USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.151 (180deg=-1.02) USER MOD Single : A 3 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.26) USER MOD Single : A 4 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.35) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc=-0.00653 (180deg=-0.428) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 171:sc= -0.368 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= -1.54 (180deg=-1.55) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.829 (180deg=-2.37!) USER MOD Single : A 43 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.29) USER MOD Single : A 44 SER OG : rot 149:sc= 0.833 USER MOD Single : A 46 SER OG : rot 116:sc= 0.971 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) 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 :FLIP amide:sc= -2.07! C(o=-2.7!,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 67 SER OG : rot 98:sc= 0.9 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= -0.383 (180deg=-0.501) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 76 THR OG1 : rot -46:sc= -0.946! USER MOD Single : A 78 GLN : amide:sc= -4.04! C(o=-4!,f=-4.5!) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= 0.0249 (180deg=0.000268) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.533 (180deg=-1.5) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.333 F(o=-3.2!,f=-0.33) USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= -1.08 (180deg=-3.27!) USER MOD Single : A 90 SER OG : rot 106:sc= 1.12 USER MOD Single : A 93 ASN :FLIP amide:sc= -1.26 F(o=-4.3!,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= -0.281 (180deg=-1.42!) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= -2.29 (180deg=-2.36) USER MOD Single : A 100 THR OG1 : rot 74:sc= -0.124 USER MOD Single : A 102 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : B 1 PHE N :NH3+ -104:sc= 1.34 (180deg=0.263) USER MOD Single : B 5 TYR OH : rot 8:sc= -2.89 USER MOD Single : B 11 SER OG : rot -39:sc= 0.0241 USER MOD Single : B 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.390 -1.884 8.680 1.00 0.73 N ATOM 2 CA MET A 1 -6.215 -2.336 9.477 1.00 0.31 C ATOM 3 C MET A 1 -4.959 -2.287 8.605 1.00 0.24 C ATOM 4 O MET A 1 -4.992 -2.615 7.434 1.00 0.21 O ATOM 5 CB MET A 1 -6.448 -3.769 9.961 1.00 0.70 C ATOM 6 CG MET A 1 -7.676 -3.805 10.873 1.00 1.55 C ATOM 7 SD MET A 1 -8.159 -5.527 11.171 1.00 2.25 S ATOM 8 CE MET A 1 -9.465 -5.631 9.923 1.00 2.89 C ATOM 0 H1 MET A 1 -8.122 -1.513 9.320 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.095 -1.136 8.021 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.775 -2.687 8.143 1.00 0.73 H new ATOM 0 HA MET A 1 -6.084 -1.680 10.338 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.595 -4.433 9.109 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.571 -4.130 10.499 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.455 -3.310 11.818 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.500 -3.260 10.413 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.904 -6.629 9.938 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.236 -4.892 10.141 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.043 -5.435 8.937 1.00 2.89 H new ATOM 20 N VAL A 2 -3.850 -1.876 9.163 1.00 0.24 N ATOM 21 CA VAL A 2 -2.587 -1.798 8.367 1.00 0.19 C ATOM 22 C VAL A 2 -1.778 -3.087 8.560 1.00 0.22 C ATOM 23 O VAL A 2 -2.056 -3.877 9.441 1.00 0.28 O ATOM 24 CB VAL A 2 -1.769 -0.594 8.844 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.401 -0.586 8.154 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.524 0.694 8.503 1.00 0.30 C ATOM 0 H VAL A 2 -3.764 -1.590 10.138 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.823 -1.682 7.309 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.622 -0.660 9.922 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.175 0.273 8.498 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.135 -1.503 8.398 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.538 -0.522 7.075 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.946 1.555 8.840 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.670 0.755 7.425 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.494 0.690 9.001 1.00 0.30 H new ATOM 36 N LYS A 3 -0.779 -3.305 7.744 1.00 0.18 N ATOM 37 CA LYS A 3 0.051 -4.543 7.879 1.00 0.22 C ATOM 38 C LYS A 3 1.451 -4.275 7.322 1.00 0.16 C ATOM 39 O LYS A 3 1.610 -3.827 6.203 1.00 0.13 O ATOM 40 CB LYS A 3 -0.596 -5.692 7.093 1.00 0.26 C ATOM 41 CG LYS A 3 0.053 -7.024 7.481 1.00 0.34 C ATOM 42 CD LYS A 3 -0.806 -8.180 6.961 1.00 0.81 C ATOM 43 CE LYS A 3 -0.039 -9.499 7.100 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.993 -10.640 7.008 1.00 1.97 N ATOM 0 H LYS A 3 -0.501 -2.679 6.988 1.00 0.18 H new ATOM 0 HA LYS A 3 0.118 -4.819 8.931 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.666 -5.726 7.298 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.482 -5.521 6.023 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.058 -7.087 7.063 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.154 -7.090 8.564 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.740 -8.231 7.520 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.068 -8.009 5.917 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.715 -9.578 6.317 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.487 -9.527 8.054 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.942 -11.206 7.879 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.960 -10.276 6.888 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.744 -11.236 6.193 1.00 1.97 H new ATOM 58 N GLN A 4 2.469 -4.542 8.097 1.00 0.18 N ATOM 59 CA GLN A 4 3.863 -4.298 7.619 1.00 0.15 C ATOM 60 C GLN A 4 4.384 -5.541 6.889 1.00 0.13 C ATOM 61 O GLN A 4 4.310 -6.647 7.387 1.00 0.14 O ATOM 62 CB GLN A 4 4.762 -3.989 8.824 1.00 0.20 C ATOM 63 CG GLN A 4 6.241 -4.056 8.413 1.00 0.21 C ATOM 64 CD GLN A 4 7.101 -3.348 9.463 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.789 -3.369 10.637 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.180 -2.717 9.085 1.00 0.98 N ATOM 0 H GLN A 4 2.396 -4.919 9.042 1.00 0.18 H new ATOM 0 HA GLN A 4 3.871 -3.452 6.931 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.530 -2.998 9.215 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.567 -4.702 9.625 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.554 -5.095 8.313 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.379 -3.587 7.439 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.442 -2.700 8.099 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.761 -2.242 9.775 1.00 0.98 H new ATOM 75 N ILE A 5 4.915 -5.352 5.710 1.00 0.10 N ATOM 76 CA ILE A 5 5.464 -6.492 4.909 1.00 0.10 C ATOM 77 C ILE A 5 6.984 -6.322 4.794 1.00 0.10 C ATOM 78 O ILE A 5 7.476 -5.721 3.860 1.00 0.11 O ATOM 79 CB ILE A 5 4.860 -6.452 3.503 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.328 -6.237 3.553 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.214 -7.733 2.740 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.618 -7.265 4.449 1.00 0.19 C ATOM 0 H ILE A 5 4.994 -4.441 5.258 1.00 0.10 H new ATOM 0 HA ILE A 5 5.222 -7.439 5.392 1.00 0.10 H new ATOM 0 HB ILE A 5 5.288 -5.602 2.971 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.117 -5.233 3.920 1.00 0.12 H new ATOM 0 HG13 ILE A 5 2.923 -6.299 2.543 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.779 -7.694 1.741 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.297 -7.822 2.661 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.817 -8.596 3.275 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.546 -7.069 4.449 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.803 -8.269 4.068 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.001 -7.187 5.467 1.00 0.19 H new ATOM 94 N GLU A 6 7.733 -6.836 5.731 1.00 0.11 N ATOM 95 CA GLU A 6 9.219 -6.687 5.665 1.00 0.14 C ATOM 96 C GLU A 6 9.829 -7.920 4.995 1.00 0.14 C ATOM 97 O GLU A 6 11.033 -8.061 4.919 1.00 0.17 O ATOM 98 CB GLU A 6 9.775 -6.561 7.086 1.00 0.18 C ATOM 99 CG GLU A 6 9.538 -5.137 7.619 1.00 0.31 C ATOM 100 CD GLU A 6 10.644 -4.201 7.120 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.561 -3.773 5.981 1.00 1.96 O ATOM 102 OE2 GLU A 6 11.555 -3.931 7.886 1.00 1.97 O ATOM 0 H GLU A 6 7.383 -7.352 6.539 1.00 0.11 H new ATOM 0 HA GLU A 6 9.470 -5.797 5.087 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.293 -7.288 7.740 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.841 -6.787 7.090 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.565 -4.773 7.288 1.00 0.31 H new ATOM 0 HG3 GLU A 6 9.521 -5.146 8.709 1.00 0.31 H new ATOM 109 N SER A 7 9.013 -8.817 4.509 1.00 0.13 N ATOM 110 CA SER A 7 9.560 -10.037 3.847 1.00 0.15 C ATOM 111 C SER A 7 8.581 -10.531 2.780 1.00 0.14 C ATOM 112 O SER A 7 7.379 -10.478 2.950 1.00 0.12 O ATOM 113 CB SER A 7 9.774 -11.130 4.891 1.00 0.20 C ATOM 114 OG SER A 7 8.622 -11.223 5.718 1.00 0.23 O ATOM 0 H SER A 7 7.995 -8.758 4.541 1.00 0.13 H new ATOM 0 HA SER A 7 10.512 -9.794 3.374 1.00 0.15 H new ATOM 0 HB2 SER A 7 9.962 -12.085 4.401 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.652 -10.904 5.496 1.00 0.20 H new ATOM 0 HG SER A 7 8.756 -11.925 6.388 1.00 0.23 H new ATOM 120 N LYS A 8 9.089 -11.008 1.677 1.00 0.15 N ATOM 121 CA LYS A 8 8.196 -11.503 0.593 1.00 0.14 C ATOM 122 C LYS A 8 7.204 -12.523 1.161 1.00 0.14 C ATOM 123 O LYS A 8 6.101 -12.667 0.675 1.00 0.13 O ATOM 124 CB LYS A 8 9.043 -12.154 -0.509 1.00 0.17 C ATOM 125 CG LYS A 8 8.239 -12.218 -1.810 1.00 0.21 C ATOM 126 CD LYS A 8 9.050 -12.952 -2.879 1.00 0.22 C ATOM 127 CE LYS A 8 8.346 -12.826 -4.232 1.00 1.06 C ATOM 128 NZ LYS A 8 6.956 -13.350 -4.120 1.00 1.90 N ATOM 0 H LYS A 8 10.087 -11.076 1.480 1.00 0.15 H new ATOM 0 HA LYS A 8 7.639 -10.666 0.172 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.958 -11.582 -0.664 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.342 -13.157 -0.206 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.293 -12.732 -1.640 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.998 -11.211 -2.150 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.054 -12.533 -2.940 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.159 -14.003 -2.610 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.328 -11.783 -4.549 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.895 -13.381 -4.993 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.553 -13.471 -5.071 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.969 -14.267 -3.630 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.374 -12.678 -3.580 1.00 1.90 H new ATOM 142 N THR A 9 7.584 -13.235 2.186 1.00 0.16 N ATOM 143 CA THR A 9 6.656 -14.241 2.776 1.00 0.18 C ATOM 144 C THR A 9 5.389 -13.542 3.277 1.00 0.16 C ATOM 145 O THR A 9 4.286 -14.003 3.061 1.00 0.17 O ATOM 146 CB THR A 9 7.343 -14.948 3.938 1.00 0.21 C ATOM 147 OG1 THR A 9 8.652 -15.340 3.548 1.00 0.24 O ATOM 148 CG2 THR A 9 6.535 -16.183 4.339 1.00 0.25 C ATOM 0 H THR A 9 8.495 -13.164 2.640 1.00 0.16 H new ATOM 0 HA THR A 9 6.386 -14.973 2.015 1.00 0.18 H new ATOM 0 HB THR A 9 7.407 -14.269 4.788 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.094 -15.793 4.296 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.029 -16.687 5.170 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.533 -15.880 4.642 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.467 -16.864 3.491 1.00 0.25 H new ATOM 156 N ALA A 10 5.542 -12.433 3.945 1.00 0.16 N ATOM 157 CA ALA A 10 4.354 -11.698 4.468 1.00 0.17 C ATOM 158 C ALA A 10 3.578 -11.072 3.306 1.00 0.15 C ATOM 159 O ALA A 10 2.393 -10.824 3.403 1.00 0.17 O ATOM 160 CB ALA A 10 4.821 -10.597 5.421 1.00 0.20 C ATOM 0 H ALA A 10 6.442 -12.001 4.153 1.00 0.16 H new ATOM 0 HA ALA A 10 3.704 -12.393 4.999 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.956 -10.057 5.805 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.369 -11.043 6.251 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.472 -9.905 4.887 1.00 0.20 H new ATOM 166 N PHE A 11 4.236 -10.810 2.211 1.00 0.12 N ATOM 167 CA PHE A 11 3.530 -10.194 1.051 1.00 0.11 C ATOM 168 C PHE A 11 2.382 -11.093 0.606 1.00 0.13 C ATOM 169 O PHE A 11 1.229 -10.750 0.749 1.00 0.16 O ATOM 170 CB PHE A 11 4.514 -10.004 -0.109 1.00 0.10 C ATOM 171 CG PHE A 11 3.804 -9.357 -1.279 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.391 -8.014 -1.194 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.564 -10.093 -2.457 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.737 -7.407 -2.284 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.909 -9.486 -3.546 1.00 0.18 C ATOM 176 CZ PHE A 11 2.497 -8.143 -3.459 1.00 0.21 C ATOM 0 H PHE A 11 5.229 -10.995 2.069 1.00 0.12 H new ATOM 0 HA PHE A 11 3.130 -9.225 1.349 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.351 -9.383 0.210 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.928 -10.967 -0.409 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.576 -7.449 -0.293 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.883 -11.123 -2.524 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.420 -6.377 -2.218 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.723 -10.051 -4.448 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.996 -7.677 -4.295 1.00 0.21 H new ATOM 186 N GLN A 12 2.681 -12.239 0.063 1.00 0.15 N ATOM 187 CA GLN A 12 1.594 -13.145 -0.400 1.00 0.19 C ATOM 188 C GLN A 12 0.603 -13.389 0.740 1.00 0.17 C ATOM 189 O GLN A 12 -0.596 -13.343 0.551 1.00 0.16 O ATOM 190 CB GLN A 12 2.196 -14.481 -0.841 1.00 0.24 C ATOM 191 CG GLN A 12 3.076 -14.265 -2.074 1.00 1.21 C ATOM 192 CD GLN A 12 2.193 -14.042 -3.302 1.00 1.77 C ATOM 193 OE1 GLN A 12 0.983 -13.997 -3.196 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.750 -13.898 -4.474 1.00 2.47 N ATOM 0 H GLN A 12 3.629 -12.587 -0.080 1.00 0.15 H new ATOM 0 HA GLN A 12 1.074 -12.682 -1.239 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.786 -14.911 -0.031 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.402 -15.192 -1.069 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.728 -13.405 -1.922 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.720 -15.130 -2.229 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.765 -13.936 -4.564 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.170 -13.748 -5.299 1.00 2.47 H new ATOM 203 N GLU A 13 1.091 -13.653 1.918 1.00 0.19 N ATOM 204 CA GLU A 13 0.175 -13.906 3.063 1.00 0.20 C ATOM 205 C GLU A 13 -0.728 -12.688 3.295 1.00 0.18 C ATOM 206 O GLU A 13 -1.888 -12.827 3.633 1.00 0.19 O ATOM 207 CB GLU A 13 1.008 -14.190 4.318 1.00 0.25 C ATOM 208 CG GLU A 13 1.501 -15.641 4.301 1.00 0.30 C ATOM 209 CD GLU A 13 2.344 -15.911 5.548 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.979 -15.418 6.604 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.339 -16.606 5.427 1.00 2.03 O ATOM 0 H GLU A 13 2.086 -13.705 2.138 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.456 -14.767 2.841 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.858 -13.509 4.363 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.409 -14.011 5.211 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.652 -16.324 4.269 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.092 -15.824 3.404 1.00 0.30 H new ATOM 218 N ALA A 14 -0.217 -11.500 3.120 1.00 0.18 N ATOM 219 CA ALA A 14 -1.068 -10.294 3.336 1.00 0.18 C ATOM 220 C ALA A 14 -2.255 -10.331 2.368 1.00 0.18 C ATOM 221 O ALA A 14 -3.389 -10.113 2.747 1.00 0.19 O ATOM 222 CB ALA A 14 -0.237 -9.035 3.081 1.00 0.20 C ATOM 0 H ALA A 14 0.745 -11.312 2.839 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.437 -10.283 4.362 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.857 -8.152 3.238 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.609 -9.012 3.768 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.130 -9.043 2.055 1.00 0.20 H new ATOM 228 N LEU A 15 -1.997 -10.613 1.121 1.00 0.17 N ATOM 229 CA LEU A 15 -3.097 -10.674 0.111 1.00 0.18 C ATOM 230 C LEU A 15 -4.051 -11.819 0.465 1.00 0.18 C ATOM 231 O LEU A 15 -5.256 -11.688 0.370 1.00 0.18 O ATOM 232 CB LEU A 15 -2.498 -10.918 -1.282 1.00 0.19 C ATOM 233 CG LEU A 15 -1.230 -10.077 -1.458 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.701 -10.244 -2.883 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.551 -8.602 -1.206 1.00 0.62 C ATOM 0 H LEU A 15 -1.065 -10.806 0.753 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.645 -9.732 0.111 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.264 -11.975 -1.407 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.226 -10.660 -2.051 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.475 -10.410 -0.746 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.201 -9.646 -3.009 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.469 -11.293 -3.064 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.458 -9.912 -3.593 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.647 -8.006 -1.332 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.308 -8.268 -1.916 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.927 -8.480 -0.190 1.00 0.62 H new ATOM 247 N ASP A 16 -3.521 -12.944 0.861 1.00 0.19 N ATOM 248 CA ASP A 16 -4.390 -14.103 1.211 1.00 0.21 C ATOM 249 C ASP A 16 -5.249 -13.768 2.434 1.00 0.20 C ATOM 250 O ASP A 16 -6.429 -14.054 2.470 1.00 0.20 O ATOM 251 CB ASP A 16 -3.516 -15.318 1.522 1.00 0.24 C ATOM 252 CG ASP A 16 -4.391 -16.570 1.604 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.187 -16.651 2.526 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.252 -17.425 0.746 1.00 1.07 O ATOM 0 H ASP A 16 -2.519 -13.111 0.957 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.043 -14.325 0.367 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.758 -15.441 0.748 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.988 -15.168 2.464 1.00 0.24 H new ATOM 259 N ALA A 17 -4.671 -13.174 3.442 1.00 0.22 N ATOM 260 CA ALA A 17 -5.464 -12.837 4.659 1.00 0.24 C ATOM 261 C ALA A 17 -6.281 -11.568 4.411 1.00 0.21 C ATOM 262 O ALA A 17 -7.171 -11.235 5.169 1.00 0.22 O ATOM 263 CB ALA A 17 -4.515 -12.607 5.838 1.00 0.30 C ATOM 0 H ALA A 17 -3.687 -12.908 3.476 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.139 -13.662 4.887 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.094 -12.361 6.728 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.936 -13.512 6.021 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.839 -11.784 5.606 1.00 0.30 H new ATOM 269 N ALA A 18 -5.989 -10.854 3.358 1.00 0.21 N ATOM 270 CA ALA A 18 -6.754 -9.607 3.070 1.00 0.22 C ATOM 271 C ALA A 18 -8.191 -9.959 2.677 1.00 0.21 C ATOM 272 O ALA A 18 -9.030 -9.095 2.519 1.00 0.24 O ATOM 273 CB ALA A 18 -6.082 -8.851 1.922 1.00 0.23 C ATOM 0 H ALA A 18 -5.256 -11.079 2.686 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.769 -8.980 3.962 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.641 -7.939 1.711 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.061 -8.594 2.204 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.065 -9.481 1.032 1.00 0.23 H new ATOM 279 N GLY A 19 -8.484 -11.222 2.523 1.00 0.22 N ATOM 280 CA GLY A 19 -9.869 -11.625 2.144 1.00 0.24 C ATOM 281 C GLY A 19 -10.125 -11.269 0.678 1.00 0.20 C ATOM 