USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 82 LYS NZ :NH3+ 150:sc= -1.09 (180deg=-2.64!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.305 X(o=-1.4,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.0286 (180deg=-0.665) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.0796 (180deg=-0.66) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= -1.85! (180deg=-2.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0376) USER MOD Single : A 28 SER OG : rot -179:sc= -1.59 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= -1.23 (180deg=-3.26!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.165 F(o=-0.69,f=-0.16) USER MOD Single : A 44 SER OG : rot 160:sc= 0.634 USER MOD Single : A 46 SER OG : rot 106:sc= -0.125 USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.18 (180deg=-0.951) USER MOD Single : A 49 TYR OH : rot -134:sc= 0.46 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.85 F(o=-3.1!,f=-1.8) USER MOD Single : A 63 GLN :FLIP amide:sc= -3.02! C(o=-4!,f=-3!) USER MOD Single : A 67 SER OG : rot 95:sc= 1.06 USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= -1.26 (180deg=-2.22) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.799 USER MOD Single : A 76 THR OG1 : rot -61:sc= -1.69! USER MOD Single : A 78 GLN : amide:sc= -2.57! C(o=-2.6!,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0.197 (180deg=-0.455) USER MOD Single : A 85 LYS NZ :NH3+ -142:sc= -3.14! (180deg=-5.91!) USER MOD Single : A 90 SER OG : rot 126:sc= 1.29 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.04! C(o=-3.6!,f=-2!) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -0.444 (180deg=-0.862) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 86:sc= 0.579 USER MOD Single : A 102 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1) USER MOD Single : B 1 PHE N :NH3+ -141:sc= 0.785 (180deg=0.157) USER MOD Single : B 5 TYR OH : rot -4:sc= -3.61! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.577 -1.886 8.230 1.00 0.73 N ATOM 2 CA MET A 1 -6.409 -2.117 9.126 1.00 0.31 C ATOM 3 C MET A 1 -5.119 -2.043 8.308 1.00 0.24 C ATOM 4 O MET A 1 -5.104 -2.324 7.126 1.00 0.21 O ATOM 5 CB MET A 1 -6.530 -3.502 9.778 1.00 0.70 C ATOM 6 CG MET A 1 -7.079 -4.505 8.759 1.00 1.55 C ATOM 7 SD MET A 1 -6.792 -6.191 9.357 1.00 2.25 S ATOM 8 CE MET A 1 -5.158 -6.434 8.616 1.00 2.89 C ATOM 0 H1 MET A 1 -8.438 -2.259 8.679 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.689 -0.866 8.061 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.421 -2.372 7.324 1.00 0.73 H new ATOM 0 HA MET A 1 -6.388 -1.354 9.904 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.556 -3.831 10.139 1.00 0.70 H new ATOM 0 HB3 MET A 1 -7.190 -3.451 10.644 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.145 -4.338 8.607 1.00 1.55 H new ATOM 0 HG3 MET A 1 -6.593 -4.362 7.794 1.00 1.55 H new ATOM 0 HE1 MET A 1 -4.790 -7.429 8.866 1.00 2.89 H new ATOM 0 HE2 MET A 1 -5.231 -6.335 7.533 1.00 2.89 H new ATOM 0 HE3 MET A 1 -4.468 -5.684 9.003 1.00 2.89 H new ATOM 20 N VAL A 2 -4.033 -1.668 8.932 1.00 0.24 N ATOM 21 CA VAL A 2 -2.733 -1.574 8.202 1.00 0.19 C ATOM 22 C VAL A 2 -1.957 -2.882 8.382 1.00 0.22 C ATOM 23 O VAL A 2 -2.268 -3.687 9.238 1.00 0.28 O ATOM 24 CB VAL A 2 -1.917 -0.408 8.772 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.582 -0.290 8.026 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.708 0.894 8.610 1.00 0.30 C ATOM 0 H VAL A 2 -3.990 -1.422 9.921 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.916 -1.404 7.141 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.722 -0.590 9.829 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.008 0.541 8.437 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.017 -1.215 8.143 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.771 -0.112 6.967 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.129 1.724 9.015 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.905 1.071 7.553 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.653 0.815 9.147 1.00 0.30 H new ATOM 36 N LYS A 3 -0.944 -3.100 7.586 1.00 0.18 N ATOM 37 CA LYS A 3 -0.142 -4.354 7.713 1.00 0.22 C ATOM 38 C LYS A 3 1.262 -4.109 7.163 1.00 0.16 C ATOM 39 O LYS A 3 1.435 -3.700 6.032 1.00 0.13 O ATOM 40 CB LYS A 3 -0.808 -5.482 6.921 1.00 0.26 C ATOM 41 CG LYS A 3 -0.065 -6.797 7.172 1.00 0.34 C ATOM 42 CD LYS A 3 -0.904 -7.969 6.657 1.00 0.81 C ATOM 43 CE LYS A 3 -0.143 -9.277 6.877 1.00 1.37 C ATOM 44 NZ LYS A 3 0.110 -9.462 8.334 1.00 1.97 N ATOM 0 H LYS A 3 -0.636 -2.463 6.851 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.084 -4.641 8.763 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.852 -5.581 7.218 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.800 -5.246 5.857 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.902 -6.781 6.670 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.131 -6.918 8.237 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.861 -8.001 7.177 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.121 -7.836 5.597 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.719 -10.116 6.487 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.801 -9.258 6.332 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.309 -10.464 8.527 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.927 -8.885 8.621 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.729 -9.166 8.872 1.00 1.97 H new ATOM 58 N GLN A 4 2.266 -4.344 7.961 1.00 0.18 N ATOM 59 CA GLN A 4 3.666 -4.115 7.499 1.00 0.15 C ATOM 60 C GLN A 4 4.228 -5.395 6.879 1.00 0.13 C ATOM 61 O GLN A 4 4.087 -6.475 7.418 1.00 0.14 O ATOM 62 CB GLN A 4 4.525 -3.703 8.701 1.00 0.20 C ATOM 63 CG GLN A 4 6.016 -3.738 8.327 1.00 0.21 C ATOM 64 CD GLN A 4 6.823 -2.941 9.354 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.379 -2.734 10.466 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.000 -2.482 9.026 1.00 0.98 N ATOM 0 H GLN A 4 2.178 -4.686 8.918 1.00 0.18 H new ATOM 0 HA GLN A 4 3.678 -3.326 6.747 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.248 -2.701 9.028 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.337 -4.375 9.539 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.369 -4.769 8.294 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.161 -3.319 7.331 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.373 -2.656 8.093 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.547 -1.950 9.703 1.00 0.98 H new ATOM 75 N ILE A 5 4.889 -5.268 5.757 1.00 0.10 N ATOM 76 CA ILE A 5 5.504 -6.454 5.086 1.00 0.10 C ATOM 77 C ILE A 5 7.021 -6.342 5.247 1.00 0.10 C ATOM 78 O ILE A 5 7.645 -5.466 4.681 1.00 0.11 O ATOM 79 CB ILE A 5 5.156 -6.444 3.593 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.688 -6.023 3.378 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.407 -7.828 2.990 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.716 -6.980 4.086 1.00 0.19 C ATOM 0 H ILE A 5 5.031 -4.382 5.271 1.00 0.10 H new ATOM 0 HA ILE A 5 5.130 -7.377 5.530 1.00 0.10 H new ATOM 0 HB ILE A 5 5.795 -5.717 3.091 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.541 -5.010 3.753 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.467 -6.003 2.311 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.158 -7.813 1.929 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.457 -8.093 3.112 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.785 -8.565 3.499 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.691 -6.652 3.912 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.846 -7.988 3.692 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.921 -6.980 5.157 1.00 0.19 H new ATOM 94 N GLU A 6 7.616 -7.201 6.026 1.00 0.11 N ATOM 95 CA GLU A 6 9.092 -7.123 6.243 1.00 0.14 C ATOM 96 C GLU A 6 9.801 -8.153 5.359 1.00 0.14 C ATOM 97 O GLU A 6 11.006 -8.127 5.206 1.00 0.17 O ATOM 98 CB GLU A 6 9.390 -7.417 7.717 1.00 0.18 C ATOM 99 CG GLU A 6 8.405 -6.653 8.607 1.00 0.31 C ATOM 100 CD GLU A 6 8.650 -7.016 10.073 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.788 -7.289 10.413 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.693 -7.015 10.829 1.00 1.97 O ATOM 0 H GLU A 6 7.145 -7.956 6.524 1.00 0.11 H new ATOM 0 HA GLU A 6 9.451 -6.127 5.983 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.311 -8.487 7.907 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.413 -7.125 7.956 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.526 -5.579 8.463 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.381 -6.899 8.327 1.00 0.31 H new ATOM 109 N SER A 7 9.064 -9.058 4.771 1.00 0.13 N ATOM 110 CA SER A 7 9.698 -10.084 3.892 1.00 0.15 C ATOM 111 C SER A 7 8.685 -10.570 2.854 1.00 0.14 C ATOM 112 O SER A 7 7.488 -10.485 3.053 1.00 0.12 O ATOM 113 CB SER A 7 10.170 -11.261 4.741 1.00 0.20 C ATOM 114 OG SER A 7 9.107 -11.698 5.579 1.00 0.23 O ATOM 0 H SER A 7 8.051 -9.131 4.861 1.00 0.13 H new ATOM 0 HA SER A 7 10.553 -9.643 3.379 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.500 -12.077 4.099 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.027 -10.966 5.347 1.00 0.20 H new ATOM 0 HG SER A 7 9.409 -12.455 6.123 1.00 0.23 H new ATOM 120 N LYS A 8 9.156 -11.081 1.749 1.00 0.15 N ATOM 121 CA LYS A 8 8.225 -11.575 0.694 1.00 0.14 C ATOM 122 C LYS A 8 7.217 -12.550 1.313 1.00 0.14 C ATOM 123 O LYS A 8 6.119 -12.719 0.824 1.00 0.13 O ATOM 124 CB LYS A 8 9.031 -12.289 -0.400 1.00 0.17 C ATOM 125 CG LYS A 8 8.194 -12.385 -1.678 1.00 0.21 C ATOM 126 CD LYS A 8 8.989 -13.115 -2.763 1.00 0.22 C ATOM 127 CE LYS A 8 8.070 -13.431 -3.945 1.00 1.06 C ATOM 128 NZ LYS A 8 7.190 -12.259 -4.218 1.00 1.90 N ATOM 0 H LYS A 8 10.148 -11.178 1.531 1.00 0.15 H new ATOM 0 HA LYS A 8 7.687 -10.733 0.258 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.954 -11.745 -0.599 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.315 -13.286 -0.064 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.264 -12.916 -1.476 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.923 -11.387 -2.022 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.825 -12.498 -3.093 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.412 -14.036 -2.361 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.664 -13.667 -4.828 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.465 -14.310 -3.724 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.589 -12.461 -5.042 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.590 -12.075 -3.389 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 7.776 -11.423 -4.413 1.00 1.90 H new ATOM 142 N THR A 9 7.584 -13.194 2.384 1.00 0.16 N ATOM 143 CA THR A 9 6.651 -14.157 3.032 1.00 0.18 C ATOM 144 C THR A 9 5.376 -13.426 3.464 1.00 0.16 C ATOM 145 O THR A 9 4.276 -13.882 3.227 1.00 0.17 O ATOM 146 CB THR A 9 7.330 -14.770 4.253 1.00 0.21 C ATOM 147 OG1 THR A 9 8.534 -15.410 3.852 1.00 0.24 O ATOM 148 CG2 THR A 9 6.401 -15.792 4.910 1.00 0.25 C ATOM 0 H THR A 9 8.491 -13.095 2.840 1.00 0.16 H new ATOM 0 HA THR A 9 6.390 -14.945 2.326 1.00 0.18 H new ATOM 0 HB THR A 9 7.556 -13.982 4.971 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.972 -15.803 4.636 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.894 -16.225 5.781 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.480 -15.299 5.222 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.166 -16.582 4.196 1.00 0.25 H new ATOM 156 N ALA A 10 5.520 -12.296 4.097 1.00 0.16 N ATOM 157 CA ALA A 10 4.324 -11.532 4.553 1.00 0.17 C ATOM 158 C ALA A 10 3.587 -10.948 3.342 1.00 0.15 C ATOM 159 O ALA A 10 2.403 -10.685 3.396 1.00 0.17 O ATOM 160 CB ALA A 10 4.771 -10.399 5.482 1.00 0.20 C ATOM 0 H ALA A 10 6.418 -11.866 4.319 1.00 0.16 H new ATOM 0 HA ALA A 10 3.650 -12.200 5.090 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.899 -9.838 5.817 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.287 -10.819 6.346 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.446 -9.733 4.945 1.00 0.20 H new ATOM 166 N PHE A 11 4.274 -10.735 2.253 1.00 0.12 N ATOM 167 CA PHE A 11 3.605 -10.158 1.052 1.00 0.11 C ATOM 168 C PHE A 11 2.448 -11.057 0.610 1.00 0.13 C ATOM 169 O PHE A 11 1.299 -10.674 0.672 1.00 0.16 O ATOM 170 CB PHE A 11 4.615 -10.028 -0.094 1.00 0.10 C ATOM 171 CG PHE A 11 3.912 -9.513 -1.330 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.452 -8.185 -1.371 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.715 -10.360 -2.439 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.794 -7.703 -2.517 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.059 -9.878 -3.584 1.00 0.18 C ATOM 176 CZ PHE A 11 2.598 -8.549 -3.623 1.00 0.21 C ATOM 0 H PHE A 11 5.268 -10.935 2.143 1.00 0.12 H new ATOM 0 HA PHE A 11 3.216 -9.173 1.308 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.418 -9.348 0.190 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.074 -10.995 -0.300 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.604 -7.535 -0.522 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.068 -11.380 -2.409 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.439 -6.683 -2.547 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.909 -10.527 -4.434 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.093 -8.179 -4.503 1.00 0.21 H new ATOM 186 N GLN A 12 2.741 -12.243 0.151 1.00 0.15 N ATOM 187 CA GLN A 12 1.652 -13.151 -0.310 1.00 0.19 C ATOM 188 C GLN A 12 0.645 -13.362 0.822 1.00 0.17 C ATOM 189 O GLN A 12 -0.552 -13.330 0.613 1.00 0.16 O ATOM 190 CB GLN A 12 2.249 -14.500 -0.721 1.00 0.24 C ATOM 191 CG GLN A 12 3.302 -14.284 -1.811 1.00 1.21 C ATOM 192 CD GLN A 12 3.746 -15.639 -2.370 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.123 -16.172 -3.267 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.804 -16.220 -1.875 1.00 2.47 N ATOM 0 H GLN A 12 3.685 -12.622 0.075 1.00 0.15 H new ATOM 0 HA GLN A 12 1.146 -12.702 -1.165 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.700 -14.988 0.143 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.463 -15.161 -1.086 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.892 -13.666 -2.610 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.159 -13.749 -1.402 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.327 -15.772 -1.122 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.109 -17.122 -2.241 1.00 2.47 H new ATOM 203 N GLU A 13 1.117 -13.577 2.017 1.00 0.19 N ATOM 204 CA GLU A 13 0.186 -13.791 3.158 1.00 0.20 C ATOM 205 C GLU A 13 -0.728 -12.571 3.313 1.00 0.18 C ATOM 206 O GLU A 13 -1.888 -12.698 3.653 1.00 0.19 O ATOM 207 CB GLU A 13 1.000 -13.999 4.441 1.00 0.25 C ATOM 208 CG GLU A 13 1.520 -15.439 4.499 1.00 0.30 C ATOM 209 CD GLU A 13 2.476 -15.591 5.683 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.260 -14.926 6.682 