USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 29 SER OG : rot 87:sc= 1.61 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -137:sc= -11.8! (180deg=-13.2!) USER MOD Set 2.1: A 28 TYR OH : rot 39:sc= 1.58 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -178:sc= 2.44! (180deg=1.03!) USER MOD Set 2.3: A 87 COA O2B : rot -140:sc= 0.982 USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.571 (180deg=0.159) USER MOD Single : A 1 SER OG : rot 180:sc= 0.187 USER MOD Single : A 2 GLN : amide:sc= -9.13! C(o=-9.1!,f=-6.6!) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -2.47! (180deg=-5.97!) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 0.221! (180deg=-0.335!) USER MOD Single : A 14 HIS : no HE2:sc= 0.538 K(o=0.54,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.0806! (180deg=-1.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00895 USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 0.408 (180deg=-5.1!) USER MOD Single : A 24 MET CE :methyl -107:sc= -6.3! (180deg=-11.6!) USER MOD Single : A 30 HIS : no HE2:sc= -1.7! C(o=-1.7!,f=-5.2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.09! C(o=-5.1!,f=-7.8!) USER MOD Single : A 35 THR OG1 : rot -155:sc= -2.38! USER MOD Single : A 40 ASN : amide:sc= 0.421 X(o=0.42,f=-0.038) USER MOD Single : A 41 THR OG1 : rot 64:sc= -0.637 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= -0.752! (180deg=-5.17!) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= 0.883 (180deg=-3.04!) USER MOD Single : A 59 ASN : amide:sc= -0.623 K(o=-0.62,f=-4.9!) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0.603 (180deg=-0.974!) USER MOD Single : A 64 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 65 SER OG : rot 109:sc= 1.02 USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 1.44 (180deg=-0.0865) USER MOD Single : A 70 MET CE :methyl 180:sc= -0.762 (180deg=-0.762) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.427 (180deg=-0.666!) USER MOD Single : A 73 TYR OH : rot 32:sc= -0.742! USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= 0.718 (180deg=-2.33!) USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -1.58! (180deg=-2.98!) USER MOD Single : A 82 LYS NZ :NH3+ -129:sc= -0.26! (180deg=-3.49!) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 0.691 (180deg=0.125) USER MOD Single : A 84 TYR OH : rot 174:sc= 1.84 USER MOD Single : A 87 COA OAP : rot 15:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.593 4.636 -3.623 1.00 4.71 N ATOM 2 CA SER A 1 -1.116 3.554 -2.701 1.00 4.01 C ATOM 3 C SER A 1 0.258 3.053 -2.971 1.00 1.95 C ATOM 4 O SER A 1 1.013 3.242 -2.048 1.00 2.36 O ATOM 5 CB SER A 1 -2.081 2.366 -2.759 1.00 4.64 C ATOM 6 OG SER A 1 -3.328 3.052 -2.871 1.00 5.70 O ATOM 0 H1 SER A 1 -2.628 4.586 -3.710 1.00 4.71 H new ATOM 0 H2 SER A 1 -1.322 5.564 -3.239 1.00 4.71 H new ATOM 0 H3 SER A 1 -1.160 4.510 -4.560 1.00 4.71 H new ATOM 0 HA SER A 1 -1.087 4.016 -1.714 1.00 4.01 H new ATOM 0 HB2 SER A 1 -1.887 1.715 -3.612 1.00 4.64 H new ATOM 0 HB3 SER A 1 -2.028 1.744 -1.865 1.00 4.64 H new ATOM 0 HG SER A 1 -4.057 2.399 -2.921 1.00 5.70 H new ATOM 14 N GLN A 2 0.618 2.481 -4.099 1.00 1.19 N ATOM 15 CA GLN A 2 2.039 2.039 -4.142 1.00 1.00 C ATOM 16 C GLN A 2 3.181 3.080 -4.009 1.00 1.42 C ATOM 17 O GLN A 2 3.773 3.629 -4.918 1.00 2.61 O ATOM 18 CB GLN A 2 2.360 1.232 -5.401 1.00 2.53 C ATOM 19 CG GLN A 2 3.811 0.656 -5.022 1.00 2.32 C ATOM 20 CD GLN A 2 3.932 -0.852 -5.071 1.00 1.69 C ATOM 21 OE1 GLN A 2 3.407 -1.593 -5.871 1.00 2.00 O ATOM 22 NE2 GLN A 2 4.681 -1.377 -4.167 1.00 1.45 N ATOM 0 H GLN A 2 0.042 2.313 -4.924 1.00 1.19 H new ATOM 0 HA GLN A 2 2.050 1.464 -3.216 1.00 1.00 H new ATOM 0 HB2 GLN A 2 1.634 0.439 -5.581 1.00 2.53 H new ATOM 0 HB3 GLN A 2 2.382 1.853 -6.296 1.00 2.53 H new ATOM 0 HG2 GLN A 2 4.546 1.087 -5.702 1.00 2.32 H new ATOM 0 HG3 GLN A 2 4.069 0.994 -4.018 1.00 2.32 H new ATOM 0 HE21 GLN A 2 5.140 -0.783 -3.476 1.00 1.45 H new ATOM 0 HE22 GLN A 2 4.817 -2.388 -4.141 1.00 1.45 H new ATOM 31 N ALA A 3 3.349 3.245 -2.742 1.00 0.74 N ATOM 32 CA ALA A 3 4.323 4.104 -2.036 1.00 0.68 C ATOM 33 C ALA A 3 5.372 3.069 -1.568 1.00 0.87 C ATOM 34 O ALA A 3 6.573 3.262 -1.569 1.00 1.69 O ATOM 35 CB ALA A 3 3.566 4.730 -0.910 1.00 0.58 C ATOM 0 H ALA A 3 2.760 2.742 -2.078 1.00 0.74 H new ATOM 0 HA ALA A 3 4.795 4.910 -2.597 1.00 0.68 H new ATOM 0 HB1 ALA A 3 4.230 5.382 -0.343 1.00 0.58 H new ATOM 0 HB2 ALA A 3 2.738 5.315 -1.309 1.00 0.58 H new ATOM 0 HB3 ALA A 3 3.177 3.950 -0.255 1.00 0.58 H new ATOM 41 N GLU A 4 4.808 1.954 -1.156 1.00 0.43 N ATOM 42 CA GLU A 4 5.545 0.776 -0.651 1.00 0.38 C ATOM 43 C GLU A 4 6.904 0.577 -1.305 1.00 0.29 C ATOM 44 O GLU A 4 7.928 0.287 -0.711 1.00 0.33 O ATOM 45 CB GLU A 4 4.590 -0.417 -0.852 1.00 0.46 C ATOM 46 CG GLU A 4 3.413 -0.415 0.204 1.00 0.85 C ATOM 47 CD GLU A 4 2.254 0.545 -0.081 1.00 2.03 C ATOM 48 OE1 GLU A 4 2.218 1.054 -1.181 1.00 3.01 O ATOM 49 OE2 GLU A 4 1.452 0.725 0.811 1.00 2.54 O ATOM 0 H GLU A 4 3.797 1.821 -1.156 1.00 0.43 H new ATOM 0 HA GLU A 4 5.807 0.902 0.400 1.00 0.38 H new ATOM 0 HB2 GLU A 4 4.174 -0.383 -1.859 1.00 0.46 H new ATOM 0 HB3 GLU A 4 5.150 -1.348 -0.769 1.00 0.46 H new ATOM 0 HG2 GLU A 4 3.012 -1.426 0.273 1.00 0.85 H new ATOM 0 HG3 GLU A 4 3.829 -0.170 1.181 1.00 0.85 H new ATOM 56 N PHE A 5 6.790 0.770 -2.564 1.00 0.23 N ATOM 57 CA PHE A 5 7.905 0.675 -3.513 1.00 0.20 C ATOM 58 C PHE A 5 8.939 1.792 -3.281 1.00 0.08 C ATOM 59 O PHE A 5 10.119 1.553 -3.138 1.00 0.20 O ATOM 60 CB PHE A 5 7.269 0.799 -4.801 1.00 0.29 C ATOM 61 CG PHE A 5 8.352 1.004 -5.857 1.00 0.15 C ATOM 62 CD1 PHE A 5 9.050 -0.034 -6.453 1.00 1.08 C ATOM 63 CD2 PHE A 5 8.620 2.302 -6.207 1.00 1.30 C ATOM 64 CE1 PHE A 5 10.015 0.228 -7.403 1.00 1.13 C ATOM 65 CE2 PHE A 5 9.571 2.578 -7.147 1.00 1.27 C ATOM 66 CZ PHE A 5 10.268 1.549 -7.749 1.00 0.09 C ATOM 0 H PHE A 5 5.903 1.008 -3.007 1.00 0.23 H new ATOM 0 HA PHE A 5 8.466 -0.254 -3.411 1.00 0.20 H new ATOM 0 HB2 PHE A 5 6.687 -0.095 -5.024 1.00 0.29 H new ATOM 0 HB3 PHE A 5 6.575 1.640 -4.802 1.00 0.29 H new ATOM 0 HD1 PHE A 5 8.837 -1.055 -6.172 1.00 1.08 H new ATOM 0 HD2 PHE A 5 8.077 3.109 -5.738 1.00 1.30 H new ATOM 0 HE1 PHE A 5 10.563 -0.578 -7.868 1.00 1.13 H new ATOM 0 HE2 PHE A 5 9.778 3.602 -7.420 1.00 1.27 H new ATOM 0 HZ PHE A 5 11.016 1.773 -8.495 1.00 0.09 H new ATOM 76 N ASP A 6 8.482 3.008 -3.273 1.00 0.12 N ATOM 77 CA ASP A 6 9.383 4.157 -3.053 1.00 0.31 C ATOM 78 C ASP A 6 10.058 4.006 -1.680 1.00 0.19 C ATOM 79 O ASP A 6 11.224 4.287 -1.458 1.00 0.33 O ATOM 80 CB ASP A 6 8.457 5.347 -3.232 1.00 0.56 C ATOM 81 CG ASP A 6 8.314 5.534 -4.740 1.00 1.30 C ATOM 82 OD1 ASP A 6 9.330 5.761 -5.369 1.00 2.50 O ATOM 83 OD2 ASP A 6 7.191 5.419 -5.180 1.00 0.73 O ATOM 0 H ASP A 6 7.502 3.255 -3.413 1.00 0.12 H new ATOM 0 HA ASP A 6 10.230 4.257 -3.732 1.00 0.31 H new ATOM 0 HB2 ASP A 6 7.489 5.163 -2.766 1.00 0.56 H new ATOM 0 HB3 ASP A 6 8.872 6.240 -2.764 1.00 0.56 H new ATOM 88 N LYS A 7 9.253 3.536 -0.775 1.00 0.10 N ATOM 89 CA LYS A 7 9.758 3.309 0.615 1.00 0.19 C ATOM 90 C LYS A 7 11.010 2.443 0.406 1.00 0.24 C ATOM 91 O LYS A 7 12.078 2.738 0.898 1.00 0.38 O ATOM 92 CB LYS A 7 8.769 2.521 1.435 1.00 0.19 C ATOM 93 CG LYS A 7 9.376 2.209 2.830 1.00 0.24 C ATOM 94 CD LYS A 7 8.729 0.894 3.289 1.00 1.32 C ATOM 95 CE LYS A 7 9.528 -0.344 2.760 1.00 2.51 C ATOM 96 NZ LYS A 7 10.872 -0.431 3.444 1.00 2.34 N ATOM 0 H LYS A 7 8.273 3.299 -0.929 1.00 0.10 H new ATOM 0 HA LYS A 7 9.938 4.248 1.138 1.00 0.19 H new ATOM 0 HB2 LYS A 7 7.844 3.086 1.548 1.00 0.19 H new ATOM 0 HB3 LYS A 7 8.515 1.593 0.923 1.00 0.19 H new ATOM 0 HG2 LYS A 7 10.460 2.111 2.771 1.00 0.24 H new ATOM 0 HG3 LYS A 7 9.167 3.014 3.535 1.00 0.24 H new ATOM 0 HD2 LYS A 7 8.689 0.866 4.378 1.00 1.32 H new ATOM 0 HD3 LYS A 7 7.701 0.847 2.931 1.00 1.32 H new ATOM 0 HE2 LYS A 7 8.960 -1.257 2.941 1.00 2.51 H new ATOM 0 HE3 LYS A 7 9.666 -0.263 1.682 1.00 2.51 H new ATOM 0 HZ1 LYS A 7 11.628 -0.338 2.736 1.00 2.34 H new ATOM 0 HZ2 LYS A 7 10.956 0.335 4.143 1.00 2.34 H new ATOM 0 HZ3 LYS A 7 10.958 -1.349 3.925 1.00 2.34 H new ATOM 110 N ALA A 8 10.812 1.373 -0.323 1.00 0.18 N ATOM 111 CA ALA A 8 11.958 0.463 -0.603 1.00 0.24 C ATOM 112 C ALA A 8 13.074 1.330 -1.251 1.00 0.27 C ATOM 113 O ALA A 8 14.180 1.355 -0.767 1.00 0.39 O ATOM 114 CB ALA A 8 11.453 -0.630 -1.530 1.00 0.19 C ATOM 0 H ALA A 8 9.919 1.095 -0.730 1.00 0.18 H new ATOM 0 HA ALA A 8 12.366 -0.014 0.288 1.00 0.24 H new ATOM 0 HB1 ALA A 8 12.267 -1.318 -1.758 1.00 0.19 H new ATOM 0 HB2 ALA A 8 10.643 -1.174 -1.044 1.00 0.19 H new ATOM 0 HB3 ALA A 8 11.086 -0.183 -2.454 1.00 0.19 H new ATOM 120 N ALA A 9 12.770 2.014 -2.320 1.00 0.22 N ATOM 121 CA ALA A 9 13.766 2.897 -3.024 1.00 0.23 C ATOM 122 C ALA A 9 14.676 3.735 -2.099 1.00 0.30 C ATOM 123 O ALA A 9 15.838 3.969 -2.378 1.00 0.51 O ATOM 124 CB ALA A 9 13.019 3.841 -3.933 1.00 0.34 C ATOM 0 H ALA A 9 11.847 2.002 -2.753 1.00 0.22 H new ATOM 0 HA ALA A 9 14.427 2.219 -3.564 1.00 0.23 H new ATOM 0 HB1 ALA A 9 13.729 4.487 -4.450 1.00 0.34 H new ATOM 0 HB2 ALA A 9 12.451 3.268 -4.665 1.00 0.34 H new ATOM 0 HB3 ALA A 9 12.337 4.452 -3.342 1.00 0.34 H new ATOM 130 N GLU A 10 14.097 4.143 -1.008 1.00 0.22 N ATOM 131 CA GLU A 10 14.866 4.964 -0.037 1.00 0.26 C ATOM 132 C GLU A 10 15.560 3.921 0.785 1.00 0.35 C ATOM 133 O GLU A 10 16.770 3.954 0.868 1.00 0.46 O ATOM 134 CB GLU A 10 13.850 5.846 0.743 1.00 0.25 C ATOM 135 CG GLU A 10 13.183 6.897 -0.261 1.00 1.00 C ATOM 136 CD GLU A 10 14.172 7.916 -0.886 1.00 2.39 C ATOM 137 OE1 GLU A 10 15.097 7.464 -1.544 1.00 3.38 O ATOM 138 OE2 GLU A 10 13.951 9.097 -0.669 1.00 2.65 O ATOM 0 H GLU A 10 13.131 3.945 -0.747 1.00 0.22 H new ATOM 0 HA GLU A 10 15.594 5.665 -0.445 1.00 0.26 H new ATOM 0 HB2 GLU A 10 13.081 5.221 1.197 1.00 0.25 H new ATOM 0 HB3 GLU A 10 14.354 6.370 1.555 1.00 0.25 H new ATOM 0 HG2 GLU A 10 12.691 6.349 -1.065 1.00 1.00 H new ATOM 0 HG3 GLU A 10 12.407 7.445 0.272 1.00 1.00 H new ATOM 145 N GLU A 11 14.832 3.014 1.357 1.00 0.36 N ATOM 146 CA GLU A 11 15.453 1.952 2.170 1.00 0.42 C ATOM 147 C GLU A 11 16.736 1.418 1.503 1.00 0.46 C ATOM 148 O GLU A 11 17.817 1.473 2.047 1.00 0.53 O ATOM 149 CB GLU A 11 14.319 0.973 2.299 1.00 0.41 C ATOM 150 CG GLU A 11 13.516 1.359 3.540 1.00 0.48 C ATOM 151 CD GLU A 11 13.653 0.309 4.654 1.00 0.51 C ATOM 152 OE1 GLU A 11 14.764 -0.031 5.015 1.00 1.04 O ATOM 153 OE2 GLU A 11 12.622 -0.136 5.117 1.00 0.85 O ATOM 0 H GLU A 11 13.815 2.965 1.293 1.00 0.36 H new ATOM 0 HA GLU A 11 15.827 2.254 3.148 1.00 0.42 H new ATOM 0 HB2 GLU A 11 13.688 0.999 1.411 1.00 0.41 H new ATOM 0 HB3 GLU A 11 14.700 -0.044 2.390 1.00 0.41 H new ATOM 0 HG2 GLU A 11 13.857 2.327 3.908 1.00 0.48 H new ATOM 0 HG3 GLU A 11 12.465 1.472 3.273 1.00 0.48 H new ATOM 160 N VAL A 12 16.590 0.903 0.320 1.00 0.43 N ATOM 161 CA VAL A 12 17.681 0.349 -0.483 1.00 0.46 C ATOM 162 C VAL A 12 18.731 1.415 -0.672 1.00 0.48 C ATOM 163 O VAL A 12 19.899 1.122 -0.560 1.00 0.52 O ATOM 164 CB VAL A 12 17.032 -0.115 -1.781 1.00 0.43 C ATOM 165 CG1 VAL A 12 17.141 0.868 -2.904 1.00 0.41 C ATOM 166 CG2 VAL A 12 17.607 -1.388 -2.218 1.00 0.41 C ATOM 0 H VAL A 12 15.684 0.847 -0.145 1.00 0.43 H new ATOM 0 HA VAL A 12 18.194 -0.494 -0.020 1.00 0.46 H new ATOM 0 HB VAL A 12 15.973 -0.224 -1.547 1.00 0.43 H new ATOM 0 HG11 VAL A 12 16.655 0.462 -3.791 1.00 0.41 H new ATOM 0 HG12 VAL A 12 16.656 1.801 -2.619 1.00 0.41 H new ATOM 0 HG13 VAL A 12 18.192 1.057 -3.121 1.00 0.41 H new ATOM 0 HG21 VAL A 12 17.131 -1.703 -3.146 1.00 0.41 H new ATOM 0 HG22 VAL A 12 18.678 -1.266 -2.383 1.00 0.41 H new ATOM 0 HG23 VAL A 12 17.442 -2.144 -1.451 1.00 0.41 H new ATOM 176 N LYS A 13 18.364 2.635 -0.939 1.00 0.47 N ATOM 177 CA LYS A 13 19.452 3.622 -1.113 1.00 0.52 C ATOM 178 C LYS A 13 20.180 3.911 0.225 1.00 0.56 C ATOM 179 O LYS A 13 21.123 4.679 0.269 1.00 0.59 O ATOM 180 CB LYS A 13 18.805 4.849 -1.705 1.00 0.41 C ATOM 181 CG LYS A 13 18.797 4.645 -3.245 1.00 0.65 C ATOM 182 CD LYS A 13 19.579 5.787 -3.949 1.00 1.15 C ATOM 183 CE LYS A 13 18.738 7.060 -3.914 1.00 0.47 C ATOM 184 NZ LYS A 13 19.473 8.105 -4.692 1.00 0.41 N ATOM 0 H LYS A 13 17.408 2.977 -1.040 1.00 0.47 H new ATOM 0 HA LYS A 13 20.233 3.248 -1.774 1.00 0.52 H new ATOM 0 HB2 LYS A 13 17.791 4.974 -1.325 1.00 0.41 H new ATOM 0 HB3 LYS A 13 19.360 5.748 -1.436 1.00 0.41 H new ATOM 0 HG2 LYS A 13 19.245 3.683 -3.493 1.00 0.65 H new ATOM 0 HG3 LYS A 13 17.770 4.621 -3.609 1.00 0.65 H new ATOM 0 HD2 LYS A 13 20.534 5.953 -3.450 1.00 1.15 H new ATOM 0 HD3 LYS A 13 19.802 5.511 -4.980 1.00 1.15 H new ATOM 0 HE2 LYS A 13 17.754 6.881 -4.347 1.00 0.47 H new ATOM 0 HE3 LYS A 13 18.580 7.387 -2.886 1.00 0.47 H new ATOM 0 HZ1 LYS A 13 19.240 9.046 -4.316 1.00 0.41 H new ATOM 0 HZ2 LYS A 13 20.497 7.943 -4.610 1.00 0.41 H new ATOM 0 HZ3 LYS A 13 19.194 8.053 -5.692 1.00 0.41 H new ATOM 198 N HIS A 14 19.722 3.281 1.275 1.00 0.58 N ATOM 199 CA HIS A 14 20.363 3.477 2.600 1.00 0.58 C ATOM 200 C HIS A 14 21.194 2.197 2.836 1.00 0.48 C ATOM 201 O HIS A 14 21.716 1.990 3.917 1.00 0.60 O ATOM 202 CB HIS A 14 19.281 3.661 3.714 1.00 0.69 C ATOM 203 CG HIS A 14 18.627 5.035 3.668 1.00 0.80 C ATOM 204 ND1 HIS A 14 17.599 5.331 2.956 1.00 0.60 N ATOM 205 CD2 HIS A 14 18.940 6.211 4.321 1.00 1.15 C ATOM 206 CE1 HIS A 14 17.280 6.578 3.134 1.00 0.78 C ATOM 207 NE2 HIS A 14 18.093 7.162 3.979 1.00 1.13 N ATOM 0 H HIS A 14 18.930 2.639 1.268 1.00 0.58 H new ATOM 0 HA HIS A 14 20.984 4.372 2.629 1.00 0.58 H new ATOM 0 HB2 HIS A 14 18.515 2.893 3.603 1.00 0.69 H new ATOM 0 HB3 HIS A 14 19.741 3.513 4.691 1.00 0.69 H new ATOM 0 HD1 HIS A 14 17.106 4.683 2.342 1.00 0.60 H new ATOM 0 HD2 HIS A 14 19.761 6.334 5.012 1.00 1.15 H new ATOM 0 HE1 HIS A 14 16.451 7.070 2.648 1.00 0.78 H new ATOM 215 N LEU A 15 21.304 1.347 1.830 1.00 0.29 N ATOM 216 CA LEU A 15 22.095 0.111 1.958 1.00 0.25 C ATOM 217 C LEU A 15 23.541 0.557 1.979 1.00 0.31 C ATOM 218 O LEU A 15 24.216 0.459 0.978 1.00 0.64 O ATOM 219 CB LEU A 15 21.857 -0.742 0.754 1.00 0.23 C ATOM 220 CG LEU A 15 20.489 -1.304 0.757 1.00 0.30 C ATOM 221 CD1 LEU A 15 20.286 -1.872 -0.612 1.00 0.33 C ATOM 222 CD2 LEU A 15 20.384 -2.434 1.718 1.00 0.38 C ATOM 0 H LEU A 15 20.864 1.478 0.919 1.00 0.29 H new ATOM 0 HA LEU A 15 21.832 -0.460 2.849 1.00 0.25 H new ATOM 0 HB2 LEU A 15 22.008 -0.151 -0.149 1.00 0.23 H new ATOM 0 HB3 LEU A 15 22.586 -1.552 0.730 1.00 0.23 H new ATOM 0 HG LEU A 15 19.764 -0.538 1.030 1.00 0.30 H new ATOM 0 HD11 LEU A 15 19.289 -2.307 -0.681 1.00 0.33 H new ATOM 0 HD12 LEU A 15 20.389 -1.080 -1.354 1.00 0.33 H new ATOM 0 HD13 LEU A 15 21.032 -2.644 -0.800 1.00 0.33 H new ATOM 0 HD21 LEU A 15 19.369 -2.831 1.703 1.00 0.38 H new ATOM 0 HD22 LEU A 15 21.085 -3.219 1.435 1.00 0.38 H new ATOM 0 HD23 LEU A 15 20.621 -2.081 2.722 1.00 0.38 H new ATOM 234 N LYS A 16 23.953 1.050 3.114 1.00 0.38 N ATOM 235 CA LYS A 16 25.342 1.543 3.374 1.00 0.56 C ATOM 236 C LYS A 16 26.460 0.913 2.531 1.00 0.49 C ATOM 237 O LYS A 16 27.520 1.472 2.341 1.00 0.60 O ATOM 238 CB LYS A 16 25.616 1.327 4.893 1.00 0.72 C ATOM 239 CG LYS A 16 25.428 -0.172 5.320 1.00 1.46 C ATOM 240 CD LYS A 16 25.730 -0.248 6.850 1.00 1.47 C ATOM 241 CE LYS A 16 25.723 -1.678 7.431 1.00 2.64 C ATOM 242 NZ LYS A 16 24.329 -2.223 7.469 1.00 3.20 N ATOM 0 H LYS A 16 23.342 1.137 3.926 1.00 0.38 H new ATOM 0 HA LYS A 16 25.371 2.590 3.074 1.00 0.56 H new ATOM 0 HB2 LYS A 16 26.632 1.645 5.126 1.00 0.72 H new ATOM 0 HB3 LYS A 16 24.943 1.956 5.475 1.00 0.72 H new ATOM 0 HG2 LYS A 16 24.413 -0.509 5.109 1.00 1.46 H new ATOM 0 HG3 LYS A 16 26.102 -0.821 4.760 1.00 1.46 H new ATOM 0 HD2 LYS A 16 26.704 0.203 7.038 1.00 1.47 H new ATOM 0 HD3 LYS A 16 24.993 0.352 7.384 1.00 1.47 H new ATOM 0 HE2 LYS A 16 26.356 -2.326 6.825 1.00 2.64 H new ATOM 0 HE3 LYS A 16 26.144 -1.670 8.436 1.00 2.64 H new ATOM 0 HZ1 LYS A 16 24.171 -2.711 8.374 1.00 3.20 H new ATOM 0 HZ2 LYS A 16 23.648 -1.442 7.373 1.00 3.20 H new ATOM 0 HZ3 LYS A 16 24.198 -2.895 6.686 1.00 3.20 H new ATOM 256 N THR A 17 26.183 -0.260 2.062 1.00 0.31 N ATOM 257 CA THR A 17 27.131 -1.037 1.243 1.00 0.21 C ATOM 258 C THR A 17 26.809 -1.629 -0.149 1.00 0.20 C ATOM 259 O THR A 17 26.265 -2.709 -0.224 1.00 0.28 O ATOM 260 CB THR A 17 27.591 -2.107 2.219 1.00 0.20 C ATOM 261 OG1 THR A 17 28.348 -1.393 3.189 1.00 0.45 O ATOM 262 CG2 THR A 17 28.514 -3.030 1.564 1.00 0.39 C ATOM 0 H THR A 17 25.293 -0.732 2.223 1.00 0.31 H new ATOM 0 HA THR A 17 27.844 -0.309 0.856 1.00 0.21 H new ATOM 0 HB THR A 17 26.747 -2.669 2.619 1.00 0.20 H new ATOM 0 HG1 THR A 17 28.685 -2.017 3.865 1.00 0.45 H new ATOM 0 HG21 THR A 17 28.835 -3.790 2.276 1.00 0.39 H new ATOM 0 HG22 THR A 17 28.014 -3.509 0.722 1.00 0.39 H new ATOM 0 HG23 THR A 17 29.384 -2.480 1.204 1.00 0.39 H new ATOM 270 N LYS A 18 27.136 -0.904 -1.189 1.00 0.19 N ATOM 271 CA LYS A 18 26.951 -1.288 -2.647 1.00 0.24 C ATOM 272 C LYS A 18 26.718 -2.810 -2.808 1.00 0.21 C ATOM 273 O LYS A 18 27.668 -3.529 -3.096 1.00 0.38 O ATOM 274 CB LYS A 18 28.231 -0.892 -3.430 1.00 0.34 C ATOM 275 CG LYS A 18 28.095 -1.177 -4.962 1.00 1.31 C ATOM 276 CD LYS A 18 29.467 -1.630 -5.560 1.00 1.36 C ATOM 277 CE LYS A 18 29.773 -3.063 -5.088 1.00 1.70 C ATOM 278 NZ LYS A 18 28.685 -3.932 -5.608 1.00 2.61 N ATOM 0 H LYS A 18 27.560 0.018 -1.085 1.00 0.19 H new ATOM 0 HA LYS A 18 26.076 -0.766 -3.033 1.00 0.24 H new ATOM 0 HB2 LYS A 18 28.437 0.167 -3.276 1.00 0.34 H new ATOM 0 HB3 LYS A 18 29.083 -1.444 -3.033 1.00 0.34 H new ATOM 0 HG2 LYS A 18 27.346 -1.951 -5.129 1.00 1.31 H new ATOM 0 HG3 LYS A 18 27.746 -0.281 -5.475 1.00 1.31 H new ATOM 0 HD2 LYS A 18 29.434 -1.592 -6.649 1.00 1.36 H new ATOM 0 HD3 LYS A 18 30.259 -0.952 -5.241 1.00 1.36 H new ATOM 0 HE2 LYS A 18 30.742 -3.393 -5.461 1.00 1.70 H new ATOM 0 HE3 LYS A 18 29.817 -3.110 -4.000 1.00 1.70 H new ATOM 0 HZ1 LYS A 18 28.059 -4.211 -4.825 1.00 2.61 H new ATOM 0 HZ2 LYS A 18 28.136 -3.411 -6.321 1.00 2.61 H new ATOM 0 HZ3 LYS A 18 29.097 -4.783 -6.042 1.00 2.61 H new ATOM 292 N PRO A 19 25.503 -3.268 -2.635 1.00 0.12 N ATOM 293 CA PRO A 19 25.220 -4.713 -2.761 1.00 0.10 C ATOM 294 C PRO A 19 25.850 -5.374 -3.980 1.00 0.06 C ATOM 295 O PRO A 19 26.350 -4.691 -4.855 1.00 0.06 O ATOM 296 CB PRO A 19 23.716 -4.751 -2.733 1.00 0.13 C ATOM 297 CG PRO A 19 23.370 -3.546 -1.808 1.00 0.19 C ATOM 298 CD PRO A 19 24.297 -2.457 -2.305 1.00 0.24 C ATOM 0 HA PRO A 19 25.671 -5.306 -1.965 1.00 0.10 H new ATOM 0 HB2 PRO A 19 23.288 -4.635 -3.729 1.00 0.13 H new ATOM 0 HB3 PRO A 19 23.340 -5.692 -2.332 1.00 0.13 H new ATOM 0 HG2 PRO A 19 22.323 -3.256 -1.897 1.00 0.19 H new ATOM 0 HG3 PRO A 19 23.548 -3.779 -0.758 1.00 0.19 H new ATOM 0 HD2 PRO A 19 23.897 -1.934 -3.174 1.00 0.24 H new ATOM 0 HD3 PRO A 19 24.498 -1.703 -1.544 1.00 0.24 H new ATOM 306 N ALA A 20 25.839 -6.679 -4.032 1.00 0.10 N ATOM 307 CA ALA A 20 26.449 -7.353 -5.227 1.00 0.07 C ATOM 308 C ALA A 20 25.886 -6.577 -6.430 1.00 0.17 C ATOM 309 O ALA A 20 24.688 -6.365 -6.541 1.00 0.32 O ATOM 310 CB ALA A 20 26.025 -8.822 -5.268 1.00 0.21 C ATOM 0 H ALA A 20 25.447 -7.298 -3.323 1.00 0.10 H new ATOM 0 HA ALA A 20 27.539 -7.346 -5.214 1.00 0.07 H new ATOM 0 HB1 ALA A 20 26.471 -9.305 -6.137 1.00 0.21 H new ATOM 0 HB2 ALA A 20 26.363 -9.324 -4.361 1.00 0.21 H new ATOM 0 HB3 ALA A 20 24.939 -8.885 -5.335 1.00 0.21 H new ATOM 316 N ASP A 21 26.743 -6.149 -7.307 1.00 0.18 N ATOM 317 CA ASP A 21 26.246 -5.384 -8.482 1.00 0.38 C ATOM 318 C ASP A 21 25.082 -6.092 -9.168 1.00 0.46 C ATOM 319 O ASP A 21 24.345 -5.440 -9.873 1.00 0.59 O ATOM 320 CB ASP A 21 27.513 -5.170 -9.306 1.00 0.52 C ATOM 321 CG ASP A 21 28.409 -4.323 -8.421 1.00 0.61 C ATOM 322 OD1 ASP A 21 28.018 -3.193 -8.171 1.00 1.63 O ATOM 323 OD2 ASP A 21 29.427 -4.842 -8.001 1.00 1.25 O ATOM 0 H ASP A 21 27.752 -6.291 -7.266 1.00 0.18 H new ATOM 0 HA ASP A 21 25.786 -4.423 -8.253 1.00 0.38 H new ATOM 0 HB2 ASP A 21 27.987 -6.119 -9.557 1.00 0.52 H new ATOM 0 HB3 ASP A 21 27.293 -4.665 -10.246 1.00 0.52 H new ATOM 328 N GLU A 22 24.958 -7.377 -8.909 1.00 0.51 N ATOM 329 CA GLU A 22 23.899 -8.289 -9.443 1.00 0.42 C ATOM 330 C GLU A 22 22.538 -7.990 -8.731 1.00 0.35 C ATOM 331 O GLU A 22 21.463 -7.941 -9.314 1.00 0.29 O ATOM 332 CB GLU A 22 24.347 -9.764 -9.189 1.00 0.49 C ATOM 333 CG GLU A 22 25.599 -10.145 -10.064 1.00 0.49 C ATOM 334 CD GLU A 22 26.121 -11.593 -9.840 1.00 0.48 C ATOM 335 OE1 GLU A 22 25.551 -12.298 -9.024 1.00 1.11 O ATOM 336 OE2 GLU A 22 27.086 -11.924 -10.513 1.00 1.07 O ATOM 0 H GLU A 22 25.611 -7.863 -8.294 1.00 0.51 H new ATOM 0 HA GLU A 22 23.762 -8.132 -10.513 1.00 0.42 H new ATOM 0 HB2 GLU A 22 24.585 -9.896 -8.134 1.00 0.49 H new ATOM 0 HB3 GLU A 22 23.523 -10.440 -9.417 1.00 0.49 H new ATOM 0 HG2 GLU A 22 25.343 -10.023 -11.116 1.00 0.49 H new ATOM 0 HG3 GLU A 22 26.405 -9.444 -9.849 1.00 0.49 H new ATOM 343 N GLU A 23 22.648 -7.766 -7.452 1.00 0.39 N ATOM 344 CA GLU A 23 21.449 -7.467 -6.612 1.00 0.37 C ATOM 345 C GLU A 23 21.101 -5.995 -6.888 1.00 0.45 C ATOM 346 O GLU A 23 19.933 -5.641 -6.970 1.00 0.48 O ATOM 347 CB GLU A 23 21.821 -7.713 -5.132 1.00 0.27 C ATOM 348 CG GLU A 23 22.114 -9.260 -4.900 1.00 0.15 C ATOM 349 CD GLU A 23 22.626 -9.529 -3.464 1.00 0.70 C ATOM 350 OE1 GLU A 23 23.306 -8.648 -2.978 1.00 1.64 O ATOM 351 OE2 GLU A 23 22.338 -10.582 -2.901 1.00 0.93 O ATOM 0 H GLU A 23 23.532 -7.777 -6.942 1.00 0.39 H new ATOM 0 HA GLU A 23 20.589 -8.097 -6.839 1.00 0.37 H new ATOM 0 HB2 GLU A 23 22.698 -7.123 -4.865 1.00 0.27 H new ATOM 0 HB3 GLU A 23 21.008 -7.386 -4.484 1.00 0.27 H new ATOM 0 HG2 GLU A 23 21.205 -9.835 -5.077 1.00 0.15 H new ATOM 0 HG3 GLU A 23 22.854 -9.604 -5.622 1.00 0.15 H new ATOM 358 N MET A 24 22.130 -5.183 -7.049 