282 O GLY A 19 -9.504 -11.804 -0.218 1.00 0.28 O ATOM 0 H GLY A 19 -7.825 -11.991 2.643 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.001 -12.696 2.297 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.593 -11.120 2.783 1.00 0.24 H new ATOM 286 N ASP A 20 -11.043 -10.369 0.428 1.00 0.13 N ATOM 287 CA ASP A 20 -11.355 -9.969 -0.980 1.00 0.18 C ATOM 288 C ASP A 20 -11.532 -8.450 -1.048 1.00 0.15 C ATOM 289 O ASP A 20 -11.876 -7.903 -2.076 1.00 0.22 O ATOM 290 CB ASP A 20 -12.649 -10.656 -1.428 1.00 0.26 C ATOM 291 CG ASP A 20 -13.046 -10.148 -2.816 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.359 -10.484 -3.767 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.031 -9.435 -2.904 1.00 2.21 O ATOM 0 H ASP A 20 -11.593 -9.891 1.142 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.538 -10.270 -1.636 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.510 -11.737 -1.451 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.447 -10.453 -0.713 1.00 0.26 H new ATOM 298 N LYS A 21 -11.292 -7.762 0.037 1.00 0.12 N ATOM 299 CA LYS A 21 -11.437 -6.282 0.022 1.00 0.19 C ATOM 300 C LYS A 21 -10.329 -5.688 -0.842 1.00 0.15 C ATOM 301 O LYS A 21 -9.389 -6.365 -1.209 1.00 0.15 O ATOM 302 CB LYS A 21 -11.310 -5.748 1.447 1.00 0.27 C ATOM 303 CG LYS A 21 -12.601 -6.025 2.215 1.00 0.29 C ATOM 304 CD LYS A 21 -12.361 -5.798 3.707 1.00 0.30 C ATOM 305 CE LYS A 21 -13.702 -5.694 4.435 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.491 -5.902 5.896 1.00 1.90 N ATOM 0 H LYS A 21 -11.003 -8.162 0.929 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.411 -6.007 -0.383 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.467 -6.222 1.950 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.109 -4.677 1.428 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.397 -5.370 1.859 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.929 -7.050 2.040 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.775 -6.619 4.120 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.783 -4.886 3.858 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.150 -4.716 4.257 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.397 -6.439 4.047 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.402 -5.831 6.392 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.081 -6.844 6.057 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.842 -5.176 6.260 1.00 1.90 H new ATOM 320 N LEU A 22 -10.418 -4.430 -1.169 1.00 0.13 N ATOM 321 CA LEU A 22 -9.353 -3.823 -2.003 1.00 0.11 C ATOM 322 C LEU A 22 -8.040 -3.885 -1.204 1.00 0.10 C ATOM 323 O LEU A 22 -8.052 -4.077 -0.005 1.00 0.11 O ATOM 324 CB LEU A 22 -9.733 -2.356 -2.322 1.00 0.12 C ATOM 325 CG LEU A 22 -9.439 -1.988 -3.789 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.698 -0.489 -3.976 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.977 -2.293 -4.155 1.00 0.11 C ATOM 0 H LEU A 22 -11.175 -3.803 -0.897 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.235 -4.358 -2.945 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.792 -2.203 -2.115 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.180 -1.687 -1.663 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.086 -2.580 -4.437 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.495 -0.211 -5.010 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.738 -0.267 -3.738 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.045 0.079 -3.313 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.799 -2.023 -5.196 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.313 -1.716 -3.512 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.782 -3.356 -4.017 1.00 0.11 H new ATOM 339 N VAL A 23 -6.913 -3.725 -1.846 1.00 0.08 N ATOM 340 CA VAL A 23 -5.615 -3.778 -1.106 1.00 0.09 C ATOM 341 C VAL A 23 -4.633 -2.784 -1.726 1.00 0.08 C ATOM 342 O VAL A 23 -4.074 -3.024 -2.778 1.00 0.09 O ATOM 343 CB VAL A 23 -5.033 -5.192 -1.197 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.875 -5.333 -0.207 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.122 -6.213 -0.855 1.00 0.10 C ATOM 0 H VAL A 23 -6.834 -3.560 -2.849 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.783 -3.519 -0.061 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.669 -5.371 -2.209 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.461 -6.339 -0.272 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.100 -4.606 -0.448 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.238 -5.155 0.805 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.710 -7.220 -0.919 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.484 -6.033 0.157 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.948 -6.114 -1.559 1.00 0.10 H new ATOM 355 N VAL A 24 -4.414 -1.666 -1.073 1.00 0.08 N ATOM 356 CA VAL A 24 -3.460 -0.646 -1.608 1.00 0.08 C ATOM 357 C VAL A 24 -2.152 -0.743 -0.826 1.00 0.08 C ATOM 358 O VAL A 24 -2.138 -0.736 0.389 1.00 0.08 O ATOM 359 CB VAL A 24 -4.056 0.757 -1.456 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.300 1.740 -2.354 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.531 0.729 -1.863 1.00 0.09 C ATOM 0 H VAL A 24 -4.858 -1.417 -0.189 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.274 -0.832 -2.666 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.968 1.076 -0.417 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.727 2.737 -2.243 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.249 1.761 -2.066 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.385 1.423 -3.393 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.957 1.726 -1.756 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.616 0.408 -2.901 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.072 0.032 -1.223 1.00 0.09 H new ATOM 371 N VAL A 25 -1.053 -0.854 -1.523 1.00 0.09 N ATOM 372 CA VAL A 25 0.276 -0.976 -0.851 1.00 0.09 C ATOM 373 C VAL A 25 1.049 0.330 -1.002 1.00 0.10 C ATOM 374 O VAL A 25 1.023 0.961 -2.040 1.00 0.17 O ATOM 375 CB VAL A 25 1.064 -2.101 -1.522 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.240 -2.513 -0.637 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.144 -3.303 -1.745 1.00 0.09 C ATOM 0 H VAL A 25 -1.018 -0.866 -2.542 1.00 0.09 H new ATOM 0 HA VAL A 25 0.134 -1.193 0.208 1.00 0.09 H new ATOM 0 HB VAL A 25 1.446 -1.750 -2.481 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.797 -3.315 -1.122 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.897 -1.657 -0.483 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.866 -2.861 0.326 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.704 -4.106 -2.223 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.240 -3.650 -0.786 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.688 -3.010 -2.385 1.00 0.09 H new ATOM 387 N ASP A 26 1.745 0.731 0.028 1.00 0.08 N ATOM 388 CA ASP A 26 2.542 1.992 -0.031 1.00 0.08 C ATOM 389 C ASP A 26 4.031 1.645 -0.041 1.00 0.08 C ATOM 390 O ASP A 26 4.620 1.366 0.984 1.00 0.09 O ATOM 391 CB ASP A 26 2.225 2.847 1.198 1.00 0.09 C ATOM 392 CG ASP A 26 3.134 4.076 1.216 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.294 4.686 0.171 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.655 4.389 2.274 1.00 0.96 O ATOM 0 H ASP A 26 1.796 0.234 0.917 1.00 0.08 H new ATOM 0 HA ASP A 26 2.290 2.547 -0.935 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.180 3.156 1.179 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.368 2.263 2.107 1.00 0.09 H new ATOM 399 N PHE A 27 4.647 1.667 -1.192 1.00 0.08 N ATOM 400 CA PHE A 27 6.099 1.347 -1.265 1.00 0.09 C ATOM 401 C PHE A 27 6.877 2.623 -0.971 1.00 0.11 C ATOM 402 O PHE A 27 7.372 3.281 -1.865 1.00 0.13 O ATOM 403 CB PHE A 27 6.449 0.878 -2.676 1.00 0.10 C ATOM 404 CG PHE A 27 6.022 -0.558 -2.891 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.687 -0.862 -3.229 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.969 -1.591 -2.776 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.305 -2.202 -3.446 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.587 -2.928 -2.995 1.00 0.21 C ATOM 409 CZ PHE A 27 5.255 -3.234 -3.330 1.00 0.23 C ATOM 0 H PHE A 27 4.207 1.893 -2.084 1.00 0.08 H new ATOM 0 HA PHE A 27 6.346 0.563 -0.549 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.960 1.520 -3.408 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.523 0.970 -2.838 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.959 -0.070 -3.321 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.992 -1.358 -2.519 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.282 -2.437 -3.702 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.317 -3.719 -2.906 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.962 -4.260 -3.498 1.00 0.23 H new ATOM 419 N SER A 28 6.980 2.982 0.279 1.00 0.11 N ATOM 420 CA SER A 28 7.714 4.222 0.655 1.00 0.12 C ATOM 421 C SER A 28 9.067 3.844 1.252 1.00 0.10 C ATOM 422 O SER A 28 9.524 2.725 1.127 1.00 0.11 O ATOM 423 CB SER A 28 6.890 4.989 1.694 1.00 0.17 C ATOM 424 OG SER A 28 5.813 5.648 1.042 1.00 1.03 O ATOM 0 H SER A 28 6.583 2.464 1.063 1.00 0.11 H new ATOM 0 HA SER A 28 7.870 4.846 -0.225 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.508 4.304 2.451 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.518 5.716 2.210 1.00 0.17 H new ATOM 0 HG SER A 28 5.202 6.018 1.713 1.00 1.03 H new ATOM 430 N ALA A 29 9.705 4.771 1.905 1.00 0.10 N ATOM 431 CA ALA A 29 11.033 4.486 2.529 1.00 0.15 C ATOM 432 C ALA A 29 11.090 5.183 3.893 1.00 0.18 C ATOM 433 O ALA A 29 10.826 6.363 4.017 1.00 0.26 O ATOM 434 CB ALA A 29 12.150 5.000 1.611 1.00 0.19 C ATOM 0 H ALA A 29 9.364 5.723 2.037 1.00 0.10 H new ATOM 0 HA ALA A 29 11.168 