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.407 -16.371 5.570 1.00 2.03 O ATOM 0 H GLU A 13 2.109 -13.614 2.253 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.427 -14.672 2.971 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.836 -13.300 4.470 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.380 -13.791 5.313 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.686 -16.134 4.600 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.033 -15.689 3.570 1.00 0.30 H new ATOM 218 N ALA A 14 -0.222 -11.394 3.069 1.00 0.18 N ATOM 219 CA ALA A 14 -1.075 -10.179 3.204 1.00 0.18 C ATOM 220 C ALA A 14 -2.254 -10.281 2.228 1.00 0.18 C ATOM 221 O ALA A 14 -3.393 -10.058 2.584 1.00 0.19 O ATOM 222 CB ALA A 14 -0.244 -8.935 2.880 1.00 0.20 C ATOM 0 H ALA A 14 0.742 -11.221 2.783 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.452 -10.104 4.224 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.867 -8.046 2.978 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.596 -8.868 3.572 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.131 -9.004 1.859 1.00 0.20 H new ATOM 228 N LEU A 15 -1.978 -10.620 0.999 1.00 0.17 N ATOM 229 CA LEU A 15 -3.066 -10.744 -0.016 1.00 0.18 C ATOM 230 C LEU A 15 -4.016 -11.879 0.383 1.00 0.18 C ATOM 231 O LEU A 15 -5.221 -11.755 0.288 1.00 0.18 O ATOM 232 CB LEU A 15 -2.446 -11.046 -1.390 1.00 0.19 C ATOM 233 CG LEU A 15 -1.171 -10.217 -1.586 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.663 -10.398 -3.020 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.464 -8.732 -1.334 1.00 0.62 C ATOM 0 H LEU A 15 -1.040 -10.818 0.651 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.626 -9.810 -0.067 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.214 -12.108 -1.467 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.162 -10.818 -2.179 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.413 -10.556 -0.880 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.243 -9.810 -3.162 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.444 -11.451 -3.198 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.427 -10.063 -3.722 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.552 -8.152 -1.476 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.226 -8.388 -2.034 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.823 -8.600 -0.313 1.00 0.62 H new ATOM 247 N ASP A 16 -3.484 -12.988 0.817 1.00 0.19 N ATOM 248 CA ASP A 16 -4.357 -14.132 1.209 1.00 0.21 C ATOM 249 C ASP A 16 -5.206 -13.750 2.425 1.00 0.20 C ATOM 250 O ASP A 16 -6.384 -14.038 2.485 1.00 0.20 O ATOM 251 CB ASP A 16 -3.485 -15.341 1.558 1.00 0.24 C ATOM 252 CG ASP A 16 -4.376 -16.509 1.987 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.479 -16.607 1.476 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.939 -17.287 2.821 1.00 1.09 O ATOM 0 H ASP A 16 -2.482 -13.152 0.917 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.015 -14.381 0.377 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.882 -15.628 0.697 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.793 -15.084 2.360 1.00 0.24 H new ATOM 259 N ALA A 17 -4.617 -13.113 3.400 1.00 0.22 N ATOM 260 CA ALA A 17 -5.394 -12.724 4.613 1.00 0.24 C ATOM 261 C ALA A 17 -6.218 -11.467 4.319 1.00 0.21 C ATOM 262 O ALA A 17 -7.107 -11.110 5.067 1.00 0.22 O ATOM 263 CB ALA A 17 -4.429 -12.442 5.767 1.00 0.30 C ATOM 0 H ALA A 17 -3.633 -12.845 3.410 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.065 -13.538 4.887 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.995 -12.158 6.654 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.846 -13.338 5.981 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.758 -11.629 5.489 1.00 0.30 H new ATOM 269 N ALA A 18 -5.933 -10.794 3.239 1.00 0.21 N ATOM 270 CA ALA A 18 -6.705 -9.562 2.904 1.00 0.22 C ATOM 271 C ALA A 18 -8.140 -9.943 2.531 1.00 0.21 C ATOM 272 O ALA A 18 -8.983 -9.094 2.329 1.00 0.24 O ATOM 273 CB ALA A 18 -6.037 -8.847 1.726 1.00 0.23 C ATOM 0 H ALA A 18 -5.200 -11.042 2.574 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.723 -8.897 3.767 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.600 -7.947 1.480 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.017 -8.574 1.997 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.018 -9.510 0.861 1.00 0.23 H new ATOM 279 N GLY A 19 -8.426 -11.214 2.440 1.00 0.22 N ATOM 280 CA GLY A 19 -9.807 -11.644 2.080 1.00 0.24 C ATOM 281 C GLY A 19 -10.082 -11.299 0.616 1.00 0.20 C ATOM 282 O GLY A 19 -9.445 -11.812 -0.281 1.00 0.28 O ATOM 0 H GLY A 19 -7.763 -11.973 2.599 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.919 -12.716 2.239 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.533 -11.149 2.724 1.00 0.24 H new ATOM 286 N ASP A 20 -11.031 -10.433 0.364 1.00 0.13 N ATOM 287 CA ASP A 20 -11.352 -10.051 -1.046 1.00 0.18 C ATOM 288 C ASP A 20 -11.541 -8.536 -1.131 1.00 0.15 C ATOM 289 O ASP A 20 -11.888 -8.003 -2.167 1.00 0.22 O ATOM 290 CB ASP A 20 -12.639 -10.754 -1.482 1.00 0.26 C ATOM 291 CG ASP A 20 -12.410 -12.267 -1.508 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.534 -12.883 -0.462 1.00 2.19 O ATOM 293 OD2 ASP A 20 -12.114 -12.784 -2.574 1.00 2.21 O ATOM 0 H ASP A 20 -11.599 -9.973 1.075 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.535 -10.351 -1.702 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.450 -10.510 -0.796 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.941 -10.404 -2.469 1.00 0.26 H new ATOM 298 N LYS A 21 -11.300 -7.835 -0.057 1.00 0.12 N ATOM 299 CA LYS A 21 -11.453 -6.354 -0.084 1.00 0.19 C ATOM 300 C LYS A 21 -10.326 -5.753 -0.924 1.00 0.15 C ATOM 301 O LYS A 21 -9.377 -6.422 -1.278 1.00 0.15 O ATOM 302 CB LYS A 21 -11.363 -5.816 1.347 1.00 0.27 C ATOM 303 CG LYS A 21 -12.691 -6.052 2.074 1.00 0.29 C ATOM 304 CD LYS A 21 -12.488 -5.866 3.584 1.00 0.30 C ATOM 305 CE LYS A 21 -13.839 -5.627 4.259 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.634 -5.421 5.721 1.00 1.90 N ATOM 0 H LYS A 21 -11.004 -8.225 0.838 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.417 -6.086 -0.516 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.552 -6.311 1.881 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.131 -4.751 1.331 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.446 -5.356 1.709 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.058 -7.057 1.867 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.010 -6.749 4.008 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.823 -5.023 3.770 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.326 -4.755 3.823 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.498 -6.479 4.090 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.537 -5.158 6.165 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.281 -6.300 6.149 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.941 -4.660 5.871 1.00 1.90 H new ATOM 320 N LEU A 22 -10.417 -4.494 -1.243 1.00 0.13 N ATOM 321 CA LEU A 22 -9.343 -3.864 -2.050 1.00 0.11 C ATOM 322 C LEU A 22 -8.039 -3.909 -1.243 1.00 0.10 C ATOM 323 O LEU A 22 -8.061 -4.070 -0.039 1.00 0.11 O ATOM 324 CB LEU A 22 -9.730 -2.405 -2.350 1.00 0.12 C ATOM 325 CG LEU A 22 -9.443 -2.036 -3.815 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.749 -0.536 -4.032 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.972 -2.326 -4.157 1.00 0.11 C ATOM 0 H LEU A 22 -11.186 -3.877 -0.980 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.208 -4.396 -2.992 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.789 -2.257 -2.137 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.176 -1.737 -1.690 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.077 -2.636 -4.468 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.547 -0.270 -5.069 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.797 -0.342 -3.805 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.119 0.063 -3.374 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.781 -2.061 -5.197 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.324 -1.737 -3.507 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.766 -3.386 -4.009 1.00 0.11 H new ATOM 339 N VAL A 23 -6.909 -3.766 -1.884 1.00 0.08 N ATOM 340 CA VAL A 23 -5.614 -3.804 -1.138 1.00 0.09 C ATOM 341 C VAL A 23 -4.631 -2.816 -1.765 1.00 0.08 C ATOM 342 O VAL A 23 -4.091 -3.060 -2.821 1.00 0.09 O ATOM 343 CB VAL A 23 -5.027 -5.216 -1.218 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.848 -5.336 -0.253 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.101 -6.243 -0.846 1.00 0.10 C ATOM 0 H VAL A 23 -6.825 -3.625 -2.891 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.788 -3.533 -0.097 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.683 -5.406 -2.235 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.431 -6.342 -0.311 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.082 -4.609 -0.523 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.189 -5.143 0.764 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.680 -7.247 -0.904 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.449 -6.054 0.169 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.939 -6.160 -1.538 1.00 0.10 H new ATOM 355 N VAL A 24 -4.381 -1.707 -1.111 1.00 0.08 N ATOM 356 CA VAL A 24 -3.415 -0.703 -1.654 1.00 0.08 C ATOM 357 C VAL A 24 -2.101 -0.822 -0.884 1.00 0.08 C ATOM 358 O VAL A 24 -2.089 -0.894 0.328 1.00 0.08 O ATOM 359 CB VAL A 24 -3.992 0.707 -1.495 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.234 1.679 -2.407 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.477 0.699 -1.868 1.00 0.09 C ATOM 0 H VAL A 24 -4.807 -1.454 -0.220 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.238 -0.890 -2.713 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.883 1.028 -0.459 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.646 2.682 -2.293 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.179 1.687 -2.133 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.338 1.360 -3.444 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.886 1.703 -1.754 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.590 0.376 -2.903 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.013 0.012 -1.213 1.00 0.09 H new ATOM 371 N VAL A 25 -0.997 -0.860 -1.582 1.00 0.09 N ATOM 372 CA VAL A 25 0.329 -0.994 -0.902 1.00 0.09 C ATOM 373 C VAL A 25 1.099 0.316 -1.014 1.00 0.10 C ATOM 374 O VAL A 25 1.113 0.950 -2.046 1.00 0.17 O ATOM 375 CB VAL A 25 1.136 -2.104 -1.584 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.293 -2.536 -0.677 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.223 -3.299 -1.864 1.00 0.09 C ATOM 0 H VAL A 25 -0.955 -0.804 -2.600 1.00 0.09 H new ATOM 0 HA VAL A 25 0.172 -1.237 0.149 1.00 0.09 H new ATOM 0 HB VAL A 25 1.542 -1.731 -2.524 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.864 -3.325 -1.166 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.944 -1.683 -0.486 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.896 -2.908 0.267 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.796 -4.089 -2.349 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.186 -3.672 -0.925 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.592 -2.989 -2.518 1.00 0.09 H new ATOM 387 N ASP A 26 1.756 0.711 0.041 1.00 0.08 N ATOM 388 CA ASP A 26 2.552 1.972 0.016 1.00 0.08 C ATOM 389 C ASP A 26 4.040 1.621 0.018 1.00 0.08 C ATOM 390 O ASP A 26 4.605 1.282 1.039 1.00 0.09 O ATOM 391 CB ASP A 26 2.216 2.810 1.252 1.00 0.09 C ATOM 392 CG ASP A 26 3.142 4.027 1.319 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.023 4.885 0.457 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.955 4.080 2.225 1.00 0.96 O ATOM 0 H ASP A 26 1.776 0.209 0.929 1.00 0.08 H new ATOM 0 HA ASP A 26 2.313 2.545 -0.880 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.176 3.134 1.211 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.327 2.207 2.153 1.00 0.09 H new ATOM 399 N PHE A 27 4.684 1.707 -1.113 1.00 0.08 N ATOM 400 CA PHE A 27 6.139 1.392 -1.170 1.00 0.09 C ATOM 401 C PHE A 27 6.906 2.668 -0.840 1.00 0.11 C ATOM 402 O PHE A 27 7.421 3.336 -1.715 1.00 0.13 O ATOM 403 CB PHE A 27 6.505 0.937 -2.584 1.00 0.10 C ATOM 404 CG PHE A 27 6.131 -0.514 -2.788 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.810 -0.868 -3.117 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.113 -1.512 -2.662 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.473 -2.220 -3.320 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.777 -2.862 -2.866 1.00 0.21 C ATOM 409 CZ PHE A 27 5.457 -3.216 -3.194 1.00 0.23 C ATOM 0 H PHE A 27 4.265 1.982 -2.001 1.00 0.08 H new ATOM 0 HA PHE A 27 6.386 0.600 -0.463 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.990 1.558 -3.317 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.574 1.070 -2.750 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.054 -0.103 -3.214 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.127 -1.241 -2.408 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.459 -2.492 -3.572 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.533 -3.627 -2.771 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.199 -4.253 -3.349 1.00 0.23 H new ATOM 419 N SER A 28 6.968 3.016 0.418 1.00 0.11 N ATOM 420 CA SER A 28 7.684 4.259 0.834 1.00 0.12 C ATOM 421 C SER A 28 8.920 3.889 1.648 1.00 0.10 C ATOM 422 O SER A 28 8.943 2.893 2.343 1.00 0.11 O ATOM 423 CB SER A 28 6.751 5.111 1.697 1.00 0.17 C ATOM 424 OG SER A 28 5.610 5.478 0.934 1.00 1.03 O ATOM 0 H SER A 28 6.549 2.487 1.183 1.00 0.11 H new ATOM 0 HA SER A 28 7.985 4.819 -0.051 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.446 4.554 2.583 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.272 6.003 2.045 1.00 0.17 H new ATOM 0 HG SER A 28 5.017 6.036 1.480 1.00 1.03 H new ATOM 430 N ALA A 29 9.946 4.692 1.579 1.00 0.10 N ATOM 431 CA ALA A 29 11.179 4.401 2.363 1.00 0.15 C ATOM 432 C ALA A 29 11.064 5.091 3.726 1.00 0.18 C ATOM 433 O ALA A 29 10.821 6.277 3.815 1.00 0.26 O ATOM 434 CB ALA A 29 12.396 4.929 1.597 1.00 0.19 C ATOM 0 H ALA A 29 9.983 5.539 1.012 1.00 0.10 H new ATOM 0 HA ALA A 29 11.296 3.327 2.511 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.302 4.720 2.165 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.455 4.439 0.625 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.298 6.005 1.455 1.00 0.19 H new ATOM 440 N THR A 30 11.218 4.349 4.788 1.00 0.18 N ATOM 441 CA THR A 30 11.098 4.951 6.147 1.00 0.23 C ATOM 442 C THR A 30 12.226 5.959 6.385 1.00 0.26 C ATOM 443 O THR A 30 12.111 6.846 7.207 1.00 0.31 O ATOM 444 CB THR A 30 11.173 3.842 7.201 1.00 0.26 C ATOM 445 OG1 THR A 30 11.099 4.419 8.497 1.00 0.32 O ATOM 446 CG2 THR A 30 12.492 3.074 