1.00 0.49 N ATOM 359 CA MET A 24 21.934 -3.737 -7.328 1.00 0.57 C ATOM 360 C MET A 24 21.284 -3.862 -8.700 1.00 0.54 C ATOM 361 O MET A 24 20.281 -3.237 -8.954 1.00 0.51 O ATOM 362 CB MET A 24 23.335 -3.089 -7.293 1.00 0.67 C ATOM 363 CG MET A 24 23.781 -2.865 -5.833 1.00 0.80 C ATOM 364 SD MET A 24 25.132 -1.693 -5.537 1.00 0.87 S ATOM 365 CE MET A 24 24.539 -0.262 -6.470 1.00 0.52 C ATOM 0 H MET A 24 23.105 -5.477 -6.996 1.00 0.49 H new ATOM 0 HA MET A 24 21.338 -3.119 -6.657 1.00 0.57 H new ATOM 0 HB2 MET A 24 24.053 -3.729 -7.806 1.00 0.67 H new ATOM 0 HB3 MET A 24 23.318 -2.138 -7.826 1.00 0.67 H new ATOM 0 HG2 MET A 24 22.914 -2.528 -5.265 1.00 0.80 H new ATOM 0 HG3 MET A 24 24.077 -3.830 -5.421 1.00 0.80 H new ATOM 0 HE1 MET A 24 25.128 -0.152 -7.380 1.00 0.52 H new ATOM 0 HE2 MET A 24 23.491 -0.407 -6.732 1.00 0.52 H new ATOM 0 HE3 MET A 24 24.640 0.637 -5.861 1.00 0.52 H new ATOM 375 N LEU A 25 21.887 -4.652 -9.553 1.00 0.56 N ATOM 376 CA LEU A 25 21.378 -4.914 -10.901 1.00 0.58 C ATOM 377 C LEU A 25 19.837 -5.076 -10.880 1.00 0.53 C ATOM 378 O LEU A 25 19.143 -4.198 -11.361 1.00 0.68 O ATOM 379 CB LEU A 25 22.040 -6.183 -11.411 1.00 0.52 C ATOM 380 CG LEU A 25 23.062 -5.875 -12.443 1.00 0.30 C ATOM 381 CD1 LEU A 25 24.165 -6.872 -12.489 1.00 0.34 C ATOM 382 CD2 LEU A 25 22.369 -6.005 -13.817 1.00 0.34 C ATOM 0 H LEU A 25 22.756 -5.143 -9.341 1.00 0.56 H new ATOM 0 HA LEU A 25 21.610 -4.077 -11.559 1.00 0.58 H new ATOM 0 HB2 LEU A 25 22.506 -6.713 -10.580 1.00 0.52 H new ATOM 0 HB3 LEU A 25 21.285 -6.848 -11.830 1.00 0.52 H new ATOM 0 HG LEU A 25 23.467 -4.890 -12.212 1.00 0.30 H new ATOM 0 HD11 LEU A 25 24.878 -6.590 -13.263 1.00 0.34 H new ATOM 0 HD12 LEU A 25 24.670 -6.901 -11.523 1.00 0.34 H new ATOM 0 HD13 LEU A 25 23.756 -7.857 -12.714 1.00 0.34 H new ATOM 0 HD21 LEU A 25 23.086 -5.786 -14.608 1.00 0.34 H new ATOM 0 HD22 LEU A 25 21.992 -7.020 -13.940 1.00 0.34 H new ATOM 0 HD23 LEU A 25 21.539 -5.300 -13.874 1.00 0.34 H new ATOM 394 N PHE A 26 19.392 -6.184 -10.331 1.00 0.33 N ATOM 395 CA PHE A 26 17.925 -6.475 -10.243 1.00 0.28 C ATOM 396 C PHE A 26 17.122 -5.241 -9.839 1.00 0.21 C ATOM 397 O PHE A 26 16.245 -4.772 -10.545 1.00 0.22 O ATOM 398 CB PHE A 26 17.688 -7.575 -9.204 1.00 0.27 C ATOM 399 CG PHE A 26 16.182 -7.858 -9.144 1.00 0.22 C ATOM 400 CD1 PHE A 26 15.334 -7.125 -8.318 1.00 1.45 C ATOM 401 CD2 PHE A 26 15.657 -8.859 -9.937 1.00 1.17 C ATOM 402 CE1 PHE A 26 13.985 -7.404 -8.300 1.00 1.40 C ATOM 403 CE2 PHE A 26 14.309 -9.132 -9.915 1.00 1.23 C ATOM 404 CZ PHE A 26 13.479 -8.403 -9.096 1.00 0.22 C ATOM 0 H PHE A 26 19.992 -6.908 -9.935 1.00 0.33 H new ATOM 0 HA PHE A 26 17.592 -6.793 -11.231 1.00 0.28 H new ATOM 0 HB2 PHE A 26 18.234 -8.478 -9.475 1.00 0.27 H new ATOM 0 HB3 PHE A 26 18.055 -7.261 -8.227 1.00 0.27 H new ATOM 0 HD1 PHE A 26 15.733 -6.340 -7.693 1.00 1.45 H new ATOM 0 HD2 PHE A 26 16.310 -9.432 -10.579 1.00 1.17 H new ATOM 0 HE1 PHE A 26 13.325 -6.837 -7.660 1.00 1.40 H new ATOM 0 HE2 PHE A 26 13.904 -9.916 -10.538 1.00 1.23 H new ATOM 0 HZ PHE A 26 12.421 -8.618 -9.078 1.00 0.22 H new ATOM 414 N ILE A 27 17.508 -4.801 -8.672 1.00 0.20 N ATOM 415 CA ILE A 27 16.904 -3.616 -8.010 1.00 0.21 C ATOM 416 C ILE A 27 16.817 -2.395 -8.962 1.00 0.35 C ATOM 417 O ILE A 27 15.734 -1.951 -9.286 1.00 0.30 O ATOM 418 CB ILE A 27 17.794 -3.435 -6.769 1.00 0.25 C ATOM 419 CG1 ILE A 27 17.578 -4.702 -5.818 1.00 0.26 C ATOM 420 CG2 ILE A 27 17.369 -2.169 -6.056 1.00 0.33 C ATOM 421 CD1 ILE A 27 16.518 -4.482 -4.758 1.00 0.30 C ATOM 0 H ILE A 27 18.253 -5.238 -8.129 1.00 0.20 H new ATOM 0 HA ILE A 27 15.859 -3.737 -7.726 1.00 0.21 H new ATOM 0 HB ILE A 27 18.846 -3.357 -7.043 1.00 0.25 H new ATOM 0 HG12 ILE A 27 17.300 -5.562 -6.427 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.522 -4.948 -5.332 1.00 0.26 H new ATOM 0 HG21 ILE A 27 17.990 -2.023 -5.172 1.00 0.33 H new ATOM 0 HG22 ILE A 27 17.486 -1.317 -6.726 1.00 0.33 H new ATOM 0 HG23 ILE A 27 16.324 -2.253 -5.756 1.00 0.33 H new ATOM 0 HD11 ILE A 27 16.422 -5.380 -4.148 1.00 0.30 H new ATOM 0 HD12 ILE A 27 16.805 -3.642 -4.125 1.00 0.30 H new ATOM 0 HD13 ILE A 27 15.563 -4.265 -5.237 1.00 0.30 H new ATOM 433 N TYR A 28 17.944 -1.886 -9.390 1.00 0.51 N ATOM 434 CA TYR A 28 17.976 -0.699 -10.328 1.00 0.70 C ATOM 435 C TYR A 28 16.953 -0.857 -11.436 1.00 0.78 C ATOM 436 O TYR A 28 16.097 -0.030 -11.592 1.00 0.83 O ATOM 437 CB TYR A 28 19.342 -0.576 -10.964 1.00 0.79 C ATOM 438 CG TYR A 28 19.464 0.636 -11.950 1.00 1.00 C ATOM 439 CD1 TYR A 28 19.886 1.861 -11.490 1.00 1.59 C ATOM 440 CD2 TYR A 28 19.189 0.541 -13.305 1.00 0.68 C ATOM 441 CE1 TYR A 28 20.040 2.948 -12.336 1.00 1.82 C ATOM 442 CE2 TYR A 28 19.343 1.637 -14.150 1.00 0.91 C ATOM 443 CZ TYR A 28 19.772 2.854 -13.682 1.00 1.47 C ATOM 444 OH TYR A 28 19.912 3.926 -14.552 1.00 1.66 O ATOM 0 H TYR A 28 18.864 -2.242 -9.130 1.00 0.51 H new ATOM 0 HA TYR A 28 17.747 0.191 -9.742 1.00 0.70 H new ATOM 0 HB2 TYR A 28 20.092 -0.473 -10.179 1.00 0.79 H new ATOM 0 HB3 TYR A 28 19.568 -1.497 -11.502 1.00 0.79 H new ATOM 0 HD1 TYR A 28 20.104 1.980 -10.439 1.00 1.59 H new ATOM 0 HD2 TYR A 28 18.849 -0.400 -13.713 1.00 0.68 H new ATOM 0 HE1 TYR A 28 20.378 3.890 -11.929 1.00 1.82 H new ATOM 0 HE2 TYR A 28 19.119 1.527 -15.201 1.00 0.91 H new ATOM 0 HH TYR A 28 20.712 4.439 -14.313 1.00 1.66 H new ATOM 454 N SER A 29 17.077 -1.919 -12.170 1.00 0.79 N ATOM 455 CA SER A 29 16.142 -2.202 -13.300 1.00 0.85 C ATOM 456 C SER A 29 14.701 -2.331 -12.799 1.00 0.57 C ATOM 457 O SER A 29 13.856 -1.636 -13.332 1.00 0.49 O ATOM 458 CB SER A 29 16.733 -3.478 -14.047 1.00 1.14 C ATOM 459 OG SER A 29 18.000 -3.734 -13.435 1.00 2.30 O ATOM 0 H SER A 29 17.802 -2.623 -12.036 1.00 0.79 H new ATOM 0 HA SER A 29 16.076 -1.386 -14.020 1.00 0.85 H new ATOM 0 HB2 SER A 29 16.068 -4.335 -13.943 1.00 1.14 H new ATOM 0 HB3 SER A 29 16.845 -3.289 -15.115 1.00 1.14 H new ATOM 0 HG SER A 29 17.874 -4.308 -12.650 1.00 2.30 H new ATOM 465 N HIS A 30 14.392 -3.147 -11.832 1.00 0.46 N ATOM 466 CA HIS A 30 12.973 -3.207 -11.392 1.00 0.27 C ATOM 467 C HIS A 30 12.518 -1.782 -11.023 1.00 0.14 C ATOM 468 O HIS A 30 11.445 -1.354 -11.405 1.00 0.10 O ATOM 469 CB HIS A 30 12.986 -4.204 -10.259 1.00 0.26 C ATOM 470 CG HIS A 30 12.976 -5.528 -10.997 1.00 0.40 C ATOM 471 ND1 HIS A 30 14.013 -6.071 -11.534 1.00 1.72 N ATOM 472 CD2 HIS A 30 11.930 -6.380 -11.284 1.00 0.80 C ATOM 473 CE1 HIS A 30 13.656 -7.174 -12.122 1.00 1.49 C ATOM 474 NE2 HIS A 30 12.371 -7.403 -11.988 1.00 0.22 N ATOM 0 H HIS A 30 15.041 -3.760 -11.339 1.00 0.46 H new ATOM 0 HA HIS A 30 12.253 -3.536 -12.141 1.00 0.27 H new ATOM 0 HB2 HIS A 30 13.870 -4.095 -9.631 1.00 0.26 H new ATOM 0 HB3 HIS A 30 12.118 -4.093 -9.609 1.00 0.26 H new ATOM 0 HD1 HIS A 30 14.961 -5.696 -11.503 1.00 1.72 H new ATOM 0 HD2 HIS A 30 10.905 -6.231 -10.978 1.00 0.80 H new ATOM 0 HE1 HIS A 30 14.334 -7.823 -12.656 1.00 1.49 H new ATOM 482 N TYR A 31 13.349 -1.101 -10.292 1.00 0.19 N ATOM 483 CA TYR A 31 13.072 0.291 -9.870 1.00 0.21 C ATOM 484 C TYR A 31 12.831 1.066 -11.215 1.00 0.29 C ATOM 485 O TYR A 31 11.707 1.406 -11.505 1.00 0.63 O ATOM 486 CB TYR A 31 14.302 0.697 -9.128 1.00 0.18 C ATOM 487 CG TYR A 31 14.273 2.111 -8.609 1.00 0.15 C ATOM 488 CD1 TYR A 31 13.448 2.547 -7.598 1.00 1.41 C ATOM 489 CD2 TYR A 31 15.139 2.978 -9.197 1.00 1.21 C ATOM 490 CE1 TYR A 31 13.510 3.866 -7.192 1.00 1.44 C ATOM 491 CE2 TYR A 31 15.195 4.289 -8.785 1.00 1.21 C ATOM 492 CZ TYR A 31 14.387 4.749 -7.779 1.00 0.38 C ATOM 493 OH TYR A 31 14.484 6.064 -7.374 1.00 0.56 O ATOM 0 H TYR A 31 14.241 -1.468 -9.959 1.00 0.19 H new ATOM 0 HA TYR A 31 12.212 0.466 -9.224 1.00 0.21 H new ATOM 0 HB2 TYR A 31 14.447 0.017 -8.289 1.00 0.18 H new ATOM 0 HB3 TYR A 31 15.164 0.581 -9.785 1.00 0.18 H new ATOM 0 HD1 TYR A 31 12.758 1.864 -7.126 1.00 1.41 H new ATOM 0 HD2 TYR A 31 15.786 2.636 -9.991 1.00 1.21 H new ATOM 0 HE1 TYR A 31 12.860 4.210 -6.401 1.00 1.44 H new ATOM 0 HE2 TYR A 31 15.887 4.967 -9.262 1.00 1.21 H new ATOM 0 HH TYR A 31 15.162 6.523 -7.912 1.00 0.56 H new ATOM 503 N LYS A 32 13.866 1.323 -11.986 1.00 0.36 N ATOM 504 CA LYS A 32 13.800 2.050 -13.319 1.00 0.38 C ATOM 505 C LYS A 32 12.506 1.699 -14.102 1.00 0.42 C ATOM 506 O LYS A 32 11.857 2.563 -14.645 1.00 0.58 O ATOM 507 CB LYS A 32 15.062 1.680 -14.103 1.00 0.39 C ATOM 508 CG LYS A 32 16.402 2.266 -13.475 1.00 0.60 C ATOM 509 CD LYS A 32 16.305 3.646 -12.698 1.00 0.39 C ATOM 510 CE LYS A 32 16.686 4.823 -13.593 1.00 0.72 C ATOM 511 NZ LYS A 32 18.080 5.291 -13.269 1.00 0.92 N ATOM 0 H LYS A 32 14.814 1.043 -11.735 1.00 0.36 H new ATOM 0 HA LYS A 32 13.761 3.128 -13.160 1.00 0.38 H new ATOM 0 HB2 LYS A 32 15.141 0.594 -14.156 1.00 0.39 H new ATOM 0 HB3 LYS A 32 14.962 2.042 -15.126 1.00 0.39 H new ATOM 0 HG2 LYS A 32 16.805 1.521 -12.789 1.00 0.60 H new ATOM 0 HG3 LYS A 32 17.127 2.384 -14.280 1.00 0.60 H new ATOM 0 HD2 LYS A 32 15.290 3.784 -12.326 1.00 0.39 H new ATOM 0 HD3 LYS A 32 16.962 3.622 -11.829 1.00 0.39 H new ATOM 0 HE2 LYS A 32 16.628 4.527 -14.640 1.00 0.72 H new ATOM 0 HE3 LYS A 32 15.978 5.640 -13.453 1.00 0.72 H new ATOM 0 HZ1 LYS A 32 18.316 6.113 -13.860 1.00 0.92 H new ATOM 0 HZ2 LYS A 32 18.132 5.560 -12.266 1.00 0.92 H new ATOM 0 HZ3 LYS A 32 18.756 4.524 -13.457 1.00 0.92 H new ATOM 525 N GLN A 33 12.143 0.455 -14.214 1.00 0.32 N ATOM 526 CA GLN A 33 10.858 0.189 -14.949 1.00 0.37 C ATOM 527 C GLN A 33 9.682 0.782 -14.163 1.00 0.43 C ATOM 528 O GLN A 33 8.869 1.503 -14.706 1.00 0.53 O ATOM 529 CB GLN A 33 10.670 -1.301 -15.145 1.00 0.37 C ATOM 530 CG GLN A 33 10.325 -1.584 -16.649 1.00 0.60 C ATOM 531 CD GLN A 33 8.857 -1.256 -16.962 1.00 0.73 C ATOM 532 OE1 GLN A 33 8.404 -1.407 -18.070 1.00 1.62 O ATOM 533 NE2 GLN A 33 8.052 -0.826 -16.046 1.00 0.80 N ATOM 0 H GLN A 33 12.643 -0.358 -13.853 1.00 0.32 H new ATOM 0 HA GLN A 33 10.899 0.662 -15.930 1.00 0.37 H new ATOM 0 HB2 GLN A 33 11.577 -1.835 -14.861 1.00 0.37 H new ATOM 0 HB3 GLN A 33 9.870 -1.667 -14.501 1.00 0.37 H new ATOM 0 HG2 GLN A 33 10.976 -0.990 -17.291 1.00 0.60 H new ATOM 0 HG3 GLN A 33 10.521 -2.632 -16.877 1.00 0.60 H new ATOM 0 HE21 GLN A 33 8.391 -0.684 -15.095 1.00 0.80 H new ATOM 0 HE22 GLN A 33 7.078 -0.629 -16.275 1.00 0.80 H new ATOM 542 N ALA A 34 9.606 0.481 -12.900 1.00 0.37 N ATOM 543 CA ALA A 34 8.495 1.013 -12.047 1.00 0.46 C ATOM 544 C ALA A 34 8.394 2.578 -12.134 1.00 0.57 C ATOM 545 O ALA A 34 7.366 3.219 -12.302 1.00 0.75 O ATOM 546 CB ALA A 34 8.802 0.577 -10.630 1.00 0.45 C ATOM 0 H ALA A 34 10.271 -0.118 -12.410 1.00 0.37 H new ATOM 0 HA ALA A 34 7.534 0.627 -12.387 1.00 0.46 H new ATOM 0 HB1 ALA A 34 8.021 0.939 -9.961 1.00 0.45 H new ATOM 0 HB2 ALA A 34 8.843 -0.511 -10.585 1.00 0.45 H new ATOM 0 HB3 ALA A 34 9.763 0.989 -10.323 1.00 0.45 H new ATOM 552 N THR A 35 9.572 3.120 -12.041 1.00 0.50 N ATOM 553 CA