00 H new ATOM 1720 N GLY B 39 -4.156 13.782 -6.800 1.00 0.00 N ATOM 1721 CA GLY B 39 -5.084 14.875 -7.026 1.00 0.00 C ATOM 1722 C GLY B 39 -5.800 14.726 -8.352 1.00 0.00 C ATOM 1723 O GLY B 39 -6.845 15.334 -8.582 1.00 0.00 O ATOM 0 H GLY B 39 -3.178 14.004 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.815 14.907 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.545 15.822 -7.006 1.00 0.00 H new ATOM 1727 N THR B 40 -5.223 13.919 -9.229 1.00 0.00 N ATOM 1728 CA THR B 40 -5.825 13.633 -10.516 1.00 0.00 C ATOM 1729 C THR B 40 -6.882 12.543 -10.373 1.00 0.00 C ATOM 1730 O THR B 40 -7.984 12.653 -10.917 1.00 0.00 O ATOM 1731 CB THR B 40 -4.754 13.203 -11.540 1.00 0.00 C ATOM 1732 OG1 THR B 40 -3.773 14.240 -11.671 1.00 0.00 O ATOM 1733 CG2 THR B 40 -5.370 12.916 -12.901 1.00 0.00 C ATOM 0 H THR B 40 -4.332 13.449 -9.068 1.00 0.00 H new ATOM 0 HA THR B 40 -6.301 14.543 -10.880 1.00 0.00 H new ATOM 0 HB THR B 40 -4.287 12.287 -11.177 1.00 0.00 H new ATOM 0 HG1 THR B 40 -3.399 14.449 -10.790 1.00 0.00 H new ATOM 0 HG21 THR B 40 -4.588 12.616 -13.598 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.101 12.113 -12.808 1.00 0.00 H new ATOM 0 HG23 THR B 40 -5.863 13.814 -13.274 1.00 0.00 H new ATOM 1741 N ASP B 41 -6.555 11.504 -9.617 1.00 0.00 N ATOM 1742 CA ASP B 41 -7.485 10.405 -9.395 1.00 0.00 C ATOM 1743 C ASP B 41 -7.548 10.043 -7.924 1.00 0.00 C ATOM 1744 O ASP B 41 -6.541 9.651 -7.332 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.083 9.157 -10.189 1.00 0.00 C ATOM 1746 CG ASP B 41 -7.139 9.345 -11.689 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -8.222 9.686 -12.212 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -6.100 9.137 -12.352 1.00 0.00 O ATOM 0 H ASP B 41 -5.655 11.399 -9.148 1.00 0.00 H new ATOM 0 HA ASP B 41 -8.463 10.745 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.071 8.868 -9.906 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.740 8.333 -9.910 1.00 0.00 H new ATOM 1753 N LYS B 42 -8.733 10.154 -7.337 1.00 0.00 N ATOM 1754 CA LYS B 42 -8.944 9.699 -5.966 1.00 0.00 C ATOM 1755 C LYS B 42 -8.844 8.181 -5.903 1.00 0.00 C ATOM 1756 O LYS B 42 -8.669 7.595 -4.834 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.302 10.154 -5.432 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.372 11.636 -5.111 1.00 0.00 C ATOM 1759 CD LYS B 42 -11.678 11.980 -4.419 1.00 0.00 C ATOM 1760 CE LYS B 42 -11.708 13.426 -3.959 1.00 0.00 C ATOM 1761 NZ LYS B 42 -12.973 13.745 -3.246 1.00 0.00 N ATOM 0 H LYS B 42 -9.559 10.552 -7.784 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.169 10.142 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.069 9.915 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -10.536 9.586 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -9.533 11.914 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.279 12.216 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -12.509 11.798 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.819 11.323 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -10.860 13.617 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.598 14.085 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.961 14.741 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -13.780 13.586 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -13.065 13.132 -2.411 1.00 0.00 H new ATOM 1775 N ALA B 43 -8.955 7.552 -7.064 1.00 0.00 N ATOM 1776 CA ALA B 43 -8.777 6.115 -7.181 1.00 0.00 C ATOM 1777 C ALA B 43 -7.329 5.733 -6.903 1.00 0.00 C ATOM 1778 O ALA B 43 -7.050 4.670 -6.350 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.194 5.649 -8.566 1.00 0.00 C ATOM 0 H ALA B 43 -9.169 8.020 -7.944 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.409 5.623 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.057 4.570 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.243 5.894 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -8.582 6.148 -9.317 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.413 6.626 -7.261 1.00 0.00 N ATOM 1786 CA ARG B 44 -4.991 6.386 -7.053 1.00 0.00 C ATOM 1787 C ARG B 44 -4.646 6.476 -5.571 1.00 0.00 C ATOM 1788 O ARG B 44 -3.626 5.949 -5.129 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.148 7.371 -7.865 1.00 0.00 C ATOM 1790 CG ARG B 44 -4.362 7.256 -9.366 1.00 0.00 C ATOM 1791 CD ARG B 44 -3.419 8.158 -10.144 1.00 0.00 C ATOM 1792 NE ARG B 44 -3.691 8.120 -11.581 1.00 0.00 N ATOM 1793 CZ ARG B 44 -2.913 7.507 -12.475 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -1.829 6.845 -12.080 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -3.232 7.545 -13.762 1.00 0.00 N ATOM 0 H ARG B 44 -6.630 7.522 -7.697 1.00 0.00 H new ATOM 0 HA ARG B 44 -4.760 5.379 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -4.385 8.387 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.094 7.205 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -4.213 6.222 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -5.393 7.515 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -3.515 9.182 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -2.389 7.851 -9.961 1.00 0.00 H new ATOM 0 HE ARG B 44 -4.529 8.592 -11.921 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -1.589 6.804 -11.089 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -1.238 6.378 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -4.070 8.042 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -2.640 7.078 -14.448 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.506 7.146 -4.805 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.358 7.191 -3.354 1.00 0.00 C ATOM 1811 C ILE B 45 -5.445 5.777 -2.793 1.00 0.00 C ATOM 1812 O ILE B 45 -4.663 5.384 -1.928 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.442 8.077 -2.693 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.315 9.528 -3.170 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.347 8.006 -1.174 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.367 10.452 -2.590 1.00 0.00 C ATOM 0 H ILE B 45 -6.309 7.663 -5.165 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.386 7.629 -3.128 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.419 7.698 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.327 9.904 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.383 9.551 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -7.118 8.636 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.489 6.976 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.365 8.355 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.215 11.462 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.358 10.101 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.286 10.459 -1.503 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.388 5.007 -3.325 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.550 3.619 -2.930 1.00 0.00 C ATOM 1830 C ALA B 46 -5.334 2.803 -3.349 1.00 0.00 C ATOM 1831 O ALA B 46 -4.875 1.936 -2.611 1.00 0.00 O ATOM 1832 CB ALA B 46 -7.818 3.039 -3.540 1.00 0.00 C ATOM 0 H ALA B 46 -7.051 5.324 -4.032 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.638 3.574 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.925 1.998 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.681 3.609 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.757 3.094 -4.627 1.00 0.00 H new ATOM 1838 N GLU B 47 -4.803 3.103 -4.532 1.00 0.00 N ATOM 1839 CA GLU B 47 -3.622 2.411 -5.043 1.00 0.00 C ATOM 1840 C GLU B 47 -2.423 2.649 -4.137 1.00 0.00 C ATOM 1841 O GLU B 47 -1.600 1.756 -3.931 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.298 2.867 -6.463 1.00 0.00 C ATOM 1843 CG GLU B 47 -4.442 2.665 -7.435 1.00 0.00 C ATOM 1844 CD GLU B 47 -4.018 2.852 -8.873 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -4.064 3.998 -9.369 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -3.646 1.848 -9.514 1.00 0.00 O ATOM 0 H GLU B 47 -5.172 3.821 -5.155 1.00 0.00 H new ATOM 0 HA GLU B 47 -3.843 1.344 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -3.028 3.923 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.425 2.321 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.851 1.663 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -5.242 3.367 -7.201 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.334 3.854 -3.594 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.288 4.182 -2.641 1.00 0.00 C ATOM 1855 C ALA B 48 -1.381 3.275 -1.421 1.00 0.00 C ATOM 1856 O ALA B 48 -0.379 2.713 -0.977 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.378 5.644 -2.237 1.00 0.00 C ATOM 0 H ALA B 48 -2.975 4.621 -3.798 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.320 4.020 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.587 5.873 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.263 6.273 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.348 5.836 -1.778 