7.060 1.00 0.28 C ATOM 0 H THR A 30 11.422 3.350 4.774 1.00 0.18 H new ATOM 0 HA THR A 30 10.142 5.469 6.222 1.00 0.23 H new ATOM 0 HB THR A 30 10.341 3.153 7.056 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.145 3.711 9.173 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.537 2.287 7.813 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.550 2.629 6.067 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.328 3.759 7.200 1.00 0.28 H new ATOM 454 N TRP A 31 13.317 5.831 5.681 1.00 0.26 N ATOM 455 CA TRP A 31 14.453 6.780 5.881 1.00 0.32 C ATOM 456 C TRP A 31 14.305 7.980 4.941 1.00 0.32 C ATOM 457 O TRP A 31 14.985 8.974 5.084 1.00 0.36 O ATOM 458 CB TRP A 31 15.771 6.056 5.584 1.00 0.34 C ATOM 459 CG TRP A 31 15.892 5.798 4.117 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.529 4.654 3.495 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.399 6.686 3.082 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.788 4.780 2.141 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.320 6.015 1.834 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.915 8.000 3.103 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.741 6.627 0.646 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.339 8.620 1.912 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.250 7.935 0.685 1.00 0.40 C ATOM 0 H TRP A 31 13.473 5.111 4.976 1.00 0.26 H new ATOM 0 HA TRP A 31 14.450 7.135 6.912 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.612 6.659 5.926 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.810 5.114 6.132 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.106 3.784 3.976 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.607 4.048 1.454 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.985 8.534 4.039 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.675 6.097 -0.293 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.734 9.625 1.940 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.573 8.416 -0.226 1.00 0.40 H new ATOM 478 N CYS A 32 13.430 7.891 3.975 1.00 0.28 N ATOM 479 CA CYS A 32 13.250 9.022 3.012 1.00 0.30 C ATOM 480 C CYS A 32 12.074 9.895 3.463 1.00 0.31 C ATOM 481 O CYS A 32 10.993 9.414 3.736 1.00 0.29 O ATOM 482 CB CYS A 32 12.993 8.441 1.616 1.00 0.28 C ATOM 483 SG CYS A 32 13.592 9.590 0.350 1.00 0.32 S ATOM 0 H CYS A 32 12.830 7.083 3.809 1.00 0.28 H new ATOM 0 HA CYS A 32 14.145 9.643 2.982 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.496 7.480 1.514 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.927 8.259 1.479 1.00 0.28 H new ATOM 488 N GLY A 33 12.293 11.178 3.556 1.00 0.34 N ATOM 489 CA GLY A 33 11.214 12.104 4.004 1.00 0.36 C ATOM 490 C GLY A 33 10.102 12.216 2.950 1.00 0.35 C ATOM 491 O GLY A 33 8.952 12.000 3.263 1.00 0.33 O ATOM 0 H GLY A 33 13.182 11.629 3.339 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.793 11.747 4.944 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.635 13.090 4.198 1.00 0.36 H new ATOM 495 N PRO A 34 10.463 12.581 1.741 1.00 0.37 N ATOM 496 CA PRO A 34 9.479 12.760 0.653 1.00 0.38 C ATOM 497 C PRO A 34 8.546 11.550 0.549 1.00 0.35 C ATOM 498 O PRO A 34 7.391 11.677 0.194 1.00 0.36 O ATOM 499 CB PRO A 34 10.339 12.929 -0.620 1.00 0.42 C ATOM 500 CG PRO A 34 11.805 13.151 -0.153 1.00 0.44 C ATOM 501 CD PRO A 34 11.866 12.829 1.353 1.00 0.40 C ATOM 0 HA PRO A 34 8.825 13.616 0.819 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.266 12.046 -1.254 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.990 13.776 -1.211 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.486 12.508 -0.710 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.115 14.180 -0.338 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.490 11.957 1.546 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.292 13.658 1.918 1.00 0.40 H new ATOM 509 N ALA A 35 9.028 10.381 0.858 1.00 0.33 N ATOM 510 CA ALA A 35 8.152 9.179 0.777 1.00 0.32 C ATOM 511 C ALA A 35 7.253 9.140 2.016 1.00 0.39 C ATOM 512 O ALA A 35 6.045 9.239 1.928 1.00 0.81 O ATOM 513 CB ALA A 35 9.027 7.923 0.722 1.00 0.36 C ATOM 0 H ALA A 35 9.986 10.205 1.162 1.00 0.33 H new ATOM 0 HA ALA A 35 7.533 9.221 -0.119 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.392 7.039 0.663 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.671 7.967 -0.156 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.642 7.868 1.620 1.00 0.36 H new ATOM 519 N LYS A 36 7.842 9.002 3.171 1.00 0.30 N ATOM 520 CA LYS A 36 7.051 8.960 4.435 1.00 0.28 C ATOM 521 C LYS A 36 6.252 10.258 4.604 1.00 0.24 C ATOM 522 O LYS A 36 5.309 10.320 5.369 1.00 0.25 O ATOM 523 CB LYS A 36 8.022 8.805 5.612 1.00 0.35 C ATOM 524 CG LYS A 36 7.271 8.956 6.942 1.00 0.38 C ATOM 525 CD LYS A 36 8.133 8.424 8.093 1.00 0.49 C ATOM 526 CE LYS A 36 9.479 9.158 8.123 1.00 1.22 C ATOM 527 NZ LYS A 36 10.141 8.920 9.438 1.00 1.92 N ATOM 0 H LYS A 36 8.851 8.915 3.295 1.00 0.30 H new ATOM 0 HA LYS A 36 6.355 8.122 4.402 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.506 7.829 5.568 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.810 9.555 5.544 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.026 10.004 7.114 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.328 8.411 6.901 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.613 8.562 9.041 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.296 7.353 7.971 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.117 8.805 7.313 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.327 10.226 7.967 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 11.054 9.417 9.462 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.533 9.277 10.202 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.298 7.900 9.568 1.00 1.92 H new ATOM 541 N MET A 37 6.633 11.298 3.919 1.00 0.23 N ATOM 542 CA MET A 37 5.913 12.595 4.067 1.00 0.24 C ATOM 543 C MET A 37 4.434 12.432 3.712 1.00 0.20 C ATOM 544 O MET A 37 3.623 13.285 4.015 1.00 0.20 O ATOM 545 CB MET A 37 6.546 13.641 3.142 1.00 0.29 C ATOM 546 CG MET A 37 5.737 14.945 3.188 1.00 1.31 C ATOM 547 SD MET A 37 6.793 16.327 2.684 1.00 2.12 S ATOM 548 CE MET A 37 5.853 17.643 3.497 1.00 3.13 C ATOM 0 H MET A 37 7.413 11.308 3.262 1.00 0.23 H new ATOM 0 HA MET A 37 5.992 12.921 5.104 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.575 13.832 3.446 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.581 13.261 2.121 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.873 14.873 2.527 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.355 15.113 4.195 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.336 18.602 3.313 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.839 17.665 3.098 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.817 17.455 4.570 1.00 3.13 H new ATOM 558 N ILE A 38 4.077 11.360 3.054 1.00 0.18 N ATOM 559 CA ILE A 38 2.649 11.159 2.654 1.00 0.15 C ATOM 560 C ILE A 38 1.961 10.171 3.603 1.00 0.16 C ATOM 561 O ILE A 38 0.823 9.799 3.400 1.00 0.16 O ATOM 562 CB ILE A 38 2.607 10.588 1.233 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.701 11.256 0.390 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.230 10.856 0.601 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.513 10.894 -1.088 1.00 0.28 C ATOM 0 H ILE A 38 4.713 10.613 2.775 1.00 0.18 H new ATOM 0 HA ILE A 38 2.130 12.117 2.699 1.00 0.15 H new ATOM 0 HB ILE A 38 2.776 9.512 1.269 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.661 12.338 0.517 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.684 10.932 0.731 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.208 10.447 -0.409 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.455 10.381 1.202 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.051 11.930 0.562 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.293 11.371 -1.682 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.576 9.813 -1.209 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.536 11.241 -1.426 1.00 0.28 H new ATOM 577 N LYS A 39 2.629 9.735 4.634 1.00 0.19 N ATOM 578 CA LYS A 39 1.977 8.761 5.547 1.00 0.22 C ATOM 579 C LYS A 39 0.714 9.341 6.221 1.00 0.20 C ATOM 580 O LYS A 39 -0.214 8.598 6.462 1.00 0.21 O ATOM 581 CB LYS A 39 2.973 8.232 6.606 1.00 0.31 C ATOM 582 CG LYS A 39 3.138 9.202 7.794 1.00 0.34 C ATOM 583 CD LYS A 39 3.713 8.478 9.007 1.00 0.45 C ATOM 584 CE LYS A 39 2.686 7.492 9.587 1.00 1.16 C ATOM 585 NZ LYS A 39 2.915 6.142 9.001 1.00 1.62 N ATOM 0 H LYS A 39 3.581 10.006 4.880 1.00 0.19 H new ATOM 0 HA LYS A 39 1.654 7.922 4.930 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.628 7.266 6.974 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.943 8.067 6.138 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.795 10.024 7.510 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.173 9.639 8.049 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.618 7.942 8.722 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.999 9.204 9.769 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.777 7.450 10.672 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.674 7.831 9.365 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.086 5.863 8.438 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.756 6.167 8.390 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.063 5.452 9.765 1.00 1.62 H new ATOM 599 N PRO A 40 0.686 10.622 6.551 1.00 0.20 N ATOM 600 CA PRO A 40 -0.491 11.180 7.240 1.00 0.21 C ATOM 601 C PRO A 40 -1.743 11.000 6.380 1.00 0.17 C ATOM 602 O PRO A 40 -2.843 11.259 6.818 1.00 0.20 O ATOM 603 CB PRO A 40 -0.165 12.667 7.456 1.00 0.24 C ATOM 604 CG PRO A 40 1.271 12.915 6.928 1.00 0.25 C ATOM 605 CD PRO A 40 1.755 11.619 6.271 1.00 0.21 C ATOM 0 HA PRO A 40 -0.696 10.679 8.186 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.881 13.296 6.928 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.234 12.924 8.513 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.278 13.734 6.209 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.935 13.201 7.744 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.901 11.751 5.199 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.711 11.299 6.686 1.00 0.21 H new ATOM 613 N PHE A 41 -1.580 10.563 5.163 1.00 0.14 N ATOM 614 CA PHE A 41 -2.755 10.360 4.265 1.00 0.14 C ATOM 615 C PHE A 41 -2.989 8.860 4.086 1.00 0.11 C ATOM 616 O PHE A 41 -3.947 8.311 4.577 1.00 0.13 O ATOM 617 CB PHE A 41 -2.460 10.986 2.899 1.00 0.15 C ATOM 618 CG PHE A 41 -2.669 12.478 2.961 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.630 13.315 3.405 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.900 13.028 2.566 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.824 14.708 3.452 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.095 14.420 2.612 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.056 15.261 3.055 1.00 0.27 C ATOM 0 H PHE A 41 -0.677 10.335 4.747 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.639 10.826 4.701 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.434 10.766 2.602 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.111 10.550 2.141 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.685 12.890 3.709 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.696 12.382 2.227 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.027 15.353 3.793 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.041 14.844 2.308 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.204 16.330 3.090 1.00 0.27 H new ATOM 633 N PHE A 42 -2.112 8.203 3.382 1.00 0.10 N ATOM 634 CA PHE A 42 -2.265 6.740 3.143 1.00 0.11 C ATOM 635 C PHE A 42 -2.584 6.014 4.454 1.00 0.11 C ATOM 636 O PHE A 42 -3.578 5.323 4.567 1.00 0.12 O ATOM 637 CB PHE A 42 -0.954 6.203 2.563 1.00 0.13 C ATOM 638 CG PHE A 42 -1.040 4.707 2.386 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.741 4.173 1.294 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.407 3.849 3.305 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.809 2.782 1.118 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.480 2.456 3.130 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.181 1.922 2.035 1.00 0.10 C ATOM 0 H PHE A 42 -1.285 8.622 2.956 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.086 6.568 2.447 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.749 6.679 1.604 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.125 6.452 3.226 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.228 4.831 0.590 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.134 4.261 4.144 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.346 2.372 0.275 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.002 1.797 3.836 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.237 0.852 1.899 1.00 0.10 H new ATOM 653 N HIS A 43 -1.746 6.156 5.440 1.00 0.14 N ATOM 654 CA HIS A 43 -1.992 5.468 6.739 1.00 0.16 C ATOM 655 C HIS A 43 -3.251 6.040 7.407 1.00 0.16 C ATOM 656 O HIS A 43 -3.950 5.347 8.118 1.00 0.18 O ATOM 657 CB HIS A 43 -0.751 5.639 7.640 1.00 0.21 C ATOM 658 CG HIS A 43 -1.133 5.575 9.093 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.651 6.524 9.940 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -1.044 4.410 9.834 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.888 5.956 11.188 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.504 4.681 11.069 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.897 6.721 5.404 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.160 4.404 6.573 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.023 4.859 7.416 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.270 6.594 7.427 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.673 3.458 9.485 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.294 6.440 12.064 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.554 3.996 11.823 1.00 0.39 H new ATOM 670 N SER A 44 -3.547 7.292 7.191 1.00 0.20 N ATOM 671 CA SER A 44 -4.763 7.884 7.821 1.00 0.25 C ATOM 672 C SER A 44 -6.018 7.180 7.287 1.00 0.20 C ATOM 673 O SER A 44 -6.926 6.866 8.032 1.00 0.21 O ATOM 674 CB SER A 44 -4.833 9.379 7.500 1.00 0.34 C ATOM 675 OG SER A 44 -4.036 10.093 8.434 1.00 0.97 O ATOM 0 H SER A 44 -3.003 7.929 6.609 1.00 0.20 H new ATOM 0 HA SER A 44 -4.710 7.750 8.901 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.479 9.563 6.486 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.866 9.725 7.545 1.00 0.34 H new ATOM 0 HG SER A 44 -3.818 10.976 8.070 1.00 0.97 H new ATOM 681 N LEU A 45 -6.084 6.944 6.004 1.00 0.18 N ATOM 682 CA LEU A 45 -7.289 6.276 5.426 1.00 0.18 C ATOM 683 C LEU A 45 -7.590 4.986 6.193 1.00 0.16 C ATOM 684 O LEU A 45 -8.669 4.438 6.097 1.00 0.23 O ATOM 685 CB LEU A 45 -7.037 5.936 3.950 1.00 0.19 