THR A 35 9.828 4.599 -12.062 1.00 0.66 C ATOM 554 C THR A 35 9.765 5.153 -13.470 1.00 0.64 C ATOM 555 O THR A 35 8.899 5.947 -13.774 1.00 0.63 O ATOM 556 CB THR A 35 11.232 4.826 -11.413 1.00 0.81 C ATOM 557 OG1 THR A 35 12.084 3.958 -12.147 1.00 0.78 O ATOM 558 CG2 THR A 35 11.272 4.263 -9.994 1.00 0.70 C ATOM 0 H THR A 35 10.424 2.568 -11.945 1.00 0.50 H new ATOM 0 HA THR A 35 9.059 5.130 -11.501 1.00 0.66 H new ATOM 0 HB THR A 35 11.488 5.885 -11.411 1.00 0.81 H new ATOM 0 HG1 THR A 35 12.861 3.722 -11.599 1.00 0.78 H new ATOM 0 HG21 THR A 35 12.259 4.433 -9.563 1.00 0.70 H new ATOM 0 HG22 THR A 35 10.519 4.761 -9.384 1.00 0.70 H new ATOM 0 HG23 THR A 35 11.067 3.193 -10.021 1.00 0.70 H new ATOM 566 N VAL A 36 10.647 4.723 -14.307 1.00 0.62 N ATOM 567 CA VAL A 36 10.676 5.208 -15.724 1.00 0.62 C ATOM 568 C VAL A 36 9.593 4.513 -16.577 1.00 0.53 C ATOM 569 O VAL A 36 8.545 5.056 -16.879 1.00 0.41 O ATOM 570 CB VAL A 36 12.098 4.912 -16.387 1.00 0.64 C ATOM 571 CG1 VAL A 36 12.137 5.565 -17.789 1.00 0.69 C ATOM 572 CG2 VAL A 36 13.263 5.413 -15.593 1.00 0.75 C ATOM 0 H VAL A 36 11.370 4.041 -14.077 1.00 0.62 H new ATOM 0 HA VAL A 36 10.486 6.281 -15.700 1.00 0.62 H new ATOM 0 HB VAL A 36 12.198 3.828 -16.433 1.00 0.64 H new ATOM 0 HG11 VAL A 36 13.103 5.371 -18.254 1.00 0.69 H new ATOM 0 HG12 VAL A 36 11.345 5.144 -18.409 1.00 0.69 H new ATOM 0 HG13 VAL A 36 11.990 6.641 -17.694 1.00 0.69 H new ATOM 0 HG21 VAL A 36 14.189 5.171 -16.114 1.00 0.75 H new ATOM 0 HG22 VAL A 36 13.185 6.494 -15.475 1.00 0.75 H new ATOM 0 HG23 VAL A 36 13.264 4.940 -14.611 1.00 0.75 H new ATOM 582 N GLY A 37 9.926 3.294 -16.879 1.00 0.61 N ATOM 583 CA GLY A 37 9.096 2.358 -17.725 1.00 0.55 C ATOM 584 C GLY A 37 9.915 1.892 -18.959 1.00 0.60 C ATOM 585 O GLY A 37 10.641 0.925 -18.824 1.00 0.64 O ATOM 0 H GLY A 37 10.796 2.871 -16.557 1.00 0.61 H new ATOM 0 HA2 GLY A 37 8.790 1.495 -17.134 1.00 0.55 H new ATOM 0 HA3 GLY A 37 8.185 2.860 -18.051 1.00 0.55 H new ATOM 589 N ASP A 38 9.816 2.558 -20.085 1.00 0.64 N ATOM 590 CA ASP A 38 10.586 2.141 -21.303 1.00 0.68 C ATOM 591 C ASP A 38 11.987 2.755 -21.409 1.00 0.86 C ATOM 592 O ASP A 38 12.210 3.948 -21.308 1.00 1.26 O ATOM 593 CB ASP A 38 9.839 2.552 -22.560 1.00 0.67 C ATOM 594 CG ASP A 38 8.592 1.769 -22.826 1.00 0.62 C ATOM 595 OD1 ASP A 38 8.798 0.758 -23.477 1.00 1.42 O ATOM 596 OD2 ASP A 38 7.556 2.223 -22.386 1.00 1.14 O ATOM 0 H ASP A 38 9.228 3.382 -20.214 1.00 0.64 H new ATOM 0 HA ASP A 38 10.690 1.060 -21.206 1.00 0.68 H new ATOM 0 HB2 ASP A 38 9.580 3.608 -22.484 1.00 0.67 H new ATOM 0 HB3 ASP A 38 10.507 2.448 -23.415 1.00 0.67 H new ATOM 601 N ILE A 39 12.932 1.902 -21.637 1.00 0.66 N ATOM 602 CA ILE A 39 14.321 2.425 -21.753 1.00 0.79 C ATOM 603 C ILE A 39 14.602 3.310 -23.008 1.00 0.81 C ATOM 604 O ILE A 39 14.437 2.916 -24.146 1.00 0.81 O ATOM 605 CB ILE A 39 15.174 1.166 -21.663 1.00 0.82 C ATOM 606 CG1 ILE A 39 16.654 1.528 -21.625 1.00 0.93 C ATOM 607 CG2 ILE A 39 14.881 0.263 -22.865 1.00 0.82 C ATOM 608 CD1 ILE A 39 17.378 0.312 -21.106 1.00 0.90 C ATOM 0 H ILE A 39 12.817 0.894 -21.746 1.00 0.66 H new ATOM 0 HA ILE A 39 14.549 3.145 -20.967 1.00 0.79 H new ATOM 0 HB ILE A 39 14.927 0.634 -20.744 1.00 0.82 H new ATOM 0 HG12 ILE A 39 17.013 1.799 -22.618 1.00 0.93 H new ATOM 0 HG13 ILE A 39 16.827 2.388 -20.978 1.00 0.93 H new ATOM 0 HG21 ILE A 39 15.491 -0.638 -22.801 1.00 0.82 H new ATOM 0 HG22 ILE A 39 13.826 -0.012 -22.865 1.00 0.82 H new ATOM 0 HG23 ILE A 39 15.117 0.796 -23.786 1.00 0.82 H new ATOM 0 HD11 ILE A 39 18.447 0.518 -21.059 1.00 0.90 H new ATOM 0 HD12 ILE A 39 17.011 0.068 -20.109 1.00 0.90 H new ATOM 0 HD13 ILE A 39 17.200 -0.530 -21.775 1.00 0.90 H new ATOM 620 N ASN A 40 15.016 4.522 -22.726 1.00 0.85 N ATOM 621 CA ASN A 40 15.352 5.544 -23.780 1.00 0.95 C ATOM 622 C ASN A 40 16.754 6.150 -23.476 1.00 1.01 C ATOM 623 O ASN A 40 17.010 7.326 -23.628 1.00 1.00 O ATOM 624 CB ASN A 40 14.198 6.590 -23.737 1.00 0.99 C ATOM 625 CG ASN A 40 14.056 7.190 -22.343 1.00 0.96 C ATOM 626 OD1 ASN A 40 14.523 8.264 -22.042 1.00 1.23 O ATOM 627 ND2 ASN A 40 13.418 6.541 -21.426 1.00 0.99 N ATOM 0 H ASN A 40 15.141 4.861 -21.772 1.00 0.85 H new ATOM 0 HA ASN A 40 15.421 5.128 -24.785 1.00 0.95 H new ATOM 0 HB2 ASN A 40 14.393 7.382 -24.460 1.00 0.99 H new ATOM 0 HB3 ASN A 40 13.261 6.116 -24.030 1.00 0.99 H new ATOM 0 HD21 ASN A 40 13.324 6.939 -20.491 1.00 0.99 H new ATOM 0 HD22 ASN A 40 13.008 5.631 -21.637 1.00 0.99 H new ATOM 634 N THR A 41 17.632 5.281 -23.047 1.00 1.05 N ATOM 635 CA THR A 41 19.051 5.670 -22.688 1.00 1.10 C ATOM 636 C THR A 41 20.053 4.736 -23.400 1.00 1.08 C ATOM 637 O THR A 41 19.634 3.942 -24.221 1.00 1.06 O ATOM 638 CB THR A 41 19.209 5.590 -21.118 1.00 0.97 C ATOM 639 OG1 THR A 41 19.418 4.233 -20.758 1.00 0.84 O ATOM 640 CG2 THR A 41 17.844 5.773 -20.415 1.00 1.05 C ATOM 0 H THR A 41 17.429 4.289 -22.924 1.00 1.05 H new ATOM 0 HA THR A 41 19.261 6.688 -23.018 1.00 1.10 H new ATOM 0 HB THR A 41 19.979 6.315 -20.855 1.00 0.97 H new ATOM 0 HG1 THR A 41 20.266 3.921 -21.137 1.00 0.84 H new ATOM 0 HG21 THR A 41 17.980 5.714 -19.335 1.00 1.05 H new ATOM 0 HG22 THR A 41 17.428 6.746 -20.676 1.00 1.05 H new ATOM 0 HG23 THR A 41 17.160 4.988 -20.738 1.00 1.05 H new ATOM 648 N GLU A 42 21.331 4.800 -23.105 1.00 1.14 N ATOM 649 CA GLU A 42 22.375 3.910 -23.771 1.00 1.20 C ATOM 650 C GLU A 42 23.052 2.724 -23.055 1.00 1.26 C ATOM 651 O GLU A 42 22.905 2.518 -21.870 1.00 1.24 O ATOM 652 CB GLU A 42 23.418 4.874 -24.273 1.00 1.34 C ATOM 653 CG GLU A 42 22.652 5.620 -25.353 1.00 2.55 C ATOM 654 CD GLU A 42 23.327 6.871 -25.873 1.00 2.75 C ATOM 655 OE1 GLU A 42 24.475 7.077 -25.520 1.00 2.44 O ATOM 656 OE2 GLU A 42 22.616 7.540 -26.602 1.00 3.83 O ATOM 0 H GLU A 42 21.717 5.444 -22.415 1.00 1.14 H new ATOM 0 HA GLU A 42 21.804 3.330 -24.496 1.00 1.20 H new ATOM 0 HB2 GLU A 42 23.771 5.541 -23.487 1.00 1.34 H new ATOM 0 HB3 GLU A 42 24.293 4.360 -24.672 1.00 1.34 H new ATOM 0 HG2 GLU A 42 22.483 4.943 -26.190 1.00 2.55 H new ATOM 0 HG3 GLU A 42 21.672 5.891 -24.960 1.00 2.55 H new ATOM 663 N ARG A 43 23.800 1.998 -23.860 1.00 1.35 N ATOM 664 CA ARG A 43 24.566 0.747 -23.426 1.00 1.45 C ATOM 665 C ARG A 43 26.132 0.527 -23.075 1.00 1.91 C ATOM 666 O ARG A 43 26.879 0.012 -23.886 1.00 2.37 O ATOM 667 CB ARG A 43 24.102 -0.241 -24.493 1.00 1.43 C ATOM 668 CG ARG A 43 24.362 -1.704 -24.106 1.00 1.52 C ATOM 669 CD ARG A 43 23.359 -2.492 -24.934 1.00 1.49 C ATOM 670 NE ARG A 43 23.512 -3.948 -24.644 1.00 1.68 N ATOM 671 CZ ARG A 43 23.445 -4.820 -25.560 1.00 1.94 C ATOM 672 NH1 ARG A 43 24.218 -4.715 -26.556 1.00 2.08 N ATOM 673 NH2 ARG A 43 22.593 -5.745 -25.400 1.00 2.58 N ATOM 0 H ARG A 43 23.924 2.222 -24.847 1.00 1.35 H new ATOM 0 HA ARG A 43 24.341 0.699 -22.361 1.00 1.45 H new ATOM 0 HB2 ARG A 43 23.036 -0.102 -24.671 1.00 1.43 H new ATOM 0 HB3 ARG A 43 24.613 -0.022 -25.431 1.00 1.43 H new ATOM 0 HG2 ARG A 43 25.386 -2.000 -24.333 1.00 1.52 H new ATOM 0 HG3 ARG A 43 24.212 -1.866 -23.039 1.00 1.52 H new ATOM 0 HD2 ARG A 43 22.345 -2.168 -24.701 1.00 1.49 H new ATOM 0 HD3 ARG A 43 23.518 -2.303 -25.996 1.00 1.49 H new ATOM 0 HE ARG A 43 23.675 -4.249 -23.683 1.00 1.68 H new ATOM 0 HH11 ARG A 43 24.878 -3.939 -26.610 1.00 2.08 H new ATOM 0 HH12 ARG A 43 24.181 -5.406 -27.305 1.00 2.08 H new ATOM 0 HH21 ARG A 43 22.006 -5.759 -24.566 1.00 2.58 H new ATOM 0 HH22 ARG A 43 22.494 -6.475 -26.105 1.00 2.58 H new ATOM 687 N PRO A 44 26.584 0.924 -21.890 1.00 1.79 N ATOM 688 CA PRO A 44 28.009 0.807 -21.332 1.00 2.19 C ATOM 689 C PRO A 44 28.786 -0.579 -21.401 1.00 2.97 C ATOM 690 O PRO A 44 28.215 -1.643 -21.571 1.00 3.26 O ATOM 691 CB PRO A 44 27.829 1.395 -19.828 1.00 1.44 C ATOM 692 CG PRO A 44 26.692 2.438 -20.122 1.00 1.29 C ATOM 693 CD PRO A 44 25.698 1.601 -20.937 1.00 1.29 C ATOM 0 HA PRO A 44 28.697 1.349 -21.980 1.00 2.19 H new ATOM 0 HB2 PRO A 44 27.529 0.633 -19.109 1.00 1.44 H new ATOM 0 HB3 PRO A 44 28.738 1.857 -19.442 1.00 1.44 H new ATOM 0 HG2 PRO A 44 26.246 2.825 -19.206 1.00 1.29 H new ATOM 0 HG3 PRO A 44 27.060 3.296 -20.684 1.00 1.29 H new ATOM 0 HD2 PRO A 44 25.152 0.893 -20.313 1.00 1.29 H new ATOM 0 HD3 PRO A 44 24.956 2.222 -21.439 1.00 1.29 H new ATOM 701 N GLY A 45 30.099 -0.534 -21.255 1.00 3.56 N ATOM 702 CA GLY A 45 30.946 -1.801 -21.309 1.00 4.50 C ATOM 703 C GLY A 45 31.961 -2.166 -20.196 1.00 4.44 C ATOM 704 O GLY A 45 31.799 -3.162 -19.535 1.00 4.46 O ATOM 0 H GLY A 45 30.628 0.324 -21.100 1.00 3.56 H new ATOM 0 HA2 GLY A 45 30.252 -2.638 -21.387 1.00 4.50 H new ATOM 0 HA3 GLY A 45 31.506 -1.763 -22.243 1.00 4.50 H new ATOM 708 N MET A 46 32.969 -1.361 -19.987 1.00 4.42 N ATOM 709 CA MET A 46 34.049 -1.608 -18.944 1.00 4.38 C ATOM 710 C MET A 46 33.845 -2.709 -17.856 1.00 4.32 C ATOM 711 O MET A 46 34.658 -3.606 -17.762 1.00 4.61 O ATOM 712 CB MET A 46 34.323 -0.223 -18.274 1.00 4.06 C ATOM 713 CG MET A 46 33.054 0.389 -17.618 1.00 3.69 C ATOM 714 SD MET A 46 33.228 2.049 -16.920 1.00 2.96 S ATOM 715 CE MET A 46 33.036 3.000 -18.448 1.00 2.85 C ATOM 0 H MET A 46 33.106 -0.499 -20.514 1.00 4.42 H new ATOM 0 HA MET A 46 34.884 -2.039 -19.496 1.00 4.38 H new ATOM 0 HB2 MET A 46 35.099 -0.338 -17.517 1.00 4.06 H new ATOM 0 HB3 MET A 46 34.709 0.468 -19.023 1.00 4.06 H new ATOM 0 HG2 MET A 46 32.262 0.415 -18.366 1.00 3.69 H new ATOM 0 HG3 MET A 46 32.722 -0.282 -16.825 1.00 3.69 H new ATOM 0 HE1 MET A 46 33.113 4.064 -18.226 1.00 2.85 H new ATOM 0 HE2 MET A 46 33.818 2.718 -19.153 1.00 2.85 H new ATOM 0 HE3 MET A 46 32.060 2.791 -18.887 1.00 2.85 H new ATOM 725 N LEU A 47 32.803 -2.616 -17.082 1.00 3.98 N ATOM 726 CA LEU A 47 32.515 -3.632 -16.006 1.00 3.91 C ATOM 727 C LEU A 47 31.113 -4.183 -16.229 1.00 3.87 C ATOM 728 O LEU A 47 30.678 -4.978 -15.422 1.00 4.31 O ATOM 729 CB LEU A 47 32.508 -3.025 -14.568 1.00 3.65 C ATOM 730 CG LEU A 47 33.858 -2.744 -13.934 1.00 3.69 C ATOM 731 CD1 LEU A 47 34.445 -1.448 -14.488 1.00 3.06 C ATOM 732 CD2 LEU A 47 33.609 -2.610 -12.405 1.00 3.54 C ATOM 0 H LEU A 47 32.116 -1.864 -17.143 1.00 3.98 H new ATOM 0 HA LEU A 47 33.302 -4.383 -16.072 1.00 3.91 H new ATOM 0 HB2 LEU A 47 31.946 -2.092 -14.597 1.00 3.65 H new ATOM 0 HB3 LEU A 47 31.962 -3.706 -13.915 1.00 3.65 H new ATOM 0 HG LEU A 47 34.567 -3.543 -14.150 1.00 3.69 H new ATOM 0 HD11 LEU A 47 35.413 -1.260 -14.024 1.00 3.06 H new ATOM 0 HD12 LEU A 47 34.571 -1.538 -15.567 1.00 3.06 H new ATOM 0 HD13 LEU A 47 33.770 -0.620 -14.269 1.00 3.06 H new ATOM 0 HD21 LEU A 47 34.553 -2.407 -11.899 1.00 3.54 H new ATOM 0 HD22 LEU A 47 32.914 -1.791 -12.220 1.00 3.54 H new ATOM 0 HD23 LEU A 47 33.185 -3.539 -12.023 1.00 3.54 H new ATOM 744 N ASP A 48 30.462 -3.784 -17.301 1.00 3.54 N ATOM 745 CA ASP A 48 29.065 -4.255 -17.569 1.00 3.72 C ATOM 746 C ASP A 48 28.379 -3.967 -16.198 1.00 2.94 C ATOM 747 O ASP A 48 27.769 -4.792 -15.555 