USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 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 81 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00309) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -152:sc= -2.04! (180deg=-2.55) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0142 (180deg=-0.703) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0482 (180deg=-0.658) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= -1.25 (180deg=-1.31) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.07! K(o=-1.1!,f=-0.096) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -1.01 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0549 (180deg=-0.473) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.854 (180deg=-2.36!) USER MOD Single : A 43 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.031) USER MOD Single : A 44 SER OG : rot -15:sc= -0.163 USER MOD Single : A 46 SER OG : rot 111:sc= -0.232 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.115) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -0.0916 K(o=-0.092,f=-1.9!) USER MOD Single : A 67 SER OG : rot 62:sc= 1.05 USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.167 (180deg=-1.14) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 76 THR OG1 : rot -67:sc= -1.18 USER MOD Single : A 78 GLN : amide:sc= -2 K(o=-2,f=-2.6!) USER MOD Single : A 84 GLN : amide:sc= -3.26! K(o=-3.3!,f=-0.36) USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= -1.21 (180deg=-3.25!) USER MOD Single : A 90 SER OG : rot 123:sc= 1.18 USER MOD Single : A 93 ASN : amide:sc= -1.05 K(o=-1,f=-6.2!) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= 0 (180deg=-1.05) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 71:sc= -0.177 USER MOD Single : A 102 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.64!) USER MOD Single : B 1 PHE N :NH3+ -154:sc= 0.559 (180deg=0.0918) USER MOD Single : B 5 TYR OH : rot 8:sc= -2.27 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.484 -3.051 7.945 1.00 0.73 N ATOM 2 CA MET A 1 -6.558 -2.227 8.771 1.00 0.31 C ATOM 3 C MET A 1 -5.199 -2.137 8.074 1.00 0.24 C ATOM 4 O MET A 1 -5.084 -2.366 6.886 1.00 0.21 O ATOM 5 CB MET A 1 -6.387 -2.875 10.146 1.00 0.70 C ATOM 6 CG MET A 1 -7.741 -2.922 10.857 1.00 1.55 C ATOM 7 SD MET A 1 -7.543 -3.699 12.482 1.00 2.25 S ATOM 8 CE MET A 1 -8.109 -5.359 12.030 1.00 2.89 C ATOM 0 H1 MET A 1 -8.424 -2.607 7.930 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.117 -3.117 6.974 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.558 -4.005 8.353 1.00 0.73 H new ATOM 0 HA MET A 1 -6.971 -1.226 8.892 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.985 -3.882 10.038 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.671 -2.308 10.741 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.140 -1.914 10.970 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.459 -3.483 10.259 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.066 -6.009 12.904 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.135 -5.307 11.667 1.00 2.89 H new ATOM 0 HE3 MET A 1 -7.467 -5.762 11.246 1.00 2.89 H new ATOM 20 N VAL A 2 -4.167 -1.804 8.804 1.00 0.24 N ATOM 21 CA VAL A 2 -2.810 -1.697 8.187 1.00 0.19 C ATOM 22 C VAL A 2 -2.058 -3.019 8.370 1.00 0.22 C ATOM 23 O VAL A 2 -2.395 -3.824 9.217 1.00 0.28 O ATOM 24 CB VAL A 2 -2.030 -0.569 8.867 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.626 -0.486 8.267 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.757 0.760 8.648 1.00 0.30 C ATOM 0 H VAL A 2 -4.205 -1.601 9.803 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.911 -1.482 7.123 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.958 -0.772 9.936 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.070 0.317 8.751 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.107 -1.432 8.423 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.698 -0.284 7.198 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.201 1.563 9.132 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.830 0.963 7.580 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.758 0.702 9.076 1.00 0.30 H new ATOM 36 N LYS A 3 -1.037 -3.248 7.587 1.00 0.18 N ATOM 37 CA LYS A 3 -0.256 -4.514 7.714 1.00 0.22 C ATOM 38 C LYS A 3 1.158 -4.246 7.182 1.00 0.16 C ATOM 39 O LYS A 3 1.336 -3.850 6.047 1.00 0.13 O ATOM 40 CB LYS A 3 -0.939 -5.625 6.891 1.00 0.26 C ATOM 41 CG LYS A 3 -0.559 -7.016 7.426 1.00 0.34 C ATOM 42 CD LYS A 3 0.959 -7.150 7.547 1.00 0.81 C ATOM 43 CE LYS A 3 1.336 -8.627 7.695 1.00 1.37 C ATOM 44 NZ LYS A 3 0.369 -9.297 8.610 1.00 1.97 N ATOM 0 H LYS A 3 -0.709 -2.610 6.862 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.208 -4.839 8.753 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -2.021 -5.499 6.930 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.646 -5.541 5.845 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -1.022 -7.176 8.400 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.945 -7.786 6.759 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.442 -6.728 6.666 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.316 -6.585 8.408 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.329 -9.115 6.720 1.00 1.37 H new ATOM 0 HE3 LYS A 3 2.348 -8.717 8.089 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.784 -10.181 8.966 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.155 -8.668 9.410 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.508 -9.510 8.093 1.00 1.97 H new ATOM 58 N GLN A 4 2.162 -4.437 7.996 1.00 0.18 N ATOM 59 CA GLN A 4 3.557 -4.167 7.541 1.00 0.15 C ATOM 60 C GLN A 4 4.142 -5.403 6.848 1.00 0.13 C ATOM 61 O GLN A 4 3.942 -6.526 7.266 1.00 0.14 O ATOM 62 CB GLN A 4 4.416 -3.801 8.761 1.00 0.20 C ATOM 63 CG GLN A 4 5.912 -3.874 8.407 1.00 0.21 C ATOM 64 CD GLN A 4 6.726 -3.071 9.424 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.474 -3.139 10.609 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.702 -2.313 9.005 1.00 0.98 N ATOM 0 H GLN A 4 2.076 -4.768 8.957 1.00 0.18 H new ATOM 0 HA GLN A 4 3.551 -3.342 6.828 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.165 -2.796 9.102 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.197 -4.481 9.585 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.243 -4.912 8.401 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.077 -3.481 7.404 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.913 -2.257 8.009 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.254 -1.777 9.674 1.00 0.98 H new ATOM 75 N ILE A 5 4.891 -5.180 5.800 1.00 0.10 N ATOM 76 CA ILE A 5 5.541 -6.297 5.054 1.00 0.10 C ATOM 77 C ILE A 5 7.046 -6.221 5.306 1.00 0.10 C ATOM 78 O ILE A 5 7.715 -5.325 4.829 1.00 0.11 O ATOM 79 CB ILE A 5 5.300 -6.122 3.555 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.806 -5.877 3.251 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.808 -7.354 2.804 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.907 -6.925 3.918 1.00 0.19 C ATOM 0 H ILE A 5 5.083 -4.252 5.423 1.00 0.10 H new ATOM 0 HA ILE A 5 5.131 -7.252 5.384 1.00 0.10 H new ATOM 0 HB ILE A 5 5.851 -5.244 3.217 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.523 -4.883 3.598 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.647 -5.896 2.173 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.635 -7.226 1.736 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.876 -7.477 2.986 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.276 -8.239 3.154 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.864 -6.716 3.679 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.171 -7.917 3.552 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.045 -6.888 4.999 1.00 0.19 H new ATOM 94 N GLU A 6 7.585 -7.144 6.049 1.00 0.11 N ATOM 95 CA GLU A 6 9.049 -7.120 6.335 1.00 0.14 C ATOM 96 C GLU A 6 9.759 -8.130 5.429 1.00 0.14 C ATOM 97 O GLU A 6 10.964 -8.105 5.282 1.00 0.17 O ATOM 98 CB GLU A 6 9.270 -7.502 7.797 1.00 0.18 C ATOM 99 CG GLU A 6 8.304 -6.716 8.684 1.00 0.31 C ATOM 100 CD GLU A 6 8.586 -7.037 10.153 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.731 -6.908 10.557 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.654 -7.407 10.847 1.00 1.97 O ATOM 0 H GLU A 6 7.075 -7.918 6.473 1.00 0.11 H new ATOM 0 HA GLU A 6 9.450 -6.124 6.148 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.114 -8.572 7.931 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.299 -7.291 8.087 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.418 -5.647 8.506 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.274 -6.973 8.436 1.00 0.31 H new ATOM 109 N SER A 7 9.019 -9.018 4.818 1.00 0.13 N ATOM 110 CA SER A 7 9.652 -10.025 3.918 1.00 0.15 C ATOM 111 C SER A 7 8.634 -10.510 2.884 1.00 0.14 C ATOM 112 O SER A 7 7.438 -10.422 3.085 1.00 0.12 O ATOM 113 CB SER A 7 10.146 -11.208 4.747 1.00 0.20 C ATOM 114 OG SER A 7 9.046 -11.802 5.424 1.00 0.23 O ATOM 0 H SER A 7 8.005 -9.089 4.904 1.00 0.13 H new ATOM 0 HA SER A 7 10.495 -9.567 3.400 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.629 -11.942 4.102 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.894 -10.875 5.467 1.00 0.20 H new ATOM 0 HG SER A 7 9.361 -12.563 5.955 1.00 0.23 H new ATOM 120 N LYS A 8 9.100 -11.023 1.780 1.00 0.15 N ATOM 121 CA LYS A 8 8.164 -11.516 0.732 1.00 0.14 C ATOM 122 C LYS A 8 7.148 -12.474 1.361 1.00 0.14 C ATOM 123 O LYS A 8 6.040 -12.619 0.885 1.00 0.13 O ATOM 124 CB LYS A 8 8.963 -12.244 -0.358 1.00 0.17 C ATOM 125 CG LYS A 8 8.128 -12.331 -1.638 1.00 0.21 C ATOM 126 CD LYS A 8 8.921 -13.074 -2.715 1.00 0.22 C ATOM 127 CE LYS A 8 8.014 -13.357 -3.914 1.00 1.06 C ATOM 128 NZ LYS A 8 7.493 -12.071 -4.458 1.00 1.90 N ATOM 0 H LYS A 8 10.091 -11.122 1.558 1.00 0.15 H new ATOM 0 HA LYS A 8 7.632 -10.674 0.289 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.895 -11.713 -0.555 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.232 -13.244 -0.019 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.190 -12.850 -1.439 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.871 -11.331 -1.986 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.778 -12.477 -3.027 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.313 -14.009 -2.313 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.569 -13.892 -4.685 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.186 -13.999 -3.614 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.890 -12.262 -5.283 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.935 -11.585 -3.727 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.290 -11.467 -4.744 1.00 1.90 H new ATOM 142 N THR A 9 7.519 -13.132 2.425 1.00 0.16 N ATOM 143 CA THR A 9 6.579 -14.084 3.084 1.00 0.18 C ATOM 144 C THR A 9 5.323 -13.342 3.550 1.00 0.16 C ATOM 145 O THR A 9 4.212 -13.772 3.312 1.00 0.17 O ATOM 146 CB THR A 9 7.264 -14.724 4.285 1.00 0.21 C ATOM 147 OG1 THR A 9 8.503 -15.286 3.878 1.00 0.24 O ATOM 148 CG2 THR A 9 6.367 -15.819 4.864 1.00 0.25 C ATOM 0 H THR A 9 8.434 -13.052 2.868 1.00 0.16 H new ATOM 0 HA THR A 9 6.294 -14.856 2.369 1.00 0.18 H new ATOM 0 HB THR A 9 7.443 -13.966 5.048 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.945 -15.696 4.650 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.859 -16.276 5.723 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.418 -15.384 5.178 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.184 -16.579 4.104 1.00 0.25 H new ATOM 156 N ALA A 10 5.491 -12.236 4.218 1.00 0.16 N ATOM 157 CA ALA A 10 4.309 -11.469 4.708 1.00 0.17 C ATOM 158 C ALA A 10 3.555 -10.870 3.520 1.00 0.15 C ATOM 159 O ALA A 10 2.364 -10.635 3.583 1.00 0.17 O ATOM 160 CB ALA A 10 4.782 -10.342 5.629 1.00 0.20 C ATOM 0 H ALA A 10 6.397 -11.828 4.447 1.00 0.16 H new ATOM 0 HA ALA A 10 3.646 -12.138 5.257 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.920 -9.780 5.988 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.318 -10.767 6.478 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.445 -9.676 5.078 1.00 0.20 H new ATOM 166 N PHE A 11 4.237 -10.613 2.438 1.00 0.12 N ATOM 167 CA PHE A 11 3.553 -10.022 1.254 1.00 0.11 C ATOM 168 C PHE A 11 2.443 -10.954 0.775 1.00 0.13 C ATOM 169 O PHE A 11 1.275 -10.638 0.866 1.00 0.16 O ATOM 170 CB PHE A 11 4.562 -9.815 0.123 1.00 0.10 C ATOM 171 CG PHE A 11 3.871 -9.162 -1.055 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.415 -7.834 -0.953 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.695 -9.873 -2.258 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.784 -7.218 -2.050 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.060 -9.257 -3.354 1.00 0.18 C ATOM 176 CZ PHE A 11 2.606 -7.930 -3.250 1.00 0.21 C ATOM 0 H PHE A 11 5.236 -10.786 2.323 1.00 0.12 H new ATOM 0 HA PHE A 11 3.122 -9.062 1.538 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.387 -9.191 0.467 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.990 -10.772 -0.177 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.550 -7.287 -0.032 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.047 -10.891 -2.340 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.436 -6.199 -1.970 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.922 -9.804 -4.275 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.121 -7.458 -4.091 1.00 0.21 H new ATOM 186 N GLN A 12 2.796 -12.099 0.261 1.00 0.15 N ATOM 187 CA GLN A 12 1.758 -13.044 -0.234 1.00 0.19 C ATOM 188 C GLN A 12 0.738 -13.314 0.874 1.00 0.17 C ATOM 189 O GLN A 12 -0.454 -13.328 0.643 1.00 0.16 O ATOM 190 CB GLN A 12 2.424 -14.358 -0.647 1.00 0.24 C ATOM 191 CG GLN A 12 3.548 -14.069 -1.644 1.00 1.21 C ATOM 192 CD GLN A 12 4.117 -15.389 -2.170 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.906 -15.398 -3.094 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.748 -16.511 -1.617 1.00 2.47 N ATOM 0 H GLN A 12 3.759 -12.421 0.162 1.00 0.15 H new ATOM 0 HA GLN A 12 1.249 -12.607 -1.093 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.823 -14.867 0.230 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.688 -15.026 -1.095 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.169 -13.469 -2.471 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.335 -13.488 -1.163 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.086 -16.504 -0.841 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.122 -17.396 -1.960 1.00 2.47 H new ATOM 203 N GLU A 13 1.196 -13.531 2.073 1.00 0.19 N ATOM 204 CA GLU A 13 0.255 -13.803 3.192 1.00 0.20 C ATOM 205 C GLU A 13 -0.702 -12.621 3.370 1.00 0.18 C ATOM 206 O GLU A 13 -1.868 -12.796 3.666 1.00 0.19 O ATOM 207 CB GLU A 13 1.056 -14.017 4.478 1.00 0.25 C ATOM 208 CG GLU A 13 1.693 -15.409 4.467 1.00 0.30 C ATOM 209 CD GLU A 13 2.594 -15.566 5.694 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.964 -14.554 6.267 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.898 -16.695 6.041 1.00 2.03 O ATOM 0 H GLU A 13 2.184 -13.532 2.327 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.328 -14.697 2.968 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.829 -13.254 4.567 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.404 -13.912 5.345 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.918 -16.176 4.471 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.274 -15.548 3.555 1.00 0.30 H new ATOM 218 N ALA A 14 -0.224 -11.418 3.197 1.00 0.18 N ATOM 219 CA ALA A 14 -1.115 -10.235 3.364 1.00 0.18 C ATOM 220 C ALA A 14 -2.274 -10.323 2.363 1.00 0.18 C ATOM 221 O ALA A 14 -3.423 -10.137 2.711 1.00 0.19 O ATOM 222 CB ALA A 14 -0.313 -8.960 3.105 1.00 0.20 C ATOM 0 H ALA A 14 0.742 -11.204 2.948 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.514 -10.217 4.378 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.961 -8.092 3.226 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.512 -8.899 3.815 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.082 -8.979 2.089 1.00 0.20 H new ATOM 228 N LEU A 15 -1.976 -10.608 1.125 1.00 0.17 N ATOM 229 CA LEU A 15 -3.050 -10.715 0.091 1.00 0.18 C ATOM 230 C LEU A 15 -3.989 -11.871 0.445 1.00 0.18 C ATOM 231 O LEU A 15 -5.195 -11.757 0.345 1.00 0.18 O ATOM 232 CB LEU A 15 -2.413 -10.970 -1.281 1.00 0.19 C ATOM 233 CG LEU A 15 -1.155 -10.106 -1.438 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.617 -10.231 -2.869 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.500 -8.640 -1.146 1.00 0.62 C ATOM 0 H LEU A 15 -1.030 -10.773 0.781 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.619 -9.786 0.060 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.156 -12.024 -1.383 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.126 -10.738 -2.072 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.394 -10.447 -0.736 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.276 -9.616 -2.977 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.368 -11.272 -3.074 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.377 -9.894 -3.574 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.606 -8.027 -1.258 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.263 -8.300 -1.846 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.876 -8.551 -0.127 1.00 0.62 H new ATOM 247 N ASP A 16 -3.447 -12.983 0.854 1.00 0.19 N ATOM 248 CA ASP A 16 -4.309 -14.143 1.209 1.00 0.21 C ATOM 249 C ASP A 16 -5.178 -13.786 2.419 1.00 0.20 C ATOM 250 O ASP A 16 -6.350 -14.100 2.467 1.00 0.20 O ATOM 251 CB ASP A 16 -3.425 -15.345 1.551 1.00 0.24 C ATOM 252 CG ASP A 16 -4.305 -16.541 1.923 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.765 -16.585 3.053 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.501 -17.393 1.074 1.00 1.09 O ATOM 0 H ASP A 16 -2.444 -13.139 0.958 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.952 -14.391 0.364 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.792 -15.597 0.700 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.762 -15.097 2.380 1.00 0.24 H new ATOM 259 N ALA A 17 -4.613 -13.133 3.398 1.00 0.22 N ATOM 260 CA ALA A 17 -5.409 -12.760 4.603 1.00 0.24 C ATOM 261 C ALA A 17 -6.242 -11.509 4.308 1.00 0.21 C ATOM 262 O ALA A 17 -7.140 -11.163 5.049 1.00 0.22 O ATOM 263 CB ALA A 17 -4.462 -12.476 5.770 1.00 0.30 C ATOM 0 H ALA A 17 -3.636 -12.842 3.416 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.075 -13.583 4.863 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.042 -12.203 6.651 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.872 -13.367 5.985 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.795 -11.655 5.506 1.00 0.30 H new ATOM 269 N ALA A 18 -5.951 -10.827 3.234 1.00 0.21 N ATOM 270 CA ALA A 18 -6.728 -9.599 2.900 1.00 0.22 C ATOM 271 C ALA A 18 -8.159 -9.981 2.516 1.00 0.21 C ATOM 272 O ALA A 18 -9.005 -9.133 2.319 1.00 0.24 O ATOM 273 CB ALA A 18 -6.060 -8.879 1.725 1.00 0.23 C ATOM 0 H ALA A 18 -5.211 -11.066 2.574 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.752 -8.940 3.768 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.627 -7.981 1.479 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.042 -8.602 1.999 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.035 -9.541 0.859 1.00 0.23 H new ATOM 279 N GLY A 19 -8.438 -11.251 2.411 1.00 0.22 N ATOM 280 CA GLY A 19 -9.816 -11.680 2.042 1.00 0.24 C ATOM 281 C GLY A 19 -10.085 -11.334 0.576 1.00 0.20 C ATOM 282 O GLY A 19 -9.494 -11.900 -0.324 1.00 0.28 O ATOM 0 H GLY A 19 -7.773 -12.009 2.564 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.928 -12.753 2.200 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.546 -11.185 2.683 1.00 0.24 H new ATOM 286 N ASP A 20 -10.977 -10.408 0.328 1.00 0.13 N ATOM 287 CA ASP A 20 -11.299 -10.014 -1.080 1.00 0.18 C ATOM 288 C ASP A 20 -11.465 -8.489 -1.154 1.00 0.15 C ATOM 289 O ASP A 20 -11.771 -7.940 -2.194 1.00 0.22 O ATOM 290 CB ASP A 20 -12.591 -10.753 -1.523 1.00 0.26 C ATOM 291 CG ASP A 20 -13.812 -9.819 -1.525 1.00 1.43 C ATOM 292 OD1 ASP A 20 -14.440 -9.694 -0.487 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.096 -9.249 -2.566 1.00 2.21 O ATOM 0 H ASP A 20 -11.500 -9.904 1.044 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.492 -10.297 -1.756 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.449 -11.167 -2.521 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.777 -11.593 -0.853 1.00 0.26 H new ATOM 298 N LYS A 21 -11.259 -7.800 -0.064 1.00 0.12 N ATOM 299 CA LYS A 21 -11.401 -6.319 -0.090 1.00 0.19 C ATOM 300 C LYS A 21 -10.269 -5.731 -0.926 1.00 0.15 C ATOM 301 O LYS A 21 -9.311 -6.404 -1.251 1.00 0.15 O ATOM 302 CB LYS A 21 -11.322 -5.781 1.340 1.00 0.27 C ATOM 303 CG LYS A 21 -12.668 -5.991 2.039 1.00 0.29 C ATOM 304 CD LYS A 21 -12.493 -5.842 3.550 1.00 0.30 C ATOM 305 CE LYS A 21 -13.861 -5.671 4.210 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.741 -5.927 5.673 1.00 1.90 N ATOM 0 H LYS A 21 -11.000 -8.198 0.839 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.360 -6.041 -0.526 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.531 -6.292 1.889 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.068 -4.721 1.328 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.395 -5.266 1.674 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.060 -6.981 1.804 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.989 -6.719 3.956 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.862 -4.981 3.770 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.237 -4.663 4.036 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.579 -6.361 3.767 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.671 -5.811 6.123 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.400 -6.897 5.829 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.068 -5.252 6.090 1.00 1.90 H new ATOM 320 N LEU A 22 -10.363 -4.482 -1.281 1.00 0.13 N ATOM 321 CA LEU A 22 -9.282 -3.880 -2.095 1.00 0.11 C ATOM 322 C LEU A 22 -7.987 -3.916 -1.270 1.00 0.10 C ATOM 323 O LEU A 22 -8.021 -4.072 -0.064 1.00 0.11 O ATOM 324 CB LEU A 22 -9.670 -2.427 -2.453 1.00 0.12 C ATOM 325 CG LEU A 22 -9.349 -2.088 -3.924 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.670 -0.600 -4.175 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.866 -2.367 -4.236 1.00 0.11 C ATOM 0 H LEU A 22 -11.135 -3.859 -1.044 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.133 -4.433 -3.022 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.735 -2.281 -2.271 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.137 -1.738 -1.798 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.956 -2.715 -4.577 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.447 -0.350 -5.212 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.726 -0.417 -3.977 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.064 0.019 -3.514 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.661 -2.121 -5.278 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.237 -1.756 -3.589 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.650 -3.421 -4.062 1.00 0.11 H new ATOM 339 N VAL A 23 -6.850 -3.777 -1.898 1.00 0.08 N ATOM 340 CA VAL A 23 -5.561 -3.808 -1.145 1.00 0.09 C ATOM 341 C VAL A 23 -4.579 -2.821 -1.776 1.00 0.08 C ATOM 342 O VAL A 23 -4.025 -3.070 -2.828 1.00 0.09 O ATOM 343 CB VAL A 23 -4.964 -5.217 -1.210 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.804 -5.324 -0.219 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.038 -6.249 -0.857 1.00 0.10 C ATOM 0 H VAL A 23 -6.758 -3.643 -2.905 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.744 -3.534 -0.106 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.599 -5.410 -2.219 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.378 -6.326 -0.264 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.038 -4.592 -0.475 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.168 -5.130 0.790 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.610 -7.250 -0.904 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.407 -6.059 0.151 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.862 -6.173 -1.566 1.00 0.10 H new ATOM 355 N VAL A 24 -4.349 -1.702 -1.132 1.00 0.08 N ATOM 356 CA VAL A 24 -3.393 -0.690 -1.677 1.00 0.08 C ATOM 357 C VAL A 24 -2.077 -0.796 -0.909 1.00 0.08 C ATOM 358 O VAL A 24 -2.058 -0.859 0.304 1.00 0.08 O ATOM 359 CB VAL A 24 -3.978 0.715 -1.517 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.172 1.705 -2.361 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.441 0.718 -1.975 1.00 0.09 C ATOM 0 H VAL A 24 -4.786 -1.446 -0.247 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.218 -0.877 -2.737 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.928 1.011 -0.469 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.590 2.705 -2.246 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.134 1.705 -2.029 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.218 1.411 -3.410 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.856 1.719 -1.860 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.495 0.420 -3.022 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.014 0.016 -1.368 1.00 0.09 H new ATOM 371 N VAL A 25 -0.978 -0.839 -1.616 1.00 0.09 N ATOM 372 CA VAL A 25 0.359 -0.965 -0.956 1.00 0.09 C ATOM 373 C VAL A 25 1.126 0.347 -1.090 1.00 0.10 C ATOM 374 O VAL A 25 1.126 0.974 -2.130 1.00 0.17 O ATOM 375 CB VAL A 25 1.152 -2.076 -1.652 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.325 -2.507 -0.768 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.235 -3.275 -1.902 1.00 0.09 C ATOM 0 H VAL A 25 -0.948 -0.792 -2.634 1.00 0.09 H new ATOM 0 HA VAL A 25 0.223 -1.200 0.100 1.00 0.09 H new ATOM 0 HB VAL A 25 1.536 -1.704 -2.602 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.886 -3.297 -1.267 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.980 -1.654 -0.591 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.946 -2.877 0.184 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.798 -4.066 -2.397 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.149 -3.644 -0.951 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.597 -2.970 -2.536 1.00 0.09 H new ATOM 387 N ASP A 26 1.790 0.755 -0.042 1.00 0.08 N ATOM 388 CA ASP A 26 2.581 2.020 -0.081 1.00 0.08 C ATOM 389 C ASP A 26 4.071 1.681 -0.067 1.00 0.08 C ATOM 390 O ASP A 26 4.639 1.382 0.964 1.00 0.09 O ATOM 391 CB ASP A 26 2.242 2.865 1.150 1.00 0.09 C ATOM 392 CG ASP A 26 3.166 4.084 1.209 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.070 4.920 0.325 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.956 4.160 2.136 1.00 0.96 O ATOM 0 H ASP A 26 1.819 0.260 0.850 1.00 0.08 H new ATOM 0 HA ASP A 26 2.340 2.578 -0.986 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.202 3.187 1.107 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.354 2.268 2.055 1.00 0.09 H new ATOM 399 N PHE A 27 4.716 1.736 -1.200 1.00 0.08 N ATOM 400 CA PHE A 27 6.172 1.429 -1.240 1.00 0.09 C ATOM 401 C PHE A 27 6.930 2.707 -0.891 1.00 0.11 C ATOM 402 O PHE A 27 7.410 3.409 -1.762 1.00 0.13 O ATOM 403 CB PHE A 27 6.561 0.995 -2.654 1.00 0.10 C ATOM 404 CG PHE A 27 6.147 -0.440 -2.906 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.821 -0.745 -3.277 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.097 -1.471 -2.790 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.451 -2.083 -3.526 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.726 -2.805 -3.042 1.00 0.21 C ATOM 409 CZ PHE A 27 5.403 -3.111 -3.409 1.00 0.23 C ATOM 0 H PHE A 27 4.298 1.980 -2.098 1.00 0.08 H new ATOM 0 HA PHE A 27 6.411 0.631 -0.537 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.086 1.650 -3.384 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.638 1.097 -2.788 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.090 0.045 -3.370 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.113 -1.238 -2.507 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.435 -2.318 -3.807 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.458 -3.594 -2.954 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.119 -4.135 -3.601 1.00 0.23 H new ATOM 419 N SER A 28 7.020 3.019 0.379 1.00 0.11 N ATOM 420 CA SER A 28 7.731 4.260 0.819 1.00 0.12 C ATOM 421 C SER A 28 8.987 3.886 1.602 1.00 0.10 C ATOM 422 O SER A 28 9.035 2.873 2.271 1.00 0.11 O ATOM 423 CB SER A 28 6.806 5.075 1.722 1.00 0.17 C ATOM 424 OG SER A 28 5.702 5.542 0.962 1.00 1.03 O ATOM 0 H SER A 28 6.627 2.461 1.137 1.00 0.11 H new ATOM 0 HA SER A 28 8.010 4.845 -0.057 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.457 4.462 2.553 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.348 5.917 2.153 1.00 0.17 H new ATOM 0 HG SER A 28 5.114 6.077 1.535 1.00 1.03 H new ATOM 430 N ALA A 29 10.000 4.706 1.539 1.00 0.10 N ATOM 431 CA ALA A 29 11.250 4.410 2.295 1.00 0.15 C ATOM 432 C ALA A 29 11.162 5.084 3.671 1.00 0.18 C ATOM 433 O ALA A 29 10.870 6.258 3.782 1.00 0.26 O ATOM 434 CB ALA A 29 12.451 4.946 1.502 1.00 0.19 C ATOM 0 H ALA A 29 10.016 5.569 0.996 1.00 0.10 H new ATOM 0 HA ALA A 29 11.374 3.336 2.433 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.371 4.734 2.047 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.488 4.462 0.526 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.348 6.023 1.369 1.00 0.19 H new ATOM 440 N THR A 30 11.390 4.340 4.718 1.00 0.18 N ATOM 441 CA THR A 30 11.298 4.921 6.089 1.00 0.23 C ATOM 442 C THR A 30 12.394 5.969 6.305 1.00 0.26 C ATOM 443 O THR A 30 12.247 6.870 7.106 1.00 0.31 O ATOM 444 CB THR A 30 11.455 3.801 7.122 1.00 0.26 C ATOM 445 OG1 THR A 30 11.243 4.327 8.424 1.00 0.32 O ATOM 446 CG2 THR A 30 