3.413 2.667 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.119 4.793 2.065 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.087 4.498 0.645 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.039 6.075 1.469 1.00 0.19 H new ATOM 440 N THR A 30 11.397 4.440 4.919 1.00 0.18 N ATOM 441 CA THR A 30 11.436 5.020 6.296 1.00 0.23 C ATOM 442 C THR A 30 12.524 6.092 6.428 1.00 0.26 C ATOM 443 O THR A 30 12.362 7.050 7.157 1.00 0.31 O ATOM 444 CB THR A 30 11.711 3.901 7.303 1.00 0.26 C ATOM 445 OG1 THR A 30 11.721 4.442 8.618 1.00 0.32 O ATOM 446 CG2 THR A 30 13.066 3.261 7.002 1.00 0.28 C ATOM 0 H THR A 30 11.625 3.447 4.865 1.00 0.18 H new ATOM 0 HA THR A 30 10.472 5.489 6.494 1.00 0.23 H new ATOM 0 HB THR A 30 10.931 3.144 7.227 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.895 3.727 9.265 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.260 2.464 7.720 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.057 2.846 5.994 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.849 4.015 7.077 1.00 0.28 H new ATOM 454 N TRP A 31 13.635 5.947 5.755 1.00 0.26 N ATOM 455 CA TRP A 31 14.714 6.975 5.889 1.00 0.32 C ATOM 456 C TRP A 31 14.465 8.128 4.919 1.00 0.32 C ATOM 457 O TRP A 31 15.006 9.204 5.071 1.00 0.36 O ATOM 458 CB TRP A 31 16.082 6.337 5.603 1.00 0.34 C ATOM 459 CG TRP A 31 16.222 6.002 4.152 1.00 0.30 C ATOM 460 CD1 TRP A 31 16.031 4.774 3.616 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.598 6.876 3.052 1.00 0.33 C ATOM 462 NE1 TRP A 31 16.260 4.837 2.254 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.608 6.113 1.853 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.924 8.249 2.974 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.932 6.694 0.618 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.250 8.837 1.737 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.253 8.062 0.559 1.00 0.40 C ATOM 0 H TRP A 31 13.843 5.172 5.125 1.00 0.26 H new ATOM 0 HA TRP A 31 14.707 7.363 6.907 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.876 7.022 5.901 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.199 5.434 6.202 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.746 3.888 4.164 1.00 0.26 H new ATOM 0 HE1 TRP A 31 16.182 4.040 1.623 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.923 8.852 3.870 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.935 6.095 -0.281 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.499 9.887 1.690 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.502 8.519 -0.388 1.00 0.40 H new ATOM 478 N CYS A 32 13.649 7.919 3.923 1.00 0.28 N ATOM 479 CA CYS A 32 13.378 9.009 2.939 1.00 0.30 C ATOM 480 C CYS A 32 12.157 9.822 3.394 1.00 0.31 C ATOM 481 O CYS A 32 11.050 9.327 3.460 1.00 0.29 O ATOM 482 CB CYS A 32 13.125 8.372 1.567 1.00 0.28 C ATOM 483 SG CYS A 32 13.686 9.494 0.259 1.00 0.32 S ATOM 0 H CYS A 32 13.158 7.043 3.747 1.00 0.28 H new ATOM 0 HA CYS A 32 14.231 9.684 2.873 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.652 7.421 1.494 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.063 8.158 1.445 1.00 0.28 H new ATOM 488 N GLY A 33 12.369 11.071 3.711 1.00 0.34 N ATOM 489 CA GLY A 33 11.255 11.947 4.170 1.00 0.36 C ATOM 490 C GLY A 33 10.159 12.096 3.096 1.00 0.35 C ATOM 491 O GLY A 33 8.999 11.923 3.400 1.00 0.33 O ATOM 0 H GLY A 33 13.281 11.527 3.670 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.818 11.533 5.079 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.649 12.931 4.425 1.00 0.36 H new ATOM 495 N PRO A 34 10.536 12.441 1.880 1.00 0.37 N ATOM 496 CA PRO A 34 9.553 12.645 0.794 1.00 0.38 C ATOM 497 C PRO A 34 8.588 11.460 0.696 1.00 0.35 C ATOM 498 O PRO A 34 7.428 11.623 0.371 1.00 0.36 O ATOM 499 CB PRO A 34 10.414 12.797 -0.482 1.00 0.42 C ATOM 500 CG PRO A 34 11.869 13.067 -0.007 1.00 0.44 C ATOM 501 CD PRO A 34 11.945 12.650 1.479 1.00 0.40 C ATOM 0 HA PRO A 34 8.920 13.517 0.960 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.367 11.894 -1.091 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.050 13.618 -1.100 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.581 12.498 -0.604 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.124 14.120 -0.125 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.532 11.741 1.606 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.419 13.423 2.084 1.00 0.40 H new ATOM 509 N ALA A 35 9.046 10.277 0.975 1.00 0.33 N ATOM 510 CA ALA A 35 8.140 9.100 0.898 1.00 0.32 C ATOM 511 C ALA A 35 7.254 9.066 2.145 1.00 0.39 C ATOM 512 O ALA A 35 6.050 9.201 2.072 1.00 0.81 O ATOM 513 CB ALA A 35 8.980 7.823 0.821 1.00 0.36 C ATOM 0 H ALA A 35 10.006 10.072 1.253 1.00 0.33 H new ATOM 0 HA ALA A 35 7.511 9.171 0.011 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.321 6.957 0.764 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.612 7.856 -0.066 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.606 7.745 1.710 1.00 0.36 H new ATOM 519 N LYS A 36 7.851 8.892 3.289 1.00 0.30 N ATOM 520 CA LYS A 36 7.068 8.851 4.557 1.00 0.28 C ATOM 521 C LYS A 36 6.295 10.160 4.742 1.00 0.24 C ATOM 522 O LYS A 36 5.382 10.243 5.539 1.00 0.25 O ATOM 523 CB LYS A 36 8.041 8.663 5.727 1.00 0.35 C ATOM 524 CG LYS A 36 7.301 8.819 7.062 1.00 0.38 C ATOM 525 CD LYS A 36 8.209 8.369 8.209 1.00 0.49 C ATOM 526 CE LYS A 36 7.406 8.323 9.511 1.00 1.22 C ATOM 527 NZ LYS A 36 6.483 9.492 9.571 1.00 1.92 N ATOM 0 H LYS A 36 8.858 8.775 3.403 1.00 0.30 H new ATOM 0 HA LYS A 36 6.357 8.026 4.521 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.502 7.677 5.671 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.846 9.395 5.661 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.005 9.858 7.206 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.387 8.225 7.054 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.626 7.386 7.992 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.049 9.056 8.312 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.837 7.395 9.567 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.081 8.335 10.367 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 5.950 9.468 10.464 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.034 10.372 9.520 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 5.819 9.452 8.771 1.00 1.92 H new ATOM 541 N MET A 37 6.662 11.187 4.031 1.00 0.23 N ATOM 542 CA MET A 37 5.956 12.489 4.193 1.00 0.24 C ATOM 543 C MET A 37 4.466 12.334 3.877 1.00 0.20 C ATOM 544 O MET A 37 3.656 13.142 4.284 1.00 0.20 O ATOM 545 CB MET A 37 6.578 13.535 3.254 1.00 0.29 C ATOM 546 CG MET A 37 5.723 14.812 3.241 1.00 1.31 C ATOM 547 SD MET A 37 6.759 16.226 2.776 1.00 2.12 S ATOM 548 CE MET A 37 6.964 16.938 4.430 1.00 3.13 C ATOM 0 H MET A 37 7.418 11.183 3.346 1.00 0.23 H new ATOM 0 HA MET A 37 6.062 12.818 5.227 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.591 13.770 3.580 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.654 13.129 2.245 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.899 14.704 2.536 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.282 14.978 4.224 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.582 17.834 4.366 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.987 17.199 4.837 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.447 16.210 5.082 1.00 3.13 H new ATOM 558 N ILE A 38 4.097 11.317 3.140 1.00 0.18 N ATOM 559 CA ILE A 38 2.654 11.131 2.780 1.00 0.15 C ATOM 560 C ILE A 38 1.997 10.087 3.680 1.00 0.16 C ATOM 561 O ILE A 38 0.904 9.631 3.410 1.00 0.16 O ATOM 562 CB ILE A 38 2.555 10.679 1.322 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.212 11.749 0.438 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.073 10.497 0.919 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.373 11.236 -1.013 1.00 0.28 C ATOM 0 H ILE A 38 4.730 10.607 2.771 1.00 0.18 H new ATOM 0 HA ILE A 38 2.135 12.080 2.917 1.00 0.15 H new ATOM 0 HB ILE A 38 3.064 9.724 1.194 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.606 12.655 0.444 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.187 12.016 0.845 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.016 10.175 -0.121 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.612 9.744 1.558 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.545 11.444 1.035 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.840 12.009 -1.623 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.999 10.344 -1.016 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.393 10.993 -1.424 1.00 0.28 H new ATOM 577 N LYS A 39 2.629 9.699 4.755 1.00 0.19 N ATOM 578 CA LYS A 39 1.982 8.684 5.629 1.00 0.22 C ATOM 579 C LYS A 39 0.740 9.236 6.368 1.00 0.20 C ATOM 580 O LYS A 39 -0.162 8.474 6.635 1.00 0.21 O ATOM 581 CB LYS A 39 2.990 8.035 6.616 1.00 0.31 C ATOM 582 CG LYS A 39 3.277 8.909 7.861 1.00 0.34 C ATOM 583 CD LYS A 39 3.796 8.025 9.014 1.00 0.45 C ATOM 584 CE LYS A 39 2.695 7.064 9.512 1.00 1.16 C ATOM 585 NZ LYS A 39 2.895 5.724 8.891 1.00 1.62 N ATOM 0 H LYS A 39 3.544 10.032 5.059 1.00 0.19 H new ATOM 0 HA LYS A 39 1.626 7.898 4.963 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.600 7.070 6.940 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.926 7.841 6.093 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.014 9.674 7.617 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.369 9.428 8.169 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.659 7.451 8.677 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.133 8.655 9.837 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.730 6.983 10.598 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.711 7.454 9.253 