C ATOM 686 CG LEU A 45 -6.615 7.188 3.167 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.504 6.841 1.681 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.652 8.307 3.352 1.00 0.50 C ATOM 0 H LEU A 45 -5.357 7.184 5.330 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.139 6.954 5.507 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.260 5.175 3.875 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.940 5.514 3.510 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.651 7.533 3.542 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.205 7.727 1.122 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.759 6.057 1.545 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.470 6.491 1.316 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.340 9.188 2.792 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.621 7.969 2.986 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.731 8.559 4.410 1.00 0.50 H new ATOM 700 N SER A 46 -6.650 4.494 6.947 1.00 0.20 N ATOM 701 CA SER A 46 -6.891 3.236 7.711 1.00 0.25 C ATOM 702 C SER A 46 -8.117 3.398 8.614 1.00 0.17 C ATOM 703 O SER A 46 -8.848 2.458 8.850 1.00 0.15 O ATOM 704 CB SER A 46 -5.667 2.919 8.571 1.00 0.36 C ATOM 705 OG SER A 46 -4.525 2.795 7.734 1.00 0.51 O ATOM 0 H SER A 46 -5.725 4.906 7.069 1.00 0.20 H new ATOM 0 HA SER A 46 -7.068 2.422 7.009 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.510 3.709 9.306 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.828 1.995 9.126 1.00 0.36 H new ATOM 0 HG SER A 46 -3.955 3.586 7.838 1.00 0.51 H new ATOM 711 N GLU A 47 -8.341 4.579 9.130 1.00 0.21 N ATOM 712 CA GLU A 47 -9.514 4.795 10.033 1.00 0.21 C ATOM 713 C GLU A 47 -10.704 5.330 9.233 1.00 0.18 C ATOM 714 O GLU A 47 -11.833 5.279 9.682 1.00 0.18 O ATOM 715 CB GLU A 47 -9.135 5.804 11.123 1.00 0.32 C ATOM 716 CG GLU A 47 -7.736 5.479 11.661 1.00 0.39 C ATOM 717 CD GLU A 47 -7.517 6.196 12.997 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.265 7.389 12.972 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.607 5.539 14.021 1.00 2.00 O ATOM 0 H GLU A 47 -7.763 5.404 8.966 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.793 3.845 10.490 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.154 6.816 10.718 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.864 5.771 11.933 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.628 4.402 11.793 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.978 5.790 10.942 1.00 0.39 H new ATOM 726 N LYS A 48 -10.471 5.844 8.054 1.00 0.18 N ATOM 727 CA LYS A 48 -11.601 6.382 7.237 1.00 0.17 C ATOM 728 C LYS A 48 -12.147 5.271 6.339 1.00 0.15 C ATOM 729 O LYS A 48 -13.283 5.315 5.908 1.00 0.18 O ATOM 730 CB LYS A 48 -11.098 7.544 6.369 1.00 0.21 C ATOM 731 CG LYS A 48 -12.294 8.348 5.836 1.00 0.26 C ATOM 732 CD LYS A 48 -11.855 9.223 4.655 1.00 1.09 C ATOM 733 CE LYS A 48 -10.805 10.240 5.113 1.00 1.51 C ATOM 734 NZ LYS A 48 -11.274 10.919 6.354 1.00 2.16 N ATOM 0 H LYS A 48 -9.550 5.915 7.621 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.392 6.740 7.896 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.444 8.191 6.954 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.506 7.160 5.538 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.087 7.670 5.521 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.705 8.973 6.629 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.445 8.598 3.862 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.717 9.742 4.237 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.855 9.739 5.298 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.630 10.976 4.328 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.847 11.865 6.415 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.310 11.008 6.331 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.993 10.358 7.184 1.00 2.16 H new ATOM 748 N TYR A 49 -11.346 4.276 6.058 1.00 0.13 N ATOM 749 CA TYR A 49 -11.808 3.150 5.189 1.00 0.13 C ATOM 750 C TYR A 49 -11.406 1.818 5.824 1.00 0.11 C ATOM 751 O TYR A 49 -10.575 1.098 5.307 1.00 0.11 O ATOM 752 CB TYR A 49 -11.167 3.281 3.801 1.00 0.15 C ATOM 753 CG TYR A 49 -11.912 4.332 3.010 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.226 4.074 2.582 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.307 5.569 2.719 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.934 5.047 1.860 1.00 0.21 C ATOM 757 CE2 TYR A 49 -12.015 6.544 1.999 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.329 6.285 1.567 1.00 0.21 C ATOM 759 OH TYR A 49 -14.026 7.243 0.862 1.00 0.24 O ATOM 0 H TYR A 49 -10.387 4.194 6.394 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.893 3.186 5.088 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.117 3.556 3.896 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.200 2.324 3.280 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.691 3.126 2.809 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.298 5.768 3.050 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.942 4.847 1.529 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.551 7.494 1.776 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.454 7.610 0.156 1.00 0.24 H new ATOM 769 N SER A 50 -12.001 1.479 6.934 1.00 0.12 N ATOM 770 CA SER A 50 -11.666 0.189 7.596 1.00 0.13 C ATOM 771 C SER A 50 -12.147 -0.964 6.713 1.00 0.13 C ATOM 772 O SER A 50 -11.931 -2.122 7.011 1.00 0.14 O ATOM 773 CB SER A 50 -12.358 0.116 8.956 1.00 0.16 C ATOM 774 OG SER A 50 -13.762 0.250 8.777 1.00 0.17 O ATOM 0 H SER A 50 -12.706 2.041 7.411 1.00 0.12 H new ATOM 0 HA SER A 50 -10.588 0.118 7.739 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.131 -0.833 9.442 1.00 0.16 H new ATOM 0 HB3 SER A 50 -11.986 0.906 9.609 1.00 0.16 H new ATOM 0 HG SER A 50 -14.209 0.202 9.648 1.00 0.17 H new ATOM 780 N ASN A 51 -12.801 -0.651 5.624 1.00 0.13 N ATOM 781 CA ASN A 51 -13.305 -1.717 4.710 1.00 0.15 C ATOM 782 C ASN A 51 -12.264 -1.969 3.619 1.00 0.13 C ATOM 783 O ASN A 51 -12.433 -2.824 2.772 1.00 0.14 O ATOM 784 CB ASN A 51 -14.618 -1.253 4.075 1.00 0.17 C ATOM 785 CG ASN A 51 -15.178 -2.359 3.176 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.728 -2.482 1.957 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -16.034 -3.116 3.587 1.00 0.32 N flip ATOM 0 H ASN A 51 -13.008 0.303 5.328 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.479 -2.638 5.267 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.340 -1.003 4.852 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.451 -0.347 3.492 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.385 -3.020 4.540 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.402 -3.848 2.980 1.00 0.32 H new ATOM 794 N VAL A 52 -11.179 -1.237 3.649 1.00 0.11 N ATOM 795 CA VAL A 52 -10.094 -1.422 2.636 1.00 0.10 C ATOM 796 C VAL A 52 -8.834 -1.886 3.363 1.00 0.10 C ATOM 797 O VAL A 52 -8.626 -1.571 4.517 1.00 0.11 O ATOM 798 CB VAL A 52 -9.822 -0.090 1.931 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.589 -0.220 1.026 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.045 0.295 1.088 1.00 0.12 C ATOM 0 H VAL A 52 -10.996 -0.510 4.341 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.392 -2.162 1.893 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.634 0.683 2.676 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.401 0.731 0.528 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.722 -0.491 1.629 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.767 -0.993 0.278 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.856 1.243 0.584 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.233 -0.480 0.345 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.916 0.396 1.735 1.00 0.12 H new ATOM 810 N ILE A 53 -8.000 -2.647 2.704 1.00 0.09 N ATOM 811 CA ILE A 53 -6.757 -3.151 3.366 1.00 0.09 C ATOM 812 C ILE A 53 -5.558 -2.314 2.906 1.00 0.09 C ATOM 813 O ILE A 53 -5.327 -2.138 1.726 1.00 0.14 O ATOM 814 CB ILE A 53 -6.540 -4.618 2.975 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.880 -5.375 2.989 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.547 -5.277 3.942 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.608 -5.201 4.332 1.00 0.17 C ATOM 0 H ILE A 53 -8.125 -2.942 1.736 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.858 -3.071 4.448 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.128 -4.658 1.967 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.514 -5.011 2.180 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.703 -6.434 2.804 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.399 -6.319 3.657 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.594 -4.750 3.900 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.942 -5.231 4.957 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.551 -5.748 4.309 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.984 -5.588 5.137 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.807 -4.143 4.504 1.00 0.17 H new ATOM 829 N PHE A 54 -4.792 -1.799 3.834 1.00 0.08 N ATOM 830 CA PHE A 54 -3.596 -0.972 3.475 1.00 0.08 C ATOM 831 C PHE A 54 -2.331 -1.703 3.914 1.00 0.08 C ATOM 832 O PHE A 54 -2.244 -2.194 5.022 1.00 0.11 O ATOM 833 CB PHE A 54 -3.671 0.368 4.201 1.00 0.08 C ATOM 834 CG PHE A 54 -4.886 1.127 3.726 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.913 1.654 2.423 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.988 1.309 4.581 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.040 2.366 1.976 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.116 2.019 4.133 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.141 2.549 2.831 1.00 0.09 C ATOM 0 H PHE A 54 -4.944 -1.917 4.836 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.576 -0.808 2.398 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.726 0.208 5.278 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.768 0.949 4.011 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.068 1.512 1.765 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.968 0.903 5.582 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.060 2.772 0.976 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.963 2.157 4.789 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.006 3.097 2.488 1.00 0.09 H new ATOM 849 N LEU A 55 -1.352 -1.788 3.051 1.00 0.08 N ATOM 850 CA LEU A 55 -0.080 -2.499 3.401 1.00 0.09 C ATOM 851 C LEU A 55 1.071 -1.489 3.399 1.00 0.09 C ATOM 852 O LEU A 55 0.908 -0.346 3.020 1.00 0.10 O ATOM 853 CB LEU A 55 0.200 -3.591 2.353 1.00 0.10 C ATOM 854 CG LEU A 55 -0.622 -4.859 2.648 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.116 -4.515 2.769 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.410 -5.872 1.510 1.00 0.12 C ATOM 0 H LEU A 55 -1.377 -1.393 2.111 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.171 -2.956 4.386 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.044 -3.218 1.359 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.263 -3.834 2.350 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.290 -5.290 3.593 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.683 -5.423 2.978 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.261 -3.802 3.581 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.465 -4.076 1.834 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.989 -6.773 1.712 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.738 -5.434 0.567 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.647 -6.128 1.443 1.00 0.12 H new ATOM 868 N GLU A 56 2.237 -1.909 3.811 1.00 0.09 N ATOM 869 CA GLU A 56 3.416 -0.994 3.831 1.00 0.09 C ATOM 870 C GLU A 56 4.654 -1.807 3.454 1.00 0.09 C ATOM 871 O GLU A 56 4.773 -2.962 3.813 1.00 0.10 O ATOM 872 CB GLU A 56 3.577 -0.398 5.235 1.00 0.09 C ATOM 873 CG GLU A 56 4.571 0.772 5.202 1.00 0.11 C ATOM 874 CD GLU A 56 4.449 1.586 6.495 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.476 2.311 6.626 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.330 1.472 7.332 1.00 1.24 O ATOM 0 H GLU A 56 2.425 -2.857 4.138 1.00 0.09 H new ATOM 0 HA GLU A 56 3.281 -0.177 3.123 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.611 -0.054 5.605 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.929 -1.165 5.926 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.588 0.396 5.092 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.371 1.408 4.340 1.00 0.11 H new ATOM 883 N VAL A 57 5.561 -1.234 2.706 1.00 0.08 N ATOM 884 CA VAL A 57 6.770 -2.002 2.277 1.00 0.08 C ATOM 885 C VAL A 57 8.013 -1.110 2.309 1.00 0.09 C ATOM 886 O VAL A 57 7.982 0.037 1.902 1.00 0.14 O ATOM 887 CB VAL A 57 6.550 -2.507 0.849 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.753 -3.348 0.411 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.280 -3.362 0.796 1.00 0.09 C ATOM 0 H VAL A 57 5.518 -0.270 2.374 1.00 0.08 H new ATOM 0 HA VAL A 57 6.923 -2.838 2.959 1.00 0.08 H new ATOM 0 HB VAL A 57 6.440 -1.655 0.178 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.595 -3.707 -0.606 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.655 -2.737 0.444 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.866 -4.199 1.083 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.125 -3.721 -0.222 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.386 -4.213 1.469 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.424 -2.761 1.103 1.00 0.09 H new ATOM 899 N ASP A 58 9.115 -1.646 2.778 1.00 0.09 N ATOM 900 CA ASP A 58 10.387 -0.866 2.829 1.00 0.09 C ATOM 901 C ASP A 58 11.243 -1.252 1.618 1.00 0.10 C ATOM 902 O ASP A 58 11.833 -2.313 1.575 1.00 0.11 O ATOM 903 CB ASP A 58 11.137 -1.202 4.127 1.00 0.11 C ATOM 904 CG ASP A 58 12.148 -0.096 4.442 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.720 0.981 4.823 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.333 -0.343 4.295 1.00 1.08 O ATOM 0 H ASP A 58 9.185 -2.601 3.131 1.00 0.09 H new ATOM 0 HA ASP A 58 10.177 0.203 2.807 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.430 -1.306 4.950 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.650 -2.158 4.024 1.00 0.11 H new ATOM 911 N VAL A 59 11.291 -0.412 0.622 1.00 0.12 N ATOM 912 CA VAL A 59 12.079 -0.737 -0.602 1.00 0.15 C ATOM 913 C VAL A 59 13.562 -0.920 -0.267 1.00 0.18 C ATOM 914 O VAL A 59 14.347 -1.298 -1.113 1.00 0.27 O ATOM 915 CB VAL A 59 11.925 0.404 -1.611 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.477 0.455 -2.107 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.279 1.736 -0.940 1.00 0.22 C ATOM 0 H VAL A 59 10.816 0.491 0.602 1.00 0.12 H new ATOM 0 HA VAL A 59 11.704 -1.670 -1.023 1.00 0.15 H new ATOM 0 HB VAL A 59 12.595 0.233 -2.454 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.367 1.267 -2.825 