12.865 3.212 7.028 1.00 0.28 C ATOM 0 H THR A 30 11.637 3.351 4.684 1.00 0.18 H new ATOM 0 HA THR A 30 10.327 5.403 6.203 1.00 0.23 H new ATOM 0 HB THR A 30 10.724 3.017 6.924 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.342 3.611 9.086 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.976 2.415 7.763 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.025 2.808 6.028 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.599 3.993 7.225 1.00 0.28 H new ATOM 454 N TRP A 31 13.497 5.860 5.613 1.00 0.26 N ATOM 455 CA TRP A 31 14.599 6.852 5.802 1.00 0.32 C ATOM 456 C TRP A 31 14.400 8.040 4.864 1.00 0.32 C ATOM 457 O TRP A 31 15.034 9.066 5.005 1.00 0.36 O ATOM 458 CB TRP A 31 15.944 6.187 5.490 1.00 0.34 C ATOM 459 CG TRP A 31 16.013 5.824 4.042 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.709 4.610 3.529 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.410 6.658 2.916 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.892 4.643 2.158 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.320 5.883 1.728 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.834 8.002 2.808 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.640 6.425 0.475 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.157 8.550 1.551 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.059 7.764 0.385 1.00 0.40 C ATOM 0 H TRP A 31 13.684 5.129 4.926 1.00 0.26 H new ATOM 0 HA TRP A 31 14.588 7.201 6.834 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.760 6.864 5.743 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.068 5.294 6.103 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.377 3.754 4.097 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.730 3.848 1.540 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.911 8.613 3.695 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.565 5.818 -0.415 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.481 9.578 1.480 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.305 8.190 -0.576 1.00 0.40 H new ATOM 478 N CYS A 32 13.535 7.906 3.898 1.00 0.28 N ATOM 479 CA CYS A 32 13.309 9.021 2.933 1.00 0.30 C ATOM 480 C CYS A 32 12.126 9.878 3.391 1.00 0.31 C ATOM 481 O CYS A 32 11.041 9.390 3.638 1.00 0.29 O ATOM 482 CB CYS A 32 13.042 8.418 1.553 1.00 0.28 C ATOM 483 SG CYS A 32 13.544 9.592 0.270 1.00 0.32 S ATOM 0 H CYS A 32 12.973 7.071 3.734 1.00 0.28 H new ATOM 0 HA CYS A 32 14.188 9.664 2.885 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.592 7.484 1.441 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.984 8.179 1.448 1.00 0.28 H new ATOM 488 N GLY A 33 12.347 11.156 3.513 1.00 0.34 N ATOM 489 CA GLY A 33 11.273 12.084 3.964 1.00 0.36 C ATOM 490 C GLY A 33 10.132 12.168 2.934 1.00 0.35 C ATOM 491 O GLY A 33 9.003 11.894 3.271 1.00 0.33 O ATOM 0 H GLY A 33 13.242 11.605 3.316 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.876 11.746 4.921 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.693 13.077 4.126 1.00 0.36 H new ATOM 495 N PRO A 34 10.442 12.572 1.717 1.00 0.37 N ATOM 496 CA PRO A 34 9.419 12.727 0.661 1.00 0.38 C ATOM 497 C PRO A 34 8.467 11.528 0.628 1.00 0.35 C ATOM 498 O PRO A 34 7.296 11.666 0.334 1.00 0.36 O ATOM 499 CB PRO A 34 10.233 12.862 -0.644 1.00 0.42 C ATOM 500 CG PRO A 34 11.685 13.221 -0.224 1.00 0.44 C ATOM 501 CD PRO A 34 11.820 12.889 1.281 1.00 0.40 C ATOM 0 HA PRO A 34 8.774 13.590 0.826 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.212 11.932 -1.212 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.812 13.636 -1.285 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.407 12.652 -0.810 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.888 14.276 -0.405 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.491 12.045 1.442 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.228 13.732 1.838 1.00 0.40 H new ATOM 509 N ALA A 35 8.945 10.359 0.933 1.00 0.33 N ATOM 510 CA ALA A 35 8.047 9.174 0.924 1.00 0.32 C ATOM 511 C ALA A 35 7.213 9.182 2.210 1.00 0.39 C ATOM 512 O ALA A 35 6.001 9.265 2.183 1.00 0.81 O ATOM 513 CB ALA A 35 8.899 7.900 0.847 1.00 0.36 C ATOM 0 H ALA A 35 9.915 10.171 1.187 1.00 0.33 H new ATOM 0 HA ALA A 35 7.380 9.204 0.062 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.247 7.026 0.840 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.495 7.915 -0.066 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.561 7.852 1.712 1.00 0.36 H new ATOM 519 N LYS A 36 7.868 9.101 3.331 1.00 0.30 N ATOM 520 CA LYS A 36 7.156 9.107 4.639 1.00 0.28 C ATOM 521 C LYS A 36 6.374 10.411 4.817 1.00 0.24 C ATOM 522 O LYS A 36 5.516 10.517 5.672 1.00 0.25 O ATOM 523 CB LYS A 36 8.199 8.979 5.751 1.00 0.35 C ATOM 524 CG LYS A 36 7.509 8.939 7.119 1.00 0.38 C ATOM 525 CD LYS A 36 8.485 8.395 8.169 1.00 0.49 C ATOM 526 CE LYS A 36 7.953 8.693 9.571 1.00 1.22 C ATOM 527 NZ LYS A 36 8.048 10.155 9.840 1.00 1.92 N ATOM 0 H LYS A 36 8.883 9.030 3.399 1.00 0.30 H new ATOM 0 HA LYS A 36 6.451 8.277 4.677 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.788 8.073 5.605 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.892 9.820 5.709 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.176 9.938 7.400 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.621 8.309 7.072 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.612 7.320 8.039 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.467 8.851 8.038 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.917 8.364 9.656 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.526 8.138 10.314 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.068 10.318 10.867 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.918 10.531 9.412 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.224 10.638 9.429 1.00 1.92 H new ATOM 541 N MET A 37 6.666 11.407 4.032 1.00 0.23 N ATOM 542 CA MET A 37 5.942 12.702 4.174 1.00 0.24 C ATOM 543 C MET A 37 4.447 12.495 3.927 1.00 0.20 C ATOM 544 O MET A 37 3.621 13.238 4.419 1.00 0.20 O ATOM 545 CB MET A 37 6.485 13.715 3.157 1.00 0.29 C ATOM 546 CG MET A 37 5.977 15.121 3.492 1.00 1.31 C ATOM 547 SD MET A 37 6.978 15.820 4.829 1.00 2.12 S ATOM 548 CE MET A 37 8.215 16.635 3.789 1.00 3.13 C ATOM 0 H MET A 37 7.374 11.383 3.298 1.00 0.23 H new ATOM 0 HA MET A 37 6.094 13.080 5.185 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.575 13.702 3.166 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.171 13.436 2.151 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.032 15.759 2.610 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.930 15.080 3.791 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.946 17.139 4.421 1.00 3.13 H new ATOM 0 HE2 MET A 37 8.720 15.891 3.173 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.725 17.366 3.146 1.00 3.13 H new ATOM 558 N ILE A 38 4.089 11.508 3.145 1.00 0.18 N ATOM 559 CA ILE A 38 2.643 11.277 2.837 1.00 0.15 C ATOM 560 C ILE A 38 2.051 10.214 3.756 1.00 0.16 C ATOM 561 O ILE A 38 0.987 9.690 3.496 1.00 0.16 O ATOM 562 CB ILE A 38 2.496 10.817 1.380 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.234 11.811 0.467 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.000 10.745 0.988 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.313 11.264 -0.977 1.00 0.28 C ATOM 0 H ILE A 38 4.735 10.852 2.706 1.00 0.18 H new ATOM 0 HA ILE A 38 2.107 12.213 2.993 1.00 0.15 H new ATOM 0 HB ILE A 38 2.928 9.823 1.267 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.717 12.770 0.471 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.239 11.989 0.850 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.911 10.417 -0.048 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.487 10.036 1.638 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.547 11.731 1.097 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.838 11.980 -1.609 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.851 10.316 -0.978 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.305 11.110 -1.363 1.00 0.28 H new ATOM 577 N LYS A 39 2.706 9.882 4.836 1.00 0.19 N ATOM 578 CA LYS A 39 2.115 8.851 5.725 1.00 0.22 C ATOM 579 C LYS A 39 0.838 9.356 6.439 1.00 0.20 C ATOM 580 O LYS A 39 -0.036 8.562 6.697 1.00 0.21 O ATOM 581 CB LYS A 39 3.152 8.279 6.729 1.00 0.31 C ATOM 582 CG LYS A 39 3.384 9.186 7.963 1.00 0.34 C ATOM 583 CD LYS A 39 3.944 8.350 9.128 1.00 0.45 C ATOM 584 CE LYS A 39 2.893 7.346 9.642 1.00 1.16 C ATOM 585 NZ LYS A 39 3.172 6.009 9.051 1.00 1.62 N ATOM 0 H LYS A 39 3.601 10.270 5.133 1.00 0.19 H new ATOM 0 HA LYS A 39 1.810 8.026 5.081 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.816 7.299 7.067 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.101 8.131 6.214 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.079 9.987 7.711 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.447 9.658 8.260 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.835 7.814 8.800 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.250 9.010 9.940 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.925 7.291 10.730 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.891 7.677 9.369 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.312 5.645 8.593 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.931 6.093 8.345 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.469 5.353 9.801 1.00 1.62 H new ATOM 599 N PRO A 40 0.732 10.637 6.772 1.00 0.20 N ATOM 600 CA PRO A 40 -0.467 11.114 7.486 1.00 0.21 C ATOM 601 C PRO A 40 -1.712 10.921 6.613 1.00 0.17 C ATOM 602 O PRO A 40 -2.822 11.165 7.040 1.00 0.20 O ATOM 603 CB PRO A 40 -0.192 12.601 7.795 1.00 0.24 C ATOM 604 CG PRO A 40 1.256 12.909 7.318 1.00 0.25 C ATOM 605 CD PRO A 40 1.725 11.703 6.479 1.00 0.21 C ATOM 0 HA PRO A 40 -0.660 10.560 8.405 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.910 13.240 7.282 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.296 12.798 8.862 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.280 13.823 6.725 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.917 13.065 8.170 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.747 11.944 5.416 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.733 11.394 6.757 1.00 0.21 H new ATOM 613 N PHE A 41 -1.531 10.477 5.394 1.00 0.14 N ATOM 614 CA PHE A 41 -2.696 10.248 4.483 1.00 0.14 C ATOM 615 C PHE A 41 -2.890 8.742 4.290 1.00 0.11 C ATOM 616 O PHE A 41 -3.742 8.135 4.901 1.00 0.13 O ATOM 617 CB PHE A 41 -2.419 10.903 3.123 1.00 0.15 C ATOM 618 CG PHE A 41 -2.671 12.388 3.222 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.677 13.238 3.742 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.903 12.920 2.799 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.916 14.623 3.837 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.142 14.304 2.895 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.148 15.155 3.414 1.00 0.27 C ATOM 0 H PHE A 41 -0.620 10.262 4.988 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.595 10.684 4.919 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.388 10.717 2.820 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.060 10.464 2.358 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.732 12.829 4.068 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.665 12.267 2.401 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.154 15.277 4.235 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.088 14.713 2.571 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.331 16.217 3.488 1.00 0.27 H new ATOM 633 N PHE A 42 -2.105 8.147 3.435 1.00 0.10 N ATOM 634 CA PHE A 42 -2.233 6.682 3.168 1.00 0.11 C ATOM 635 C PHE A 42 -2.486 5.904 4.467 1.00 0.11 C ATOM 636 O PHE A 42 -3.451 5.176 4.582 1.00 0.12 O ATOM 637 CB PHE A 42 -0.940 6.189 2.515 1.00 0.13 C ATOM 638 CG PHE A 42 -0.980 4.687 2.364 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.693 4.116 1.299 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.296 3.861 3.280 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.727 2.721 1.145 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.333 2.462 3.126 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.049 1.893 2.057 1.00 0.10 C ATOM 0 H PHE A 42 -1.372 8.616 2.903 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.082 6.514 2.505 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.814 6.658 1.539 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.082 6.479 3.122 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.216 4.750 0.598 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.255 4.301 4.098 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.275 2.283 0.324 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.187 1.827 3.827 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.078 0.820 1.937 1.00 0.10 H new ATOM 653 N HIS A 43 -1.631 6.043 5.439 1.00 0.14 N ATOM 654 CA HIS A 43 -1.833 5.300 6.716 1.00 0.16 C ATOM 655 C HIS A 43 -3.094 5.810 7.434 1.00 0.16 C ATOM 656 O HIS A 43 -3.798 5.047 8.065 1.00 0.18 O ATOM 657 CB HIS A 43 -0.562 5.444 7.589 1.00 0.21 C ATOM 658 CG HIS A 43 -0.883 5.347 9.058 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.777 4.160 9.765 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.342 6.280 9.954 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.169 4.406 11.029 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.524 5.683 11.199 1.00 0.39 N ATOM 0 H HIS A 43 -0.802 6.637 5.407 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.990 4.240 6.516 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.154 4.667 7.321 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.085 6.402 7.383 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.533 7.319 9.728 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.194 3.662 11.811 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.857 6.125 12.056 1.00 0.39 H new ATOM 670 N SER A 44 -3.398 7.075 7.345 1.00 0.20 N ATOM 671 CA SER A 44 -4.623 7.583 8.031 1.00 0.25 C ATOM 672 C SER A 44 -5.874 6.953 7.406 1.00 0.20 C ATOM 673 O SER A 44 -6.841 6.675 8.087 1.00 0.21 O ATOM 674 CB SER A 44 -4.698 9.103 7.912 1.00 0.34 C ATOM 675 OG SER A 44 -4.772 9.466 6.542 1.00 0.97 O ATOM 0 H SER A 44 -2.859 7.774 6.833 1.00 0.20 H new ATOM 0 HA SER A 44 -4.574 7.310 9.085 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.571 9.478 8.446 1.00 0.34 H new ATOM 0 HB3 SER A 44 -3.822 9.559 8.373 1.00 0.34 H new ATOM 0 HG SER A 44 -4.524 8.698 5.986 1.00 0.97 H new ATOM 681 N LEU A 45 -5.869 6.724 6.118 1.00 0.18 N ATOM 682 CA LEU A 45 -7.069 6.110 5.469 1.00 0.18 C ATOM 683 C LEU A 45 -7.484 4.862 6.252 1.00 0.16 C ATOM 684 O LEU A 45 -8.580 4.360 6.102 1.00 0.23 O ATOM 685 CB LEU A 45 -6.738 5.705 4.027 1.00 0.19 C ATOM 686 CG LEU A 45 -6.364 6.937 3.189 1.00 0.26 C ATOM 687 CD1 LEU A 45 -5.936 6.478 1.790 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.567 7.892 3.072 1.00 0.50 C ATOM 0 H LEU A 45 -5.093 6.933 5.490 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.881 6.837 5.463 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -5.913 4.993 4.024 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.595 5.201 3.580 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.545 7.466 3.676 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.669 7.347 1.188 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.075 5.815 1.872 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.760 5.946 1.314 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.286 8.760 2.475 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.397 7.374 2.591 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.871 8.218 4.067 1.00 0.50 H new ATOM 700 N SER A 46 -6.618 4.357 7.085 1.00 0.20 N ATOM 701 CA SER A 46 -6.964 3.143 7.875 1.00 0.25 C ATOM 702 C SER A 46 -8.231 3.403 8.692 1.00 0.17 C ATOM 703 O SER A 46 -9.051 2.525 8.876 1.00 0.15 O ATOM 704 CB SER A 46 -5.811 2.805 8.821 1.00 0.36 C ATOM 705 OG SER A 46 -4.597 2.762 8.084 1.00 0.51 O ATOM 0 H SER A 46 -5.685 4.733 7.253 1.00 0.20 H new ATOM 0 HA SER A 46 -7.137 2.308 7.195 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.743 3.552 9.612 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.991 1.845 9.304 1.00 0.36 H new ATOM 0 HG SER A 46 -4.032 3.520 8.340 1.00 0.51 H new ATOM 711 N GLU A 47 -8.397 4.600 9.193 1.00 0.21 N ATOM 712 CA GLU A 47 -9.610 4.912 10.008 1.00 0.21 C ATOM 713 C GLU A 47 -10.706 5.497 9.116 1.00 0.18 C ATOM 714 O GLU A 47 -11.855 5.571 9.502 1.00 0.18 O ATOM 715 CB GLU A 47 -9.244 5.930 11.091 1.00 0.32 C ATOM 716 CG GLU A 47 -7.952 5.496 11.785 1.00 0.39 C ATOM 717 CD GLU A 47 -8.118 4.077 12.331 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.978 3.885 13.174 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.382 3.207 11.897 1.00 2.00 O ATOM 0 H GLU A 47 -7.745 5.375 9.073 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.976 3.994 10.469 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.117 6.918 10.648 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.052 6.008 11.819 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.120 5.532 11.082 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.714 6.184 12.596 1.00 0.39 H new ATOM 726 N LYS A 48 -10.367 5.914 7.926 1.00 0.18 N ATOM 727 CA LYS A 48 -11.400 6.494 7.016 1.00 0.17 C ATOM 728 C LYS A 48 -11.992 5.378 6.150 1.00 0.15 C ATOM 729 O LYS A 48 -13.094 5.486 5.652 1.00 0.18 O ATOM 730 CB LYS A 48 -10.750 7.556 6.120 1.00 0.21 C ATOM 731 CG LYS A 48 -11.831 8.467 5.529 1.00 0.26 C ATOM 732 CD LYS A 48 -11.176 9.542 4.655 1.00 1.09 C ATOM 733 CE LYS A 48 -12.176 10.671 4.390 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.338 10.136 3.625 1.00 2.16 N ATOM 0 H LYS A 48 -9.422 5.879 7.544 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.193 6.956 7.604 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.039 8.147 6.698 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.188 7.075 5.319 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.532 7.879 4.936 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.404 8.934 6.329 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.289 9.937 5.151 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.846 9.106 3.712 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.514 11.100 5.333 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.696 11.473 3.829 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.894 10.926 3.241 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.995 9.542 2.843 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.936 9.566 4.256 1.00 2.16 H new ATOM 748 N TYR A 49 -11.263 4.304 5.974 1.00 0.13 N ATOM 749 CA TYR A 49 -11.768 3.164 5.145 1.00 0.13 C ATOM 750 C TYR A 49 -11.472 1.844 5.861 1.00 0.11 C ATOM 751 O TYR A 49 -10.612 1.085 5.457 1.00 0.11 O ATOM 752 CB TYR A 49 -11.072 3.176 3.778 1.00 0.15 C ATOM 753 CG TYR A 49 -11.720 4.213 2.893 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.997 3.969 2.356 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.056 5.422 2.612 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.611 4.932 1.536 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.668 6.387 1.796 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.948 6.144 1.254 1.00 0.21 C ATOM 759 OH TYR A 49 -13.551 7.091 0.453 1.00 0.24 O ATOM 0 H TYR A 49 -10.334 4.166 6.371 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.844 3.266 5.003 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.012 3.397 3.900 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.141 2.192 3.314 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.506 3.042 2.574 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.075 5.607 3.024 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.591 4.743 1.122 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.159 7.315 1.583 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.959 7.867 0.361 1.00 0.24 H new ATOM 769 N SER A 50 -12.182 1.561 6.916 1.00 0.12 N ATOM 770 CA SER A 50 -11.946 0.287 7.647 1.00 0.13 C ATOM 771 C SER A 50 -12.365 -0.882 6.756 1.00 0.13 C ATOM 772 O SER A 50 -12.195 -2.034 7.099 1.00 0.14 O ATOM 773 CB SER A 50 -12.779 0.276 8.929 1.00 0.16 C ATOM 774 OG SER A 50 -14.160 0.224 8.591 1.00 0.17 O ATOM 0 H SER A 50 -12.914 2.156 7.303 1.00 0.12 H new ATOM 0 HA SER A 50 -10.890 0.196 7.902 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.510 -0.583 9.544 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.571 1.168 9.520 1.00 0.16 H new ATOM 0 HG SER A 50 -14.697 0.215 9.411 1.00 0.17 H new ATOM 780 N ASN A 51 -12.922 -0.587 5.609 1.00 0.13 N ATOM 781 CA ASN A 51 -13.369 -1.666 4.680 1.00 0.15 C ATOM 782 C ASN A 51 -12.295 -1.918 3.619 1.00 0.13 C ATOM 783 O ASN A 51 -12.448 -2.766 2.763 1.00 0.14 O ATOM 784 CB ASN A 51 -14.666 -1.226 3.999 1.00 0.17 C ATOM 785 CG ASN A 51 -15.277 -2.406 3.242 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.882 -2.702 2.132 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.232 -3.097 3.801 1.00 0.32 N ATOM 0 H ASN A 51 -13.087 0.362 5.275 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.536 -2.586 5.241 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.371 -0.855 4.743 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.466 -0.404 3.311 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.647 -3.886 3.306 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.563 -2.848 4.733 1.00 0.32 H new ATOM 794 N VAL A 52 -11.207 -1.188 3.672 1.00 0.11 N ATOM 795 CA VAL A 52 -10.105 -1.373 2.672 1.00 0.10 C ATOM 796 C VAL A 52 -8.847 -1.852 3.393 1.00 0.10 C ATOM 797 O VAL A 52 -8.601 -1.507 4.532 1.00 0.11 O ATOM 798 CB VAL A 52 -9.804 -0.037 1.995 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.681 -0.222 0.969 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.066 0.474 1.294 1.00 0.12 C ATOM 0 H VAL A 52 -11.033 -0.466 4.371 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.412 -2.106 1.926 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.488 0.688 2.745 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.468 0.732 0.487 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.784 -0.583 1.472 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.991 -0.947 0.217 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.853 1.427 0.810 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.384 -0.250 0.544 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.860 0.609 2.028 1.00 0.12 H new ATOM 810 N ILE A 53 -8.047 -2.653 2.739 1.00 0.09 N ATOM 811 CA ILE A 53 -6.800 -3.169 3.378 1.00 0.09 C ATOM 812 C ILE A 53 -5.605 -2.328 2.913 1.00 0.09 C ATOM 813 O ILE A 53 -5.417 -2.098 1.735 1.00 0.14 O ATOM 814 CB ILE A 53 -6.581 -4.623 2.951 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.908 -5.411 3.016 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.520 -5.272 3.845 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.631 -5.212 4.357 1.00 0.17 C ATOM 0 H ILE A 53 -8.205 -2.974 1.784 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.894 -3.109 4.462 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.228 -4.641 1.920 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.559 -5.092 2.202 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.707 -6.472 2.866 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.368 -6.306 3.537 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.582 -4.724 3.753 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.854 -5.248 4.882 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.559 -5.784 4.359 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.991 -5.556 5.170 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.857 -4.155 4.495 1.00 0.17 H new ATOM 829 N PHE A 54 -4.794 -1.874 3.837 1.00 0.08 N ATOM 830 CA PHE A 54 -3.597 -1.047 3.481 1.00 0.08 C ATOM 831 C PHE A 54 -2.332 -1.780 3.924 1.00 0.08 C ATOM 832 O PHE A 54 -2.238 -2.257 5.037 1.00 0.11 O ATOM 833 CB PHE A 54 -3.675 0.295 4.208 1.00 0.08 C ATOM 834 CG PHE A 54 -4.921 1.027 3.769 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.011 1.527 2.457 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.993 1.204 4.664 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.170 2.207 2.040 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.153 1.884 4.247 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.241 2.386 2.935 1.00 0.09 C ATOM 0 H PHE A 54 -4.912 -2.043 4.836 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.573 -0.882 2.404 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.693 0.137 5.286 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.791 0.893 3.988 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.190 1.389 1.769 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.926 0.818 5.670 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.238 2.592 1.033 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.975 2.020 4.934 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.130 2.909 2.615 1.00 0.09 H new ATOM 849 N LEU A 55 -1.358 -1.874 3.058 1.00 0.08 N ATOM 850 CA LEU A 55 -0.080 -2.573 3.404 1.00 0.09 C ATOM 851 C LEU A 55 1.053 -1.545 3.428 1.00 0.09 C ATOM 852 O LEU A 55 0.884 -0.407 3.038 1.00 0.10 O ATOM 853 CB LEU A 55 0.232 -3.641 2.339 1.00 0.10 C ATOM 854 CG LEU A 55 -0.551 -4.935 2.609 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.047 -4.637 2.799 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.357 -5.879 1.417 1.00 0.12 C ATOM 0 H LEU A 55 -1.392 -1.492 2.113 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.176 -3.052 4.379 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.021 -3.258 1.350 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.301 -3.853 2.334 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.180 -5.398 3.523 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.582 -5.567 2.989 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.179 -3.963 3.645 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.442 -4.169 1.897 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.907 -6.804 1.592 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.729 -5.402 0.511 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.703 -6.104 1.300 1.00 0.12 H new ATOM 868 N GLU A 56 2.212 -1.947 3.870 1.00 0.09 N ATOM 869 CA GLU A 56 3.379 -1.016 3.915 1.00 0.09 C ATOM 870 C GLU A 56 4.624 -1.811 3.520 1.00 0.09 C ATOM 871 O GLU A 56 4.785 -2.948 3.914 1.00 0.10 O ATOM 872 CB GLU A 56 3.532 -0.455 5.334 1.00 0.09 C ATOM 873 CG GLU A 56 4.456 0.766 5.310 1.00 0.11 C ATOM 874 CD GLU A 56 4.452 1.435 6.687 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.465 1.293 7.390 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.436 2.077 7.015 1.00 1.31 O ATOM 0 H GLU A 56 2.404 -2.891 4.206 1.00 0.09 H new ATOM 0 HA GLU A 56 3.236 -0.180 3.230 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.556 -0.177 5.733 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.940 -1.219 5.995 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.469 0.464 5.043 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.123 1.472 4.549 1.00 0.11 H new ATOM 883 N VAL A 57 5.486 -1.242 2.714 1.00 0.08 N ATOM 884 CA VAL A 57 6.699 -1.995 2.258 1.00 0.08 C ATOM 885 C VAL A 57 7.946 -1.107 2.314 1.00 0.09 C ATOM 886 O VAL A 57 7.914 0.058 1.964 1.00 0.14 O ATOM 887 CB VAL A 57 6.475 -2.448 0.813 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.631 -3.345 0.375 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.162 -3.230 0.714 1.00 0.09 C ATOM 0 H VAL A 57 5.404 -0.292 2.352 1.00 0.08 H new ATOM 0 HA VAL A 57 6.853 -2.851 2.915 1.00 0.08 H new ATOM 0 HB VAL A 57 6.425 -1.572 0.166 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.472 -3.668 -0.654 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.567 -2.790 0.440 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.681 -4.218 1.025 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.006 -3.551 -0.316 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.209 -4.104 1.363 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.334 -2.592 1.025 1.00 0.09 H new ATOM 899 N ASP A 58 9.054 -1.668 2.740 1.00 0.09 N ATOM 900 CA ASP A 58 10.332 -0.894 2.815 1.00 0.09 C ATOM 901 C ASP A 58 11.189 -1.236 1.587 1.00 0.10 C ATOM 902 O ASP A 58 11.810 -2.278 1.522 1.00 0.11 O ATOM 903 CB ASP A 58 11.085 -1.281 4.095 1.00 0.11 C ATOM 904 CG ASP A 58 12.134 -0.214 4.420 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.744 0.920 4.646 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.306 -0.548 4.439 1.00 1.06 O ATOM 0 H ASP A 58 9.126 -2.640 3.042 1.00 0.09 H new ATOM 0 HA ASP A 58 10.123 0.176 2.832 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.385 -1.381 4.924 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.566 -2.250 3.966 1.00 0.11 H new ATOM 911 N VAL A 59 11.211 -0.373 0.611 1.00 0.12 N ATOM 912 CA VAL A 59 12.005 -0.646 -0.625 1.00 0.15 C ATOM 913 C VAL A 59 13.495 -0.797 -0.299 1.00 0.18 C ATOM 914 O VAL A 59 14.299 -1.047 -1.178 1.00 0.27 O ATOM 915 CB VAL A 59 11.826 0.519 -1.599 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.404 0.508 -2.153 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.073 1.838 -0.865 1.00 0.22 C ATOM 0 H VAL A 59 10.711 0.516 0.614 1.00 0.12 H new ATOM 0 HA VAL A 59 11.649 -1.576 -1.068 1.00 0.15 H new ATOM 0 HB VAL A 59 12.537 0.418 -2.419 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.278 1.339 -2.847 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.224 -0.432 -2.675 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.693 