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.594 3.111 -0.901 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.827 2.226 0.236 1.00 0.00 C ATOM 1865 C GLU B 49 -2.507 0.778 -0.130 1.00 0.00 C ATOM 1866 O GLU B 49 -2.014 0.017 0.700 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.273 2.336 0.722 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.643 3.717 1.239 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.062 3.776 1.764 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -7.001 3.857 0.946 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -6.250 3.734 3.000 1.00 0.00 O ATOM 0 H GLU B 49 -3.431 3.579 -1.249 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.163 2.537 1.043 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.943 2.073 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.437 1.606 1.514 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.953 4.002 2.033 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.525 4.446 0.437 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.779 0.409 -1.381 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.475 -0.935 -1.875 1.00 0.00 C ATOM 1880 C LYS B 50 -0.972 -1.207 -1.808 1.00 0.00 C ATOM 1881 O LYS B 50 -0.545 -2.323 -1.510 1.00 0.00 O ATOM 1882 CB LYS B 50 -2.967 -1.108 -3.320 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.466 -0.912 -3.490 1.00 0.00 C ATOM 1884 CD LYS B 50 -4.887 -0.990 -4.951 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.337 -0.563 -5.133 1.00 0.00 C ATOM 1886 NZ LYS B 50 -6.789 -0.664 -6.550 1.00 0.00 N ATOM 0 H LYS B 50 -3.210 1.022 -2.073 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.994 -1.651 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -2.443 -0.397 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -2.700 -2.106 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -4.999 -1.672 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -4.754 0.056 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -4.240 -0.352 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -4.757 -2.009 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -6.977 -1.184 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.455 0.465 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.782 -0.362 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.198 -0.051 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.703 -1.649 -6.872 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.178 -0.177 -2.079 1.00 0.00 N ATOM 1901 CA ALA B 51 1.276 -0.296 -2.044 1.00 0.00 C ATOM 1902 C ALA B 51 1.804 -0.159 -0.618 1.00 0.00 C ATOM 1903 O ALA B 51 2.895 -0.634 -0.296 1.00 0.00 O ATOM 1904 CB ALA B 51 1.912 0.748 -2.949 1.00 0.00 C ATOM 0 H ALA B 51 -0.518 0.753 -2.326 1.00 0.00 H new ATOM 0 HA ALA B 51 1.545 -1.288 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.997 0.648 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.567 0.601 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.628 1.744 -2.610 1.00 0.00 H new ATOM 1910 N GLY B 52 1.021 0.494 0.233 1.00 0.00 N ATOM 1911 CA GLY B 52 1.410 0.665 1.620 1.00 0.00 C ATOM 1912 C GLY B 52 1.801 2.094 1.940 1.00 0.00 C ATOM 1913 O GLY B 52 2.337 2.373 3.016 1.00 0.00 O ATOM 0 H GLY B 52 0.122 0.909 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.585 0.364 2.265 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.247 0.004 1.844 1.00 0.00 H new ATOM 1917 N VAL B 53 1.522 2.997 1.007 1.00 0.00 N ATOM 1918 CA VAL B 53 1.837 4.409 1.178 1.00 0.00 C ATOM 1919 C VAL B 53 0.936 5.020 2.245 1.00 0.00 C ATOM 1920 O VAL B 53 -0.288 5.004 2.121 1.00 0.00 O ATOM 1921 CB VAL B 53 1.669 5.186 -0.146 1.00 0.00 C ATOM 1922 CG1 VAL B 53 2.077 6.641 0.022 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.472 4.528 -1.257 1.00 0.00 C ATOM 0 H VAL B 53 1.075 2.773 0.118 1.00 0.00 H new ATOM 0 HA VAL B 53 2.879 4.483 1.490 1.00 0.00 H new ATOM 0 HB VAL B 53 0.615 5.161 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.949 7.166 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.453 7.108 0.783 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.122 6.693 0.328 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.341 5.089 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.528 4.517 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.124 3.505 -1.401 1.00 0.00 H new ATOM 1933 N LYS B 54 1.548 5.548 3.295 1.00 0.00 N ATOM 1934 CA LYS B 54 0.799 6.039 4.441 