1.00 3.89 O ATOM 748 CB ASP A 48 29.175 -5.739 -17.939 1.00 4.78 C ATOM 749 CG ASP A 48 30.059 -5.889 -19.173 1.00 4.56 C ATOM 750 OD1 ASP A 48 29.571 -5.543 -20.234 1.00 4.24 O ATOM 751 OD2 ASP A 48 31.170 -6.336 -18.986 1.00 4.99 O ATOM 0 H ASP A 48 30.842 -3.150 -18.003 1.00 3.54 H new ATOM 0 HA ASP A 48 28.505 -3.789 -18.380 1.00 3.72 H new ATOM 0 HB2 ASP A 48 29.595 -6.303 -17.106 1.00 4.78 H new ATOM 0 HB3 ASP A 48 28.185 -6.151 -18.135 1.00 4.78 H new ATOM 756 N PHE A 49 28.587 -2.722 -15.841 1.00 1.72 N ATOM 757 CA PHE A 49 28.079 -2.112 -14.567 1.00 1.97 C ATOM 758 C PHE A 49 26.839 -1.238 -14.593 1.00 1.74 C ATOM 759 O PHE A 49 25.931 -1.416 -15.382 1.00 1.48 O ATOM 760 CB PHE A 49 29.283 -1.333 -13.980 1.00 2.63 C ATOM 761 CG PHE A 49 29.752 -2.036 -12.719 1.00 1.85 C ATOM 762 CD1 PHE A 49 30.144 -3.325 -12.866 1.00 0.57 C ATOM 763 CD2 PHE A 49 29.837 -1.444 -11.481 1.00 2.65 C ATOM 764 CE1 PHE A 49 30.632 -4.059 -11.839 1.00 1.20 C ATOM 765 CE2 PHE A 49 30.326 -2.175 -10.417 1.00 2.13 C ATOM 766 CZ PHE A 49 30.725 -3.485 -10.600 1.00 1.43 C ATOM 0 H PHE A 49 29.119 -2.068 -16.415 1.00 1.72 H new ATOM 0 HA PHE A 49 27.711 -2.943 -13.965 1.00 1.97 H new ATOM 0 HB2 PHE A 49 30.092 -1.284 -14.708 1.00 2.63 H new ATOM 0 HB3 PHE A 49 28.995 -0.306 -13.755 1.00 2.63 H new ATOM 0 HD1 PHE A 49 30.064 -3.784 -13.840 1.00 0.57 H new ATOM 0 HD2 PHE A 49 29.525 -0.419 -11.343 1.00 2.65 H new ATOM 0 HE1 PHE A 49 30.943 -5.081 -11.995 1.00 1.20 H new ATOM 0 HE2 PHE A 49 30.397 -1.722 -9.439 1.00 2.13 H new ATOM 0 HZ PHE A 49 31.109 -4.055 -9.767 1.00 1.43 H new ATOM 776 N LYS A 50 26.841 -0.276 -13.699 1.00 2.05 N ATOM 777 CA LYS A 50 25.672 0.675 -13.608 1.00 2.19 C ATOM 778 C LYS A 50 25.307 1.228 -14.953 1.00 1.65 C ATOM 779 O LYS A 50 24.230 1.750 -15.136 1.00 2.04 O ATOM 780 CB LYS A 50 25.990 1.924 -12.665 1.00 2.81 C ATOM 781 CG LYS A 50 25.044 3.265 -12.871 1.00 3.90 C ATOM 782 CD LYS A 50 25.148 4.283 -11.620 1.00 3.95 C ATOM 783 CE LYS A 50 24.955 5.850 -11.861 1.00 4.84 C ATOM 784 NZ LYS A 50 23.533 6.343 -11.834 1.00 6.02 N ATOM 0 H LYS A 50 27.593 -0.104 -13.031 1.00 2.05 H new ATOM 0 HA LYS A 50 24.851 0.089 -13.195 1.00 2.19 H new ATOM 0 HB2 LYS A 50 25.901 1.600 -11.628 1.00 2.81 H new ATOM 0 HB3 LYS A 50 27.029 2.213 -12.821 1.00 2.81 H new ATOM 0 HG2 LYS A 50 25.342 3.781 -13.783 1.00 3.90 H new ATOM 0 HG3 LYS A 50 24.006 2.959 -13.003 1.00 3.90 H new ATOM 0 HD2 LYS A 50 24.406 3.972 -10.884 1.00 3.95 H new ATOM 0 HD3 LYS A 50 26.128 4.141 -11.165 1.00 3.95 H new ATOM 0 HE2 LYS A 50 25.522 6.389 -11.101 1.00 4.84 H new ATOM 0 HE3 LYS A 50 25.391 6.107 -12.826 1.00 4.84 H new ATOM 0 HZ1 LYS A 50 23.394 7.042 -12.591 1.00 6.02 H new ATOM 0 HZ2 LYS A 50 22.885 5.542 -11.979 1.00 6.02 H new ATOM 0 HZ3 LYS A 50 23.336 6.785 -10.914 1.00 6.02 H new ATOM 798 N GLY A 51 26.225 1.068 -15.848 1.00 0.88 N ATOM 799 CA GLY A 51 25.986 1.586 -17.181 1.00 0.69 C ATOM 800 C GLY A 51 25.205 0.648 -18.077 1.00 0.67 C ATOM 801 O GLY A 51 24.086 0.987 -18.405 1.00 0.93 O ATOM 0 H GLY A 51 27.121 0.602 -15.704 1.00 0.88 H new ATOM 0 HA2 GLY A 51 25.446 2.529 -17.101 1.00 0.69 H new ATOM 0 HA3 GLY A 51 26.944 1.806 -17.651 1.00 0.69 H new ATOM 805 N LYS A 52 25.697 -0.501 -18.471 1.00 0.45 N ATOM 806 CA LYS A 52 24.836 -1.289 -19.351 1.00 0.52 C ATOM 807 C LYS A 52 24.109 -2.297 -18.569 1.00 0.50 C ATOM 808 O LYS A 52 22.936 -2.396 -18.807 1.00 0.58 O ATOM 809 CB LYS A 52 25.798 -1.759 -20.331 1.00 0.79 C ATOM 810 CG LYS A 52 25.435 -2.954 -20.973 1.00 1.76 C ATOM 811 CD LYS A 52 25.994 -4.038 -20.000 1.00 2.98 C ATOM 812 CE LYS A 52 26.719 -5.110 -20.822 1.00 3.45 C ATOM 813 NZ LYS A 52 27.660 -4.448 -21.786 1.00 2.80 N ATOM 0 H LYS A 52 26.606 -0.896 -18.230 1.00 0.45 H new ATOM 0 HA LYS A 52 24.014 -0.777 -19.850 1.00 0.52 H new ATOM 0 HB2 LYS A 52 25.939 -0.984 -21.085 1.00 0.79 H new ATOM 0 HB3 LYS A 52 26.760 -1.903 -19.838 1.00 0.79 H new ATOM 0 HG2 LYS A 52 24.355 -3.037 -21.097 1.00 1.76 H new ATOM 0 HG3 LYS A 52 25.877 -3.032 -21.966 1.00 1.76 H new ATOM 0 HD2 LYS A 52 26.678 -3.585 -19.283 1.00 2.98 H new ATOM 0 HD3 LYS A 52 25.182 -4.486 -19.427 1.00 2.98 H new ATOM 0 HE2 LYS A 52 27.269 -5.780 -20.161 1.00 3.45 H new ATOM 0 HE3 LYS A 52 25.996 -5.720 -21.363 1.00 3.45 H new ATOM 0 HZ1 LYS A 52 27.311 -4.578 -22.757 1.00 2.80 H new ATOM 0 HZ2 LYS A 52 27.718 -3.432 -21.572 1.00 2.80 H new ATOM 0 HZ3 LYS A 52 28.604 -4.874 -21.698 1.00 2.80 H new ATOM 827 N ALA A 53 24.795 -2.993 -17.698 1.00 0.48 N ATOM 828 CA ALA A 53 24.179 -4.054 -16.823 1.00 0.49 C ATOM 829 C ALA A 53 22.707 -3.740 -16.718 1.00 0.66 C ATOM 830 O ALA A 53 21.802 -4.480 -17.035 1.00 0.68 O ATOM 831 CB ALA A 53 24.863 -3.982 -15.435 1.00 0.44 C ATOM 0 H ALA A 53 25.796 -2.868 -17.548 1.00 0.48 H new ATOM 0 HA ALA A 53 24.310 -5.058 -17.226 1.00 0.49 H new ATOM 0 HB1 ALA A 53 24.436 -4.741 -14.779 1.00 0.44 H new ATOM 0 HB2 ALA A 53 25.933 -4.159 -15.547 1.00 0.44 H new ATOM 0 HB3 ALA A 53 24.702 -2.995 -15.001 1.00 0.44 H new ATOM 837 N LYS A 54 22.591 -2.543 -16.234 1.00 0.76 N ATOM 838 CA LYS A 54 21.289 -1.884 -16.001 1.00 0.82 C ATOM 839 C LYS A 54 20.421 -1.862 -17.245 1.00 0.86 C ATOM 840 O LYS A 54 19.394 -2.504 -17.305 1.00 0.94 O ATOM 841 CB LYS A 54 21.606 -0.488 -15.505 1.00 0.91 C ATOM 842 CG LYS A 54 22.705 -0.563 -14.451 1.00 0.76 C ATOM 843 CD LYS A 54 22.695 -1.859 -13.608 1.00 2.54 C ATOM 844 CE LYS A 54 21.358 -2.101 -12.872 1.00 4.36 C ATOM 845 NZ LYS A 54 20.699 -3.353 -13.405 1.00 6.38 N ATOM 0 H LYS A 54 23.392 -1.966 -15.978 1.00 0.76 H new ATOM 0 HA LYS A 54 20.704 -2.437 -15.267 1.00 0.82 H new ATOM 0 HB2 LYS A 54 21.926 0.141 -16.336 1.00 0.91 H new ATOM 0 HB3 LYS A 54 20.712 -0.028 -15.083 1.00 0.91 H new ATOM 0 HG2 LYS A 54 23.672 -0.473 -14.945 1.00 0.76 H new ATOM 0 HG3 LYS A 54 22.609 0.292 -13.782 1.00 0.76 H new ATOM 0 HD2 LYS A 54 22.902 -2.709 -14.259 1.00 2.54 H new ATOM 0 HD3 LYS A 54 23.501 -1.814 -12.876 1.00 2.54 H new ATOM 0 HE2 LYS A 54 21.535 -2.200 -11.801 1.00 4.36 H new ATOM 0 HE3 LYS A 54 20.697 -1.245 -13.008 1.00 4.36 H new ATOM 0 HZ1 LYS A 54 19.681 -3.182 -13.534 1.00 6.38 H new ATOM 0 HZ2 LYS A 54 21.126 -3.608 -14.318 1.00 6.38 H new ATOM 0 HZ3 LYS A 54 20.836 -4.132 -12.730 1.00 6.38 H new ATOM 859 N TRP A 55 20.902 -1.109 -18.175 1.00 0.81 N ATOM 860 CA TRP A 55 20.243 -0.921 -19.488 1.00 0.87 C ATOM 861 C TRP A 55 19.697 -2.283 -19.934 1.00 0.82 C ATOM 862 O TRP A 55 18.523 -2.568 -20.044 1.00 0.87 O ATOM 863 CB TRP A 55 21.338 -0.388 -20.392 1.00 0.86 C ATOM 864 CG TRP A 55 20.729 0.392 -21.504 1.00 0.97 C ATOM 865 CD1 TRP A 55 20.459 1.698 -21.366 1.00 1.06 C ATOM 866 CD2 TRP A 55 20.391 -0.036 -22.730 1.00 1.00 C ATOM 867 NE1 TRP A 55 19.966 1.990 -22.536 1.00 1.13 N ATOM 868 CE2 TRP A 55 19.884 1.025 -23.432 1.00 1.10 C ATOM 869 CE3 TRP A 55 20.475 -1.280 -23.320 1.00 0.97 C ATOM 870 CZ2 TRP A 55 19.466 0.863 -24.726 1.00 1.16 C ATOM 871 CZ3 TRP A 55 20.052 -1.454 -24.623 1.00 1.04 C ATOM 872 CH2 TRP A 55 19.550 -0.372 -25.324 1.00 1.12 C ATOM 0 H TRP A 55 21.772 -0.587 -18.075 1.00 0.81 H new ATOM 0 HA TRP A 55 19.399 -0.231 -19.488 1.00 0.87 H new ATOM 0 HB2 TRP A 55 22.020 0.243 -19.822 1.00 0.86 H new ATOM 0 HB3 TRP A 55 21.927 -1.213 -20.793 1.00 0.86 H new ATOM 0 HD1 TRP A 55 20.610 2.339 -20.510 1.00 1.06 H new ATOM 0 HE1 TRP A 55 19.653 2.936 -22.753 1.00 1.13 H new ATOM 0 HE3 TRP A 55 20.871 -2.117 -22.764 1.00 0.97 H new ATOM 0 HZ2 TRP A 55 19.071 1.704 -25.276 1.00 1.16 H new ATOM 0 HZ3 TRP A 55 20.112 -2.426 -25.090 1.00 1.04 H new ATOM 0 HH2 TRP A 55 19.223 -0.498 -26.345 1.00 1.12 H new ATOM 883 N ASP A 56 20.708 -3.061 -20.129 1.00 0.69 N ATOM 884 CA ASP A 56 20.665 -4.461 -20.567 1.00 0.65 C ATOM 885 C ASP A 56 19.649 -5.253 -19.666 1.00 0.68 C ATOM 886 O ASP A 56 18.950 -6.121 -20.144 1.00 1.19 O ATOM 887 CB ASP A 56 22.283 -4.797 -20.542 1.00 0.71 C ATOM 888 CG ASP A 56 22.841 -5.129 -21.914 1.00 0.79 C ATOM 889 OD1 ASP A 56 22.060 -5.428 -22.788 1.00 1.32 O ATOM 890 OD2 ASP A 56 24.040 -5.077 -22.083 1.00 1.10 O ATOM 0 H ASP A 56 21.664 -2.736 -19.983 1.00 0.69 H new ATOM 0 HA ASP A 56 20.266 -4.733 -21.544 1.00 0.65 H new ATOM 0 HB2 ASP A 56 22.820 -3.940 -20.135 1.00 0.71 H new ATOM 0 HB3 ASP A 56 22.464 -5.636 -19.870 1.00 0.71 H new ATOM 895 N ALA A 57 19.599 -4.914 -18.403 1.00 0.44 N ATOM 896 CA ALA A 57 18.687 -5.548 -17.400 1.00 0.35 C ATOM 897 C ALA A 57 17.290 -4.855 -17.208 1.00 0.08 C ATOM 898 O ALA A 57 16.380 -5.417 -16.636 1.00 0.61 O ATOM 899 CB ALA A 57 19.429 -5.578 -16.050 1.00 0.47 C ATOM 0 H ALA A 57 20.187 -4.182 -18.006 1.00 0.44 H new ATOM 0 HA ALA A 57 18.450 -6.540 -17.785 1.00 0.35 H new ATOM 0 HB1 ALA A 57 18.791 -6.035 -15.294 1.00 0.47 H new ATOM 0 HB2 ALA A 57 20.345 -6.160 -16.151 1.00 0.47 H new ATOM 0 HB3 ALA A 57 19.677 -4.560 -15.748 1.00 0.47 H new ATOM 905 N TRP A 58 17.145 -3.639 -17.667 1.00 0.51 N ATOM 906 CA TRP A 58 15.849 -2.856 -17.555 1.00 0.32 C ATOM 907 C TRP A 58 15.116 -3.010 -18.908 1.00 0.35 C ATOM 908 O TRP A 58 13.924 -3.199 -19.010 1.00 0.30 O ATOM 909 CB TRP A 58 16.216 -1.384 -17.217 1.00 0.32 C ATOM 910 CG TRP A 58 15.072 -0.408 -17.553 1.00 0.42 C ATOM 911 CD1 TRP A 58 13.734 -0.698 -17.605 1.00 0.44 C ATOM 912 CD2 TRP A 58 15.258 0.894 -17.875 1.00 0.57 C ATOM 913 NE1 TRP A 58 13.215 0.463 -17.967 1.00 0.58 N ATOM 914 CE2 TRP A 58 14.041 1.465 -18.149 1.00 0.67 C ATOM 915 CE3 TRP A 58 16.394 1.673 -17.961 1.00 0.66 C ATOM 916 CZ2 TRP A 58 13.927 2.783 -18.511 1.00 0.85 C ATOM 917 CZ3 TRP A 58 16.279 3.003 -18.324 1.00 0.84 C ATOM 918 CH2 TRP A 58 15.060 3.553 -18.599 1.00 0.93 C ATOM 0 H TRP A 58 17.893 -3.127 -18.134 1.00 0.51 H new ATOM 0 HA TRP A 58 15.186 -3.213 -16.767 1.00 0.32 H new ATOM 0 HB2 TRP A 58 16.459 -1.306 -16.157 1.00 0.32 H new ATOM 0 HB3 TRP A 58 17.110 -1.098 -17.771 1.00 0.32 H new ATOM 0 HD1 TRP A 58 13.233 -1.633 -17.403 1.00 0.44 H new ATOM 0 HE1 TRP A 58 12.210 0.575 -18.100 1.00 0.58 H new ATOM 0 HE3 TRP A 58 17.364 1.248 -17.747 1.00 0.66 H new ATOM 0 HZ2 TRP A 58 12.958 3.210 -18.724 1.00 0.85 H new ATOM 0 HZ3 TRP A 58 17.166 3.615 -18.391 1.00 0.84 H new ATOM 0 HH2 TRP A 58 14.987 4.592 -18.885 1.00 0.93 H new ATOM 929 N ASN A 59 15.872 -2.923 -19.949 1.00 0.47 N ATOM 930 CA ASN A 59 15.432 -3.054 -21.358 1.00 0.54 C ATOM 931 C ASN A 59 14.590 -4.355 -21.445 1.00 0.52 C ATOM 932 O ASN A 59 13.719 -4.502 -22.278 1.00 0.69 O ATOM 933 CB ASN A 59 16.719 -3.147 -22.178 1.00 0.71 C ATOM 934 CG ASN A 59 16.467 -3.199 -23.652 1.00 0.89 C ATOM 935 OD1 ASN A 59 15.781 -2.405 -24.259 1.00 1.06 O ATOM 936 ND2 ASN A 59 17.046 -4.158 -24.271 1.00 0.98 N ATOM 0 H ASN A 59 16.874 -2.750 -19.871 1.00 0.47 H new ATOM 0 HA ASN A 59 14.824 -2.227 -21.724 1.00 0.54 H new ATOM 0 HB2 ASN A 59 17.351 -2.288 -21.952 1.00 0.71 H new ATOM 0 HB3 ASN A 59 17.272 -4.037 -21.877 