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.223 -0.490 -2.586 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.809 0.624 -1.263 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.169 2.547 -1.660 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.611 1.907 -0.096 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.309 1.703 -0.586 1.00 0.22 H new ATOM 927 N ASP A 60 13.960 -0.643 0.947 1.00 0.16 N ATOM 928 CA ASP A 60 15.403 -0.788 1.321 1.00 0.18 C ATOM 929 C ASP A 60 15.612 -2.044 2.170 1.00 0.17 C ATOM 930 O ASP A 60 16.560 -2.780 1.975 1.00 0.18 O ATOM 931 CB ASP A 60 15.839 0.441 2.121 1.00 0.21 C ATOM 932 CG ASP A 60 15.943 1.653 1.192 1.00 0.24 C ATOM 933 OD1 ASP A 60 17.009 1.859 0.640 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.954 2.355 1.054 1.00 1.08 O ATOM 0 H ASP A 60 13.349 -0.322 1.698 1.00 0.16 H new ATOM 0 HA ASP A 60 15.998 -0.875 0.412 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.122 0.642 2.917 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.801 0.253 2.598 1.00 0.21 H new ATOM 939 N ASP A 61 14.746 -2.295 3.116 1.00 0.17 N ATOM 940 CA ASP A 61 14.907 -3.502 3.986 1.00 0.17 C ATOM 941 C ASP A 61 14.091 -4.661 3.409 1.00 0.16 C ATOM 942 O ASP A 61 14.235 -5.792 3.829 1.00 0.18 O ATOM 943 CB ASP A 61 14.436 -3.165 5.409 1.00 0.19 C ATOM 944 CG ASP A 61 14.092 -4.446 6.176 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.020 -4.981 5.946 1.00 1.12 O ATOM 946 OD2 ASP A 61 14.911 -4.872 6.974 1.00 1.07 O ATOM 0 H ASP A 61 13.932 -1.717 3.326 1.00 0.17 H new ATOM 0 HA ASP A 61 15.955 -3.799 4.022 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.216 -2.616 5.937 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.563 -2.514 5.365 1.00 0.19 H new ATOM 951 N ALA A 62 13.248 -4.393 2.447 1.00 0.16 N ATOM 952 CA ALA A 62 12.429 -5.480 1.826 1.00 0.16 C ATOM 953 C ALA A 62 12.663 -5.467 0.316 1.00 0.16 C ATOM 954 O ALA A 62 11.744 -5.567 -0.471 1.00 0.15 O ATOM 955 CB ALA A 62 10.945 -5.243 2.126 1.00 0.17 C ATOM 0 H ALA A 62 13.089 -3.462 2.061 1.00 0.16 H new ATOM 0 HA ALA A 62 12.720 -6.447 2.236 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.351 -6.036 1.672 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.787 -5.243 3.205 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.640 -4.281 1.715 1.00 0.17 H new ATOM 961 N GLN A 63 13.898 -5.338 -0.093 1.00 0.20 N ATOM 962 CA GLN A 63 14.215 -5.309 -1.548 1.00 0.22 C ATOM 963 C GLN A 63 13.655 -6.561 -2.230 1.00 0.20 C ATOM 964 O GLN A 63 13.577 -6.634 -3.440 1.00 0.20 O ATOM 965 CB GLN A 63 15.736 -5.250 -1.740 1.00 0.29 C ATOM 966 CG GLN A 63 16.414 -6.412 -0.993 1.00 0.90 C ATOM 967 CD GLN A 63 16.270 -7.706 -1.798 1.00 1.53 C ATOM 968 OE1 GLN A 63 15.679 -8.734 -1.255 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 16.700 -7.782 -2.932 1.00 2.22 N flip ATOM 0 H GLN A 63 14.705 -5.251 0.525 1.00 0.20 H new ATOM 0 HA GLN A 63 13.759 -4.427 -1.997 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.978 -5.301 -2.802 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.119 -4.299 -1.371 1.00 0.29 H new ATOM 0 HG2 GLN A 63 17.469 -6.188 -0.835 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.963 -6.534 -0.008 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.162 -6.978 -3.357 1.00 2.22 H new ATOM 0 HE22 GLN A 63 16.599 -8.650 -3.459 1.00 2.22 H new ATOM 978 N ASP A 64 13.261 -7.545 -1.468 1.00 0.19 N ATOM 979 CA ASP A 64 12.707 -8.781 -2.084 1.00 0.20 C ATOM 980 C ASP A 64 11.338 -8.464 -2.692 1.00 0.17 C ATOM 981 O ASP A 64 11.007 -8.916 -3.770 1.00 0.19 O ATOM 982 CB ASP A 64 12.564 -9.867 -1.012 1.00 0.22 C ATOM 983 CG ASP A 64 12.037 -9.246 0.283 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.817 -8.606 0.970 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.864 -9.422 0.568 1.00 1.09 O ATOM 0 H ASP A 64 13.299 -7.545 -0.449 1.00 0.19 H new ATOM 0 HA ASP A 64 13.378 -9.140 -2.865 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.883 -10.645 -1.357 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.528 -10.344 -0.832 1.00 0.22 H new ATOM 990 N VAL A 65 10.547 -7.679 -2.014 1.00 0.15 N ATOM 991 CA VAL A 65 9.209 -7.319 -2.559 1.00 0.16 C ATOM 992 C VAL A 65 9.394 -6.304 -3.689 1.00 0.16 C ATOM 993 O VAL A 65 8.821 -6.430 -4.754 1.00 0.19 O ATOM 994 CB VAL A 65 8.357 -6.705 -1.445 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.900 -6.606 -1.905 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.440 -7.584 -0.195 1.00 0.18 C ATOM 0 H VAL A 65 10.770 -7.271 -1.106 1.00 0.15 H new ATOM 0 HA VAL A 65 8.709 -8.208 -2.943 1.00 0.16 H new ATOM 0 HB VAL A 65 8.730 -5.707 -1.214 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.296 -6.169 -1.110 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.841 -5.977 -2.793 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.524 -7.602 -2.140 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.833 -7.147 0.598 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.069 -8.582 -0.427 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.477 -7.650 0.135 1.00 0.18 H new ATOM 1006 N ALA A 66 10.204 -5.303 -3.468 1.00 0.16 N ATOM 1007 CA ALA A 66 10.444 -4.283 -4.528 1.00 0.18 C ATOM 1008 C ALA A 66 11.095 -4.958 -5.737 1.00 0.19 C ATOM 1009 O ALA A 66 10.919 -4.542 -6.865 1.00 0.20 O ATOM 1010 CB ALA A 66 11.375 -3.196 -3.985 1.00 0.22 C ATOM 0 H ALA A 66 10.711 -5.148 -2.596 1.00 0.16 H new ATOM 0 HA ALA A 66 9.498 -3.833 -4.827 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.552 -2.449 -4.759 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.913 -2.720 -3.120 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.324 -3.644 -3.689 1.00 0.22 H new ATOM 1016 N SER A 67 11.845 -6.003 -5.508 1.00 0.21 N ATOM 1017 CA SER A 67 12.507 -6.709 -6.640 1.00 0.26 C ATOM 1018 C SER A 67 11.438 -7.314 -7.555 1.00 0.26 C ATOM 1019 O SER A 67 11.385 -7.031 -8.735 1.00 0.29 O ATOM 1020 CB SER A 67 13.405 -7.821 -6.088 1.00 0.31 C ATOM 1021 OG SER A 67 14.593 -7.245 -5.557 1.00 1.29 O ATOM 0 H SER A 67 12.027 -6.397 -4.585 1.00 0.21 H new ATOM 0 HA SER A 67 13.113 -6.005 -7.210 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.879 -8.378 -5.313 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.652 -8.530 -6.878 1.00 0.31 H new ATOM 0 HG SER A 67 14.489 -7.111 -4.592 1.00 1.29 H new ATOM 1027 N GLU A 68 10.585 -8.145 -7.018 1.00 0.26 N ATOM 1028 CA GLU A 68 9.522 -8.768 -7.856 1.00 0.30 C ATOM 1029 C GLU A 68 8.580 -7.683 -8.384 1.00 0.31 C ATOM 1030 O GLU A 68 7.986 -7.821 -9.434 1.00 0.36 O ATOM 1031 CB GLU A 68 8.726 -9.768 -7.010 1.00 0.31 C ATOM 1032 CG GLU A 68 7.679 -10.463 -7.884 1.00 0.39 C ATOM 1033 CD GLU A 68 7.016 -11.591 -7.091 1.00 1.43 C ATOM 1034 OE1 GLU A 68 7.597 -12.662 -7.023 1.00 2.19 O ATOM 1035 OE2 GLU A 68 5.939 -11.365 -6.565 1.00 2.20 O ATOM 0 H GLU A 68 10.579 -8.419 -6.035 1.00 0.26 H new ATOM 0 HA GLU A 68 9.982 -9.287 -8.697 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.398 -10.507 -6.574 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.239 -9.253 -6.182 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.928 -9.744 -8.210 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.148 -10.864 -8.782 1.00 0.39 H new ATOM 1042 N ALA A 69 8.434 -6.603 -7.661 1.00 0.29 N ATOM 1043 CA ALA A 69 7.523 -5.511 -8.120 1.00 0.31 C ATOM 1044 C ALA A 69 8.297 -4.536 -9.017 1.00 0.29 C ATOM 1045 O ALA A 69 7.734 -3.618 -9.580 1.00 0.33 O ATOM 1046 CB ALA A 69 6.970 -4.769 -6.900 1.00 0.31 C ATOM 0 H ALA A 69 8.906 -6.430 -6.773 1.00 0.29 H new ATOM 0 HA ALA A 69 6.697 -5.938 -8.689 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.305 -3.971 -7.230 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.417 -5.466 -6.270 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.795 -4.341 -6.330 1.00 0.31 H new ATOM 1052 N GLU A 70 9.579 -4.735 -9.161 1.00 0.27 N ATOM 1053 CA GLU A 70 10.390 -3.833 -10.033 1.00 0.29 C ATOM 1054 C GLU A 70 10.068 -2.364 -9.732 1.00 0.25 C ATOM 1055 O GLU A 70 9.775 -1.592 -10.623 1.00 0.26 O ATOM 1056 CB GLU A 70 10.069 -4.134 -11.500 1.00 0.38 C ATOM 1057 CG GLU A 70 10.486 -5.570 -11.837 1.00 1.18 C ATOM 1058 CD GLU A 70 9.852 -5.999 -13.164 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.059 -5.237 -13.695 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.168 -7.083 -13.625 1.00 2.06 O ATOM 0 H GLU A 70 10.103 -5.486 -8.711 1.00 0.27 H new ATOM 0 HA GLU A 70 11.448 -4.006 -9.837 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.003 -4.002 -11.683 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.593 -3.432 -12.148 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.572 -5.636 -11.904 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.174 -6.245 -11.040 1.00 1.18 H new ATOM 1067 N VAL A 71 10.133 -1.967 -8.489 1.00 0.22 N ATOM 1068 CA VAL A 71 9.843 -0.543 -8.143 1.00 0.19 C ATOM 1069 C VAL A 71 11.074 0.310 -8.458 1.00 0.23 C ATOM 1070 O VAL A 71 12.182 -0.037 -8.100 1.00 0.28 O ATOM 1071 CB VAL A 71 9.510 -0.430 -6.655 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.060 0.998 -6.343 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.380 -1.405 -6.311 1.00 0.19 C ATOM 0 H VAL A 71 10.374 -2.565 -7.699 1.00 0.22 H new ATOM 0 HA VAL A 71 8.992 -0.192 -8.727 1.00 0.19 H new ATOM 0 HB VAL A 71 10.393 -0.672 -6.064 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.822 1.081 -5.283 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.861 1.694 -6.591 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.176 1.238 -6.933 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.141 -1.326 -5.250 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.497 -1.161 -6.901 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.697 -2.423 -6.536 1.00 0.19 H new ATOM 1083 N LYS A 72 10.890 1.419 -9.131 1.00 0.24 N ATOM 1084 CA LYS A 72 12.048 2.301 -9.483 1.00 0.29 C ATOM 1085 C LYS A 72 11.791 3.718 -8.965 1.00 0.26 C ATOM 1086 O LYS A 72 12.611 4.601 -9.118 1.00 0.27 O ATOM 1087 CB LYS A 72 12.214 2.339 -11.004 1.00 0.35 C ATOM 1088 CG LYS A 72 12.413 0.916 -11.532 1.00 0.43 C ATOM 1089 CD LYS A 72 12.400 0.927 -13.064 1.00 1.16 C ATOM 1090 CE LYS A 72 12.462 -0.509 -13.587 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.363 -1.308 -12.974 1.00 2.40 N ATOM 0 H LYS A 72 9.982 1.754 -9.454 1.00 0.24 H new ATOM 0 HA LYS A 72 12.955 1.907 -9.025 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.335 2.790 -11.465 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.069 2.960 -11.272 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.358 0.512 -11.170 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.624 0.265 -11.157 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.497 1.418 -13.427 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.248 1.499 -13.441 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.369 -0.516 -14.673 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.428 -0.954 -13.346 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 11.080 -2.067 -13.626 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.694 -1.725 -12.080 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 10.547 -0.690 -12.787 1.00 2.40 H new ATOM 1105 N ALA A 73 10.660 3.945 -8.351 1.00 0.22 N ATOM 1106 CA ALA A 73 10.355 5.311 -7.824 1.00 0.20 C ATOM 1107 C ALA A 73 9.425 5.196 -6.617 1.00 0.18 C ATOM 1108 O ALA A 73 8.483 4.435 -6.629 1.00 0.16 O ATOM 1109 CB ALA A 73 9.666 6.137 -8.921 1.00 0.21 C ATOM 0 H ALA A 73 9.934 3.246 -8.191 1.00 0.22 H new ATOM 0 HA ALA A 73 11.281 5.801 -7.524 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.442 7.133 -8.540 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.327 6.219 -9.784 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.739 5.646 -9.218 1.00 0.21 H new ATOM 1115 N THR A 74 9.674 5.964 -5.584 1.00 0.18 N ATOM 1116 CA THR A 74 8.797 5.923 -4.375 1.00 0.17 C ATOM 1117 C THR A 74 8.182 7.316 -4.163 1.00 0.17 C ATOM 1118 O THR A 74 8.805 8.304 -4.501 1.00 0.19 O ATOM 1119 CB THR A 74 9.638 5.559 -3.138 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.833 6.323 -3.149 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.002 4.064 -3.136 1.00 0.19 C ATOM 0 H THR A 74 10.452 6.621 -5.528 1.00 0.18 H new ATOM 0 HA THR A 74 8.014 5.178 -4.516 1.00 0.17 H new ATOM 0 HB THR A 74 9.051 5.776 -2.245 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.373 6.097 -2.363 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.596 3.835 -2.251 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.090 3.467 -3.125 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.578 3.829 -4.031 1.00 0.19 H new ATOM 1129 N PRO A 75 7.004 7.379 -3.577 1.00 0.17 N ATOM 1130 CA PRO A 75 6.216 6.197 -3.152 1.00 0.16 C ATOM 1131 C PRO A 75 5.551 5.541 -4.363 1.00 0.14 C ATOM 1132 O PRO A 75 5.172 6.206 -5.306 1.00 0.14 O ATOM 1133 CB PRO A 75 5.137 6.769 -2.216 1.00 0.17 C ATOM 1134 CG PRO A 75 5.166 8.314 -2.369 1.00 0.20 C ATOM 1135 CD PRO A 75 6.379 8.673 -3.254 1.00 0.19 C ATOM 0 HA PRO A 75 6.835 5.440 -2.671 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.154 6.375 -2.476 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.332 6.481 -1.183 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.242 8.671 -2.823 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.248 8.794 -1.394 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.068 9.199 -4.157 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.073 9.327 -2.727 1.00 0.19 H new ATOM 1143 N THR A 76 5.380 4.245 -4.327 1.00 0.13 N ATOM 1144 CA THR A 76 4.701 3.542 -5.457 1.00 0.12 C ATOM 1145 C THR A 76 3.427 2.910 -4.918 1.00 0.12 C ATOM 1146 O THR A 76 3.471 2.024 -4.088 1.00 0.18 O ATOM 1147 CB THR A 76 5.605 2.438 -6.026 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.943 2.898 -6.049 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.160 2.084 -7.450 1.00 0.13 C ATOM 0 H THR A 76 5.682 3.641 -3.562 1.00 0.13 H new ATOM 0 HA THR A 76 4.481 4.255 -6.252 1.00 0.12 H new ATOM 0 HB THR A 76 5.532 1.550 -5.398 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.007 3.690 -6.623 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.805 1.301 -7.848 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.129 1.731 -7.432 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.230 2.968 -8.083 1.00 0.13 H new ATOM 1157 N PHE A 77 2.293 3.350 -5.378 1.00 0.09 N ATOM 1158 CA PHE A 77 1.022 2.752 -4.882 1.00 0.09 C ATOM 1159 C PHE A 77 0.644 1.595 -5.789 1.00 0.09 C ATOM 1160 O PHE A 77 0.486 1.750 -6.983 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.089 3.797 -4.889 1.00 0.10 C ATOM 1162 CG PHE A 77 0.184 4.802 -3.801 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.075 