1.00 0.00 C ATOM 1935 C LYS B 54 0.752 7.562 4.464 1.00 0.00 C ATOM 1936 O LYS B 54 -0.050 8.159 5.185 1.00 0.00 O ATOM 1937 CB LYS B 54 1.415 5.493 5.728 1.00 0.00 C ATOM 1938 CG LYS B 54 1.456 3.974 5.756 1.00 0.00 C ATOM 1939 CD LYS B 54 2.156 3.438 6.990 1.00 0.00 C ATOM 1940 CE LYS B 54 2.250 1.921 6.947 1.00 0.00 C ATOM 1941 NZ LYS B 54 3.078 1.444 5.805 1.00 0.00 N ATOM 0 H LYS B 54 2.560 5.647 3.377 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.229 5.686 4.360 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.427 5.882 5.836 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.842 5.853 6.582 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.438 3.585 5.721 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.967 3.610 4.865 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.156 3.866 7.060 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.614 3.747 7.883 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.678 1.558 7.881 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.248 1.498 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.214 0.416 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.596 1.665 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 4.003 1.918 5.825 1.00 0.00 H new ATOM 1955 N SER B 55 1.618 8.195 3.692 1.00 0.00 N ATOM 1956 CA SER B 55 1.599 9.642 3.576 1.00 0.00 C ATOM 1957 C SER B 55 1.977 10.082 2.164 1.00 0.00 C ATOM 1958 O SER B 55 2.753 9.413 1.484 1.00 0.00 O ATOM 1959 CB SER B 55 2.555 10.252 4.604 1.00 0.00 C ATOM 1960 OG SER B 55 2.207 9.840 5.918 1.00 0.00 O ATOM 0 H SER B 55 2.339 7.732 3.139 1.00 0.00 H new ATOM 0 HA SER B 55 0.587 9.996 3.774 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.578 9.949 4.381 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.523 11.340 4.538 1.00 0.00 H new ATOM 0 HG SER B 55 3.004 9.500 6.376 1.00 0.00 H new ATOM 1966 N VAL B 56 1.401 11.195 1.720 1.00 0.00 N ATOM 1967 CA VAL B 56 1.771 11.789 0.447 1.00 0.00 C ATOM 1968 C VAL B 56 3.135 12.473 0.585 1.00 0.00 C ATOM 1969 O VAL B 56 3.654 12.551 1.706 1.00 0.00 O ATOM 1970 CB VAL B 56 0.691 12.755 -0.089 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.521 11.975 -0.557 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.290 13.775 0.957 1.00 0.00 C ATOM 0 H VAL B 56 0.675 11.702 2.227 1.00 0.00 H new ATOM 0 HA VAL B 56 1.847 10.995 -0.295 1.00 0.00 H new ATOM 0 HB VAL B 56 1.115 13.297 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.276 12.666 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -0.228 11.290 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.932 11.407 0.277 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.471 14.438 0.546 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.110 13.262 1.831 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.162 14.360 1.248 1.00 0.00 H new ATOM 1982 N PRO B 57 3.616 13.179 -0.467 1.00 0.00 N ATOM 1983 CA PRO B 57 4.982 13.123 -0.933 1.00 0.00 C ATOM 1984 C PRO B 57 5.824 11.966 -0.384 1.00 0.00 C ATOM 1985 O PRO B 57 6.493 12.064 0.646 1.00 0.00 O ATOM 1986 CB PRO B 57 5.433 14.518 -0.537 1.00 0.00 C ATOM 1987 CG PRO B 57 4.203 15.357 -0.843 1.00 0.00 C ATOM 1988 CD PRO B 57 3.046 14.375 -1.056 1.00 0.00 C ATOM 0 HA PRO B 57 5.094 12.895 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.710 14.572 0.516 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.300 14.843 -1.112 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.986 16.040 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.362 15.968 -1.732 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.133 14.692 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.800 14.244 -2.110 1.00 0.00 H new ATOM 1996 N ALA B 58 5.759 10.853 -1.120 1.00 0.00 N ATOM 1997 CA ALA B 58 6.522 9.648 -0.818 1.00 0.00 C ATOM 1998 C ALA B 58 6.922 8.938 -2.110 1.00 0.00 C ATOM 1999 O ALA B 58 6.238 9.062 -3.125 1.00 0.00 O ATOM 2000 CB ALA B 58 5.701 8.712 0.055 1.00 0.00 C ATOM 0 H ALA B 58 5.169 10.767 -1.948 1.00 0.00 H new ATOM 0 HA ALA B 58 7.425 9.934 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.281 7.816 0.274 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.445 9.215 0.987 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.787 8.433 -0.470 1.00 0.00 H new ATOM 2006 N LEU B 59 8.021 8.196 -2.072 1.00 0.00 N ATOM 2007 CA LEU B 59 8.502 7.478 -3.248 1.00 0.00 C ATOM 2008 C LEU B 59 8.667 5.993 -2.919 1.00 0.00 C ATOM 2009 