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.013 5.419 8.433 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.653 5.780 8.181 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.159 5.037 9.626 1.00 1.62 H new ATOM 599 N PRO A 40 0.699 10.511 6.723 1.00 0.20 N ATOM 600 CA PRO A 40 -0.465 11.025 7.465 1.00 0.21 C ATOM 601 C PRO A 40 -1.730 10.882 6.615 1.00 0.17 C ATOM 602 O PRO A 40 -2.826 11.136 7.071 1.00 0.20 O ATOM 603 CB PRO A 40 -0.127 12.498 7.779 1.00 0.24 C ATOM 604 CG PRO A 40 1.323 12.754 7.280 1.00 0.25 C ATOM 605 CD PRO A 40 1.731 11.534 6.427 1.00 0.21 C ATOM 0 HA PRO A 40 -0.662 10.475 8.385 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.829 13.168 7.282 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.205 12.691 8.849 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.372 13.670 6.691 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.004 12.880 8.122 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.752 11.781 5.366 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.728 11.180 6.691 1.00 0.21 H new ATOM 613 N PHE A 41 -1.580 10.464 5.383 1.00 0.14 N ATOM 614 CA PHE A 41 -2.761 10.278 4.485 1.00 0.14 C ATOM 615 C PHE A 41 -2.969 8.786 4.237 1.00 0.11 C ATOM 616 O PHE A 41 -3.881 8.187 4.764 1.00 0.13 O ATOM 617 CB PHE A 41 -2.505 11.002 3.159 1.00 0.15 C ATOM 618 CG PHE A 41 -2.794 12.471 3.343 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.837 13.303 3.953 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.028 13.002 2.922 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.114 14.672 4.140 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.307 14.369 3.109 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.349 15.205 3.718 1.00 0.27 C ATOM 0 H PHE A 41 -0.680 10.241 4.957 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.655 10.692 4.951 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.472 10.857 2.844 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.139 10.588 2.375 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.892 12.893 4.277 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.761 12.360 2.455 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.380 15.313 4.606 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.254 14.777 2.786 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.561 16.254 3.861 1.00 0.27 H new ATOM 633 N PHE A 42 -2.129 8.185 3.441 1.00 0.10 N ATOM 634 CA PHE A 42 -2.271 6.729 3.142 1.00 0.11 C ATOM 635 C PHE A 42 -2.605 5.945 4.418 1.00 0.11 C ATOM 636 O PHE A 42 -3.605 5.259 4.492 1.00 0.12 O ATOM 637 CB PHE A 42 -0.950 6.214 2.565 1.00 0.13 C ATOM 638 CG PHE A 42 -1.022 4.721 2.371 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.689 4.195 1.252 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.415 3.854 3.304 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.750 2.804 1.060 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.479 2.461 3.112 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.147 1.935 1.991 1.00 0.10 C ATOM 0 H PHE A 42 -1.343 8.643 2.980 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.081 6.589 2.426 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.743 6.704 1.613 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.128 6.463 3.236 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.155 4.859 0.539 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.098 4.258 4.164 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.260 2.401 0.198 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.015 1.796 3.825 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.198 0.866 1.844 1.00 0.10 H new ATOM 653 N HIS A 43 -1.773 6.032 5.415 1.00 0.14 N ATOM 654 CA HIS A 43 -2.036 5.286 6.679 1.00 0.16 C ATOM 655 C HIS A 43 -3.286 5.846 7.379 1.00 0.16 C ATOM 656 O HIS A 43 -4.005 5.125 8.042 1.00 0.18 O ATOM 657 CB HIS A 43 -0.778 5.370 7.576 1.00 0.21 C ATOM 658 CG HIS A 43 -1.131 5.266 9.038 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.090 4.066 9.729 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.570 6.206 9.938 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.497 4.311 10.988 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.804 5.600 11.168 1.00 0.39 N ATOM 0 H HIS A 43 -0.919 6.589 5.411 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.238 4.236 6.465 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.087 4.570 7.310 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.261 6.312 7.392 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.712 7.255 9.724 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.567 3.558 11.759 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.138 6.044 12.024 1.00 0.39 H new ATOM 670 N SER A 44 -3.558 7.114 7.243 1.00 0.20 N ATOM 671 CA SER A 44 -4.766 7.684 7.909 1.00 0.25 C ATOM 672 C SER A 44 -6.042 7.070 7.310 1.00 0.20 C ATOM 673 O SER A 44 -6.987 6.780 8.016 1.00 0.21 O ATOM 674 CB SER A 44 -4.784 9.203 7.727 1.00 0.34 C ATOM 675 OG SER A 44 -3.907 9.795 8.675 1.00 0.97 O ATOM 0 H SER A 44 -3.002 7.777 6.704 1.00 0.20 H new ATOM 0 HA SER A 44 -4.730 7.448 8.973 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.475 9.464 6.715 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.796 9.586 7.860 1.00 0.34 H new ATOM 0 HG SER A 44 -3.525 10.616 8.300 1.00 0.97 H new ATOM 681 N LEU A 45 -6.083 6.875 6.016 1.00 0.18 N ATOM 682 CA LEU A 45 -7.309 6.287 5.390 1.00 0.18 C ATOM 683 C LEU A 45 -7.730 5.034 6.164 1.00 0.16 C ATOM 684 O LEU A 45 -8.821 4.528 5.991 1.00 0.23 O ATOM 685 CB LEU A 45 -7.023 5.902 3.931 1.00 0.19 C ATOM 686 CG LEU A 45 -6.577 7.125 3.112 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.457 6.721 1.640 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.600 8.266 3.248 1.00 0.50 C ATOM 0 H LEU A 45 -5.326 7.096 5.368 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.109 7.027 5.419 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.247 5.137 3.899 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.918 5.468 3.484 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.614 7.474 3.486 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.141 7.582 1.051 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.721 5.923 1.540 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.424 6.370 1.279 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.269 9.123 2.662 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.570 7.930 2.883 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.687 8.554 4.296 1.00 0.50 H new ATOM 700 N SER A 46 -6.882 4.530 7.016 1.00 0.20 N ATOM 701 CA SER A 46 -7.249 3.312 7.794 1.00 0.25 C ATOM 702 C SER A 46 -8.523 3.581 8.601 1.00 0.17 C ATOM 703 O SER A 46 -9.295 2.684 8.876 1.00 0.15 O ATOM 704 CB SER A 46 -6.111 2.952 8.748 1.00 0.36 C ATOM 705 OG SER A 46 -4.892 2.884 8.020 1.00 0.51 O ATOM 0 H SER A 46 -5.954 4.906 7.208 1.00 0.20 H new ATOM 0 HA SER A 46 -7.423 2.485 7.106 1.00 0.25 H new ATOM 0 HB2 SER A 46 -6.034 3.698 9.539 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.314 1.996 9.230 1.00 0.36 H new ATOM 0 HG SER A 46 -4.280 3.579 8.341 1.00 0.51 H new ATOM 711 N GLU A 47 -8.745 4.810 8.992 1.00 0.21 N ATOM 712 CA GLU A 47 -9.965 5.140 9.794 1.00 0.21 C ATOM 713 C GLU A 47 -11.081 5.634 8.872 1.00 0.18 C ATOM 714 O GLU A 47 -12.245 5.593 9.217 1.00 0.18 O ATOM 715 CB GLU A 47 -9.622 6.241 10.801 1.00 0.32 C ATOM 716 CG GLU A 47 -8.296 5.910 11.487 1.00 0.39 C ATOM 717 CD GLU A 47 -8.002 6.959 12.562 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.911 8.125 12.215 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.874 6.578 13.714 1.00 2.00 O ATOM 0 H GLU A 47 -8.134 5.601 8.791 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.302 4.245 10.318 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.551 7.203 10.294 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.415 6.330 11.543 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.344 4.918 11.936 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.490 5.890 10.754 1.00 0.39 H new ATOM 726 N LYS A 48 -10.740 6.110 7.704 1.00 0.18 N ATOM 727 CA LYS A 48 -11.787 6.615 6.767 1.00 0.17 C ATOM 728 C LYS A 48 -12.262 5.472 5.866 1.00 0.15 C ATOM 729 O LYS A 48 -13.333 5.525 5.293 1.00 0.18 O ATOM 730 CB LYS A 48 -11.194 7.735 5.907 1.00 0.21 C ATOM 731 CG LYS A 48 -12.324 8.528 5.243 1.00 0.26 C ATOM 732 CD LYS A 48 -11.728 9.590 4.316 1.00 1.09 C ATOM 733 CE LYS A 48 -12.836 10.192 3.449 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.784 10.952 4.313 1.00 2.16 N ATOM 0 H LYS A 48 -9.782 6.171 7.358 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.634 7.000 7.335 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.585 8.397 6.523 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.537 7.314 5.147 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.969 7.857 4.676 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.946 9.001 6.003 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.246 10.372 4.904 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.958 9.146 3.685 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.405 10.851 2.695 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.366 9.402 2.916 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.436 11.499 3.715 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.327 10.288 4.900 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.251 11.600 4.927 1.00 2.16 H new ATOM 748 N TYR A 49 -11.471 4.435 5.743 1.00 0.13 N ATOM 749 CA TYR A 49 -11.862 3.272 4.885 1.00 0.13 C ATOM 750 C TYR A 49 -11.570 1.972 5.637 1.00 0.11 C ATOM 751 O TYR A 49 -10.678 1.225 5.285 1.00 0.11 O ATOM 