0.609 -1.333 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.946 2.670 -1.558 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.362 1.937 -0.045 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.088 1.849 -0.468 1.00 0.22 H new ATOM 927 N ASP A 60 13.880 -0.632 0.942 1.00 0.16 N ATOM 928 CA ASP A 60 15.330 -0.745 1.313 1.00 0.18 C ATOM 929 C ASP A 60 15.581 -2.027 2.110 1.00 0.17 C ATOM 930 O ASP A 60 16.542 -2.732 1.873 1.00 0.18 O ATOM 931 CB ASP A 60 15.717 0.462 2.167 1.00 0.21 C ATOM 932 CG ASP A 60 15.241 1.745 1.482 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.565 1.928 0.320 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.561 2.524 2.131 1.00 1.08 O ATOM 0 H ASP A 60 13.253 -0.423 1.719 1.00 0.16 H new ATOM 0 HA ASP A 60 15.930 -0.775 0.403 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.270 0.378 3.158 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.798 0.491 2.306 1.00 0.21 H new ATOM 939 N ASP A 61 14.737 -2.333 3.060 1.00 0.17 N ATOM 940 CA ASP A 61 14.941 -3.568 3.878 1.00 0.17 C ATOM 941 C ASP A 61 14.115 -4.713 3.278 1.00 0.16 C ATOM 942 O ASP A 61 14.463 -5.870 3.405 1.00 0.18 O ATOM 943 CB ASP A 61 14.505 -3.286 5.324 1.00 0.19 C ATOM 944 CG ASP A 61 14.297 -4.598 6.088 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.261 -5.331 6.241 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.178 -4.846 6.504 1.00 1.12 O ATOM 0 H ASP A 61 13.915 -1.782 3.306 1.00 0.17 H new ATOM 0 HA ASP A 61 15.992 -3.856 3.875 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.260 -2.682 5.826 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.581 -2.707 5.325 1.00 0.19 H new ATOM 951 N ALA A 62 13.037 -4.396 2.605 1.00 0.16 N ATOM 952 CA ALA A 62 12.192 -5.456 1.969 1.00 0.16 C ATOM 953 C ALA A 62 12.450 -5.436 0.462 1.00 0.16 C ATOM 954 O ALA A 62 11.548 -5.565 -0.341 1.00 0.15 O ATOM 955 CB ALA A 62 10.715 -5.173 2.243 1.00 0.17 C ATOM 0 H ALA A 62 12.703 -3.442 2.467 1.00 0.16 H new ATOM 0 HA ALA A 62 12.444 -6.433 2.381 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.104 -5.947 1.778 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.539 -5.169 3.319 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.448 -4.201 1.828 1.00 0.17 H new ATOM 961 N GLN A 63 13.686 -5.262 0.081 1.00 0.20 N ATOM 962 CA GLN A 63 14.036 -5.217 -1.367 1.00 0.22 C ATOM 963 C GLN A 63 13.501 -6.463 -2.077 1.00 0.20 C ATOM 964 O GLN A 63 13.409 -6.503 -3.287 1.00 0.20 O ATOM 965 CB GLN A 63 15.559 -5.150 -1.525 1.00 0.29 C ATOM 966 CG GLN A 63 16.224 -6.262 -0.707 1.00 0.90 C ATOM 967 CD GLN A 63 17.728 -6.000 -0.616 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.163 -4.866 -0.665 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.548 -7.007 -0.483 1.00 2.22 N ATOM 0 H GLN A 63 14.475 -5.148 0.717 1.00 0.20 H new ATOM 0 HA GLN A 63 13.583 -4.332 -1.814 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.828 -5.251 -2.576 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.924 -4.177 -1.195 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.790 -6.302 0.292 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.040 -7.230 -1.173 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.184 -7.959 -0.442 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.553 -6.842 -0.420 1.00 2.22 H new ATOM 978 N ASP A 64 13.138 -7.478 -1.342 1.00 0.19 N ATOM 979 CA ASP A 64 12.604 -8.704 -1.995 1.00 0.20 C ATOM 980 C ASP A 64 11.223 -8.393 -2.571 1.00 0.17 C ATOM 981 O ASP A 64 10.854 -8.869 -3.627 1.00 0.19 O ATOM 982 CB ASP A 64 12.496 -9.829 -0.960 1.00 0.22 C ATOM 983 CG ASP A 64 11.995 -9.254 0.368 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.761 -8.561 1.016 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.855 -9.518 0.713 1.00 1.09 O ATOM 0 H ASP A 64 13.188 -7.511 -0.324 1.00 0.19 H new ATOM 0 HA ASP A 64 13.272 -9.022 -2.795 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.813 -10.600 -1.315 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.467 -10.303 -0.820 1.00 0.22 H new ATOM 990 N VAL A 65 10.463 -7.584 -1.890 1.00 0.15 N ATOM 991 CA VAL A 65 9.114 -7.223 -2.395 1.00 0.16 C ATOM 992 C VAL A 65 9.272 -6.225 -3.542 1.00 0.16 C ATOM 993 O VAL A 65 8.701 -6.381 -4.603 1.00 0.19 O ATOM 994 CB VAL A 65 8.308 -6.580 -1.266 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.843 -6.450 -1.689 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.398 -7.449 -0.010 1.00 0.18 C ATOM 0 H VAL A 65 10.721 -7.156 -1.001 1.00 0.15 H new ATOM 0 HA VAL A 65 8.594 -8.114 -2.747 1.00 0.16 H new ATOM 0 HB VAL A 65 8.714 -5.591 -1.054 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.271 -5.991 -0.883 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.776 -5.827 -2.581 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.438 -7.438 -1.905 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.823 -6.988 0.793 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.995 -8.439 -0.223 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.440 -7.539 0.296 1.00 0.18 H new ATOM 1006 N ALA A 66 10.057 -5.201 -3.335 1.00 0.16 N ATOM 1007 CA ALA A 66 10.271 -4.189 -4.406 1.00 0.18 C ATOM 1008 C ALA A 66 10.944 -4.860 -5.603 1.00 0.19 C ATOM 1009 O ALA A 66 10.717 -4.497 -6.741 1.00 0.20 O ATOM 1010 CB ALA A 66 11.174 -3.071 -3.881 1.00 0.22 C ATOM 0 H ALA A 66 10.560 -5.023 -2.466 1.00 0.16 H new ATOM 0 HA ALA A 66 9.312 -3.769 -4.708 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.330 -2.331 -4.666 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.702 -2.595 -3.022 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.135 -3.490 -3.581 1.00 0.22 H new ATOM 1016 N SER A 67 11.771 -5.838 -5.354 1.00 0.21 N ATOM 1017 CA SER A 67 12.459 -6.534 -6.476 1.00 0.26 C ATOM 1018 C SER A 67 11.415 -7.222 -7.356 1.00 0.26 C ATOM 1019 O SER A 67 11.418 -7.089 -8.564 1.00 0.29 O ATOM 1020 CB SER A 67 13.421 -7.582 -5.914 1.00 0.31 C ATOM 1021 OG SER A 67 14.547 -6.927 -5.343 1.00 1.29 O ATOM 0 H SER A 67 11.999 -6.185 -4.422 1.00 0.21 H new ATOM 0 HA SER A 67 13.019 -5.810 -7.068 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.917 -8.188 -5.161 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.742 -8.259 -6.705 1.00 0.31 H new ATOM 0 HG SER A 67 14.252 -6.352 -4.606 1.00 1.29 H new ATOM 1027 N GLU A 68 10.519 -7.956 -6.757 1.00 0.26 N ATOM 1028 CA GLU A 68 9.471 -8.654 -7.552 1.00 0.30 C ATOM 1029 C GLU A 68 8.566 -7.618 -8.228 1.00 0.31 C ATOM 1030 O GLU A 68 8.105 -7.813 -9.336 1.00 0.36 O ATOM 1031 CB GLU A 68 8.634 -9.535 -6.619 1.00 0.31 C ATOM 1032 CG GLU A 68 7.753 -10.485 -7.441 1.00 0.39 C ATOM 1033 CD GLU A 68 6.594 -9.702 -8.064 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.128 -8.767 -7.432 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.192 -10.051 -9.161 1.00 2.19 O ATOM 0 H GLU A 68 10.467 -8.103 -5.749 1.00 0.26 H new ATOM 0 HA GLU A 68 9.942 -9.273 -8.315 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.289 -10.109 -5.964 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.011 -8.911 -5.979 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.345 -10.961 -8.223 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.367 -11.281 -6.804 1.00 0.39 H new ATOM 1042 N ALA A 69 8.301 -6.519 -7.567 1.00 0.29 N ATOM 1043 CA ALA A 69 7.417 -5.475 -8.170 1.00 0.31 C ATOM 1044 C ALA A 69 8.252 -4.512 -9.020 1.00 0.29 C ATOM 1045 O ALA A 69 7.735 -3.579 -9.603 1.00 0.33 O ATOM 1046 CB ALA A 69 6.716 -4.699 -7.049 1.00 0.31 C ATOM 0 H ALA A 69 8.658 -6.300 -6.637 1.00 0.29 H new ATOM 0 HA ALA A 69 6.672 -5.954 -8.806 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.070 -3.936 -7.483 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.116 -5.385 -6.452 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.463 -4.223 -6.414 1.00 0.31 H new ATOM 1052 N GLU A 70 9.536 -4.731 -9.101 1.00 0.27 N ATOM 1053 CA GLU A 70 10.403 -3.830 -9.918 1.00 0.29 C ATOM 1054 C GLU A 70 10.064 -2.363 -9.630 1.00 0.25 C ATOM 1055 O GLU A 70 9.845 -1.580 -10.533 1.00 0.26 O ATOM 1056 CB GLU A 70 10.176 -4.120 -11.404 1.00 0.38 C ATOM 1057 CG GLU A 70 10.506 -5.585 -11.696 1.00 1.18 C ATOM 1058 CD GLU A 70 10.332 -5.856 -13.192 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.383 -5.344 -13.761 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.152 -6.572 -13.744 1.00 2.34 O ATOM 0 H GLU A 70 10.025 -5.496 -8.636 1.00 0.27 H new ATOM 0 HA GLU A 70 11.446 -4.010 -9.659 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.141 -3.909 -11.672 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.802 -3.467 -12.012 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.529 -5.807 -11.391 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.853 -6.239 -11.118 1.00 1.18 H new ATOM 1067 N VAL A 71 10.029 -1.982 -8.383 1.00 0.22 N ATOM 1068 CA VAL A 71 9.718 -0.562 -8.043 1.00 0.19 C ATOM 1069 C VAL A 71 10.978 0.281 -8.237 1.00 0.23 C ATOM 1070 O VAL A 71 12.046 -0.077 -7.781 1.00 0.28 O ATOM 1071 CB VAL A 71 9.254 -0.474 -6.589 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.666 0.912 -6.331 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.178 -1.533 -6.336 1.00 0.19 C ATOM 0 H VAL A 71 10.202 -2.591 -7.584 1.00 0.22 H new ATOM 0 HA VAL A 71 8.925 -0.190 -8.692 1.00 0.19 H new ATOM 0 HB VAL A 71 10.100 -0.644 -5.923 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.334 0.979 -5.295 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.426 1.670 -6.518 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.818 1.077 -6.995 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.845 -1.473 -5.300 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.332 -1.358 -7.000 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.590 -2.524 -6.528 1.00 0.19 H new ATOM 1083 N LYS A 72 10.867 1.394 -8.926 1.00 0.24 N ATOM 1084 CA LYS A 72 12.062 2.265 -9.171 1.00 0.29 C ATOM 1085 C LYS A 72 11.738 3.722 -8.815 1.00 0.26 C ATOM 1086 O LYS A 72 12.536 4.612 -9.030 1.00 0.27 O ATOM 1087 CB LYS A 72 12.451 2.178 -10.649 1.00 0.35 C ATOM 1088 CG LYS A 72 12.645 0.709 -11.037 1.00 0.43 C ATOM 1089 CD LYS A 72 13.150 0.617 -12.478 1.00 1.16 C ATOM 1090 CE LYS A 72 13.419 -0.848 -12.831 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.308 -1.454 -11.800 1.00 2.40 N ATOM 0 H LYS A 72 9.996 1.737 -9.331 1.00 0.24 H new ATOM 0 HA LYS A 72 12.888 1.924 -8.547 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.676 2.630 -11.268 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.369 2.738 -10.829 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.357 0.236 -10.361 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.703 0.169 -10.937 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.412 1.037 -13.161 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.061 1.203 -12.594 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.480 -1.398 -12.885 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.885 -0.916 -13.814 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.899 -2.188 -12.239 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.918 -0.717 -11.391 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.728 -1.880 -11.049 1.00 2.40 H new ATOM 1105 N ALA A 73 10.582 3.973 -8.258 1.00 0.22 N ATOM 1106 CA ALA A 73 10.222 5.378 -7.875 1.00 0.20 C ATOM 1107 C ALA A 73 9.260 5.332 -6.685 1.00 0.18 C ATOM 1108 O ALA A 73 8.195 4.764 -6.776 1.00 0.16 O ATOM 1109 CB ALA A 73 9.554 6.091 -9.074 1.00 0.21 C ATOM 0 H ALA A 73 9.871 3.271 -8.051 1.00 0.22 H new ATOM 0 HA ALA A 73 11.119 5.931 -7.598 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.294 7.111 -8.792 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.246 6.113 -9.916 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.651 5.552 -9.360 1.00 0.21 H new ATOM 1115 N THR A 74 9.623 5.932 -5.576 1.00 0.18 N ATOM 1116 CA THR A 74 8.719 5.922 -4.377 1.00 0.17 C ATOM 1117 C THR A 74 8.132 7.332 -4.188 1.00 0.17 C ATOM 1118 O THR A 74 8.787 8.299 -4.527 1.00 0.19 O ATOM 1119 CB THR A 74 9.538 5.558 -3.122 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.690 6.382 -3.067 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.988 4.082 -3.151 1.00 0.19 C ATOM 0 H THR A 74 10.505 6.428 -5.447 1.00 0.18 H new ATOM 0 HA THR A 74 7.922 5.193 -4.524 1.00 0.17 H new ATOM 0 HB THR A 74 8.906 5.711 -2.247 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.215 6.158 -2.271 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.563 3.859 -2.252 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.112 3.435 -3.191 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.608 3.908 -4.030 1.00 0.19 H new ATOM 1129 N PRO A 75 6.937 7.441 -3.631 1.00 0.17 N ATOM 1130 CA PRO A 75 6.092 6.301 -3.198 1.00 0.16 C ATOM 1131 C PRO A 75 5.408 5.660 -4.413 1.00 0.14 C ATOM 1132 O PRO A 75 4.975 6.344 -5.320 1.00 0.14 O ATOM 1133 CB PRO A 75 5.039 6.941 -2.265 1.00 0.17 C ATOM 1134 CG PRO A 75 5.126 8.482 -2.461 1.00 0.20 C ATOM 1135 CD PRO A 75 6.349 8.764 -3.362 1.00 0.19 C ATOM 0 HA PRO A 75 6.665 5.515 -2.705 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.040 6.578 -2.507 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.232 6.674 -1.226 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.214 8.863 -2.921 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.232 8.986 -1.500 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.052 9.259 -4.286 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.063 9.420 -2.864 1.00 0.19 H new ATOM 1143 N THR A 76 5.289 4.353 -4.422 1.00 0.13 N ATOM 1144 CA THR A 76 4.607 3.659 -5.565 1.00 0.12 C ATOM 1145 C THR A 76 3.337 3.009 -5.030 1.00 0.12 C ATOM 1146 O THR A 76 3.393 2.111 -4.214 1.00 0.18 O ATOM 1147 CB THR A 76 5.518 2.561 -6.149 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.859 3.015 -6.140 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.102 2.251 -7.592 1.00 0.13 C ATOM 0 H THR A 76 5.634 3.735 -3.687 1.00 0.13 H new ATOM 0 HA THR A 76 4.381 4.382 -6.349 1.00 0.12 H new ATOM 0 HB THR A 76 5.426 1.658 -5.545 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.955 3.763 -6.766 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.750 1.474 -7.999 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.068 1.906 -7.606 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.192 3.152 -8.198 1.00 0.13 H new ATOM 1157 N PHE A 77 2.192 3.439 -5.478 1.00 0.09 N ATOM 1158 CA PHE A 77 0.934 2.816 -4.980 1.00 0.09 C ATOM 1159 C PHE A 77 0.554 1.673 -5.899 1.00 0.09 C ATOM 1160 O PHE A 77 0.310 1.853 -7.076 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.192 3.843 -4.951 1.00 0.10 C ATOM 1162 CG PHE A 77 0.093 4.833 -3.859 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.163 4.481 -2.523 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.616 6.102 -4.170 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.102 5.401 -1.493 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.882 7.023 -3.142 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.626 6.674 -1.803 1.00 0.12 C ATOM 0 H PHE A 77 2.072 4.187 -6.161 1.00 0.09 H new ATOM 0 HA PHE A 77 1.093 2.445 -3.967 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.266 4.351 -5.913 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.149 3.351 -4.776 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.563 3.506 -2.288 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.813 6.368 -5.198 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.095 5.133 -0.465 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.282 7.997 -3.380 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.831 7.381 -1.012 1.00 0.12 H new ATOM 1177 N GLN A 78 0.507 0.492 -5.357 1.00 0.07 N ATOM 1178 CA GLN A 78 0.151 -0.709 -6.155 1.00 0.07 C ATOM 1179 C GLN A 78 -1.139 -1.283 -5.584 1.00 0.06 C ATOM 1180 O GLN A 78 -1.298 -1.408 -4.386 1.00 0.07 O ATOM 1181 CB GLN A 78 1.290 -1.722 -6.036 1.00 0.08 C ATOM 1182 CG GLN A 78 2.631 -1.012 -6.281 1.00 0.12 C ATOM 1183 CD GLN A 78 3.704 -2.040 -6.653 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.720 -1.695 -7.222 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.518 -3.297 -6.355 1.00 1.03 N ATOM 0 H GLN A 78 0.705 0.305 -4.374 1.00 0.07 H new ATOM 0 HA GLN A 78 0.005 -0.464 -7.207 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.283 -2.179 -5.047 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.154 -2.526 -6.759 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.524 -0.279 -7.081 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.932 -0.466 -5.387 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.665 -3.587 -5.877 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.226 -3.989 -6.600 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.076 -1.596 -6.435 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.390 -2.124 -5.966 1.00 0.07 C ATOM 1196 C PHE A 79 -3.488 -3.609 -6.291 1.00 0.07 C ATOM 1197 O PHE A 79 -3.304 -4.025 -7.417 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.507 -1.357 -6.682 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.467 0.097 -6.256 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.398 0.919 -6.655 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.485 0.624 -5.447 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.347 2.265 -6.251 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.436 1.967 -5.035 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.368 2.788 -5.438 1.00 0.11 C ATOM 0 H PHE A 79 -1.987 -1.508 -7.447 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.485 -1.994 -4.888 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.383 -1.435 -7.762 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.476 -1.793 -6.440 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.612 0.514 -7.275 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.308 -0.004 -5.140 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.527 2.894 -6.564 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.219 2.368 -4.409 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.332 3.820 -5.123 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.780 -4.409 -5.298 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.898 -5.882 -5.505 1.00 0.08 C ATOM 1216 C PHE A 80 -5.283 -6.332 -5.053 1.00 0.11 C ATOM 1217 O PHE A 80 -5.940 -5.674 -4.270 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.840 -6.602 -4.661 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.480 -6.453 -5.299 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.056 -7.369 -6.280 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.631 -5.403 -4.904 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.218 -7.233 -6.866 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.641 -5.268 -5.490 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.066 -6.182 -6.471 1.00 0.14 C ATOM 0 H PHE A 80 -3.944 -4.099 -4.340 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.749 -6.120 -6.558 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.825 -6.189 -3.653 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.094 -7.658 -4.569 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.707 -8.176 -6.583 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.956 -4.700 -4.151 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.544 -7.936 -7.619 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.292 -4.462 -5.186 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.042 -6.077 -6.921 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.729 -7.454 -5.535 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.065 -7.964 -5.135 1.00 0.14 C ATOM 1236 C LYS A 81 -7.033 -9.479 -5.316 1.00 0.14 C ATOM 1237 O LYS A 81 -6.724 -9.962 -6.380 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.135 -7.328 -6.040 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.513 -7.383 -5.370 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.481 -6.472 -6.131 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.845 -6.472 -5.439 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.581 -7.719 -5.795 1.00 1.48 N ATOM 0 H LYS A 81 -5.221 -8.044 -6.194 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.304 -7.714 -4.101 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.870 -6.292 -6.253 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.168 -7.852 -6.995 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.887 -8.407 -5.364 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.438 -7.065 -4.330 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.084 -5.458 -6.172 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.585 -6.816 -7.160 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.717 -6.408 -4.358 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.420 -5.598 -5.744 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.515 -7.473 -6.180 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.041 -8.249 -6.508 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.701 -8.306 -4.945 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.304 -10.228 -4.282 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.243 -11.715 -4.402 1.00 0.20 C ATOM 1258 C LYS A 82 -5.840 -12.132 -4.846 1.00 0.20 C ATOM 1259 O LYS A 82 -5.663 -13.147 -5.489 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.249 -12.220 -5.443 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.673 -11.796 -5.064 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.694 -12.552 -5.944 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.939 -11.687 -6.177 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.313 -10.996 -4.913 1.00 1.67 N ATOM 0 H LYS A 82 -7.565 -9.877 -3.361 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.484 -12.146 -3.430 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -7.994 -11.823 -6.426 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.193 -13.306 -5.514 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.858 -12.009 -4.011 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.790 -10.720 -5.197 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.239 -12.811 -6.900 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.978 -13.487 -5.462 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.743 -10.954 -6.959 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.766 -12.308 -6.522 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -13.337 -10.816 -4.906 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.061 -11.596 -4.102 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -11.802 -10.093 -4.847 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.843 -11.364 -4.513 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.459 -11.728 -4.926 1.00 0.21 C ATOM 1280 C GLY A 83 -3.237 -11.328 -6.385 1.00 0.19 C ATOM 1281 O GLY A 83 -2.194 -11.584 -6.951 1.00 0.22 O ATOM 0 H GLY A 83 -4.925 -10.502 -3.974 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.734 -11.225 -4.286 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.302 -12.800 -4.804 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.217 -10.708 -6.999 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.075 -10.294 -8.435 1.00 0.17 C ATOM 1287 C GLN A 84 -3.891 -8.774 -8.536 1.00 0.16 C ATOM 1288 O GLN A 84 -4.447 -8.017 -7.768 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.344 -10.702 -9.199 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.289 -12.196 -9.532 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.356 -12.403 -10.725 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.292 -13.476 -11.290 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.628 -11.399 -11.132 1.00 2.08 N ATOM 0 H GLN A 84 -5.111 -10.470 -6.569 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.201 -10.784 -8.864 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.227 -10.486 -8.598 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.432 -10.118 -10.115 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.931 -12.761 -8.671 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.287 -12.567 -9.765 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.686 -10.500 -10.654 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.001 -11.513 -11.929 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.115 -8.327 -9.492 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.889 -6.858 -9.661 1.00 0.17 C ATOM 1304 C LYS A 85 -4.012 -6.267 -10.518 1.00 0.16 C ATOM 1305 O LYS A 85 -4.466 -6.881 -11.464 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.542 -6.624 -10.354 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.365 -5.126 -10.646 1.00 0.25 C ATOM 1308 CD LYS A 85 0.118 -4.809 -10.879 1.00 0.30 C ATOM 1309 CE LYS A 85 0.647 -5.601 -12.083 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.059 -6.963 -11.640 1.00 1.70 N ATOM 0 H LYS A 85 -2.627 -8.918 -10.165 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.883 -6.376 -8.684 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.729 -6.980 -9.721 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.495 -7.194 -11.282 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.947 -4.847 -11.524 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.745 -4.537 -9.811 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.246 -3.741 -11.053 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.695 -5.059 -9.989 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.124 -5.674 -12.851 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.494 -5.081 -12.530 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.003 -7.180 -12.018 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.086 -6.997 -10.601 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 0.376 -7.664 -11.991 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.471 -5.081 -10.185 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.579 -4.438 -10.968 1.00 0.16 C ATOM 1326 C VAL A 86 -5.154 -3.041 -11.441 1.00 0.18 C ATOM 1327 O VAL A 86 -5.708 -2.506 -12.381 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.821 -4.318 -10.075 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.481 -5.691 -9.930 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.412 -3.803 -8.692 1.00 0.17 C ATOM 0 H VAL A 86 -4.124 -4.528 -9.401 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.804 -5.052 -11.840 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.525 -3.621 -10.529 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.363 -5.605 -9.296 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.775 -6.059 -10.913 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.775 -6.388 -9.478 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.296 -3.718 -8.059 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.706 -4.499 -8.239 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.943 -2.824 -8.792 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.182 -2.441 -10.807 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.748 -1.080 -11.245 1.00 0.18 C ATOM 1342 C GLY A 87 -2.587 -0.591 -10.376 1.00 0.10 C ATOM 1343 O GLY A 87 -2.172 -1.253 -9.445 1.00 0.08 O ATOM 0 H GLY A 87 -3.673 -2.829 -10.012 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.443 -1.107 -12.291 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.583 -0.383 -11.174 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.059 0.570 -10.674 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.925 1.105 -9.866 1.00 0.10 C ATOM 1349 C GLU A 88 -0.581 2.524 -10.316 1.00 0.10 C ATOM 1350 O GLU A 88 -0.837 2.912 -11.439 1.00 0.11 O ATOM 1351 CB GLU A 88 0.300 0.209 -10.056 1.00 0.17 C ATOM 1352 CG GLU A 88 0.517 -0.054 -11.548 1.00 0.25 C ATOM 1353 CD GLU A 88 1.917 -0.629 -11.769 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.874 0.049 -11.429 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.010 -1.736 -12.271 1.00 2.04 O ATOM 0 H GLU A 88 -2.365 1.168 -11.441 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.216 1.122 -8.816 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.182 0.686 -9.628 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.159 -0.734 -9.527 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.236 -0.750 -11.918 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.400 0.872 -12.112 1.00 0.25 H new ATOM 1362 N PHE A 89 0.021 3.296 -9.450 1.00 0.09 N ATOM 1363 CA PHE A 89 0.404 4.682 -9.835 1.00 0.09 C ATOM 1364 C PHE A 89 1.327 5.286 -8.770 1.00 0.09 C ATOM 1365 O PHE A 89 1.048 5.241 -7.591 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.852 5.559 -10.035 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.418 6.043 -8.711 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.767 7.067 -7.990 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.606 5.480 -8.207 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.303 7.519 -6.771 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.140 5.936 -6.987 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.489 6.955 -6.269 1.00 0.11 C ATOM 0 H PHE A 89 0.262 3.026 -8.496 1.00 0.09 H new ATOM 0 HA PHE A 89 0.942 4.647 -10.782 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.601 6.417 -10.658 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.612 4.989 -10.569 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.143 7.503 -8.375 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.108 4.698 -8.757 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.803 8.301 -6.219 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.051 