O LEU B 59 9.324 5.633 -1.947 1.00 0.00 O ATOM 2010 CB LEU B 59 9.829 8.090 -3.726 1.00 0.00 C ATOM 2011 CG LEU B 59 10.295 7.685 -5.132 1.00 0.00 C ATOM 2012 CD1 LEU B 59 11.275 8.713 -5.674 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.947 6.313 -5.119 1.00 0.00 C ATOM 0 H LEU B 59 8.598 8.075 -1.239 1.00 0.00 H new ATOM 0 HA LEU B 59 7.774 7.570 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU B 59 9.736 9.176 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.608 7.816 -3.015 1.00 0.00 H new ATOM 0 HG LEU B 59 9.418 7.643 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.599 8.416 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU B 59 10.789 9.687 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU B 59 12.141 8.774 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU B 59 11.267 6.053 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU B 59 11.812 6.328 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU B 59 10.230 5.573 -4.763 1.00 0.00 H new ATOM 2025 N VAL B 60 8.058 5.140 -3.726 1.00 0.00 N ATOM 2026 CA VAL B 60 8.093 3.703 -3.496 1.00 0.00 C ATOM 2027 C VAL B 60 8.966 3.000 -4.538 1.00 0.00 C ATOM 2028 O VAL B 60 8.660 3.018 -5.729 1.00 0.00 O ATOM 2029 CB VAL B 60 6.670 3.107 -3.533 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.695 1.616 -3.241 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.761 3.829 -2.552 1.00 0.00 C ATOM 0 H VAL B 60 7.529 5.419 -4.552 1.00 0.00 H new ATOM 0 HA VAL B 60 8.523 3.541 -2.508 1.00 0.00 H new ATOM 0 HB VAL B 60 6.273 3.247 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.679 1.222 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.305 1.109 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL B 60 7.119 1.446 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.762 3.394 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL B 60 6.160 3.726 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.708 4.885 -2.815 1.00 0.00 H new ATOM 2041 N ILE B 61 10.048 2.382 -4.083 1.00 0.00 N ATOM 2042 CA ILE B 61 10.956 1.667 -4.974 1.00 0.00 C ATOM 2043 C ILE B 61 10.615 0.179 -4.994 1.00 0.00 C ATOM 2044 O ILE B 61 10.834 -0.519 -4.000 1.00 0.00 O ATOM 2045 CB ILE B 61 12.431 1.838 -4.545 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.795 3.323 -4.450 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.356 1.122 -5.523 1.00 0.00 C ATOM 2048 CD1 ILE B 61 14.204 3.577 -3.957 1.00 0.00 C ATOM 0 H ILE B 61 10.320 2.361 -3.100 1.00 0.00 H new ATOM 0 HA ILE B 61 10.832 2.093 -5.970 1.00 0.00 H new ATOM 0 HB ILE B 61 12.558 1.390 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.676 3.780 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.091 3.818 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.391 1.252 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.113 0.060 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.226 1.542 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.387 4.651 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.323 3.151 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.917 3.113 -4.638 1.00 0.00 H new ATOM 2060 N ASP B 62 10.040 -0.282 -6.114 1.00 0.00 N ATOM 2061 CA ASP B 62 9.655 -1.694 -6.311 1.00 0.00 C ATOM 2062 C ASP B 62 8.492 -2.125 -5.414 1.00 0.00 C ATOM 2063 O ASP B 62 7.675 -2.962 -5.804 1.00 0.00 O ATOM 2064 CB ASP B 62 10.841 -2.642 -6.095 1.00 0.00 C ATOM 2065 CG ASP B 62 11.719 -2.783 -7.321 1.00 0.00 C ATOM 2066 OD1 ASP B 62 11.229 -3.289 -8.353 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.912 -2.426 -7.251 1.00 0.00 O ATOM 0 H ASP B 62 9.826 0.313 -6.914 1.00 0.00 H new ATOM 0 HA ASP B 62 9.325 -1.762 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.444 -2.277 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP B 62 10.466 -3.625 -5.809 1.00 0.00 H new ATOM 2072 N GLY B 63 8.419 -1.549 -4.226 1.00 0.00 N ATOM 2073 CA GLY B 63 7.424 -1.947 -3.252 1.00 0.00 C ATOM 2074 C GLY B 63 7.726 -1.394 -1.873 1.00 0.00 C ATOM 2075 O GLY B 63 6.847 -1.336 -1.013 1.00 0.00 O ATOM 0 H GLY B 63 9.040 -0.802 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.442 -1.601 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.378 -3.035 -3.204 1.00 0.00 H new ATOM 2079 N ALA B 64 8.973 -0.991 -1.654 1.00 0.00 N ATOM 2080 CA ALA B 64 9.364 -0.369 -0.397 1.00 0.00 C ATOM 2081 C ALA B 64 9.055 1.123 -0.428 1.00 0.00 C ATOM 2082 O ALA B 64 9.543 1.848 -1.298 1.00 0.00 O