1.00 0.71 H new ATOM 0 HD21 ASN A 59 16.931 -4.257 -25.280 1.00 0.98 H new ATOM 0 HD22 ASN A 59 17.622 -4.823 -23.756 1.00 0.98 H new ATOM 943 N GLU A 60 14.926 -5.240 -20.529 1.00 0.34 N ATOM 944 CA GLU A 60 14.266 -6.580 -20.414 1.00 0.43 C ATOM 945 C GLU A 60 12.833 -6.478 -19.858 1.00 0.48 C ATOM 946 O GLU A 60 11.940 -7.232 -20.188 1.00 0.72 O ATOM 947 CB GLU A 60 15.183 -7.434 -19.502 1.00 0.37 C ATOM 948 CG GLU A 60 14.542 -8.836 -19.262 1.00 0.96 C ATOM 949 CD GLU A 60 15.423 -9.711 -18.365 1.00 1.44 C ATOM 950 OE1 GLU A 60 15.633 -9.295 -17.234 1.00 2.14 O ATOM 951 OE2 GLU A 60 15.823 -10.741 -18.877 1.00 1.40 O ATOM 0 H GLU A 60 15.656 -5.079 -19.835 1.00 0.34 H new ATOM 0 HA GLU A 60 14.151 -7.041 -21.395 1.00 0.43 H new ATOM 0 HB2 GLU A 60 16.164 -7.548 -19.963 1.00 0.37 H new ATOM 0 HB3 GLU A 60 15.336 -6.927 -18.549 1.00 0.37 H new ATOM 0 HG2 GLU A 60 13.561 -8.715 -18.803 1.00 0.96 H new ATOM 0 HG3 GLU A 60 14.387 -9.335 -20.219 1.00 0.96 H new ATOM 958 N LEU A 61 12.714 -5.503 -19.011 1.00 0.27 N ATOM 959 CA LEU A 61 11.476 -5.108 -18.276 1.00 0.32 C ATOM 960 C LEU A 61 10.605 -4.104 -19.037 1.00 0.30 C ATOM 961 O LEU A 61 9.400 -4.121 -18.936 1.00 0.34 O ATOM 962 CB LEU A 61 11.870 -4.459 -16.988 1.00 0.29 C ATOM 963 CG LEU A 61 13.043 -5.092 -16.310 1.00 0.39 C ATOM 964 CD1 LEU A 61 13.226 -4.280 -15.063 1.00 0.55 C ATOM 965 CD2 LEU A 61 12.807 -6.557 -16.062 1.00 0.55 C ATOM 0 H LEU A 61 13.506 -4.904 -18.776 1.00 0.27 H new ATOM 0 HA LEU A 61 10.896 -6.020 -18.135 1.00 0.32 H new ATOM 0 HB2 LEU A 61 12.099 -3.410 -17.179 1.00 0.29 H new ATOM 0 HB3 LEU A 61 11.018 -4.481 -16.309 1.00 0.29 H new ATOM 0 HG LEU A 61 13.951 -5.082 -16.912 1.00 0.39 H new ATOM 0 HD11 LEU A 61 14.070 -4.671 -14.495 1.00 0.55 H new ATOM 0 HD12 LEU A 61 13.419 -3.241 -15.330 1.00 0.55 H new ATOM 0 HD13 LEU A 61 12.322 -4.337 -14.456 1.00 0.55 H new ATOM 0 HD21 LEU A 61 13.678 -6.987 -15.568 1.00 0.55 H new ATOM 0 HD22 LEU A 61 11.931 -6.682 -15.426 1.00 0.55 H new ATOM 0 HD23 LEU A 61 12.641 -7.065 -17.012 1.00 0.55 H new ATOM 977 N LYS A 62 11.294 -3.282 -19.764 1.00 0.26 N ATOM 978 CA LYS A 62 10.747 -2.179 -20.621 1.00 0.21 C ATOM 979 C LYS A 62 9.228 -2.101 -20.862 1.00 0.37 C ATOM 980 O LYS A 62 8.661 -1.033 -20.810 1.00 1.20 O ATOM 981 CB LYS A 62 11.549 -2.331 -21.910 1.00 0.47 C ATOM 982 CG LYS A 62 10.904 -1.536 -23.005 1.00 0.80 C ATOM 983 CD LYS A 62 11.789 -1.704 -24.277 1.00 1.00 C ATOM 984 CE LYS A 62 11.183 -0.920 -25.412 1.00 0.97 C ATOM 985 NZ LYS A 62 11.016 0.461 -24.904 1.00 0.56 N ATOM 0 H LYS A 62 12.312 -3.332 -19.805 1.00 0.26 H new ATOM 0 HA LYS A 62 10.863 -1.229 -20.100 1.00 0.21 H new ATOM 0 HB2 LYS A 62 12.573 -1.990 -21.755 1.00 0.47 H new ATOM 0 HB3 LYS A 62 11.603 -3.382 -22.194 1.00 0.47 H new ATOM 0 HG2 LYS A 62 9.890 -1.890 -23.192 1.00 0.80 H new ATOM 0 HG3 LYS A 62 10.828 -0.485 -22.725 1.00 0.80 H new ATOM 0 HD2 LYS A 62 12.802 -1.354 -24.078 1.00 1.00 H new ATOM 0 HD3 LYS A 62 11.863 -2.758 -24.546 1.00 1.00 H new ATOM 0 HE2 LYS A 62 11.830 -0.938 -26.289 1.00 0.97 H new ATOM 0 HE3 LYS A 62 10.225 -1.344 -25.713 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 11.115 1.134 -25.690 1.00 0.56 H new ATOM 0 HZ2 LYS A 62 10.073 0.562 -24.478 1.00 0.56 H new ATOM 0 HZ3 LYS A 62 11.743 0.657 -24.187 1.00 0.56 H new ATOM 999 N GLY A 63 8.646 -3.232 -21.115 1.00 0.71 N ATOM 1000 CA GLY A 63 7.162 -3.350 -21.373 1.00 0.68 C ATOM 1001 C GLY A 63 6.456 -4.052 -20.201 1.00 0.73 C ATOM 1002 O GLY A 63 5.543 -4.838 -20.367 1.00 0.99 O ATOM 0 H GLY A 63 9.144 -4.121 -21.158 1.00 0.71 H new ATOM 0 HA2 GLY A 63 6.734 -2.358 -21.519 1.00 0.68 H new ATOM 0 HA3 GLY A 63 6.992 -3.909 -22.293 1.00 0.68 H new ATOM 1006 N THR A 64 6.941 -3.715 -19.036 1.00 0.52 N ATOM 1007 CA THR A 64 6.423 -4.264 -17.724 1.00 0.61 C ATOM 1008 C THR A 64 5.481 -3.288 -17.062 1.00 0.60 C ATOM 1009 O THR A 64 5.803 -2.119 -16.944 1.00 0.98 O ATOM 1010 CB THR A 64 7.574 -4.506 -16.753 1.00 0.52 C ATOM 1011 OG1 THR A 64 8.155 -5.701 -17.222 1.00 0.65 O ATOM 1012 CG2 THR A 64 7.172 -4.861 -15.328 1.00 0.53 C ATOM 0 H THR A 64 7.709 -3.053 -18.925 1.00 0.52 H new ATOM 0 HA THR A 64 5.905 -5.196 -17.952 1.00 0.61 H new ATOM 0 HB THR A 64 8.172 -3.596 -16.720 1.00 0.52 H new ATOM 0 HG1 THR A 64 8.763 -5.500 -17.964 1.00 0.65 H new ATOM 0 HG21 THR A 64 8.067 -5.012 -14.724 1.00 0.53 H new ATOM 0 HG22 THR A 64 6.580 -4.050 -14.904 1.00 0.53 H new ATOM 0 HG23 THR A 64 6.580 -5.776 -15.334 1.00 0.53 H new ATOM 1020 N SER A 65 4.347 -3.731 -16.594 1.00 0.42 N ATOM 1021 CA SER A 65 3.471 -2.709 -15.961 1.00 0.34 C ATOM 1022 C SER A 65 4.193 -2.275 -14.698 1.00 0.30 C ATOM 1023 O SER A 65 4.461 -3.027 -13.787 1.00 0.49 O ATOM 1024 CB SER A 65 2.120 -3.248 -15.552 1.00 0.33 C ATOM 1025 OG SER A 65 2.025 -4.612 -15.967 1.00 0.82 O ATOM 0 H SER A 65 4.005 -4.692 -16.617 1.00 0.42 H new ATOM 0 HA SER A 65 3.291 -1.907 -16.677 1.00 0.34 H new ATOM 0 HB2 SER A 65 1.994 -3.172 -14.472 1.00 0.33 H new ATOM 0 HB3 SER A 65 1.324 -2.658 -16.008 1.00 0.33 H new ATOM 0 HG SER A 65 2.064 -5.196 -15.181 1.00 0.82 H new ATOM 1031 N LYS A 66 4.499 -1.020 -14.719 1.00 0.29 N ATOM 1032 CA LYS A 66 5.225 -0.329 -13.596 1.00 0.32 C ATOM 1033 C LYS A 66 5.145 -0.951 -12.172 1.00 0.27 C ATOM 1034 O LYS A 66 6.129 -1.034 -11.458 1.00 0.40 O ATOM 1035 CB LYS A 66 4.721 1.148 -13.625 1.00 0.45 C ATOM 1036 CG LYS A 66 5.581 1.975 -14.631 1.00 0.50 C ATOM 1037 CD LYS A 66 4.866 3.321 -14.915 1.00 0.60 C ATOM 1038 CE LYS A 66 5.799 4.420 -15.491 1.00 1.24 C ATOM 1039 NZ LYS A 66 6.583 5.055 -14.375 1.00 0.89 N ATOM 0 H LYS A 66 4.271 -0.404 -15.499 1.00 0.29 H new ATOM 0 HA LYS A 66 6.293 -0.438 -13.784 1.00 0.32 H new ATOM 0 HB2 LYS A 66 3.671 1.179 -13.917 1.00 0.45 H new ATOM 0 HB3 LYS A 66 4.788 1.585 -12.629 1.00 0.45 H new ATOM 0 HG2 LYS A 66 6.574 2.155 -14.219 1.00 0.50 H new ATOM 0 HG3 LYS A 66 5.717 1.418 -15.558 1.00 0.50 H new ATOM 0 HD2 LYS A 66 4.050 3.147 -15.616 1.00 0.60 H new ATOM 0 HD3 LYS A 66 4.419 3.686 -13.990 1.00 0.60 H new ATOM 0 HE2 LYS A 66 6.478 3.986 -16.225 1.00 1.24 H new ATOM 0 HE3 LYS A 66 5.210 5.176 -16.010 1.00 1.24 H new ATOM 0 HZ1 LYS A 66 7.534 5.302 -14.716 1.00 0.89 H new ATOM 0 HZ2 LYS A 66 6.095 5.916 -14.054 1.00 0.89 H new ATOM 0 HZ3 LYS A 66 6.662 4.386 -13.582 1.00 0.89 H new ATOM 1053 N GLU A 67 3.957 -1.372 -11.840 1.00 0.16 N ATOM 1054 CA GLU A 67 3.597 -2.003 -10.533 1.00 0.25 C ATOM 1055 C GLU A 67 4.176 -3.432 -10.394 1.00 0.19 C ATOM 1056 O GLU A 67 4.723 -3.818 -9.373 1.00 0.20 O ATOM 1057 CB GLU A 67 2.048 -1.970 -10.461 1.00 0.30 C ATOM 1058 CG GLU A 67 1.511 -0.550 -9.931 1.00 0.34 C ATOM 1059 CD GLU A 67 -0.011 -0.515 -9.587 1.00 1.39 C ATOM 1060 OE1 GLU A 67 -0.687 -1.499 -9.856 1.00 2.25 O ATOM 1061 OE2 GLU A 67 -0.414 0.517 -9.067 1.00 2.05 O ATOM 0 H GLU A 67 3.160 -1.297 -12.473 1.00 0.16 H new ATOM 0 HA GLU A 67 4.033 -1.458 -9.695 1.00 0.25 H new ATOM 0 HB2 GLU A 67 1.633 -2.171 -11.449 1.00 0.30 H new ATOM 0 HB3 GLU A 67 1.697 -2.762 -9.800 1.00 0.30 H new ATOM 0 HG2 GLU A 67 2.077 -0.272 -9.042 1.00 0.34 H new ATOM 0 HG3 GLU A 67 1.716 0.206 -10.689 1.00 0.34 H new ATOM 1068 N ASP A 68 4.053 -4.222 -11.427 1.00 0.17 N ATOM 1069 CA ASP A 68 4.583 -5.610 -11.411 1.00 0.18 C ATOM 1070 C ASP A 68 6.036 -5.539 -10.982 1.00 0.12 C ATOM 1071 O ASP A 68 6.505 -6.296 -10.150 1.00 0.24 O ATOM 1072 CB ASP A 68 4.369 -6.100 -12.823 1.00 0.29 C ATOM 1073 CG ASP A 68 2.885 -6.272 -13.013 1.00 0.71 C ATOM 1074 OD1 ASP A 68 2.256 -5.275 -13.324 1.00 1.65 O ATOM 1075 OD2 ASP A 68 2.471 -7.395 -12.827 1.00 0.54 O ATOM 0 H ASP A 68 3.597 -3.954 -12.299 1.00 0.17 H new ATOM 0 HA ASP A 68 4.101 -6.298 -10.716 1.00 0.18 H new ATOM 0 HB2 ASP A 68 4.769 -5.386 -13.543 1.00 0.29 H new ATOM 0 HB3 ASP A 68 4.890 -7.043 -12.986 1.00 0.29 H new ATOM 1080 N ALA A 69 6.694 -4.602 -11.598 1.00 0.06 N ATOM 1081 CA ALA A 69 8.131 -4.370 -11.291 1.00 0.20 C ATOM 1082 C ALA A 69 8.238 -4.258 -9.748 1.00 0.30 C ATOM 1083 O ALA A 69 8.944 -5.008 -9.095 1.00 0.50 O ATOM 1084 CB ALA A 69 8.568 -3.060 -11.999 1.00 0.25 C ATOM 0 H ALA A 69 6.297 -3.983 -12.305 1.00 0.06 H new ATOM 0 HA ALA A 69 8.780 -5.172 -11.642 1.00 0.20 H new ATOM 0 HB1 ALA A 69 9.620 -2.867 -11.789 1.00 0.25 H new ATOM 0 HB2 ALA A 69 8.425 -3.163 -13.075 1.00 0.25 H new ATOM 0 HB3 ALA A 69 7.966 -2.229 -11.631 1.00 0.25 H new ATOM 1090 N MET A 70 7.504 -3.303 -9.226 1.00 0.24 N ATOM 1091 CA MET A 70 7.472 -3.036 -7.753 1.00 0.20 C ATOM 1092 C MET A 70 7.381 -4.340 -6.963 1.00 0.14 C ATOM 1093 O MET A 70 8.224 -4.596 -6.120 1.00 0.19 O ATOM 1094 CB MET A 70 6.252 -2.169 -7.377 1.00 0.19 C ATOM 1095 CG MET A 70 6.152 -0.863 -8.133 1.00 0.31 C ATOM 1096 SD MET A 70 4.548 -0.078 -7.862 1.00 0.67 S ATOM 1097 CE MET A 70 4.980 1.645 -8.149 1.00 0.18 C ATOM 0 H MET A 70 6.910 -2.682 -9.776 1.00 0.24 H new ATOM 0 HA MET A 70 8.395 -2.512 -7.505 1.00 0.20 H new ATOM 0 HB2 MET A 70 5.344 -2.746 -7.553 1.00 0.19 H new ATOM 0 HB3 MET A 70 6.291 -1.954 -6.309 1.00 0.19 H new ATOM 0 HG2 MET A 70 6.948 -0.191 -7.812 1.00 0.31 H new ATOM 0 HG3 MET A 70 6.297 -1.043 -9.198 1.00 0.31 H new ATOM 0 HE1 MET A 70 4.095 2.268 -8.021 1.00 0.18 H new ATOM 0 HE2 MET A 70 5.746 1.951 -7.437 1.00 0.18 H new ATOM 0 HE3 MET A 70 5.361 1.760 -9.164 1.00 0.18 H new ATOM 1107 N LYS A 71 6.348 -5.088 -7.276 1.00 0.05 N ATOM 1108 CA LYS A 71 6.085 -6.385 -6.631 1.00 0.06 C ATOM 1109 C LYS A 71 7.349 -7.120 -6.190 1.00 0.19 C ATOM 1110 O LYS A 71 7.425 -7.607 -5.085 1.00 0.43 O ATOM 1111 CB LYS A 71 5.280 -7.197 -7.631 1.00 0.08 C ATOM 1112 CG LYS A 71 4.050 -7.734 -6.928 1.00 0.71 C ATOM 1113 CD LYS A 71 4.438 -8.900 -5.932 1.00 1.94 C ATOM 1114 CE LYS A 71 4.823 -8.445 -4.499 1.00 3.13 C ATOM 1115 NZ LYS A 71 5.823 -9.419 -3.964 1.00 4.56 N ATOM 0 H LYS A 71 5.659 -4.829 -7.982 1.00 0.05 H new ATOM 0 HA LYS A 71 5.537 -6.230 -5.702 1.00 0.06 H new ATOM 0 HB2 LYS A 71 4.992 -6.576 -8.479 1.00 0.08 H new ATOM 0 HB3 LYS A 71 5.880 -8.017 -8.025 1.00 0.08 H new ATOM 0 HG2 LYS A 71 3.558 -6.930 -6.380 1.00 0.71 H new ATOM 0 HG3 LYS A 71 3.336 -8.101 -7.665 1.00 0.71 H new ATOM 0 HD2 LYS A 71 3.598 -9.592 -5.863 1.00 1.94 H new ATOM 0 HD3 LYS A 71 5.274 -9.455 -6.356 1.00 1.94 H new ATOM 0 HE2 LYS A 71 5.242 -7.439 -4.517 1.00 3.13 H new ATOM 0 HE3 LYS A 71 3.941 -8.412 -3.859 1.00 3.13 H new ATOM 0 HZ1 LYS A 71 5.873 -9.332 -2.929 1.00 4.56 H new ATOM 0 HZ2 LYS A 71 5.535 -10.386 -4.216 1.00 4.56 H new ATOM 0 HZ3 LYS A 71 6.757 -9.218 -4.374 1.00 4.56 H new ATOM 1129 N ALA A 72 8.290 -7.169 -7.084 1.00 0.20 N ATOM 1130 CA ALA A 72 9.588 -7.852 -6.797 1.00 0.32 C ATOM 1131 C ALA A 72 10.615 -6.768 -6.386 1.00 0.29 C ATOM 1132 O ALA A 72 11.328 -6.988 -5.432 1.00 0.38 O ATOM 1133 CB ALA A 72 9.980 -8.591 -8.077 1.00 0.43 C ATOM 0 H ALA A 72 8.219 -6.761 -8.016 1.00 0.20 H new ATOM 0 