4.459 -2.464 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.702 6.071 -4.119 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.184 5.388 -1.441 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.960 7.000 -3.097 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.701 6.661 -1.758 1.00 0.12 C ATOM 0 H PHE A 77 2.189 4.092 -6.070 1.00 0.09 H new ATOM 0 HA PHE A 77 1.158 2.398 -3.860 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.134 4.293 -5.858 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.056 3.321 -4.729 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.472 3.484 -2.222 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.901 6.331 -5.148 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.013 5.126 -0.412 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.357 7.974 -3.340 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.898 7.375 -0.972 1.00 0.12 H new ATOM 1177 N GLN A 78 0.509 0.429 -5.224 1.00 0.07 N ATOM 1178 CA GLN A 78 0.151 -0.770 -6.027 1.00 0.07 C ATOM 1179 C GLN A 78 -1.147 -1.339 -5.474 1.00 0.06 C ATOM 1180 O GLN A 78 -1.355 -1.385 -4.279 1.00 0.07 O ATOM 1181 CB GLN A 78 1.281 -1.794 -5.906 1.00 0.08 C ATOM 1182 CG GLN A 78 2.625 -1.093 -6.127 1.00 0.12 C ATOM 1183 CD GLN A 78 3.716 -2.132 -6.388 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.464 -3.321 -6.352 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.929 -1.729 -6.652 1.00 1.03 N ATOM 0 H GLN A 78 0.633 0.255 -4.227 1.00 0.07 H new ATOM 0 HA GLN A 78 0.016 -0.516 -7.078 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.259 -2.262 -4.922 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.147 -2.589 -6.640 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.553 -0.408 -6.972 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.882 -0.495 -5.252 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.140 -0.731 -6.682 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.666 -2.412 -6.828 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.039 -1.737 -6.339 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.355 -2.268 -5.875 1.00 0.07 C ATOM 1196 C PHE A 79 -3.442 -3.764 -6.161 1.00 0.07 C ATOM 1197 O PHE A 79 -3.189 -4.214 -7.259 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.475 -1.531 -6.615 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.437 -0.069 -6.225 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.376 0.741 -6.658 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.445 0.476 -5.413 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.319 2.096 -6.285 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.389 1.827 -5.031 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.328 2.636 -5.466 1.00 0.11 C ATOM 0 H PHE A 79 -1.914 -1.718 -7.351 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.457 -2.111 -4.801 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.349 -1.638 -7.692 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.443 -1.964 -6.363 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.599 0.322 -7.281 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.265 -0.144 -5.082 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.505 2.719 -6.625 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.163 2.243 -4.403 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.286 3.674 -5.172 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.809 -4.535 -5.168 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.931 -6.013 -5.348 1.00 0.08 C ATOM 1216 C PHE A 80 -5.329 -6.443 -4.905 1.00 0.11 C ATOM 1217 O PHE A 80 -5.982 -5.774 -4.128 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.887 -6.730 -4.482 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.515 -6.592 -5.101 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.709 -5.486 -4.782 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.041 -7.574 -5.990 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.571 -5.363 -5.351 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.241 -7.450 -6.557 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.046 -6.343 -6.237 1.00 0.14 C ATOM 0 H PHE A 80 -4.031 -4.199 -4.231 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.767 -6.271 -6.394 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.885 -6.308 -3.477 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.146 -7.784 -4.385 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.072 -4.731 -4.100 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.661 -8.423 -6.237 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.190 -4.513 -5.106 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.606 -8.205 -7.238 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.030 -6.246 -6.673 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.792 -7.555 -5.394 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.144 -8.040 -5.003 1.00 0.14 C ATOM 1236 C LYS A 81 -7.177 -9.554 -5.211 1.00 0.14 C ATOM 1237 O LYS A 81 -6.968 -10.037 -6.305 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.204 -7.351 -5.880 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.576 -7.411 -5.199 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.583 -6.590 -6.007 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.912 -6.524 -5.252 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.460 -7.900 -5.091 1.00 1.48 N ATOM 0 H LYS A 81 -5.291 -8.153 -6.051 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.357 -7.806 -3.960 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.922 -6.313 -6.055 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.252 -7.837 -6.854 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.911 -8.445 -5.123 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.507 -7.023 -4.183 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.197 -5.584 -6.174 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.732 -7.041 -6.988 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.765 -6.063 -4.275 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.621 -5.900 -5.796 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.499 -7.861 -5.084 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.141 -8.495 -5.882 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.123 -8.305 -4.195 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.417 -10.306 -4.170 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.443 -11.790 -4.307 1.00 0.20 C ATOM 1258 C LYS A 82 -6.102 -12.283 -4.867 1.00 0.20 C ATOM 1259 O LYS A 82 -6.030 -13.310 -5.511 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.580 -12.210 -5.252 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.913 -12.208 -4.497 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.074 -12.493 -5.474 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.596 -11.187 -6.092 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.617 -10.677 -7.093 1.00 1.67 N ATOM 0 H LYS A 82 -7.596 -9.955 -3.229 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.611 -12.233 -3.325 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.631 -11.527 -6.100 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.382 -13.203 -5.655 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.896 -12.962 -3.710 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.064 -11.244 -4.011 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.736 -13.165 -6.263 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.882 -13.001 -4.948 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.561 -11.359 -6.568 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.754 -10.442 -5.312 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -11.121 -10.152 -7.836 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.937 -10.045 -6.623 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.108 -11.477 -7.520 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.041 -11.568 -4.617 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.708 -12.008 -5.125 1.00 0.21 C ATOM 1280 C GLY A 83 -3.538 -11.578 -6.583 1.00 0.19 C ATOM 1281 O GLY A 83 -2.598 -11.976 -7.243 1.00 0.22 O ATOM 0 H GLY A 83 -5.037 -10.699 -4.084 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.916 -11.575 -4.514 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.618 -13.091 -5.043 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.439 -10.775 -7.092 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.329 -10.319 -8.517 1.00 0.17 C ATOM 1287 C GLN A 84 -4.114 -8.803 -8.562 1.00 0.16 C ATOM 1288 O GLN A 84 -4.645 -8.063 -7.757 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.619 -10.665 -9.263 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.895 -12.167 -9.149 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.299 -12.469 -9.676 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.481 -13.370 -10.472 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.307 -11.750 -9.263 1.00 2.08 N ATOM 0 H GLN A 84 -5.247 -10.414 -6.584 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.483 -10.820 -8.989 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.453 -10.100 -8.848 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.532 -10.380 -10.311 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.153 -12.728 -9.717 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.809 -12.486 -8.110 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.155 -10.994 -8.595 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.247 -11.944 -9.608 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.340 -8.335 -9.508 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.082 -6.867 -9.624 1.00 0.17 C ATOM 1304 C LYS A 85 -4.182 -6.230 -10.473 1.00 0.16 C ATOM 1305 O LYS A 85 -4.642 -6.809 -11.437 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.723 -6.644 -10.293 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.475 -5.140 -10.476 1.00 0.25 C ATOM 1308 CD LYS A 85 0.020 -4.880 -10.701 1.00 0.30 C ATOM 1309 CE LYS A 85 0.522 -5.698 -11.897 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.750 -7.108 -11.474 1.00 1.70 N ATOM 0 H LYS A 85 -2.873 -8.910 -10.209 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.077 -6.413 -8.633 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.931 -7.081 -9.684 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.696 -7.147 -11.260 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.049 -4.769 -11.325 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.819 -4.596 -9.596 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.190 -3.818 -10.880 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.582 -5.147 -9.806 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.207 -5.663 -12.707 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.447 -5.269 -12.282 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.599 -7.479 -11.946 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.883 -7.144 -10.443 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.073 -7.687 -11.737 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.624 -5.050 -10.112 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.715 -4.379 -10.888 1.00 0.16 C ATOM 1326 C VAL A 86 -5.312 -2.945 -11.262 1.00 0.18 C ATOM 1327 O VAL A 86 -5.907 -2.342 -12.133 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.985 -4.349 -10.035 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.541 -5.767 -9.890 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.657 -3.792 -8.646 1.00 0.17 C ATOM 0 H VAL A 86 -4.276 -4.521 -9.312 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.893 -4.937 -11.807 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.727 -3.714 -10.519 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.445 -5.743 -9.282 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.777 -6.168 -10.876 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.797 -6.402 -9.409 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.562 -3.771 -8.039 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.913 -4.427 -8.166 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.262 -2.781 -8.743 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.314 -2.388 -10.626 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.911 -0.992 -10.980 1.00 0.18 C ATOM 1342 C GLY A 87 -2.688 -0.560 -10.164 1.00 0.10 C ATOM 1343 O GLY A 87 -2.254 -1.249 -9.261 1.00 0.08 O ATOM 0 H GLY A 87 -3.767 -2.830 -9.887 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.684 -0.932 -12.044 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.740 -0.310 -10.792 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.131 0.581 -10.480 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.935 1.073 -9.734 1.00 0.10 C ATOM 1349 C GLU A 88 -0.575 2.485 -10.199 1.00 0.10 C ATOM 1350 O GLU A 88 -0.844 2.867 -11.321 1.00 0.11 O ATOM 1351 CB GLU A 88 0.250 0.139 -9.997 1.00 0.17 C ATOM 1352 CG GLU A 88 0.330 -0.175 -11.493 1.00 0.25 C ATOM 1353 CD GLU A 88 1.618 -0.945 -11.788 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.866 -1.928 -11.107 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.335 -0.542 -12.690 1.00 1.94 O ATOM 0 H GLU A 88 -2.455 1.196 -11.227 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.162 1.091 -8.668 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.176 0.606 -9.663 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.134 -0.783 -9.427 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.535 -0.764 -11.798 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.307 0.749 -12.071 1.00 0.25 H new ATOM 1362 N PHE A 89 0.056 3.253 -9.351 1.00 0.09 N ATOM 1363 CA PHE A 89 0.463 4.632 -9.750 1.00 0.09 C ATOM 1364 C PHE A 89 1.403 5.228 -8.694 1.00 0.09 C ATOM 1365 O PHE A 89 1.138 5.170 -7.514 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.778 5.527 -9.943 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.373 5.942 -8.613 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.732 6.921 -7.828 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.581 5.370 -8.169 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.292 7.321 -6.606 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.141 5.775 -6.945 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.498 6.749 -6.165 1.00 0.11 C ATOM 0 H PHE A 89 0.307 2.985 -8.399 1.00 0.09 H new ATOM 0 HA PHE A 89 0.995 4.581 -10.700 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.503 6.414 -10.513 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.527 4.992 -10.527 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.192 7.364 -8.168 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.077 4.621 -8.768 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.797 