ATOM 2083 CB ALA B 64 10.843 -0.604 -0.128 1.00 0.00 C ATOM 0 H ALA B 64 9.730 -1.085 -2.332 1.00 0.00 H new ATOM 0 HA ALA B 64 8.791 -0.823 0.411 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.121 -0.133 0.815 1.00 0.00 H new ATOM 0 HB2 ALA B 64 11.036 -1.675 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.433 -0.172 -0.937 1.00 0.00 H new ATOM 2089 N ALA B 65 8.239 1.577 0.514 1.00 0.00 N ATOM 2090 CA ALA B 65 7.799 2.964 0.542 1.00 0.00 C ATOM 2091 C ALA B 65 8.764 3.846 1.326 1.00 0.00 C ATOM 2092 O ALA B 65 9.034 3.603 2.505 1.00 0.00 O ATOM 2093 CB ALA B 65 6.400 3.058 1.132 1.00 0.00 C ATOM 0 H ALA B 65 7.868 1.002 1.271 1.00 0.00 H new ATOM 0 HA ALA B 65 7.781 3.328 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.081 4.100 1.148 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.708 2.476 0.523 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.407 2.665 2.149 1.00 0.00 H new ATOM 2099 N PHE B 66 9.287 4.863 0.664 1.00 0.00 N ATOM 2100 CA PHE B 66 10.156 5.833 1.305 1.00 0.00 C ATOM 2101 C PHE B 66 9.552 7.226 1.190 1.00 0.00 C ATOM 2102 O PHE B 66 9.576 7.834 0.122 1.00 0.00 O ATOM 2103 CB PHE B 66 11.550 5.813 0.671 1.00 0.00 C ATOM 2104 CG PHE B 66 12.250 4.489 0.782 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.825 4.093 1.980 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.332 3.639 -0.309 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.468 2.876 2.087 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.976 2.420 -0.206 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.544 2.039 0.993 1.00 0.00 C ATOM 0 H PHE B 66 9.122 5.039 -0.327 1.00 0.00 H new ATOM 0 HA PHE B 66 10.252 5.569 2.358 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.463 6.080 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.165 6.579 1.144 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.769 4.744 2.840 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.888 3.932 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.911 2.580 3.026 1.00 0.00 H new ATOM 0 HE2 PHE B 66 13.035 1.766 -1.063 1.00 0.00 H new ATOM 0 HZ PHE B 66 14.047 1.087 1.075 1.00 0.00 H new ATOM 2119 N HIS B 67 8.982 7.712 2.281 1.00 0.00 N ATOM 2120 CA HIS B 67 8.401 9.048 2.307 1.00 0.00 C ATOM 2121 C HIS B 67 9.506 10.087 2.153 1.00 0.00 C ATOM 2122 O HIS B 67 10.458 10.101 2.932 1.00 0.00 O ATOM 2123 CB HIS B 67 7.628 9.275 3.616 1.00 0.00 C ATOM 2124 CG HIS B 67 6.491 8.313 3.832 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.573 7.187 4.623 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.221 8.332 3.348 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.382 6.571 4.594 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.523 7.226 3.833 1.00 0.00 N ATOM 0 H HIS B 67 8.908 7.202 3.161 1.00 0.00 H new ATOM 0 HA HIS B 67 7.699 9.147 1.479 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.321 9.196 4.453 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.236 10.292 3.622 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.396 6.877 5.140 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.815 9.086 2.690 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.154 5.658 5.124 1.00 0.00 H new ATOM 2136 N ILE B 68 9.386 10.944 1.146 1.00 0.00 N ATOM 2137 CA ILE B 68 10.443 11.897 0.828 1.00 0.00 C ATOM 2138 C ILE B 68 10.037 13.288 1.283 1.00 0.00 C ATOM 2139 O ILE B 68 9.290 13.980 0.588 1.00 0.00 O ATOM 2140 CB ILE B 68 10.764 11.918 -0.685 1.00 0.00 C ATOM 2141 CG1 ILE B 68 11.162 10.519 -1.173 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.871 12.921 -0.987 1.00 0.00 C ATOM 2143 CD1 ILE B 68 12.388 9.953 -0.485 1.00 0.00 C ATOM 0 H ILE B 68 8.570 10.999 0.537 1.00 0.00 H new ATOM 0 HA ILE B 68 11.343 11.581 1.356 1.00 0.00 H new ATOM 0 HB ILE B 68 9.865 12.227 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE B 68 10.324 9.839 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE B 68 11.346 10.558 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE B 68 12.081 12.920 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.553 13.917 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.772 12.644 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE B 68 12.605 8.962 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE B 68 13.240 10.610 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE B 68 12.202 9.879 0.587 1.00 0.00 H new ATOM 2155 N ASN B 69 10.544 13.682 2.450 1.00 