HA ALA A 72 9.534 -8.572 -5.981 1.00 0.32 H new ATOM 0 HB1 ALA A 72 10.926 -9.110 -7.922 1.00 0.43 H new ATOM 0 HB2 ALA A 72 9.206 -9.315 -8.331 1.00 0.43 H new ATOM 0 HB3 ALA A 72 10.088 -7.875 -8.892 1.00 0.43 H new ATOM 1139 N TYR A 73 10.691 -5.645 -7.075 1.00 0.22 N ATOM 1140 CA TYR A 73 11.669 -4.562 -6.707 1.00 0.17 C ATOM 1141 C TYR A 73 11.868 -4.512 -5.198 1.00 0.22 C ATOM 1142 O TYR A 73 12.932 -4.626 -4.624 1.00 0.24 O ATOM 1143 CB TYR A 73 11.150 -3.204 -7.149 1.00 0.15 C ATOM 1144 CG TYR A 73 12.081 -2.163 -6.528 1.00 0.11 C ATOM 1145 CD1 TYR A 73 13.363 -2.043 -6.997 1.00 0.73 C ATOM 1146 CD2 TYR A 73 11.655 -1.351 -5.491 1.00 0.71 C ATOM 1147 CE1 TYR A 73 14.198 -1.127 -6.433 1.00 0.71 C ATOM 1148 CE2 TYR A 73 12.510 -0.434 -4.939 1.00 0.72 C ATOM 1149 CZ TYR A 73 13.776 -0.335 -5.421 1.00 0.10 C ATOM 1150 OH TYR A 73 14.657 0.560 -4.899 1.00 0.11 O ATOM 0 H TYR A 73 10.110 -5.432 -7.886 1.00 0.22 H new ATOM 0 HA TYR A 73 12.611 -4.789 -7.206 1.00 0.17 H new ATOM 0 HB2 TYR A 73 11.148 -3.124 -8.236 1.00 0.15 H new ATOM 0 HB3 TYR A 73 10.123 -3.054 -6.817 1.00 0.15 H new ATOM 0 HD1 TYR A 73 13.708 -2.669 -7.807 1.00 0.73 H new ATOM 0 HD2 TYR A 73 10.646 -1.441 -5.116 1.00 0.71 H new ATOM 0 HE1 TYR A 73 15.210 -1.032 -6.798 1.00 0.71 H new ATOM 0 HE2 TYR A 73 12.181 0.202 -4.131 1.00 0.72 H new ATOM 0 HH TYR A 73 15.269 0.865 -5.601 1.00 0.11 H new ATOM 1160 N ILE A 74 10.699 -4.345 -4.658 1.00 0.24 N ATOM 1161 CA ILE A 74 10.480 -4.234 -3.208 1.00 0.19 C ATOM 1162 C ILE A 74 10.990 -5.477 -2.491 1.00 0.22 C ATOM 1163 O ILE A 74 11.802 -5.375 -1.606 1.00 0.38 O ATOM 1164 CB ILE A 74 9.002 -4.039 -3.006 1.00 0.12 C ATOM 1165 CG1 ILE A 74 8.626 -2.757 -3.728 1.00 0.38 C ATOM 1166 CG2 ILE A 74 8.804 -3.793 -1.534 1.00 0.05 C ATOM 1167 CD1 ILE A 74 7.123 -2.596 -3.684 1.00 0.51 C ATOM 0 H ILE A 74 9.840 -4.278 -5.205 1.00 0.24 H new ATOM 0 HA ILE A 74 11.031 -3.393 -2.787 1.00 0.19 H new ATOM 0 HB ILE A 74 8.419 -4.888 -3.362 1.00 0.12 H new ATOM 0 HG12 ILE A 74 9.111 -1.902 -3.257 1.00 0.38 H new ATOM 0 HG13 ILE A 74 8.972 -2.790 -4.761 1.00 0.38 H new ATOM 0 HG21 ILE A 74 7.744 -3.644 -1.329 1.00 0.05 H new ATOM 0 HG22 ILE A 74 9.165 -4.653 -0.970 1.00 0.05 H new ATOM 0 HG23 ILE A 74 9.360 -2.904 -1.236 1.00 0.05 H new ATOM 0 HD11 ILE A 74 6.840 -1.678 -4.200 1.00 0.51 H new ATOM 0 HD12 ILE A 74 6.651 -3.448 -4.174 1.00 0.51 H new ATOM 0 HD13 ILE A 74 6.793 -2.546 -2.646 1.00 0.51 H new ATOM 1179 N ASP A 75 10.498 -6.619 -2.879 1.00 0.16 N ATOM 1180 CA ASP A 75 10.923 -7.899 -2.270 1.00 0.19 C ATOM 1181 C ASP A 75 12.469 -7.983 -2.246 1.00 0.26 C ATOM 1182 O ASP A 75 13.140 -8.395 -1.315 1.00 0.31 O ATOM 1183 CB ASP A 75 10.275 -8.969 -3.152 1.00 0.16 C ATOM 1184 CG ASP A 75 8.760 -9.062 -3.133 1.00 0.56 C ATOM 1185 OD1 ASP A 75 8.081 -8.277 -2.495 1.00 1.37 O ATOM 1186 OD2 ASP A 75 8.299 -9.964 -3.814 1.00 1.49 O ATOM 0 H ASP A 75 9.799 -6.716 -3.615 1.00 0.16 H new ATOM 0 HA ASP A 75 10.615 -8.018 -1.231 1.00 0.19 H new ATOM 0 HB2 ASP A 75 10.589 -8.794 -4.181 1.00 0.16 H new ATOM 0 HB3 ASP A 75 10.676 -9.938 -2.856 1.00 0.16 H new ATOM 1191 N LYS A 76 13.004 -7.535 -3.340 1.00 0.25 N ATOM 1192 CA LYS A 76 14.487 -7.545 -3.500 1.00 0.27 C ATOM 1193 C LYS A 76 15.073 -6.487 -2.596 1.00 0.26 C ATOM 1194 O LYS A 76 16.135 -6.704 -2.037 1.00 0.21 O ATOM 1195 CB LYS A 76 14.795 -7.343 -5.008 1.00 0.27 C ATOM 1196 CG LYS A 76 16.132 -8.107 -5.293 1.00 0.41 C ATOM 1197 CD LYS A 76 15.857 -9.649 -5.142 1.00 0.74 C ATOM 1198 CE LYS A 76 17.092 -10.508 -5.400 1.00 0.72 C ATOM 1199 NZ LYS A 76 16.765 -11.917 -4.996 1.00 1.48 N ATOM 0 H LYS A 76 12.483 -7.161 -4.133 1.00 0.25 H new ATOM 0 HA LYS A 76 14.946 -8.488 -3.201 1.00 0.27 H new ATOM 0 HB2 LYS A 76 13.986 -7.733 -5.625 1.00 0.27 H new ATOM 0 HB3 LYS A 76 14.895 -6.284 -5.245 1.00 0.27 H new ATOM 0 HG2 LYS A 76 16.493 -7.881 -6.297 1.00 0.41 H new ATOM 0 HG3 LYS A 76 16.908 -7.789 -4.597 1.00 0.41 H new ATOM 0 HD2 LYS A 76 15.487 -9.849 -4.136 1.00 0.74 H new ATOM 0 HD3 LYS A 76 15.068 -9.940 -5.836 1.00 0.74 H new ATOM 0 HE2 LYS A 76 17.372 -10.468 -6.453 1.00 0.72 H new ATOM 0 HE3 LYS A 76 17.943 -10.135 -4.830 1.00 0.72 H new ATOM 0 HZ1 LYS A 76 17.336 -12.182 -4.168 1.00 1.48 H new ATOM 0 HZ2 LYS A 76 15.755 -11.984 -4.756 1.00 1.48 H new ATOM 0 HZ3 LYS A 76 16.977 -12.562 -5.784 1.00 1.48 H new ATOM 1213 N VAL A 77 14.414 -5.372 -2.447 1.00 0.34 N ATOM 1214 CA VAL A 77 15.002 -4.357 -1.525 1.00 0.36 C ATOM 1215 C VAL A 77 14.952 -5.095 -0.169 1.00 0.39 C ATOM 1216 O VAL A 77 15.924 -5.099 0.558 1.00 0.42 O ATOM 1217 CB VAL A 77 14.126 -3.096 -1.468 1.00 0.42 C ATOM 1218 CG1 VAL A 77 14.610 -2.224 -0.265 1.00 0.51 C ATOM 1219 CG2 VAL A 77 14.282 -2.314 -2.810 1.00 0.42 C ATOM 0 H VAL A 77 13.534 -5.124 -2.899 1.00 0.34 H new ATOM 0 HA VAL A 77 15.996 -4.021 -1.821 1.00 0.36 H new ATOM 0 HB VAL A 77 13.075 -3.352 -1.332 1.00 0.42 H new ATOM 0 HG11 VAL A 77 14.003 -1.321 -0.203 1.00 0.51 H new ATOM 0 HG12 VAL A 77 14.511 -2.793 0.660 1.00 0.51 H new ATOM 0 HG13 VAL A 77 15.655 -1.949 -0.412 1.00 0.51 H new ATOM 0 HG21 VAL A 77 13.665 -1.416 -2.782 1.00 0.42 H new ATOM 0 HG22 VAL A 77 15.326 -2.032 -2.948 1.00 0.42 H new ATOM 0 HG23 VAL A 77 13.965 -2.947 -3.639 1.00 0.42 H new ATOM 1229 N GLU A 78 13.825 -5.697 0.132 1.00 0.38 N ATOM 1230 CA GLU A 78 13.635 -6.451 1.396 1.00 0.43 C ATOM 1231 C GLU A 78 14.880 -7.305 1.636 1.00 0.42 C ATOM 1232 O GLU A 78 15.444 -7.272 2.715 1.00 0.51 O ATOM 1233 CB GLU A 78 12.350 -7.286 1.231 1.00 0.42 C ATOM 1234 CG GLU A 78 11.216 -6.747 2.146 1.00 0.52 C ATOM 1235 CD GLU A 78 11.646 -6.788 3.585 1.00 1.16 C ATOM 1236 OE1 GLU A 78 12.222 -5.821 4.050 1.00 0.89 O ATOM 1237 OE2 GLU A 78 11.396 -7.807 4.191 1.00 2.32 O ATOM 0 H GLU A 78 13.005 -5.691 -0.474 1.00 0.38 H new ATOM 0 HA GLU A 78 13.517 -5.807 2.268 1.00 0.43 H new ATOM 0 HB2 GLU A 78 12.026 -7.260 0.191 1.00 0.42 H new ATOM 0 HB3 GLU A 78 12.555 -8.328 1.475 1.00 0.42 H new ATOM 0 HG2 GLU A 78 10.965 -5.725 1.863 1.00 0.52 H new ATOM 0 HG3 GLU A 78 10.315 -7.345 2.011 1.00 0.52 H new ATOM 1244 N GLU A 79 15.248 -8.050 0.631 1.00 0.30 N ATOM 1245 CA GLU A 79 16.463 -8.916 0.727 1.00 0.28 C ATOM 1246 C GLU A 79 17.707 -8.008 1.047 1.00 0.22 C ATOM 1247 O GLU A 79 18.386 -8.146 2.054 1.00 0.17 O ATOM 1248 CB GLU A 79 16.647 -9.654 -0.636 1.00 0.30 C ATOM 1249 CG GLU A 79 15.584 -10.793 -0.888 1.00 0.31 C ATOM 1250 CD GLU A 79 15.886 -11.590 -2.177 1.00 0.83 C ATOM 1251 OE1 GLU A 79 17.015 -12.020 -2.358 1.00 1.01 O ATOM 1252 OE2 GLU A 79 14.986 -11.762 -2.978 1.00 1.86 O ATOM 0 H GLU A 79 14.757 -8.098 -0.262 1.00 0.30 H new ATOM 0 HA GLU A 79 16.359 -9.655 1.521 1.00 0.28 H new ATOM 0 HB2 GLU A 79 16.585 -8.926 -1.445 1.00 0.30 H new ATOM 0 HB3 GLU A 79 17.647 -10.087 -0.673 1.00 0.30 H new ATOM 0 HG2 GLU A 79 15.572 -11.473 -0.036 1.00 0.31 H new ATOM 0 HG3 GLU A 79 14.590 -10.352 -0.959 1.00 0.31 H new ATOM 1259 N LEU A 80 17.995 -7.080 0.168 1.00 0.22 N ATOM 1260 CA LEU A 80 19.171 -6.152 0.382 1.00 0.17 C ATOM 1261 C LEU A 80 19.288 -5.558 1.764 1.00 0.10 C ATOM 1262 O LEU A 80 20.318 -5.610 2.406 1.00 0.09 O ATOM 1263 CB LEU A 80 19.086 -5.015 -0.577 1.00 0.19 C ATOM 1264 CG LEU A 80 19.505 -5.462 -1.940 1.00 0.19 C ATOM 1265 CD1 LEU A 80 19.377 -4.277 -2.843 1.00 0.22 C ATOM 1266 CD2 LEU A 80 20.962 -5.943 -1.835 1.00 0.34 C ATOM 0 H LEU A 80 17.471 -6.918 -0.692 1.00 0.22 H new ATOM 0 HA LEU A 80 20.048 -6.782 0.230 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.066 -4.631 -0.609 1.00 0.19 H new ATOM 0 HB3 LEU A 80 19.724 -4.197 -0.242 1.00 0.19 H new ATOM 0 HG LEU A 80 18.897 -6.276 -2.334 1.00 0.19 H new ATOM 0 HD11 LEU A 80 19.674 -4.556 -3.854 1.00 0.22 H new ATOM 0 HD12 LEU A 80 18.342 -3.935 -2.850 1.00 0.22 H new ATOM 0 HD13 LEU A 80 20.022 -3.475 -2.484 1.00 0.22 H new ATOM 0 HD21 LEU A 80 21.306 -6.279 -2.813 1.00 0.34 H new ATOM 0 HD22 LEU A 80 21.592 -5.123 -1.491 1.00 0.34 H new ATOM 0 HD23 LEU A 80 21.022 -6.769 -1.126 1.00 0.34 H new ATOM 1278 N LYS A 81 18.183 -4.989 2.136 1.00 0.08 N ATOM 1279 CA LYS A 81 17.996 -4.322 3.457 1.00 0.08 C ATOM 1280 C LYS A 81 18.678 -5.142 4.537 1.00 0.08 C ATOM 1281 O LYS A 81 19.260 -4.634 5.465 1.00 0.09 O ATOM 1282 CB LYS A 81 16.504 -4.226 3.686 1.00 0.11 C ATOM 1283 CG LYS A 81 16.172 -3.611 5.058 1.00 0.11 C ATOM 1284 CD LYS A 81 14.641 -3.367 5.180 1.00 0.34 C ATOM 1285 CE LYS A 81 14.263 -2.994 6.634 1.00 0.63 C ATOM 1286 NZ LYS A 81 14.937 -1.715 7.000 1.00 1.35 N ATOM 0 H LYS A 81 17.352 -4.956 1.545 1.00 0.08 H new ATOM 0 HA LYS A 81 18.440 -3.327 3.481 1.00 0.08 H new ATOM 0 HB2 LYS A 81 16.054 -3.621 2.899 1.00 0.11 H new ATOM 0 HB3 LYS A 81 16.061 -5.220 3.617 1.00 0.11 H new ATOM 0 HG2 LYS A 81 16.506 -4.277 5.854 1.00 0.11 H new ATOM 0 HG3 LYS A 81 16.709 -2.671 5.183 1.00 0.11 H new ATOM 0 HD2 LYS A 81 14.340 -2.567 4.504 1.00 0.34 H new ATOM 0 HD3 LYS A 81 14.099 -4.263 4.876 1.00 0.34 H new ATOM 0 HE2 LYS A 81 13.182 -2.889 6.727 1.00 0.63 H new ATOM 0 HE3 LYS A 81 14.566 -3.788 7.317 1.00 0.63 H new ATOM 0 HZ1 LYS A 81 14.255 -1.084 7.467 1.00 1.35 H new ATOM 0 HZ2 LYS A 81 15.726 -1.912 7.648 1.00 1.35 H new ATOM 0 HZ3 LYS A 81 15.301 -1.256 6.141 1.00 1.35 H new ATOM 1300 N LYS A 82 18.572 -6.422 4.362 1.00 0.06 N ATOM 1301 CA LYS A 82 19.162 -7.366 5.311 1.00 0.12 C ATOM 1302 C LYS A 82 20.570 -7.771 4.942 1.00 0.04 C ATOM 1303 O LYS A 82 21.450 -7.749 5.776 1.00 0.09 O ATOM 1304 CB LYS A 82 18.180 -8.504 5.352 1.00 0.27 C ATOM 1305 CG LYS A 82 16.816 -7.873 5.790 1.00 0.81 C ATOM 1306 CD LYS A 82 15.750 -8.950 6.019 1.00 1.00 C ATOM 1307 CE LYS A 82 14.387 -8.284 6.292 1.00 2.23 C ATOM 1308 NZ LYS A 82 13.918 -7.601 5.042 1.00 2.13 N ATOM 0 H LYS A 82 18.086 -6.855 3.577 1.00 0.06 H new ATOM 0 HA LYS A 82 19.304 -6.932 6.301 1.00 0.12 H new ATOM 0 HB2 LYS A 82 18.094 -8.982 4.376 1.00 0.27 H new ATOM 0 HB3 LYS A 82 18.500 -9.272 6.056 1.00 0.27 H new ATOM 0 HG2 LYS A 82 16.957 -7.298 6.705 1.00 0.81 H new ATOM 0 HG3 LYS A 82 16.473 -7.176 5.025 1.00 0.81 H new ATOM 0 HD2 LYS A 82 15.680 -9.598 5.145 1.00 1.00 H new ATOM 0 HD3 LYS A 82 16.032 -9.581 6.862 1.00 1.00 H new ATOM 0 HE2 LYS A 82 13.659 -9.031 6.608 1.00 2.23 H new ATOM 0 HE3 LYS A 82 14.476 -7.563 7.104 1.00 2.23 H new ATOM 0 HZ1 LYS A 82 13.654 -6.619 5.261 1.00 2.13 H new ATOM 0 HZ2 LYS A 82 14.682 -7.605 4.337 1.00 2.13 H new ATOM 0 HZ3 LYS A 82 13.092 -8.104 4.660 1.00 2.13 H new ATOM 1322 N LYS A 83 20.748 -8.137 3.711 1.00 0.09 N ATOM 1323 CA LYS A 83 22.087 -8.554 3.198 1.00 0.17 C ATOM 1324 C LYS A 83 23.123 -7.544 3.686 1.00 0.19 C ATOM 1325 O LYS A 83 24.143 -7.873 4.261 1.00 0.25 O ATOM 1326 CB LYS A 83 22.022 -8.566 1.693 1.00 0.19 C ATOM 1327 CG LYS A 83 21.120 -9.720 1.253 1.00 0.17 C ATOM 1328 CD LYS A 83 20.596 -9.448 -0.169 1.00 0.17 C ATOM 1329 CE LYS A 83 19.990 -10.740 -0.696 