8.068 -6.004 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.067 5.336 -6.604 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.930 7.059 -5.225 1.00 0.11 H new ATOM 1382 N SER A 90 2.500 5.806 -9.111 1.00 0.13 N ATOM 1383 CA SER A 90 3.462 6.421 -8.138 1.00 0.14 C ATOM 1384 C SER A 90 3.309 7.946 -8.176 1.00 0.14 C ATOM 1385 O SER A 90 2.334 8.469 -8.679 1.00 0.17 O ATOM 1386 CB SER A 90 4.889 6.038 -8.534 1.00 0.15 C ATOM 1387 OG SER A 90 5.329 6.880 -9.591 1.00 0.16 O ATOM 0 H SER A 90 2.775 5.880 -10.090 1.00 0.13 H new ATOM 0 HA SER A 90 3.255 6.060 -7.131 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.554 6.135 -7.676 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.923 4.995 -8.847 1.00 0.15 H new ATOM 0 HG SER A 90 6.177 7.302 -9.341 1.00 0.16 H new ATOM 1393 N GLY A 91 4.265 8.663 -7.650 1.00 0.12 N ATOM 1394 CA GLY A 91 4.174 10.156 -7.654 1.00 0.13 C ATOM 1395 C GLY A 91 3.313 10.618 -6.477 1.00 0.13 C ATOM 1396 O GLY A 91 2.200 10.164 -6.295 1.00 0.13 O ATOM 0 H GLY A 91 5.106 8.282 -7.217 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.171 10.592 -7.582 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.741 10.502 -8.593 1.00 0.13 H new ATOM 1400 N ALA A 92 3.821 11.507 -5.668 1.00 0.15 N ATOM 1401 CA ALA A 92 3.030 11.981 -4.492 1.00 0.17 C ATOM 1402 C ALA A 92 1.648 12.474 -4.931 1.00 0.15 C ATOM 1403 O ALA A 92 1.473 13.623 -5.285 1.00 0.16 O ATOM 1404 CB ALA A 92 3.773 13.130 -3.803 1.00 0.20 C ATOM 0 H ALA A 92 4.746 11.926 -5.768 1.00 0.15 H new ATOM 0 HA ALA A 92 2.906 11.146 -3.802 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.195 13.475 -2.946 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.749 12.782 -3.466 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.904 13.952 -4.506 1.00 0.20 H new ATOM 1410 N ASN A 93 0.660 11.620 -4.876 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.727 12.034 -5.251 1.00 0.13 C ATOM 1412 C ASN A 93 -1.699 11.393 -4.252 1.00 0.12 C ATOM 1413 O ASN A 93 -2.404 10.454 -4.564 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.034 11.562 -6.680 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.186 12.385 -7.263 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.871 13.177 -6.483 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.472 12.298 -8.440 1.00 1.15 N flip ATOM 0 H ASN A 93 0.754 10.647 -4.586 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.829 13.119 -5.220 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.147 11.667 -7.305 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.297 10.504 -6.675 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.938 11.680 -9.050 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.247 12.843 -8.818 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.713 11.879 -3.039 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.603 11.288 -1.994 1.00 0.20 C ATOM 1426 C LYS A 94 -4.078 11.446 -2.379 1.00 0.18 C ATOM 1427 O LYS A 94 -4.896 10.607 -2.058 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.351 11.992 -0.653 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.247 13.520 -0.866 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.770 13.959 -0.931 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.225 14.163 0.487 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.245 14.394 0.423 1.00 1.19 N ATOM 0 H LYS A 94 -1.143 12.664 -2.724 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.378 10.225 -1.908 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.160 11.768 0.042 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.432 11.616 -0.203 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.756 13.800 -1.788 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.752 14.041 -0.053 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.180 13.205 -1.452 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.681 14.884 -1.501 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.718 15.013 0.959 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.441 13.288 1.101 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.713 13.865 1.187 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.608 14.069 -0.496 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.442 15.409 0.534 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.437 12.505 -3.046 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.868 12.683 -3.420 1.00 0.20 C ATOM 1448 C GLU A 95 -6.268 11.586 -4.409 1.00 0.17 C ATOM 1449 O GLU A 95 -7.420 11.208 -4.503 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.059 14.058 -4.069 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.953 15.154 -3.004 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.351 16.502 -3.612 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.171 16.503 -4.516 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.830 17.510 -3.162 1.00 1.86 O ATOM 0 H GLU A 95 -3.809 13.250 -3.347 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.493 12.617 -2.529 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.305 14.214 -4.841 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.031 14.107 -4.559 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.601 14.919 -2.160 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.934 15.204 -2.619 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.322 11.068 -5.140 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.630 9.991 -6.121 1.00 0.14 C ATOM 1463 C LYS A 96 -6.023 8.719 -5.372 1.00 0.12 C ATOM 1464 O LYS A 96 -6.864 7.966 -5.813 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.395 9.723 -6.985 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.799 9.002 -8.273 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.562 8.790 -9.158 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.993 8.487 -10.595 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.792 8.458 -11.476 1.00 2.05 N ATOM 0 H LYS A 96 -4.342 11.346 -5.100 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.456 10.302 -6.760 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.899 10.663 -7.226 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.678 9.118 -6.430 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.257 8.042 -8.035 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.546 9.587 -8.810 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.933 9.680 -9.138 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.962 7.967 -8.768 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.511 7.529 -10.637 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.695 9.245 -10.943 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.083 8.252 -12.453 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.316 9.382 -11.444 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.138 7.720 -11.147 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.415 8.471 -4.243 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.754 7.243 -3.470 1.00 0.11 C ATOM 1485 C LEU A 97 -7.269 7.171 -3.278 1.00 0.11 C ATOM 1486 O LEU A 97 -7.867 6.116 -3.345 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.080 7.303 -2.090 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.601 6.911 -2.196 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.925 7.181 -0.848 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.476 5.413 -2.565 1.00 0.13 C ATOM 0 H LEU A 97 -4.700 9.065 -3.824 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.404 6.365 -4.013 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.167 8.309 -1.680 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.591 6.632 -1.400 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.116 7.499 -2.975 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.872 6.907 -0.908 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.011 8.240 -0.603 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.411 6.589 -0.072 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.423 5.143 -2.638 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.953 4.807 -1.794 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.964 5.232 -3.523 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.889 8.288 -3.028 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.367 8.283 -2.819 1.00 0.14 C ATOM 1504 C GLU A 98 -10.063 7.888 -4.124 1.00 0.13 C ATOM 1505 O GLU A 98 -10.830 6.947 -4.172 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.829 9.681 -2.392 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.275 9.620 -1.887 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.322 8.870 -0.553 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.105 9.501 0.468 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.576 7.677 -0.579 1.00 2.15 O ATOM 0 H GLU A 98 -7.441 9.202 -2.959 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.623 7.565 -2.039 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.177 10.066 -1.608 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.757 10.370 -3.233 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.670 10.628 -1.763 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.906 9.118 -2.620 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.802 8.607 -5.180 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.448 8.288 -6.485 1.00 0.14 C ATOM 1519 C ALA A 99 -10.103 6.858 -6.914 1.00 0.12 C ATOM 1520 O ALA A 99 -10.935 6.147 -7.434 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.953 9.274 -7.548 1.00 0.15 C ATOM 0 H ALA A 99 -9.167 9.405 -5.196 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.529 8.371 -6.377 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.423 9.044 -8.504 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.213 10.290 -7.251 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.871 9.190 -7.646 1.00 0.15 H new ATOM 1527 N THR A 100 -8.884 6.437 -6.714 1.00 0.11 N ATOM 1528 CA THR A 100 -8.489 5.058 -7.130 1.00 0.11 C ATOM 1529 C THR A 100 -9.204 4.025 -6.256 1.00 0.10 C ATOM 1530 O THR A 100 -9.757 3.060 -6.746 1.00 0.11 O ATOM 1531 CB THR A 100 -6.973 4.895 -6.985 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.323 6.011 -7.576 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.522 3.613 -7.687 1.00 0.12 C ATOM 0 H THR A 100 -8.143 6.988 -6.280 1.00 0.11 H new ATOM 0 HA THR A 100 -8.773 4.902 -8.171 1.00 0.11 H new ATOM 0 HB THR A 100 -6.714 4.836 -5.928 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.259 6.737 -6.921 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.443 3.501 -7.582 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.022 2.756 -7.236 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.779 3.668 -8.745 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.203 4.218 -4.968 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.892 3.246 -4.070 1.00 0.11 C ATOM 1543 C ILE A 101 -11.382 3.229 -4.416 1.00 0.13 C ATOM 1544 O ILE A 101 -11.973 2.185 -4.593 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.693 3.673 -2.607 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.230 3.416 -2.199 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.634 2.871 -1.695 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.878 4.211 -0.935 1.00 0.18 C ATOM 0 H ILE A 101 -8.756 5.005 -4.497 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.476 2.248 -4.205 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.921 4.734 -2.504 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.077 2.352 -2.021 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.564 3.702 -3.013 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.487 3.179 -0.660 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.668 3.057 -1.986 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.415 1.808 -1.792 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.841 4.018 -0.661 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.010 5.276 -1.126 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.532 3.905 -0.119 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.990 4.378 -4.520 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.441 4.430 -4.858 1.00 0.17 C ATOM 1562 C ASN A 102 -13.660 3.812 -6.240 1.00 0.18 C ATOM 1563 O ASN A 102 -14.763 3.461 -6.607 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.906 5.889 -4.870 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.432 5.941 -4.952 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.113 5.154 -4.326 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.003 6.845 -5.702 1.00 1.03 N ATOM 0 H ASN A 102 -11.544 5.285 -4.385 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.012 3.873 -4.115 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.563 6.398 -3.969 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.468 6.414 -5.719 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.020 6.890 -5.762 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.432 7.506 -6.228 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.617 3.693 -7.014 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.755 3.112 -8.380 1.00 0.18 C ATOM 1576 C GLU A 103 -12.878 1.586 -8.302 1.00 0.19 C ATOM 1577 O GLU A 103 -13.791 0.997 -8.843 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.512 3.472 -9.206 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.817 3.320 -10.700 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.530 3.506 -11.507 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.470 3.250 -10.961 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.628 3.901 -12.656 1.00 2.02 O ATOM 0 H GLU A 103 -11.671 3.974 -6.758 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.652 3.517 -8.848 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.206 4.496 -8.991 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.680 2.825 -8.928 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.243 2.336 -10.897 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.560 4.056 -11.007 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.941 0.942 -7.657 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.966 -0.550 -7.570 1.00 0.19 C ATOM 1591 C LEU A 104 -12.659 -1.005 -6.280 1.00 0.19 C ATOM 1592 O LEU A 104 -12.618 -2.167 -5.927 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.525 -1.069 -7.588 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.725 -0.348 -8.681 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.315 -0.943 -8.758 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.425 -0.515 -10.039 1.00 0.35 C ATOM 0 H LEU A 104 -11.155 1.387 -7.184 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.522 -0.949 -8.418 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.058 -0.907 -6.616 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.518 -2.144 -7.769 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.663 0.713 -8.438 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.746 -0.431 -9.534 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.814 -0.817 -7.798 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.381 -2.005 -8.996 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.851 -0.000 -10.810 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.494 -1.575 -10.285 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.427 -0.088 -9.987 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.297 -0.113 -5.575 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.987 -0.522 -4.317 1.00 0.22 C ATOM 1610 C VAL A 105 -15.101 -1.517 -4.655 1.00 0.26 C ATOM 1611 O VAL A 105 -15.445 -2.308 -3.793 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.588 0.710 -3.632 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.631 1.354 -4.550 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.249 0.299 -2.312 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.586 -1.472 -5.774 1.00 1.18 O ATOM 0 H VAL A 105 -13.371 0.876 -5.812 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.269 -0.990 -3.643 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.794 1.428 -3.428 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.056 2.230 -4.060 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.157 1.656 -5.484 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.423 0.636 -4.761 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.675 1.179 -1.829 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.040 -0.424 -2.511 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.503 -0.150 -1.656 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.912 0.663 6.078 1.00 0.00 N ATOM 1627 CA PHE B 1 22.103 1.868 5.745 1.00 0.00 C ATOM 1628 C PHE B 1 20.871 1.446 4.945 1.00 0.00 C ATOM 1629 O PHE B 1 20.717 0.293 4.594 1.00 0.00 O ATOM 1630 CB PHE B 1 22.947 2.840 4.917 1.00 0.00 C ATOM 1631 CG PHE B 1 23.454 2.141 3.676 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.606 1.976 2.566 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.774 1.657 3.629 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.075 1.330 1.411 1.00 0.00 C ATOM 1635 CE2 PHE B 1 25.245 1.008 2.473 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.395 0.845 1.364 1.00 0.00 C ATOM 0 H1 PHE B 1 23.289 0.754 7.043 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.313 -0.185 6.018 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.701 0.577 5.405 1.00 0.00 H new ATOM 0 HA PHE B 1 21.787 2.361 6.665 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.351 3.709 4.639 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.786 3.205 5.510 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.592 2.347 2.602 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.426 1.784 4.481 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.423 1.205 0.559 1.00 0.00 H new ATOM 0 HE2 PHE B 1 26.258 0.635 2.437 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.756 0.347 0.476 1.00 0.00 H new ATOM 1648 N ARG B 2 19.989 2.372 4.660 1.00 0.00 N ATOM 1649 CA ARG B 2 18.752 2.036 3.887 1.00 0.00 C ATOM 1650 C ARG B 2 18.623 2.994 2.701 1.00 0.00 C ATOM 1651 O ARG B 2 17.936 3.988 2.774 1.00 0.00 O ATOM 1652 CB ARG B 2 17.524 2.192 4.794 1.00 0.00 C ATOM 1653 CG ARG B 2 17.700 1.368 6.080 1.00 0.00 C ATOM 1654 CD ARG B 2 17.415 -0.128 5.814 1.00 0.00 C ATOM 1655 NE ARG B 2 16.131 -0.520 6.472 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.925 -0.300 7.743 1.00 0.00 C ATOM 1657 NH1 ARG B 2 16.883 0.183 8.487 1.00 0.00 N ATOM 1658 NH2 ARG B 2 14.767 -0.578 8.273 1.00 0.00 N ATOM 0 H ARG B 2 20.073 3.352 4.931 1.00 0.00 H new ATOM 0 HA ARG B 2 18.815 1.009 3.528 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.380 3.243 5.045 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.629 1.865 4.265 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.715 1.488 6.459 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.026 1.740 6.851 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.356 -0.312 4.741 1.00 0.00 H new ATOM 0 HD3 ARG B 2 18.233 -0.738 6.198 1.00 0.00 H new ATOM 0 HE ARG B 2 15.401 -0.968 5.918 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.793 0.389 8.076 1.00 0.00 H new ATOM 0 HH12 ARG B 2 16.721 0.354 9.479 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.022 -0.967 7.695 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.606 -0.406 9.265 1.00 0.00 H new ATOM 1672 N PHE B 3 19.278 2.701 1.607 1.00 0.00 N ATOM 1673 CA PHE B 3 19.196 3.594 0.406 1.00 0.00 C ATOM 1674 C PHE B 3 19.004 2.744 -0.848 1.00 0.00 C ATOM 1675 O PHE B 3 19.631 1.715 -1.011 1.00 0.00 O ATOM 1676 CB PHE B 3 20.490 4.408 0.278 1.00 0.00 C ATOM 1677 CG PHE B 3 20.440 5.597 1.212 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.623 5.417 2.595 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.211 6.886 0.696 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.577 6.523 3.460 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.165 7.992 1.562 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.349 7.810 2.944 1.00 0.00 C ATOM 0 H PHE B 3 19.870 1.878 1.491 1.00 0.00 H new ATOM 0 HA PHE B 3 18.351 4.274 0.519 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.350 3.782 0.517 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.618 4.746 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.799 4.428 2.992 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.071 7.025 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.717 6.384 4.522 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.988 8.981 1.166 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.315 8.660 3.609 1.00 0.00 H new ATOM 1692 N ARG B 4 18.143 3.168 -1.737 1.00 0.00 N ATOM 1693 CA ARG B 4 17.905 2.390 -2.989 1.00 0.00 C ATOM 1694 C ARG B 4 17.789 3.359 -4.176 1.00 0.00 C ATOM 1695 O ARG B 4 18.766 3.631 -4.844 1.00 0.00 O ATOM 1696 CB ARG B 4 16.617 1.552 -2.824 1.00 0.00 C ATOM 1697 CG ARG B 4 16.917 0.057 -3.012 1.00 0.00 C ATOM 1698 CD ARG B 4 17.600 -0.193 -4.377 1.00 0.00 C ATOM 1699 NE ARG B 4 16.897 -1.290 -5.113 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.590 -2.415 -4.521 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.974 -2.641 -3.294 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.919 -3.326 -5.169 1.00 0.00 N ATOM 0 H ARG B 4 17.593 4.022 -1.649 1.00 0.00 H new ATOM 0 HA ARG B 4 18.738 1.713 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.191 1.721 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.872 1.873 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.562 -0.294 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.992 -0.516 -2.952 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.586 0.721 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.646 -0.459 -4.225 1.00 0.00 H new ATOM 0 HE ARG B 4 16.653 -1.158 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.516 -1.938 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.732 -3.520 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.635 -3.160 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.678 -4.205 -4.710 1.00 0.00 H new ATOM 1716 N TYR B 5 16.613 3.882 -4.445 1.00 0.00 N ATOM 1717 CA TYR B 5 16.456 4.837 -5.593 1.00 0.00 C ATOM 1718 C TYR B 5 15.849 6.160 -5.114 1.00 0.00 C ATOM 1719 O TYR B 5 15.688 6.398 -3.932 1.00 0.00 O ATOM 1720 CB TYR B 5 15.605 4.206 -6.712 1.00 0.00 C ATOM 1721 CG TYR B 5 14.477 3.383 -6.144 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.706 2.054 -5.758 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.191 3.930 -6.045 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.653 1.274 -5.253 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.134 3.150 -5.549 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.364 1.822 -5.149 1.00 0.00 C ATOM 1727 OH TYR B 5 11.327 1.057 -4.663 1.00 0.00 O ATOM 0 H TYR B 5 15.759 3.690 -3.922 1.00 0.00 H new ATOM 0 HA TYR B 5 17.443 5.050 -6.004 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.200 4.991 -7.350 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.236 3.578 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.695 1.629 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.013 4.951 -6.350 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.834 0.255 -4.945 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.142 3.571 -5.475 1.00 0.00 H new ATOM 0 HH TYR B 5 11.643 0.144 -4.499 1.00 0.00 H new ATOM 1737 N VAL B 6 15.574 7.047 -6.033 1.00 0.00 N ATOM 1738 CA VAL B 6 15.049 8.400 -5.670 1.00 0.00 C ATOM 1739 C VAL B 6 13.616 8.348 -5.136 1.00 0.00 C ATOM 1740 O VAL B 6 12.803 7.548 -5.555 1.00 0.00 O ATOM 1741 CB VAL B 6 15.062 9.293 -6.915 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.946 10.761 -6.499 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.363 9.089 -7.687 1.00 0.00 C ATOM 0 H VAL B 6 15.692 6.891 -7.034 1.00 0.00 H new ATOM 0 HA VAL B 6 15.692 8.796 -4.884 1.00 0.00 H new ATOM 0 HB VAL B 6 14.218 9.026 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.956 11.393 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.013 10.913 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.787 11.025 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.365 9.727 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.209 9.348 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.445 8.046 -7.992 1.00 0.00 H new ATOM 1753 N CYS B 7 13.300 9.255 -4.242 1.00 0.00 N ATOM 1754 CA CYS B 7 11.915 9.346 -3.695 1.00 0.00 C ATOM 1755 C CYS B 7 11.195 10.494 -4.405 1.00 0.00 C ATOM 1756 O CYS B 7 11.327 11.641 -4.029 1.00 0.00 O ATOM 1757 CB CYS B 7 11.960 9.632 -2.188 1.00 0.00 C ATOM 1758 SG CYS B 7 13.250 8.635 -1.401 1.00 0.00 S ATOM 0 H CYS B 7 13.953 9.943 -3.866 1.00 0.00 H new ATOM 0 HA CYS B 7 11.391 8.404 -3.858 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.154 10.691 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.992 9.408 -1.739 1.00 0.00 H new ATOM 1763 N GLU B 8 10.448 10.208 -5.436 1.00 0.00 N ATOM 1764 CA GLU B 8 9.747 11.308 -6.163 1.00 0.00 C ATOM 1765 C GLU B 8 8.428 11.647 -5.462 1.00 0.00 C ATOM 1766 O GLU B 8 7.398 11.842 -6.088 1.00 0.00 O ATOM 1767 CB GLU B 8 9.467 10.884 -7.609 1.00 0.00 C ATOM 1768 CG GLU B 8 8.965 9.433 -7.638 1.00 0.00 C ATOM 1769 CD GLU B 8 8.163 9.194 -8.922 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.683 9.492 -9.985 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.046 8.718 -8.818 1.00 0.00 O ATOM 0 H GLU B 8 10.293 9.270 -5.805 1.00 0.00 H new ATOM 0 HA GLU B 8 10.387 12.190 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.723 11.545 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.374 10.977 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.809 8.744 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.342 9.235 -6.766 1.00 0.00 H new ATOM 1778 N GLY B 9 8.452 11.756 -4.168 1.00 0.00 N ATOM 1779 CA GLY B 9 7.214 12.128 -3.442 1.00 0.00 C ATOM 1780 C GLY B 9 6.903 13.591 -3.796 1.00 0.00 C ATOM 1781 O GLY B 9 6.988 13.955 -4.955 1.00 0.00 O ATOM 0 H GLY B 9 9.274 11.604 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.388 11.478 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.349 12.013 -2.367 1.00 0.00 H new ATOM 1785 N PRO B 10 6.581 14.413 -2.820 1.00 0.00 N ATOM 1786 CA PRO B 10 6.308 15.837 -3.091 1.00 0.00 C ATOM 1787 C PRO B 10 7.600 16.519 -3.560 1.00 0.00 C ATOM 1788 O PRO B 10 7.761 17.718 -3.441 1.00 0.00 O ATOM 1789 CB PRO B 10 5.837 16.414 -1.738 1.00 0.00 C ATOM 1790 CG PRO B 10 5.944 15.280 -0.683 1.00 0.00 C ATOM 1791 CD PRO B 10 6.450 14.018 -1.401 1.00 0.00 C ATOM 0 HA PRO B 10 5.562 15.989 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.453 17.265 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.811 16.774 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.628 15.565 0.116 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.974 15.094 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.405 13.688 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.751 13.190 -1.284 1.00 0.00 H new ATOM 1799 N SER B 11 8.523 15.757 -4.078 1.00 0.00 N ATOM 1800 CA SER B 11 9.814 16.336 -4.542 1.00 0.00 C ATOM 1801 C SER B 11 9.627 16.994 -5.912 1.00 0.00 C ATOM 1802 O SER B 11 10.346 17.903 -6.275 1.00 0.00 O ATOM 1803 CB SER B 11 10.856 15.217 -4.647 1.00 0.00 C ATOM 1804 OG SER B 11 12.139 15.790 -4.859 1.00 0.00 O ATOM 0 H SER B 11 8.437 14.748 -4.201 1.00 0.00 H new ATOM 0 HA SER B 11 10.152 17.089 -3.830 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.858 14.619 -3.736 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.604 14.546 -5.468 1.00 0.00 H new ATOM 0 HG SER B 11 12.809 15.077 -4.925 1.00 0.00 H new ATOM 1810 N HIS B 12 8.669 16.543 -6.678 1.00 0.00 N ATOM 1811 CA HIS B 12 8.442 17.148 -8.025 1.00 0.00 C ATOM 1812 C HIS B 12 7.543 18.381 -7.889 1.00 0.00 C ATOM 1813 O HIS B 12 6.955 18.621 -6.853 1.00 0.00 O ATOM 1814 CB HIS B 12 7.767 16.117 -8.938 1.00 0.00 C ATOM 1815 CG HIS B 12 7.846 16.578 -10.368 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.039 16.971 -10.953 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.889 16.709 -11.344 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.773 17.318 -12.225 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.477 17.177 -12.516 1.00 0.00 N ATOM 0 H HIS B 12 8.035 15.784 -6.431 1.00 0.00 H new ATOM 0 HA HIS B 12 9.398 17.445 -8.457 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.254 15.148 -8.831 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.725 15.984 -8.645 1.00 0.00 H new ATOM 0 HD2 HIS B 12 5.840 16.483 -11.221 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.517 17.668 -12.926 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.017 17.371 -13.406 1.00 0.00 H new ATOM 1827 N GLY B 13 7.432 19.165 -8.927 1.00 0.00 N ATOM 1828 CA GLY B 13 6.570 20.380 -8.858 1.00 0.00 C ATOM 1829 C GLY B 13 6.982 21.235 -7.659 1.00 0.00 C ATOM 1830 O GLY B 13 6.120 21.896 -7.103 1.00 0.00 O ATOM 1831 OXT GLY B 13 8.153 21.218 -7.317 1.00 0.00 O ATOM 0 H GLY B 13 7.901 19.017 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.663 20.957 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.523 20.091 -8.768 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.027 -9.915 -1.212 1.00 0.24 O HETATM 1839 O HOH A 107 9.605 -3.648 5.117 1.00 0.40 O HETATM 1842 O HOH A 108 12.707 1.433 1.966 1.00 0.32 O HETATM 1845 O HOH A 109 -8.840 -8.490 -0.043 1.00 0.26 O HETATM 1848 O HOH A 110 -7.429 -12.921 0.553 1.00 0.21 O HETATM 1851 O HOH A 111 -12.369 -2.863 0.274 1.00 0.37 O