0.00 N ATOM 2156 CA ASN B 69 10.104 14.894 3.132 1.00 0.00 C ATOM 2157 C ASN B 69 8.627 14.780 3.459 1.00 0.00 C ATOM 2158 O ASN B 69 7.777 15.032 2.607 1.00 0.00 O ATOM 2159 CB ASN B 69 10.382 16.160 2.309 1.00 0.00 C ATOM 2160 CG ASN B 69 11.825 16.615 2.418 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.484 16.386 3.431 1.00 0.00 O ATOM 2162 ND2 ASN B 69 12.325 17.273 1.384 1.00 0.00 N ATOM 0 H ASN B 69 11.271 13.169 2.948 1.00 0.00 H new ATOM 0 HA ASN B 69 10.678 14.989 4.054 1.00 0.00 H new ATOM 0 HB2 ASN B 69 10.142 15.970 1.263 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.725 16.961 2.647 1.00 0.00 H new ATOM 0 HD21 ASN B 69 13.288 17.609 1.410 1.00 0.00 H new ATOM 0 HD22 ASN B 69 11.748 17.444 0.561 1.00 0.00 H new ATOM 2169 N PHE B 70 8.347 14.371 4.701 1.00 0.00 N ATOM 2170 CA PHE B 70 6.987 14.074 5.154 1.00 0.00 C ATOM 2171 C PHE B 70 5.986 15.104 4.648 1.00 0.00 C ATOM 2172 O PHE B 70 5.949 16.241 5.121 1.00 0.00 O ATOM 2173 CB PHE B 70 6.937 14.004 6.685 1.00 0.00 C ATOM 2174 CG PHE B 70 5.565 13.718 7.234 1.00 0.00 C ATOM 2175 CD1 PHE B 70 5.035 12.438 7.183 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.806 14.729 7.804 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.776 12.174 7.687 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.547 14.470 8.309 1.00 0.00 C ATOM 2179 CZ PHE B 70 3.031 13.190 8.250 1.00 0.00 C ATOM 0 H PHE B 70 9.058 14.237 5.420 1.00 0.00 H new ATOM 0 HA PHE B 70 6.709 13.105 4.739 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.624 13.230 7.027 1.00 0.00 H new ATOM 0 HB3 PHE B 70 7.293 14.949 7.095 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.613 11.638 6.744 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.205 15.732 7.854 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.375 11.172 7.640 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.967 15.267 8.749 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.046 12.985 8.644 1.00 0.00 H new ATOM 2189 N GLY B 71 5.201 14.694 3.663 1.00 0.00 N ATOM 2190 CA GLY B 71 4.194 15.562 3.114 1.00 0.00 C ATOM 2191 C GLY B 71 2.959 15.596 3.975 1.00 0.00 C ATOM 2192 O GLY B 71 2.873 16.373 4.926 1.00 0.00 O ATOM 0 H GLY B 71 5.248 13.769 3.236 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.597 16.570 3.015 1.00 0.00 H new ATOM 0 HA3 GLY B 71 3.930 15.225 2.112 1.00 0.00 H new ATOM 2196 N ALA B 72 1.991 14.755 3.654 1.00 0.00 N ATOM 2197 CA ALA B 72 0.732 14.767 4.401 1.00 0.00 C ATOM 2198 C ALA B 72 0.213 13.363 4.646 1.00 0.00 C ATOM 2199 O ALA B 72 0.512 12.451 3.891 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.317 15.610 3.685 1.00 0.00 C ATOM 0 H ALA B 72 2.042 14.069 2.901 1.00 0.00 H new ATOM 0 HA ALA B 72 0.934 15.219 5.372 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.243 15.603 4.260 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.043 16.634 3.589 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.502 15.196 2.694 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.581 13.192 5.691 1.00 0.00 N ATOM 2207 CA GLY B 73 -1.190 11.903 5.941 1.00 0.00 C ATOM 2208 C GLY B 73 -2.255 11.593 4.908 1.00 0.00 C ATOM 2209 O GLY B 73 -3.194 12.368 4.730 1.00 0.00 O ATOM 0 H GLY B 73 -0.814 13.919 6.368 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -0.425 11.127 5.924 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.632 11.893 6.937 1.00 0.00 H new ATOM 2213 N ILE B 74 -2.112 10.468 4.217 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.033 10.123 3.139 1.00 0.00 C ATOM 2215 C ILE B 74 -4.418 9.791 3.691 1.00 0.00 C ATOM 2216 O ILE B 74 -5.432 9.985 3.021 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.507 8.937 2.294 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.376 8.745 1.048 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.468 7.655 3.118 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -2.908 7.624 0.150 1.00 0.00 C ATOM 0 H ILE B 74 -1.374 9.784 4.381 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.108 10.996 2.491 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.489 9.168 1.979 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.402 8.546 1.358 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.389 9.674 0.478 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.095 6.837 2.501 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.809 7.793 3.975 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.472 7.417 