1.00 0.22 C ATOM 1330 NZ LYS A 83 21.111 -11.672 -1.043 1.00 0.98 N ATOM 0 H LYS A 83 20.004 -8.167 3.014 1.00 0.09 H new ATOM 0 HA LYS A 83 22.365 -9.546 3.555 1.00 0.17 H new ATOM 0 HB2 LYS A 83 21.631 -7.618 1.324 1.00 0.19 H new ATOM 0 HB3 LYS A 83 23.020 -8.685 1.272 1.00 0.19 H new ATOM 0 HG2 LYS A 83 21.675 -10.658 1.274 1.00 0.17 H new ATOM 0 HG3 LYS A 83 20.285 -9.828 1.945 1.00 0.17 H new ATOM 0 HD2 LYS A 83 19.850 -8.654 -0.156 1.00 0.17 H new ATOM 0 HD3 LYS A 83 21.406 -9.114 -0.817 1.00 0.17 H new ATOM 0 HE2 LYS A 83 19.340 -11.189 0.055 1.00 0.22 H new ATOM 0 HE3 LYS A 83 19.374 -10.542 -1.573 1.00 0.22 H new ATOM 0 HZ1 LYS A 83 20.734 -12.491 -1.560 1.00 0.98 H new ATOM 0 HZ2 LYS A 83 21.804 -11.175 -1.639 1.00 0.98 H new ATOM 0 HZ3 LYS A 83 21.575 -11.997 -0.171 1.00 0.98 H new ATOM 1344 N TYR A 84 22.779 -6.309 3.437 1.00 0.17 N ATOM 1345 CA TYR A 84 23.721 -5.243 3.875 1.00 0.24 C ATOM 1346 C TYR A 84 23.202 -4.781 5.253 1.00 0.40 C ATOM 1347 O TYR A 84 24.085 -4.577 6.069 1.00 0.44 O ATOM 1348 CB TYR A 84 23.800 -4.176 2.662 1.00 0.22 C ATOM 1349 CG TYR A 84 24.165 -5.119 1.489 1.00 0.13 C ATOM 1350 CD1 TYR A 84 25.499 -5.442 1.322 1.00 0.93 C ATOM 1351 CD2 TYR A 84 23.225 -5.722 0.644 1.00 0.76 C ATOM 1352 CE1 TYR A 84 25.888 -6.343 0.356 1.00 0.93 C ATOM 1353 CE2 TYR A 84 23.632 -6.622 -0.308 1.00 0.74 C ATOM 1354 CZ TYR A 84 24.962 -6.935 -0.459 1.00 0.10 C ATOM 1355 OH TYR A 84 25.393 -7.809 -1.432 1.00 0.16 O ATOM 0 H TYR A 84 21.926 -6.001 2.970 1.00 0.17 H new ATOM 0 HA TYR A 84 24.762 -5.518 4.046 1.00 0.24 H new ATOM 0 HB2 TYR A 84 22.854 -3.659 2.501 1.00 0.22 H new ATOM 0 HB3 TYR A 84 24.557 -3.410 2.831 1.00 0.22 H new ATOM 0 HD1 TYR A 84 26.243 -4.983 1.956 1.00 0.93 H new ATOM 0 HD2 TYR A 84 22.178 -5.478 0.742 1.00 0.76 H new ATOM 0 HE1 TYR A 84 26.934 -6.585 0.241 1.00 0.93 H new ATOM 0 HE2 TYR A 84 22.898 -7.091 -0.947 1.00 0.74 H new ATOM 0 HH TYR A 84 24.618 -8.223 -1.867 1.00 0.16 H new ATOM 1365 N GLY A 85 21.934 -4.573 5.591 1.00 0.50 N ATOM 1366 CA GLY A 85 21.695 -4.164 7.040 1.00 0.69 C ATOM 1367 C GLY A 85 21.211 -2.804 7.444 1.00 0.74 C ATOM 1368 O GLY A 85 21.965 -2.002 7.972 1.00 0.72 O ATOM 0 H GLY A 85 21.116 -4.658 4.988 1.00 0.50 H new ATOM 0 HA2 GLY A 85 20.980 -4.878 7.447 1.00 0.69 H new ATOM 0 HA3 GLY A 85 22.638 -4.323 7.564 1.00 0.69 H new ATOM 1372 N ILE A 86 19.968 -2.621 7.137 1.00 0.83 N ATOM 1373 CA ILE A 86 19.201 -1.417 7.405 1.00 0.92 C ATOM 1374 C ILE A 86 17.802 -1.820 8.015 1.00 1.12 C ATOM 1375 O ILE A 86 17.222 -1.054 8.765 1.00 1.23 O ATOM 1376 CB ILE A 86 19.200 -0.703 6.016 1.00 0.71 C ATOM 1377 CG1 ILE A 86 17.824 -0.363 5.478 1.00 0.56 C ATOM 1378 CG2 ILE A 86 20.012 -1.348 4.877 1.00 0.82 C ATOM 1379 CD1 ILE A 86 17.742 1.151 5.339 1.00 0.56 C ATOM 1380 OXT ILE A 86 17.317 -2.896 7.709 1.00 2.29 O ATOM 0 H ILE A 86 19.417 -3.339 6.666 1.00 0.83 H new ATOM 0 HA ILE A 86 19.593 -0.732 8.156 1.00 0.92 H new ATOM 0 HB ILE A 86 19.730 0.206 6.302 1.00 0.71 H new ATOM 0 HG12 ILE A 86 17.661 -0.845 4.514 1.00 0.56 H new ATOM 0 HG13 ILE A 86 17.049 -0.728 6.152 1.00 0.56 H new ATOM 0 HG21 ILE A 86 19.918 -0.743 3.975 1.00 0.82 H new ATOM 0 HG22 ILE A 86 21.061 -1.407 5.166 1.00 0.82 H new ATOM 0 HG23 ILE A 86 19.632 -2.351 4.682 1.00 0.82 H new ATOM 0 HD11 ILE A 86 16.761 1.428 4.953 1.00 0.56 H new ATOM 0 HD12 ILE A 86 17.893 1.615 6.314 1.00 0.56 H new ATOM 0 HD13 ILE A 86 18.514 1.495 4.650 1.00 0.56 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.776 1.727 -6.469 1.00 0.48 N HETATM 1394 C2A COA A 87 17.294 1.629 -7.672 1.00 0.22 C HETATM 1395 N3A COA A 87 17.881 2.543 -8.422 1.00 0.20 N HETATM 1396 C4A COA A 87 17.912 3.725 -7.768 1.00 0.43 C HETATM 1397 C5A COA A 87 17.428 3.985 -6.523 1.00 0.60 C HETATM 1398 C6A COA A 87 16.834 2.909 -5.877 1.00 0.63 C HETATM 1399 N6A COA A 87 16.297 2.971 -4.692 1.00 0.92 N HETATM 1400 N7A COA A 87 17.661 5.306 -6.163 1.00 0.85 N HETATM 1401 C8A COA A 87 18.278 5.789 -7.207 1.00 0.84 C HETATM 1402 N9A COA A 87 18.455 4.881 -8.227 1.00 0.65 N HETATM 1403 C1B COA A 87 19.042 5.021 -9.573 1.00 0.77 C HETATM 1404 C2B COA A 87 19.220 6.447 -10.088 1.00 1.03 C HETATM 1405 O2B COA A 87 18.392 6.714 -11.225 1.00 0.99 O HETATM 1406 C3B COA A 87 20.673 6.426 -10.544 1.00 1.14 C HETATM 1407 O3B COA A 87 20.842 5.964 -11.865 1.00 1.18 O HETATM 1408 P3B COA A 87 20.953 6.929 -13.115 1.00 1.80 P HETATM 1409 O7A COA A 87 19.541 7.269 -13.402 1.00 2.57 O HETATM 1410 O8A COA A 87 21.545 5.926 -13.994 1.00 0.70 O HETATM 1411 O9A COA A 87 21.881 7.997 -12.701 1.00 3.10 O HETATM 1412 C4B COA A 87 21.267 5.376 -9.655 1.00 0.91 C HETATM 1413 O4B COA A 87 20.284 4.397 -9.441 1.00 0.62 O HETATM 1414 C5B COA A 87 21.701 5.979 -8.331 1.00 1.15 C HETATM 1415 O5B COA A 87 20.812 6.986 -7.828 1.00 1.27 O HETATM 1416 P1A COA A 87 20.787 8.604 -8.012 1.00 1.53 P HETATM 1417 O1A COA A 87 20.566 9.097 -9.384 1.00 1.91 O HETATM 1418 O2A COA A 87 19.791 8.998 -6.986 1.00 2.44 O HETATM 1419 O3A COA A 87 22.175 9.077 -7.487 1.00 0.93 O HETATM 1420 P2A COA A 87 23.464 8.735 -8.338 1.00 1.29 P HETATM 1421 O4A COA A 87 23.206 8.026 -9.606 1.00 2.63 O HETATM 1422 O5A COA A 87 24.296 9.950 -8.343 1.00 2.48 O HETATM 1423 O6A COA A 87 24.201 7.656 -7.380 1.00 1.21 O HETATM 1424 CBP COA A 87 24.415 5.899 -5.625 1.00 0.31 C HETATM 1425 CCP COA A 87 23.738 7.218 -6.082 1.00 0.29 C HETATM 1426 CDP COA A 87 24.173 4.837 -6.647 1.00 0.30 C HETATM 1427 CEP COA A 87 23.637 5.487 -4.404 1.00 0.98 C HETATM 1428 CAP COA A 87 25.956 6.132 -5.391 1.00 0.90 C HETATM 1429 OAP COA A 87 26.457 6.710 -6.606 1.00 1.26 O HETATM 1430 C9P COA A 87 26.779 4.844 -5.050 1.00 1.24 C HETATM 1431 O9P COA A 87 27.995 4.901 -5.015 1.00 1.64 O HETATM 1432 N8P COA A 87 26.139 3.725 -4.783 1.00 1.26 N HETATM 1433 C7P COA A 87 26.838 2.439 -4.451 1.00 1.78 C HETATM 1434 C6P COA A 87 27.606 2.645 -3.133 1.00 1.22 C HETATM 1435 C5P COA A 87 26.634 2.617 -1.979 1.00 0.61 C HETATM 1436 O5P COA A 87 26.319 1.575 -1.445 1.00 1.44 O HETATM 1437 N4P COA A 87 26.209 3.809 -1.679 1.00 0.75 N HETATM 1438 C3P COA A 87 25.233 4.107 -0.593 1.00 1.92 C HETATM 1439 C2P COA A 87 24.243 5.132 -1.206 1.00 2.17 C HETATM 1440 S1P COA A 87 22.652 4.650 -1.940 1.00 2.53 S HETATM 0 HO2A COA A 87 18.890 7.254 -11.873 1.00 0.99 H new HETATM 0 H62A COA A 87 16.304 3.850 -4.174 1.00 0.92 H new HETATM 0 H61A COA A 87 15.870 2.141 -4.282 1.00 0.92 H new HETATM 0 H52A COA A 87 21.787 5.183 -7.592 1.00 1.15 H new HETATM 0 H51A COA A 87 22.694 6.412 -8.449 1.00 1.15 H new HETATM 0 H143 COA A 87 23.709 6.267 -3.646 1.00 0.98 H new HETATM 0 H142 COA A 87 22.591 5.338 -4.672 1.00 0.98 H new HETATM 0 H141 COA A 87 24.046 4.558 -4.008 1.00 0.98 H new HETATM 0 H133 COA A 87 23.101 4.676 -6.758 1.00 0.30 H new HETATM 0 H132 COA A 87 24.593 5.149 -7.603 1.00 0.30 H new HETATM 0 H131 COA A 87 24.648 3.909 -6.327 1.00 0.30 H new HETATM 0 H122 COA A 87 23.936 7.998 -5.347 1.00 0.29 H new HETATM 0 H121 COA A 87 22.658 7.076 -6.114 1.00 0.29 H new HETATM 0 HO1 COA A 87 25.706 7.019 -7.155 1.00 1.26 H new HETATM 0 HN8 COA A 87 25.119 3.732 -4.803 1.00 1.26 H new HETATM 0 HN4 COA A 87 26.568 4.593 -2.224 1.00 0.75 H new HETATM 0 H8A COA A 87 18.623 6.821 -7.266 1.00 0.84 H new HETATM 0 H72 COA A 87 26.117 1.628 -4.350 1.00 1.78 H new HETATM 0 H71 COA A 87 27.522 2.159 -5.252 1.00 1.78 H new HETATM 0 H62 COA A 87 28.356 1.864 -3.010 1.00 1.22 H new HETATM 0 H61 COA A 87 28.137 3.597 -3.153 1.00 1.22 H new HETATM 0 H4B COA A 87 22.149 4.940 -10.124 1.00 0.91 H new HETATM 0 H3B COA A 87 21.104 7.426 -10.500 1.00 1.14 H new HETATM 0 H32 COA A 87 24.715 3.204 -0.270 1.00 1.92 H new HETATM 0 H31 COA A 87 25.733 4.518 0.284 1.00 1.92 H new HETATM 0 H2B COA A 87 18.964 7.199 -9.341 1.00 1.03 H new HETATM 0 H2A COA A 87 17.229 0.638 -8.121 1.00 0.22 H new HETATM 0 H22 COA A 87 24.016 5.852 -0.420 1.00 2.17 H new HETATM 0 H21 COA A 87 24.792 5.668 -1.980 1.00 2.17 H new HETATM 0 H1B COA A 87 18.370 4.587 -10.313 1.00 0.77 H new HETATM 0 H10 COA A 87 26.072 6.771 -4.516 1.00 0.90 H new HETATM 1472 C1 PLM A 88 22.712 2.844 -2.058 1.00 1.98 C HETATM 1473 O2 PLM A 88 22.340 2.108 -1.171 1.00 2.69 O HETATM 1474 C2 PLM A 88 23.287 2.306 -3.383 1.00 0.92 C HETATM 1475 C3 PLM A 88 22.781 0.892 -3.785 1.00 0.23 C HETATM 1476 C4 PLM A 88 21.701 1.075 -4.935 1.00 0.31 C HETATM 1477 C5 PLM A 88 21.076 -0.220 -5.421 1.00 1.04 C HETATM 1478 C6 PLM A 88 19.976 0.055 -6.447 1.00 0.91 C HETATM 1479 C7 PLM A 88 20.587 0.572 -7.737 1.00 0.33 C HETATM 1480 C8 PLM A 88 20.912 2.081 -7.674 1.00 1.30 C HETATM 1481 C9 PLM A 88 22.351 2.295 -8.158 1.00 1.76 C HETATM 1482 CA PLM A 88 22.416 2.026 -9.639 1.00 1.26 C HETATM 1483 CB PLM A 88 23.844 1.813 -10.067 1.00 1.49 C HETATM 1484 CC PLM A 88 24.243 0.379 -9.771 1.00 1.66 C HETATM 1485 CD PLM A 88 23.574 -0.544 -10.809 1.00 1.02 C HETATM 1486 CE PLM A 88 23.975 -1.923 -10.592 1.00 0.21 C HETATM 1487 CF PLM A 88 25.523 -1.950 -10.836 1.00 0.63 C HETATM 1488 CG PLM A 88 25.794 -2.967 -11.847 1.00 0.69 C HETATM 0 HG3 PLM A 88 25.450 -3.937 -11.489 1.00 0.69 H new HETATM 0 HG2 PLM A 88 25.269 -2.713 -12.768 1.00 0.69 H new HETATM 0 HG1 PLM A 88 26.866 -3.011 -12.040 1.00 0.69 H new HETATM 0 HF2 PLM A 88 25.875 -0.974 -11.171 1.00 0.63 H new HETATM 0 HF1 PLM A 88 26.052 -2.179 -9.911 1.00 0.63 H new HETATM 0 HE2 PLM A 88 23.731 -2.249 -9.581 1.00 0.21 H new HETATM 0 HE1 PLM A 88 23.458 -2.595 -11.277 1.00 0.21 H new HETATM 0 HD2 PLM A 88 22.490 -0.458 -10.736 1.00 1.02 H new HETATM 0 HD1 PLM A 88 23.852 -0.232 -11.816 1.00 1.02 H new HETATM 0 HC2 PLM A 88 25.327 0.272 -9.813 1.00 1.66 H new HETATM 0 HC1 PLM A 88 23.934 0.101 -8.763 1.00 1.66 H new HETATM 0 HB2 PLM A 88 23.952 2.021 -11.131 1.00 1.49 H new HETATM 0 HB1 PLM A 88 24.502 2.503 -9.538 1.00 1.49 H new HETATM 0 HA2 PLM A 88 21.821 1.146 -9.883 1.00 1.26 H new HETATM 0 HA1 PLM A 88 21.986 2.864 -10.187 1.00 1.26 H new HETATM 0 H92 PLM A 88 22.672 3.315 -7.946 1.00 1.76 H new HETATM 0 H91 PLM A 88 23.030 1.630 -7.625 1.00 1.76 H new HETATM 0 H82 PLM A 88 20.216 2.644 -8.297 1.00 1.30 H new HETATM 0 H81 PLM A 88 20.797 2.450 -6.655 1.00 1.30 H new HETATM 0 H72 PLM A 88 21.499 0.016 -7.952 1.00 0.33 H new HETATM 0 H71 PLM A 88 19.899 0.386 -8.561 1.00 0.33 H new HETATM 0 H62 PLM A 88 19.413 -0.858 -6.642 1.00 0.91 H new HETATM 0 H61 PLM A 88 19.271 0.786 -6.050 1.00 0.91 H new HETATM 0 H52 PLM A 88 21.843 -0.854 -5.866 1.00 1.04 H new HETATM 0 H51 PLM A 88 20.661 -0.768 -4.575 1.00 1.04 H new HETATM 0 H42 PLM A 88 20.910 1.732 -4.573 1.00 0.31 H new HETATM 0 H41 PLM A 88 22.170 1.577 -5.781 1.00 0.31 H new HETATM 0 H32 PLM A 88 23.609 0.274 -4.133 1.00 0.23 H new HETATM 0 H31 PLM A 88 22.343 0.384 -2.926 1.00 0.23 H new HETATM 0 H22 PLM A 88 23.040 3.006 -4.181 1.00 0.92 H new HETATM 0 H21 PLM A 88 24.374 2.280 -3.307 1.00 0.92 H new