5.503 -6.602 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.900 7.304 -5.333 1.00 0.11 H new ATOM 1382 N SER A 90 2.429 5.860 -9.185 1.00 0.13 N ATOM 1383 CA SER A 90 3.382 6.485 -8.214 1.00 0.14 C ATOM 1384 C SER A 90 3.201 8.003 -8.250 1.00 0.14 C ATOM 1385 O SER A 90 2.240 8.510 -8.793 1.00 0.17 O ATOM 1386 CB SER A 90 4.813 6.134 -8.617 1.00 0.15 C ATOM 1387 OG SER A 90 5.230 6.999 -9.664 1.00 0.16 O ATOM 0 H SER A 90 2.712 5.923 -10.163 1.00 0.13 H new ATOM 0 HA SER A 90 3.186 6.114 -7.208 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.479 6.233 -7.760 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.867 5.096 -8.944 1.00 0.15 H new ATOM 0 HG SER A 90 6.043 7.474 -9.392 1.00 0.16 H new ATOM 1393 N GLY A 91 4.114 8.734 -7.673 1.00 0.12 N ATOM 1394 CA GLY A 91 3.994 10.223 -7.669 1.00 0.13 C ATOM 1395 C GLY A 91 3.197 10.658 -6.439 1.00 0.13 C ATOM 1396 O GLY A 91 2.122 10.157 -6.176 1.00 0.13 O ATOM 0 H GLY A 91 4.941 8.366 -7.202 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.984 10.680 -7.657 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.498 10.563 -8.578 1.00 0.13 H new ATOM 1400 N ALA A 92 3.723 11.570 -5.669 1.00 0.15 N ATOM 1401 CA ALA A 92 2.995 12.011 -4.442 1.00 0.17 C ATOM 1402 C ALA A 92 1.604 12.550 -4.800 1.00 0.15 C ATOM 1403 O ALA A 92 1.443 13.705 -5.140 1.00 0.16 O ATOM 1404 CB ALA A 92 3.799 13.111 -3.732 1.00 0.20 C ATOM 0 H ALA A 92 4.620 12.028 -5.833 1.00 0.15 H new ATOM 0 HA ALA A 92 2.879 11.151 -3.782 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.266 13.431 -2.837 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.778 12.723 -3.452 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.924 13.961 -4.403 1.00 0.20 H new ATOM 1410 N ASN A 93 0.594 11.729 -4.685 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.797 12.191 -4.974 1.00 0.13 C ATOM 1412 C ASN A 93 -1.742 11.511 -3.978 1.00 0.12 C ATOM 1413 O ASN A 93 -2.416 10.551 -4.298 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.184 11.824 -6.413 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.343 12.714 -6.870 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.355 12.805 -6.204 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.233 13.382 -7.984 1.00 1.15 N ATOM 0 H ASN A 93 0.673 10.752 -4.402 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.865 13.274 -4.871 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.328 11.953 -7.076 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.473 10.775 -6.467 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.997 13.981 -8.297 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.383 13.305 -8.543 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.775 11.991 -2.765 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.649 11.364 -1.733 1.00 0.20 C ATOM 1426 C LYS A 94 -4.121 11.488 -2.131 1.00 0.18 C ATOM 1427 O LYS A 94 -4.924 10.625 -1.837 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.429 12.056 -0.380 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.464 13.600 -0.541 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.033 14.178 -0.634 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.489 14.466 0.769 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.949 14.845 0.675 1.00 1.19 N ATOM 0 H LYS A 94 -1.233 12.793 -2.443 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.391 10.308 -1.654 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.199 11.741 0.324 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.470 11.751 0.039 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.026 13.863 -1.437 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.986 14.046 0.305 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.380 13.472 -1.148 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.040 15.094 -1.225 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.059 15.271 1.234 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.604 13.587 1.403 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.442 14.555 1.544 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.381 14.369 -0.143 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.030 15.875 0.559 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.489 12.550 -2.788 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.911 12.713 -3.184 1.00 0.20 C ATOM 1448 C GLU A 95 -6.275 11.635 -4.203 1.00 0.17 C ATOM 1449 O GLU A 95 -7.417 11.239 -4.325 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.107 14.097 -3.804 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.096 15.158 -2.700 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.309 16.542 -3.316 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.243 16.687 -4.088 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.536 17.432 -3.006 1.00 1.86 O ATOM 0 H GLU A 95 -3.868 13.310 -3.067 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.553 12.616 -2.309 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.315 14.299 -4.525 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.051 14.133 -4.348 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.880 14.948 -1.972 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.147 15.130 -2.164 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.308 11.154 -4.935 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.588 10.099 -5.946 1.00 0.14 C ATOM 1463 C LYS A 96 -5.955 8.796 -5.236 1.00 0.12 C ATOM 1464 O LYS A 96 -6.795 8.052 -5.696 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.352 9.880 -6.822 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.682 8.883 -7.940 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.550 8.861 -8.987 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.767 9.967 -10.030 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.709 9.877 -11.077 1.00 2.05 N ATOM 0 H LYS A 96 -4.333 11.448 -4.875 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.420 10.414 -6.576 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.026 10.827 -7.251 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.527 9.503 -6.217 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.818 7.886 -7.520 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.623 9.159 -8.417 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.587 9.000 -8.495 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.519 7.889 -9.479 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.753 9.865 -10.484 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.737 10.945 -9.550 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.855 10.626 -11.784 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.774 9.994 -10.637 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.759 8.948 -11.542 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.335 8.505 -4.122 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.674 7.238 -3.413 1.00 0.11 C ATOM 1485 C LEU A 97 -7.181 7.189 -3.181 1.00 0.11 C ATOM 1486 O LEU A 97 -7.793 6.140 -3.225 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.954 7.163 -2.054 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.447 7.433 -2.213 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.842 7.787 -0.850 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.733 6.188 -2.760 1.00 0.13 C ATOM 0 H LEU A 97 -4.619 9.081 -3.679 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.353 6.395 -4.026 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.387 7.891 -1.368 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.106 6.179 -1.612 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.316 8.260 -2.910 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.775 7.978 -0.964 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.330 8.678 -0.456 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.990 6.957 -0.159 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.668 6.396 -2.866 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.873 5.356 -2.070 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.150 5.927 -3.732 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.788 8.315 -2.935 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.260 8.322 -2.701 1.00 0.14 C ATOM 1504 C GLU A 98 -9.990 7.939 -3.991 1.00 0.13 C ATOM 1505 O GLU A 98 -10.756 6.997 -4.029 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.704 9.718 -2.262 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.140 9.650 -1.740 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.614 11.054 -1.364 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.808 11.853 -2.265 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.776 11.307 -0.181 1.00 2.15 O ATOM 0 H GLU A 98 -7.333 9.227 -2.886 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.502 7.601 -1.920 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.040 10.096 -1.485 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.642 10.412 -3.100 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.795 9.225 -2.501 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.192 8.993 -0.872 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.765 8.674 -5.047 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.449 8.373 -6.338 1.00 0.14 C ATOM 1519 C ALA A 99 -10.103 6.959 -6.814 1.00 0.12 C ATOM 1520 O ALA A 99 -10.948 6.244 -7.312 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.999 9.385 -7.393 1.00 0.15 C ATOM 0 H ALA A 99 -9.133 9.474 -5.071 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.527 8.439 -6.189 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.496 9.170 -8.339 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.261 10.392 -7.067 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.919 9.316 -7.526 1.00 0.15 H new ATOM 1527 N THR A 100 -8.868 6.556 -6.686 1.00 0.11 N ATOM 1528 CA THR A 100 -8.469 5.197 -7.156 1.00 0.11 C ATOM 1529 C THR A 100 -9.143 4.122 -6.299 1.00 0.10 C ATOM 1530 O THR A 100 -9.672 3.154 -6.809 1.00 0.11 O ATOM 1531 CB THR A 100 -6.949 5.057 -7.064 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.341 6.125 -7.777 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.519 3.724 -7.675 1.00 0.12 C ATOM 0 H THR A 100 -8.116 7.110 -6.276 1.00 0.11 H new ATOM 0 HA THR A 100 -8.786 5.067 -8.191 1.00 0.11 H new ATOM 0 HB THR A 100 -6.640 5.089 -6.019 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.476 6.964 -7.288 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.435 3.626 -7.609 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.991 2.906 -7.132 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.823 3.688 -8.721 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.140 4.280 -5.004 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.794 3.259 -4.132 1.00 0.11 C ATOM 1543 C ILE A 101 -11.279 3.180 -4.500 1.00 0.13 C ATOM 1544 O ILE A 101 -11.804 2.117 -4.760 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.633 3.665 -2.655 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.172 3.423 -2.218 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.584 2.829 -1.783 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.832 4.243 -0.963 1.00 0.18 C ATOM 0 H ILE A 101 -8.716 5.067 -4.512 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.329 2.284 -4.279 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.877 4.721 -2.536 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.019 2.363 -2.017 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.496 3.694 -3.029 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.468 3.118 -0.738 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.613 3.004 -2.096 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.346 1.771 -1.895 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.798 4.055 -0.675 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.963 5.304 -1.175 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.494 3.952 -0.148 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.955 4.295 -4.528 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.404 4.280 -4.882 1.00 0.17 C ATOM 1562 C ASN A 102 -13.580 3.751 -6.307 1.00 0.18 C ATOM 1563 O ASN A 102 -14.668 3.397 -6.718 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.963 5.704 -4.793 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.492 5.654 -4.798 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.091 5.138 -5.720 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.153 6.173 -3.799 1.00 1.03 N ATOM 0 H ASN A 102 -11.568 5.216 -4.321 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.940 3.632 -4.188 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.608 6.189 -3.884 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.605 6.299 -5.633 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.173 6.145 -3.793 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.650 6.606 -3.025 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.522 3.702 -7.066 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.627 3.207 -8.468 1.00 0.18 C ATOM 1576 C GLU A 103 -12.738 1.678 -8.482 1.00 0.19 C ATOM 1577 O GLU A 103 -13.691 1.118 -8.987 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.379 3.631 -9.252 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.654 3.527 -10.754 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.571 4.671 -11.186 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.057 5.736 -11.490 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.774 4.467 -11.203 1.00 2.01 O ATOM 0 H GLU A 103 -11.586 3.984 -6.776 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.518 3.634 -8.929 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.105 4.654 -8.993 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.535 2.996 -8.982 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.717 3.568 -11.310 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.119 2.568 -10.984 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.754 1.001 -7.952 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.774 -0.494 -7.951 1.00 0.19 C ATOM 1591 C LEU A 104 -12.405 -1.019 -6.657 1.00 0.19 C ATOM 1592 O LEU A 104 -12.253 -2.173 -6.312 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.334 -1.005 -8.063 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.687 -0.467 -9.349 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.174 -0.687 -9.283 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.258 -1.192 -10.578 1.00 0.35 C ATOM 0 H LEU A 104 -10.932 1.420 -7.517 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.367 -0.848 -8.794 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.757 -0.687 -7.195 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.325 -2.095 -8.069 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.903 