752 CB TYR A 49 -11.057 3.306 3.579 1.00 0.15 C ATOM 753 CG TYR A 49 -11.682 4.297 2.626 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.873 3.962 1.957 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.080 5.552 2.411 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.465 4.880 1.071 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.670 6.472 1.527 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.865 6.137 0.855 1.00 0.21 C ATOM 759 OH TYR A 49 -13.445 7.039 -0.013 1.00 0.24 O ATOM 0 H TYR A 49 -10.565 4.343 6.203 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.925 3.327 4.652 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.023 3.585 3.784 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.036 2.314 3.127 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.333 2.999 2.124 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.165 5.807 2.925 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.379 4.622 0.556 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.209 7.435 1.362 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.904 7.856 -0.045 1.00 0.24 H new ATOM 769 N SER A 50 -12.319 1.694 6.667 1.00 0.12 N ATOM 770 CA SER A 50 -12.091 0.441 7.438 1.00 0.13 C ATOM 771 C SER A 50 -12.453 -0.760 6.563 1.00 0.13 C ATOM 772 O SER A 50 -12.263 -1.900 6.940 1.00 0.14 O ATOM 773 CB SER A 50 -12.971 0.450 8.688 1.00 0.16 C ATOM 774 OG SER A 50 -14.337 0.374 8.300 1.00 0.17 O ATOM 0 H SER A 50 -13.080 2.281 7.008 1.00 0.12 H new ATOM 0 HA SER A 50 -11.044 0.373 7.733 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.716 -0.392 9.332 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.795 1.358 9.265 1.00 0.16 H new ATOM 0 HG SER A 50 -14.905 0.378 9.099 1.00 0.17 H new ATOM 780 N ASN A 51 -12.980 -0.509 5.393 1.00 0.13 N ATOM 781 CA ASN A 51 -13.368 -1.621 4.475 1.00 0.15 C ATOM 782 C ASN A 51 -12.236 -1.879 3.479 1.00 0.13 C ATOM 783 O ASN A 51 -12.332 -2.735 2.624 1.00 0.14 O ATOM 784 CB ASN A 51 -14.638 -1.212 3.721 1.00 0.17 C ATOM 785 CG ASN A 51 -15.276 -2.436 3.054 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.570 -2.589 3.107 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -14.594 -3.258 2.476 1.00 0.32 N flip ATOM 0 H ASN A 51 -13.160 0.428 5.031 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.553 -2.531 5.046 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.347 -0.754 4.410 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.397 -0.463 2.967 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -13.582 -3.141 2.433 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.034 -4.065 2.034 1.00 0.32 H new ATOM 794 N VAL A 52 -11.156 -1.142 3.586 1.00 0.11 N ATOM 795 CA VAL A 52 -10.002 -1.333 2.647 1.00 0.10 C ATOM 796 C VAL A 52 -8.777 -1.807 3.424 1.00 0.10 C ATOM 797 O VAL A 52 -8.562 -1.433 4.560 1.00 0.11 O ATOM 798 CB VAL A 52 -9.675 -0.005 1.973 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.480 -0.185 1.031 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.896 0.471 1.181 1.00 0.12 C ATOM 0 H VAL A 52 -11.023 -0.413 4.286 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.270 -2.077 1.897 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.421 0.738 2.729 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.249 0.766 0.551 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.615 -0.523 1.601 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.725 -0.926 0.270 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.668 1.421 0.697 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.150 -0.271 0.424 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.740 0.602 1.858 1.00 0.12 H new ATOM 810 N ILE A 53 -7.974 -2.634 2.813 1.00 0.09 N ATOM 811 CA ILE A 53 -6.751 -3.154 3.492 1.00 0.09 C ATOM 812 C ILE A 53 -5.536 -2.344 3.026 1.00 0.09 C ATOM 813 O ILE A 53 -5.251 -2.259 1.848 1.00 0.14 O ATOM 814 CB ILE A 53 -6.556 -4.626 3.104 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.907 -5.375 3.122 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.546 -5.301 4.045 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.745 -5.050 4.378 1.00 0.17 C ATOM 0 H ILE A 53 -8.114 -2.976 1.862 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.858 -3.066 4.573 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.158 -4.666 2.090 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.477 -5.112 2.231 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.724 -6.449 3.078 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.420 -6.344 3.755 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.587 -4.787 3.978 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.914 -5.251 5.070 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.684 -5.602 4.341 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.189 -5.338 5.271 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.953 -3.981 4.410 1.00 0.17 H new ATOM 829 N PHE A 54 -4.818 -1.754 3.946 1.00 0.08 N ATOM 830 CA PHE A 54 -3.611 -0.946 3.582 1.00 0.08 C ATOM 831 C PHE A 54 -2.358 -1.698 4.023 1.00 0.08 C ATOM 832 O PHE A 54 -2.271 -2.176 5.133 1.00 0.11 O ATOM 833 CB PHE A 54 -3.669 0.402 4.304 1.00 0.08 C ATOM 834 CG PHE A 54 -4.844 1.192 3.781 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.818 1.695 2.466 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.966 1.423 4.601 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.912 2.429 1.970 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.061 2.157 4.105 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.034 2.660 2.790 1.00 0.09 C ATOM 0 H PHE A 54 -5.017 -1.797 4.945 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.586 -0.784 2.504 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.767 0.249 5.379 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.743 0.955 4.144 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.958 1.517 1.837 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.987 1.037 5.610 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.891 2.815 0.961 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.921 2.334 4.733 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.874 3.223 2.410 1.00 0.09 H new ATOM 849 N LEU A 55 -1.388 -1.813 3.154 1.00 0.08 N ATOM 850 CA LEU A 55 -0.124 -2.538 3.502 1.00 0.09 C ATOM 851 C LEU A 55 1.033 -1.535 3.496 1.00 0.09 C ATOM 852 O LEU A 55 0.871 -0.384 3.141 1.00 0.10 O ATOM 853 CB LEU A 55 0.146 -3.628 2.451 1.00 0.10 C ATOM 854 CG LEU A 55 -0.676 -4.895 2.745 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.169 -4.554 2.900 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.484 -5.878 1.581 1.00 0.12 C ATOM 0 H LEU A 55 -1.415 -1.433 2.208 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.218 -2.998 4.486 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.103 -3.251 1.459 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.208 -3.874 2.441 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.334 -5.341 3.679 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.731 -5.465 3.107 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.298 -3.852 3.724 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.537 -4.103 1.978 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.060 -6.784 1.771 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.828 -5.417 0.655 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.572 -6.132 1.490 1.00 0.12 H new ATOM 868 N GLU A 56 2.203 -1.968 3.879 1.00 0.09 N ATOM 869 CA GLU A 56 3.384 -1.055 3.892 1.00 0.09 C ATOM 870 C GLU A 56 4.616 -1.853 3.467 1.00 0.09 C ATOM 871 O GLU A 56 4.771 -3.002 3.831 1.00 0.10 O ATOM 872 CB GLU A 56 3.586 -0.497 5.305 1.00 0.09 C ATOM 873 CG GLU A 56 4.751 0.495 5.300 1.00 0.11 C ATOM 874 CD GLU A 56 4.734 1.310 6.596 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.697 0.703 7.653 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.760 2.526 6.508 1.00 1.31 O ATOM 0 H GLU A 56 2.394 -2.922 4.186 1.00 0.09 H new ATOM 0 HA GLU A 56 3.225 -0.223 3.206 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.676 -0.004 5.646 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.789 -1.309 6.003 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.697 -0.039 5.206 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.673 1.159 4.439 1.00 0.11 H new ATOM 883 N VAL A 57 5.484 -1.264 2.681 1.00 0.08 N ATOM 884 CA VAL A 57 6.698 -2.004 2.211 1.00 0.08 C ATOM 885 C VAL A 57 7.925 -1.089 2.249 1.00 0.09 C ATOM 886 O VAL A 57 7.878 0.050 1.824 1.00 0.14 O ATOM 887 CB VAL A 57 6.482 -2.470 0.768 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.665 -3.333 0.332 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.195 -3.287 0.664 1.00 0.09 C ATOM 0 H VAL A 57 5.405 -0.304 2.345 1.00 0.08 H new ATOM 0 HA VAL A 57 6.861 -2.859 2.866 1.00 0.08 H new ATOM 0 HB VAL A 57 6.402 -1.596 0.121 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.514 -3.666 -0.695 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.583 -2.749 0.392 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.743 -4.201 0.987 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.053 -3.612 -0.367 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.264 -4.159 1.314 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.348 -2.673 0.971 1.00 0.09 H new ATOM 899 N ASP A 58 9.032 -1.592 2.736 1.00 0.09 N ATOM 900 CA ASP A 58 10.284 -0.779 2.784 1.00 0.09 C ATOM 901 C ASP A 58 11.136 -1.140 1.564 1.00 0.10 C ATOM 902 O ASP A 58 11.726 -2.200 1.500 1.00 0.11 O ATOM 903 CB ASP A 58 11.056 -1.101 4.071 1.00 0.11 C ATOM 904 CG ASP A 58 12.088 -0.004 4.341 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.686 