3.468 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.571 7.547 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.893 7.830 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.921 6.685 0.703 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.455 9.322 4.931 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.708 8.929 5.559 1.00 0.00 C ATOM 2234 C ASP B 75 -6.515 10.162 5.954 1.00 0.00 C ATOM 2235 O ASP B 75 -7.740 10.118 6.038 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.437 8.054 6.783 1.00 0.00 C ATOM 2237 CG ASP B 75 -6.694 7.396 7.315 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -7.069 6.320 6.802 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -7.308 7.941 8.252 1.00 0.00 O ATOM 0 H ASP B 75 -3.632 9.205 5.521 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.290 8.351 4.841 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.710 7.285 6.522 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.989 8.662 7.569 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.816 11.275 6.159 1.00 0.00 N ATOM 2245 CA ASP B 76 -6.463 12.536 6.512 1.00 0.00 C ATOM 2246 C ASP B 76 -7.290 13.052 5.343 1.00 0.00 C ATOM 2247 O ASP B 76 -8.260 13.787 5.526 1.00 0.00 O ATOM 2248 CB ASP B 76 -5.429 13.593 6.908 1.00 0.00 C ATOM 2249 CG ASP B 76 -4.614 13.204 8.124 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -5.151 13.248 9.246 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.417 12.873 7.964 1.00 0.00 O ATOM 0 H ASP B 76 -4.800 11.330 6.087 1.00 0.00 H new ATOM 0 HA ASP B 76 -7.116 12.347 7.364 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -4.756 13.767 6.068 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -5.940 14.535 7.107 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.913 12.634 4.138 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.588 13.068 2.918 1.00 0.00 C ATOM 2258 C LEU B 77 -8.953 12.397 2.780 1.00 0.00 C ATOM 2259 O LEU B 77 -9.702 12.672 1.843 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.726 12.750 1.694 1.00 0.00 C ATOM 2261 CG LEU B 77 -5.333 13.388 1.697 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -4.549 12.960 0.466 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.438 14.905 1.764 1.00 0.00 C ATOM 0 H LEU B 77 -6.138 11.990 3.980 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.738 14.146 2.980 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.613 11.668 1.619 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -7.257 13.077 0.800 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.799 13.043 2.582 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.562 13.422 0.484 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.442 11.875 0.462 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -5.081 13.275 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.438 15.339 1.765 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.991 15.270 0.899 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -5.960 15.194 2.676 1.00 0.00 H new ATOM 2275 N LYS B 78 -9.265 11.507 3.712 1.00 0.00 N ATOM 2276 CA LYS B 78 -10.559 10.845 3.730 1.00 0.00 C ATOM 2277 C LYS B 78 -11.570 11.686 4.502 1.00 0.00 C ATOM 2278 O LYS B 78 -12.778 11.481 4.398 1.00 0.00 O ATOM 2279 CB LYS B 78 -10.438 9.460 4.366 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.463 8.539 3.650 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.262 7.246 4.417 1.00 0.00 C ATOM 2282 CE LYS B 78 -8.243 6.344 3.742 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.973 5.120 4.541 1.00 0.00 N ATOM 0 H LYS B 78 -8.638 11.227 4.466 1.00 0.00 H new ATOM 0 HA LYS B 78 -10.905 10.731 2.703 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -10.122 9.573 5.403 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -11.422 8.991 4.382 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -9.836 8.317 2.650 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -8.505 9.044 3.528 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.932 7.472 5.431 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -10.214 6.721 4.501 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -8.607 6.060 2.754 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -7.313 6.893 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -7.512 4.408 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.348 5.357 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -8.869 4.738 4.905 1.00 0.00 H new