0.598 -9.437 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.711 -0.307 -10.194 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.767 -0.159 -8.421 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.965 -1.753 -9.187 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.790 -0.800 -11.481 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.054 -2.260 -10.498 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.335 -1.031 -10.628 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.118 -0.191 -5.940 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.755 -0.671 -4.678 1.00 0.22 C ATOM 1610 C VAL A 105 -14.795 -1.743 -5.010 1.00 0.26 C ATOM 1611 O VAL A 105 -14.857 -2.725 -4.289 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.442 0.496 -3.964 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.518 1.092 -4.875 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.084 -0.010 -2.667 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.513 -1.562 -5.980 1.00 1.18 O ATOM 0 H VAL A 105 -13.286 0.788 -6.170 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.988 -1.090 -4.027 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.706 1.265 -3.728 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.007 1.923 -4.366 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.057 1.451 -5.795 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.257 0.327 -5.113 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.574 0.819 -2.156 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.821 -0.778 -2.901 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.314 -0.431 -2.020 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.395 -0.294 4.948 1.00 0.00 N ATOM 1627 CA PHE B 1 22.709 0.984 4.603 1.00 0.00 C ATOM 1628 C PHE B 1 21.312 0.680 4.054 1.00 0.00 C ATOM 1629 O PHE B 1 21.063 -0.392 3.539 1.00 0.00 O ATOM 1630 CB PHE B 1 23.529 1.730 3.546 1.00 0.00 C ATOM 1631 CG PHE B 1 23.549 0.935 2.263 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.478 1.040 1.359 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.636 0.090 1.972 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.490 0.301 0.161 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.651 -0.649 0.774 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.578 -0.544 -0.131 1.00 0.00 C ATOM 0 H1 PHE B 1 24.103 -0.119 5.689 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.695 -0.981 5.293 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.866 -0.674 4.102 1.00 0.00 H new ATOM 0 HA PHE B 1 22.618 1.604 5.495 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.099 2.716 3.368 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.547 1.886 3.904 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.644 1.689 1.584 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.458 0.009 2.667 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.666 0.382 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.486 -1.296 0.549 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.589 -1.112 -1.050 1.00 0.00 H new ATOM 1648 N ARG B 2 20.398 1.616 4.166 1.00 0.00 N ATOM 1649 CA ARG B 2 19.001 1.395 3.661 1.00 0.00 C ATOM 1650 C ARG B 2 18.684 2.439 2.585 1.00 0.00 C ATOM 1651 O ARG B 2 17.907 3.351 2.800 1.00 0.00 O ATOM 1652 CB ARG B 2 18.006 1.552 4.820 1.00 0.00 C ATOM 1653 CG ARG B 2 18.374 0.595 5.975 1.00 0.00 C ATOM 1654 CD ARG B 2 17.819 1.114 7.327 1.00 0.00 C ATOM 1655 NE ARG B 2 17.201 -0.015 8.102 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.226 -0.727 7.608 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.702 -0.414 6.455 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.753 -1.738 8.284 1.00 0.00 N ATOM 0 H ARG B 2 20.560 2.530 4.588 1.00 0.00 H new ATOM 0 HA ARG B 2 18.920 0.392 3.242 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.012 2.582 5.176 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.995 1.341 4.472 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.973 -0.398 5.771 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.458 0.495 6.037 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.622 1.567 7.908 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.076 1.892 7.149 1.00 0.00 H new ATOM 0 HE ARG B 2 17.552 -0.230 9.035 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.055 0.390 5.936 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.940 -0.974 6.072 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.146 -1.970 9.196 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.991 -2.296 7.900 1.00 0.00 H new ATOM 1672 N PHE B 3 19.283 2.309 1.427 1.00 0.00 N ATOM 1673 CA PHE B 3 19.037 3.285 0.318 1.00 0.00 C ATOM 1674 C PHE B 3 18.802 2.518 -0.984 1.00 0.00 C ATOM 1675 O PHE B 3 19.245 1.397 -1.140 1.00 0.00 O ATOM 1676 CB PHE B 3 20.261 4.191 0.162 1.00 0.00 C ATOM 1677 CG PHE B 3 20.301 5.190 1.297 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.683 4.776 2.589 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.960 6.534 1.063 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.720 5.708 3.644 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.998 7.465 2.118 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.379 7.052 3.408 1.00 0.00 C ATOM 0 H PHE B 3 19.938 1.561 1.200 1.00 0.00 H new ATOM 0 HA PHE B 3 18.161 3.892 0.548 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.172 3.592 0.159 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.220 4.713 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.947 3.745 2.770 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.669 6.852 0.073 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.010 5.391 4.635 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.735 8.497 1.937 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.410 7.767 4.217 1.00 0.00 H new ATOM 1692 N ARG B 4 18.109 3.107 -1.924 1.00 0.00 N ATOM 1693 CA ARG B 4 17.850 2.397 -3.213 1.00 0.00 C ATOM 1694 C ARG B 4 17.739 3.430 -4.352 1.00 0.00 C ATOM 1695 O ARG B 4 18.741 3.835 -4.912 1.00 0.00 O ATOM 1696 CB ARG B 4 16.556 1.554 -3.067 1.00 0.00 C ATOM 1697 CG ARG B 4 16.885 0.049 -3.127 1.00 0.00 C ATOM 1698 CD ARG B 4 17.491 -0.314 -4.502 1.00 0.00 C ATOM 1699 NE ARG B 4 16.853 -1.560 -5.034 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.707 -2.620 -4.283 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.211 -2.652 -3.081 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.082 -3.666 -4.752 1.00 0.00 N ATOM 0 H ARG B 4 17.713 4.044 -1.856 1.00 0.00 H new ATOM 0 HA ARG B 4 18.671 1.723 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.067 1.788 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.855 1.811 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.587 -0.209 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.981 -0.535 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.341 0.508 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.567 -0.460 -4.407 1.00 0.00 H new ATOM 0 HE ARG B 4 16.526 -1.582 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.723 -1.847 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.093 -3.482 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.710 -3.654 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.966 -4.495 -4.169 1.00 0.00 H new ATOM 1716 N TYR B 5 16.544 3.861 -4.705 1.00 0.00 N ATOM 1717 CA TYR B 5 16.387 4.866 -5.813 1.00 0.00 C ATOM 1718 C TYR B 5 15.820 6.186 -5.270 1.00 0.00 C ATOM 1719 O TYR B 5 15.729 6.394 -4.076 1.00 0.00 O ATOM 1720 CB TYR B 5 15.484 4.300 -6.928 1.00 0.00 C ATOM 1721 CG TYR B 5 14.348 3.483 -6.363 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.540 2.124 -6.039 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.084 4.069 -6.203 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.465 1.361 -5.544 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.009 3.307 -5.719 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.198 1.953 -5.384 1.00 0.00 C ATOM 1727 OH TYR B 5 11.140 1.205 -4.910 1.00 0.00 O ATOM 0 H TYR B 5 15.671 3.559 -4.273 1.00 0.00 H new ATOM 0 HA TYR B 5 17.370 5.069 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.082 5.120 -7.523 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.079 3.681 -7.600 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.511 1.669 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.937 5.109 -6.453 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.613 0.322 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.036 3.760 -5.604 1.00 0.00 H new ATOM 0 HH TYR B 5 11.465 0.328 -4.616 1.00 0.00 H new ATOM 1737 N VAL B 6 15.493 7.096 -6.150 1.00 0.00 N ATOM 1738 CA VAL B 6 14.994 8.437 -5.714 1.00 0.00 C ATOM 1739 C VAL B 6 13.560 8.372 -5.184 1.00 0.00 C ATOM 1740 O VAL B 6 12.760 7.550 -5.590 1.00 0.00 O ATOM 1741 CB VAL B 6 15.024 9.391 -6.915 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.036 10.843 -6.428 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.272 9.116 -7.747 1.00 0.00 C ATOM 0 H VAL B 6 15.550 6.968 -7.160 1.00 0.00 H new ATOM 0 HA VAL B 6 15.640 8.788 -4.909 1.00 0.00 H new ATOM 0 HB VAL B 6 14.136 9.230 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.057 11.514 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.140 11.036 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.919 11.013 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.296 9.792 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.160 9.273 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.254 8.085 -8.101 1.00 0.00 H new ATOM 1753 N CYS B 7 13.226 9.282 -4.302 1.00 0.00 N ATOM 1754 CA CYS B 7 11.842 9.349 -3.754 1.00 0.00 C ATOM 1755 C CYS B 7 11.098 10.473 -4.469 1.00 0.00 C ATOM 1756 O CYS B 7 11.220 11.630 -4.119 1.00 0.00 O ATOM 1757 CB CYS B 7 11.883 9.637 -2.248 1.00 0.00 C ATOM 1758 SG CYS B 7 13.168 8.631 -1.468 1.00 0.00 S ATOM 0 H CYS B 7 13.864 9.989 -3.936 1.00 0.00 H new ATOM 0 HA CYS B 7 11.335 8.397 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.082 10.695 -2.076 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.914 9.418 -1.800 1.00 0.00 H new ATOM 1763 N GLU B 8 10.337 10.149 -5.479 1.00 0.00 N ATOM 1764 CA GLU B 8 9.602 11.213 -6.218 1.00 0.00 C ATOM 1765 C GLU B 8 8.307 11.556 -5.481 1.00 0.00 C ATOM 1766 O GLU B 8 7.251 11.709 -6.073 1.00 0.00 O ATOM 1767 CB GLU B 8 9.283 10.734 -7.641 1.00 0.00 C ATOM 1768 CG GLU B 8 8.873 9.255 -7.613 1.00 0.00 C ATOM 1769 CD GLU B 8 8.060 8.922 -8.868 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.655 8.832 -9.928 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.857 8.764 -8.745 1.00 0.00 O ATOM 0 H GLU B 8 10.193 9.199 -5.822 1.00 0.00 H new ATOM 0 HA GLU B 8 10.226 12.105 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.479 11.336 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.154 10.867 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.759 8.623 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.283 9.048 -6.720 1.00 0.00 H new ATOM 1778 N GLY B 9 8.387 11.715 -4.192 1.00 0.00 N ATOM 1779 CA GLY B 9 7.173 12.091 -3.425 1.00 0.00 C ATOM 1780 C GLY B 9 6.831 13.540 -3.806 1.00 0.00 C ATOM 1781 O GLY B 9 6.840 13.852 -4.982 1.00 0.00 O ATOM 0 H GLY B 9 9.237 11.601 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.345 11.424 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.352 12.006 -2.353 1.00 0.00 H new ATOM 1785 N PRO B 10 6.560 14.412 -2.852 1.00 0.00 N ATOM 1786 CA PRO B 10 6.260 15.815 -3.193 1.00 0.00 C ATOM 1787 C PRO B 10 7.509 16.472 -3.808 1.00 0.00 C ATOM 1788 O PRO B 10 7.653 17.679 -3.812 1.00 0.00 O ATOM 1789 CB PRO B 10 5.864 16.480 -1.854 1.00 0.00 C ATOM 1790 CG PRO B 10 5.997 15.399 -0.741 1.00 0.00 C ATOM 1791 CD PRO B 10 6.512 14.103 -1.406 1.00 0.00 C ATOM 0 HA PRO B 10 5.461 15.915 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.511 17.331 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.843 16.859 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.687 15.731 0.035 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.035 15.226 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.497 13.829 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.847 13.263 -1.203 1.00 0.00 H new ATOM 1799 N SER B 11 8.404 15.679 -4.329 1.00 0.00 N ATOM 1800 CA SER B 11 9.640 16.229 -4.947 1.00 0.00 C ATOM 1801 C SER B 11 9.325 16.706 -6.366 1.00 0.00 C ATOM 1802 O SER B 11 9.651 17.811 -6.748 1.00 0.00 O ATOM 1803 CB SER B 11 10.705 15.129 -4.998 1.00 0.00 C ATOM 1804 OG SER B 11 11.944 15.692 -5.408 1.00 0.00 O ATOM 0 H SER B 11 8.329 14.662 -4.352 1.00 0.00 H new ATOM 0 HA SER B 11 10.009 17.068 -4.357 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.811 14.664 -4.018 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.401 14.345 -5.692 1.00 0.00 H new ATOM 0 HG SER B 11 12.627 14.990 -5.440 1.00 0.00 H new ATOM 1810 N HIS B 12 8.689 15.879 -7.149 1.00 0.00 N ATOM 1811 CA HIS B 12 8.348 16.284 -8.542 1.00 0.00 C ATOM 1812 C HIS B 12 7.218 17.316 -8.510 1.00 0.00 C ATOM 1813 O HIS B 12 6.652 17.598 -7.472 1.00 0.00 O ATOM 1814 CB HIS B 12 7.892 15.055 -9.333 1.00 0.00 C ATOM 1815 CG HIS B 12 7.579 15.457 -10.748 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.316 15.881 -11.133 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.352 15.502 -11.881 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.367 16.160 -12.449 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.586 15.946 -12.954 1.00 0.00 N ATOM 0 H HIS B 12 8.391 14.940 -6.885 1.00 0.00 H new ATOM 0 HA HIS B 12 9.226 16.719 -9.019 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.672 14.294 -9.324 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.011 14.615 -8.866 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.397 15.233 -11.932 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.526 16.514 -13.026 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.889 16.080 -13.919 1.00 0.00 H new ATOM 1827 N GLY B 13 6.886 17.880 -9.638 1.00 0.00 N ATOM 1828 CA GLY B 13 5.793 18.892 -9.670 1.00 0.00 C ATOM 1829 C GLY B 13 6.211 20.123 -8.865 1.00 0.00 C ATOM 1830 O GLY B 13 5.645 21.180 -9.097 1.00 0.00 O ATOM 1831 OXT GLY B 13 7.092 19.991 -8.031 1.00 0.00 O ATOM 0 H GLY B 13 7.324 17.684 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.576 19.175 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.878 18.468 -9.256 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.988 -10.659 -1.440 1.00 0.24 O HETATM 1839 O HOH A 107 8.530 -3.000 5.085 1.00 0.40 O HETATM 1842 O HOH A 108 12.471 1.213 2.129 1.00 0.32 O HETATM 1845 O HOH A 109 -8.919 -8.722 -0.104 1.00 0.26 O HETATM 1848 O HOH A 110 -7.429 -12.844 0.646 1.00 0.21 O HETATM 1851 O HOH A 111 -12.447 -2.960 0.311 1.00 0.37 O