1.140 4.476 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.263 -0.326 4.412 1.00 1.08 O ATOM 0 H ASP A 58 9.122 -2.539 3.105 1.00 0.09 H new ATOM 0 HA ASP A 58 10.046 0.285 2.774 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.366 -1.179 4.911 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.553 -2.066 3.976 1.00 0.11 H new ATOM 911 N VAL A 59 11.187 -0.278 0.589 1.00 0.12 N ATOM 912 CA VAL A 59 11.981 -0.582 -0.639 1.00 0.15 C ATOM 913 C VAL A 59 13.469 -0.658 -0.304 1.00 0.18 C ATOM 914 O VAL A 59 14.283 -0.951 -1.155 1.00 0.27 O ATOM 915 CB VAL A 59 11.757 0.519 -1.679 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.298 0.504 -2.133 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.078 1.889 -1.070 1.00 0.22 C ATOM 0 H VAL A 59 10.714 0.626 0.587 1.00 0.12 H new ATOM 0 HA VAL A 59 11.655 -1.543 -1.038 1.00 0.15 H new ATOM 0 HB VAL A 59 12.412 0.339 -2.531 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.139 1.288 -2.873 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.064 -0.465 -2.575 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.648 0.678 -1.275 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.916 2.666 -1.817 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.428 2.068 -0.213 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.119 1.908 -0.746 1.00 0.22 H new ATOM 927 N ASP A 60 13.836 -0.370 0.917 1.00 0.16 N ATOM 928 CA ASP A 60 15.281 -0.389 1.303 1.00 0.18 C ATOM 929 C ASP A 60 15.619 -1.659 2.095 1.00 0.17 C ATOM 930 O ASP A 60 16.631 -2.289 1.861 1.00 0.18 O ATOM 931 CB ASP A 60 15.569 0.843 2.168 1.00 0.21 C ATOM 932 CG ASP A 60 15.672 2.087 1.279 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.640 2.650 0.958 1.00 1.08 O ATOM 934 OD2 ASP A 60 16.785 2.454 0.938 1.00 1.11 O ATOM 0 H ASP A 60 13.194 -0.121 1.669 1.00 0.16 H new ATOM 0 HA ASP A 60 15.893 -0.377 0.401 1.00 0.18 H new ATOM 0 HB2 ASP A 60 14.776 0.975 2.904 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.498 0.702 2.721 1.00 0.21 H new ATOM 939 N ASP A 61 14.799 -2.027 3.044 1.00 0.17 N ATOM 940 CA ASP A 61 15.093 -3.242 3.867 1.00 0.17 C ATOM 941 C ASP A 61 14.352 -4.465 3.301 1.00 0.16 C ATOM 942 O ASP A 61 14.652 -5.589 3.654 1.00 0.18 O ATOM 943 CB ASP A 61 14.657 -2.969 5.315 1.00 0.19 C ATOM 944 CG ASP A 61 14.558 -4.281 6.103 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.584 -4.748 6.569 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.457 -4.793 6.226 1.00 1.07 O ATOM 0 H ASP A 61 13.937 -1.539 3.287 1.00 0.17 H new ATOM 0 HA ASP A 61 16.161 -3.458 3.840 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.372 -2.302 5.797 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.693 -2.461 5.321 1.00 0.19 H new ATOM 951 N ALA A 62 13.398 -4.259 2.424 1.00 0.16 N ATOM 952 CA ALA A 62 12.641 -5.412 1.826 1.00 0.16 C ATOM 953 C ALA A 62 12.838 -5.407 0.309 1.00 0.16 C ATOM 954 O ALA A 62 11.896 -5.499 -0.452 1.00 0.15 O ATOM 955 CB ALA A 62 11.150 -5.270 2.146 1.00 0.17 C ATOM 0 H ALA A 62 13.108 -3.339 2.094 1.00 0.16 H new ATOM 0 HA ALA A 62 13.011 -6.348 2.244 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.603 -6.107 1.711 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.009 -5.266 3.227 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.775 -4.336 1.728 1.00 0.17 H new ATOM 961 N GLN A 63 14.061 -5.293 -0.130 1.00 0.20 N ATOM 962 CA GLN A 63 14.336 -5.274 -1.595 1.00 0.22 C ATOM 963 C GLN A 63 13.736 -6.516 -2.262 1.00 0.20 C ATOM 964 O GLN A 63 13.657 -6.602 -3.472 1.00 0.20 O ATOM 965 CB GLN A 63 15.849 -5.261 -1.827 1.00 0.29 C ATOM 966 CG GLN A 63 16.487 -4.154 -0.985 1.00 0.90 C ATOM 967 CD GLN A 63 17.937 -3.948 -1.428 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.207 -3.767 -2.598 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.889 -3.971 -0.535 1.00 2.22 N ATOM 0 H GLN A 63 14.885 -5.212 0.465 1.00 0.20 H new ATOM 0 HA GLN A 63 13.884 -4.382 -2.028 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.277 -6.227 -1.560 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.064 -5.098 -2.883 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.926 -3.227 -1.099 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.453 -4.420 0.071 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.663 -4.123 0.448 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.859 -3.837 -0.820 1.00 2.22 H new ATOM 978 N ASP A 64 13.318 -7.483 -1.491 1.00 0.19 N ATOM 979 CA ASP A 64 12.733 -8.712 -2.096 1.00 0.20 C ATOM 980 C ASP A 64 11.371 -8.384 -2.705 1.00 0.17 C ATOM 981 O ASP A 64 11.050 -8.810 -3.797 1.00 0.19 O ATOM 982 CB ASP A 64 12.563 -9.779 -1.013 1.00 0.22 C ATOM 983 CG ASP A 64 11.891 -9.160 0.214 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.553 -8.413 0.915 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.724 -9.445 0.432 1.00 1.09 O ATOM 0 H ASP A 64 13.356 -7.475 -0.472 1.00 0.19 H new ATOM 0 HA ASP A 64 13.398 -9.085 -2.875 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.961 -10.605 -1.393 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.534 -10.192 -0.739 1.00 0.22 H new ATOM 990 N VAL A 65 10.569 -7.626 -2.012 1.00 0.15 N ATOM 991 CA VAL A 65 9.231 -7.267 -2.558 1.00 0.16 C ATOM 992 C VAL A 65 9.413 -6.245 -3.679 1.00 0.16 C ATOM 993 O VAL A 65 8.828 -6.358 -4.738 1.00 0.19 O ATOM 994 CB VAL A 65 8.376 -6.663 -1.445 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.916 -6.602 -1.898 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.486 -7.535 -0.193 1.00 0.18 C ATOM 0 H VAL A 65 10.782 -7.240 -1.092 1.00 0.15 H new ATOM 0 HA VAL A 65 8.736 -8.156 -2.948 1.00 0.16 H new ATOM 0 HB VAL A 65 8.727 -5.656 -1.221 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.306 -6.171 -1.104 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.838 -5.983 -2.792 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.562 -7.608 -2.122 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.877 -7.107 0.603 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.133 -8.541 -0.418 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.526 -7.579 0.130 1.00 0.18 H new ATOM 1006 N ALA A 66 10.231 -5.254 -3.456 1.00 0.16 N ATOM 1007 CA ALA A 66 10.463 -4.230 -4.509 1.00 0.18 C ATOM 1008 C ALA A 66 11.096 -4.901 -5.728 1.00 0.19 C ATOM 1009 O ALA A 66 10.885 -4.496 -6.854 1.00 0.20 O ATOM 1010 CB ALA A 66 11.405 -3.151 -3.971 1.00 0.22 C ATOM 0 H ALA A 66 10.749 -5.110 -2.589 1.00 0.16 H new ATOM 0 HA ALA A 66 9.516 -3.772 -4.793 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.576 -2.400 -4.742 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.956 -2.679 -3.097 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.355 -3.605 -3.690 1.00 0.22 H new ATOM 1016 N SER A 67 11.873 -5.927 -5.511 1.00 0.21 N ATOM 1017 CA SER A 67 12.521 -6.628 -6.652 1.00 0.26 C ATOM 1018 C SER A 67 11.445 -7.276 -7.528 1.00 0.26 C ATOM 1019 O SER A 67 11.400 -7.074 -8.725 1.00 0.29 O ATOM 1020 CB SER A 67 13.468 -7.704 -6.120 1.00 0.31 C ATOM 1021 OG SER A 67 14.630 -7.080 -5.584 1.00 1.29 O ATOM 0 H SER A 67 12.086 -6.310 -4.590 1.00 0.21 H new ATOM 0 HA SER A 67 13.088 -5.911 -7.246 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.971 -8.296 -5.351 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.745 -8.390 -6.921 1.00 0.31 H new ATOM 0 HG SER A 67 14.540 -7.001 -4.611 1.00 1.29 H new ATOM 1027 N GLU A 68 10.575 -8.052 -6.939 1.00 0.26 N ATOM 1028 CA GLU A 68 9.501 -8.711 -7.737 1.00 0.30 C ATOM 1029 C GLU A 68 8.590 -7.640 -8.345 1.00 0.31 C ATOM 1030 O GLU A 68 8.094 -7.788 -9.444 1.00 0.36 O ATOM 1031 CB GLU A 68 8.678 -9.624 -6.822 1.00 0.31 C ATOM 1032 CG GLU A 68 7.708 -10.464 -7.661 1.00 0.39 C ATOM 1033 CD GLU A 68 8.487 -11.529 -8.432 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.800 -12.550 -7.842 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.758 -11.307 -9.601 1.00 2.20 O ATOM 0 H GLU A 68 10.562 -8.258 -5.940 1.00 0.26 H new ATOM 0 HA GLU A 68 9.948 -9.303 -8.536 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.340 -10.277 -6.254 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.123 -9.025 -6.099 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.968 -10.937 -7.015 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.163 -9.824 -8.355 1.00 0.39 H new ATOM 1042 N ALA A 69 8.365 -6.565 -7.638 1.00 0.29 N ATOM 1043 CA ALA A 69 7.481 -5.486 -8.175 1.00 0.31 C ATOM 1044 C ALA A 69 8.310 -4.520 -9.027 1.00 0.29 C ATOM 1045 O ALA A 69 7.791 -3.594 -9.616 1.00 0.33 O ATOM 1046 CB ALA A 69 6.847 -4.724 -7.010 1.00 0.31 C ATOM 0 H ALA A 69 8.754 -6.386 -6.712 1.00 0.29 H new ATOM 0 HA ALA A 69 6.698 -5.929 -8.790 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.202 -3.936 -7.399 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.256 -5.411 -6.404 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.631 -4.281 -6.396 1.00 0.31 H new ATOM 1052 N GLU A 70 9.594 -4.737 -9.104 1.00 0.27 N ATOM 1053 CA GLU A 70 10.462 -3.842 -9.924 1.00 0.29 C ATOM 1054 C GLU A 70 10.123 -2.374 -9.643 1.00 0.25 C ATOM 1055 O GLU A 70 9.848 -1.607 -10.546 1.00 0.26 O ATOM 1056 CB GLU A 70 10.242 -4.143 -11.408 1.00 0.38 C ATOM 1057 CG GLU A 70 10.832 -5.514 -11.743 1.00 1.18 C ATOM 1058 CD GLU A 70 10.633 -5.808 -13.230 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.298 -4.886 -13.956 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.819 -6.949 -13.619 1.00 2.34 O ATOM 0 H GLU A 70 10.082 -5.498 -8.633 1.00 0.27 H new ATOM 0 HA GLU A 70 11.505 -4.020 -9.663 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.177 -4.127 -11.639 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.713 -3.373 -12.020 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.894 -5.534 -11.497 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.350 -6.285 -11.142 1.00 1.18 H new ATOM 1067 N VAL A 71 10.154 -1.975 -8.401 1.00 0.22 N ATOM 1068 CA VAL A 71 9.850 -0.554 -8.061 1.00 0.19 C ATOM 1069 C VAL A 71 11.078 0.307 -8.366 1.00 0.23 C ATOM 1070 O VAL A 71 12.193 -0.061 -8.052 1.00 0.28 O ATOM 1071 CB VAL A 71 9.506 -0.453 -6.576 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.015 0.960 -6.270 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.400 -1.456 -6.237 1.00 0.19 C ATOM 0 H VAL A 71 10.377 -2.572 -7.605 1.00 0.22 H new ATOM 0 HA VAL A 71 9.004 -0.203 -8.652 1.00 0.19 H new ATOM 0 HB VAL A 71 10.392 -0.674 -5.981 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.768 1.038 -5.211 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.798 1.678 -6.514 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.128 1.174 -6.866 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.155 -1.383 -5.177 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.513 -1.234 -6.830 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.743 -2.466 -6.462 1.00 0.19 H new ATOM 1083 N LYS A 72 10.882 1.448 -8.985 1.00 0.24 N ATOM 1084 CA LYS A 72 12.037 2.343 -9.331 1.00 0.29 C ATOM 1085 C LYS A 72 11.759 3.766 -8.837 1.00 0.26 C ATOM 1086 O LYS A 72 12.553 4.664 -9.036 1.00 0.27 O ATOM 1087 CB LYS A 72 12.216 2.365 -10.851 1.00 0.35 C ATOM 1088 CG LYS A 72 12.557 0.959 -11.347 1.00 0.43 C ATOM 1089 CD LYS A 72 12.460 0.918 -12.874 1.00 1.16 C ATOM 1090 CE LYS A 72 13.024 -0.408 -13.388 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.140 -1.527 -12.954 1.00 2.40 N ATOM 0 H LYS A 72 9.967 1.801 -9.267 1.00 0.24 H new ATOM 0 HA LYS A 72 12.942 1.966 -8.854 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.303 2.719 -11.330 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.010 3.060 -11.124 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.562 0.684 -11.028 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.873 0.232 -10.909 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.421 1.028 -13.186 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.013 1.752 -13.306 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.095 -0.388 -14.475 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.033 -0.559 -13.005 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.434 -2.405 -13.427 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.213 -1.647 -11.924 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.155 -1.310 -13.209 1.00 2.40 H new ATOM 1105 N ALA A 73 10.643 3.982 -8.195 1.00 0.22 N ATOM 1106 CA ALA A 73 10.323 5.355 -7.689 1.00 0.20 C ATOM 1107 C ALA A 73 9.389 5.237 -6.482 1.00 0.18 C ATOM 1108 O ALA A 73 8.465 4.461 -6.496 1.00 0.16 O ATOM 1109 CB ALA A 73 9.633 6.160 -8.812 1.00 0.21 C ATOM 0 H ALA A 73 9.938 3.271 -7.998 1.00 0.22 H new ATOM 0 HA ALA A 73 11.237 5.867 -7.389 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.397 7.161 -8.450 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.301 6.232 -9.671 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.713 5.656 -9.109 1.00 0.21 H new ATOM 1115 N THR A 74 9.617 6.012 -5.443 1.00 0.18 N ATOM 1116 CA THR A 74 8.725 5.950 -4.234 1.00 0.17 C ATOM 1117 C THR A 74 8.079 7.333 -4.022 1.00 0.17 C ATOM 1118 O THR A 74 8.696 8.331 -4.337 1.00 0.19 O ATOM 1119 CB THR A 74 9.563 5.602 -2.987 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.639 6.518 -2.877 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.134 4.175 -3.081 1.00 0.19 C ATOM 0 H THR A 74 10.381 6.684 -5.380 1.00 0.18 H new ATOM 0 HA THR A 74 7.959 5.189 -4.386 1.00 0.17 H new ATOM 0 HB THR A 74 8.915 5.662 -2.112 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.173 6.301 -2.085 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.720 3.958 -2.188 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.315 3.460 -3.160 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.772 4.095 -3.962 1.00 0.19 H new ATOM 1129 N PRO A 75 6.877 7.383 -3.467 1.00 0.17 N ATOM 1130 CA PRO A 75 6.078 6.199 -3.061 1.00 0.16 C ATOM 1131 C PRO A 75 5.410 5.566 -4.299 1.00 0.14 C ATOM 1132 O PRO A 75 5.001 6.265 -5.206 1.00 0.14 O ATOM 1133 CB PRO A 75 5.002 6.778 -2.110 1.00 0.17 C ATOM 1134 CG PRO A 75 5.038 8.327 -2.262 1.00 0.20 C ATOM 1135 CD PRO A 75 6.236 8.677 -3.173 1.00 0.19 C ATOM 0 HA PRO A 75 6.680 5.422 -2.590 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.016 6.389 -2.363 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.204 6.488 -1.079 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.107 8.691 -2.696 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.144 8.805 -1.288 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.907 9.172 -4.087 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.927 9.356 -2.674 1.00 0.19 H new ATOM 1143 N THR A 76 5.274 4.257 -4.329 1.00 0.13 N ATOM 1144 CA THR A 76 4.603 3.586 -5.495 1.00 0.12 C ATOM 1145 C THR A 76 3.319 2.942 -4.987 1.00 0.12 C ATOM 1146 O THR A 76 3.356 2.029 -4.186 1.00 0.18 O ATOM 1147 CB THR A 76 5.509 2.485 -6.088 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.853 2.916 -6.037 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.127 2.219 -7.550 1.00 0.13 C ATOM 0 H THR A 76 5.598 3.625 -3.597 1.00 0.13 H new ATOM 0 HA THR A 76 4.399 4.324 -6.271 1.00 0.12 H new ATOM 0 HB THR A 76 5.383 1.569 -5.510 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.914 3.838 -6.364 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.772 1.441 -7.959 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.088 1.893 -7.601 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.249 3.134 -8.130 1.00 0.13 H new ATOM 1157 N PHE A 77 2.182 3.395 -5.437 1.00 0.09 N ATOM 1158 CA PHE A 77 0.910 2.779 -4.957 1.00 0.09 C ATOM 1159 C PHE A 77 0.525 1.643 -5.886 1.00 0.09 C ATOM 1160 O PHE A 77 0.304 1.828 -7.065 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.206 3.818 -4.924 1.00 0.10 C ATOM 1162 CG PHE A 77 0.107 4.815 -3.845 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.117 4.469 -2.503 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.630 6.080 -4.174 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.180 5.388 -1.482 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.926 7.003 -3.153 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.702 6.659 -1.805 1.00 0.12 C ATOM 0 H PHE A 77 2.077 4.156 -6.108 1.00 0.09 H new ATOM 0 HA PHE A 77 1.058 2.397 -3.947 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.288 4.317 -5.889 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.165 3.338 -4.730 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.517 3.497 -2.255 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.804 6.342 -5.207 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.009 5.121 -0.450 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.325 7.975 -3.403 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.929 7.366 -1.021 1.00 0.12 H new ATOM 1177 N GLN A 78 0.447 0.460 -5.347 1.00 0.07 N ATOM 1178 CA GLN A 78 0.079 -0.733 -6.152 1.00 0.07 C ATOM 1179 C GLN A 78 -1.215 -1.296 -5.579 1.00 0.06 C ATOM 1180 O GLN A 78 -1.377 -1.399 -4.378 1.00 0.07 O ATOM 1181 CB GLN A 78 1.204 -1.764 -6.038 1.00 0.08 C ATOM 1182 CG GLN A 78 2.556 -1.068 -6.234 1.00 0.12 C ATOM 1183 CD GLN A 78 3.629 -2.106 -6.573 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.719 -2.066 -6.039 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.364 -3.040 -7.445 1.00 1.03 N ATOM 0 H GLN A 78 0.627 0.267 -4.362 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.062 -0.479 -7.202 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.170 -2.249 -5.062 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.073 -2.545 -6.787 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.484 -0.332 -7.034 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.832 -0.528 -5.328 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.449 -3.074 -7.894 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.072 -3.736 -7.678 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.153 -1.628 -6.425 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.466 -2.150 -5.941 1.00 0.07 C ATOM 1196 C PHE A 79 -3.570 -3.636 -6.247 1.00 0.07 C ATOM 1197 O PHE A 79 -3.403 -4.067 -7.371 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.593 -1.392 -6.651 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.540 0.061 -6.235 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.486 0.874 -6.678 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.524 0.594 -5.389 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.413 2.223 -6.282 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.456 1.939 -4.982 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.401 2.754 -5.428 1.00 0.11 C ATOM 0 H PHE A 79 -2.066 -1.560 -7.439 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.548 -2.005 -4.864 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.484 -1.479 -7.732 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.560 -1.824 -6.392 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.726 0.463 -7.326 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.337 -0.031 -5.049 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.604 2.848 -6.631 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.213 2.345 -4.328 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.347 3.787 -5.116 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.848 -4.423 -5.240 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.975 -5.897 -5.426 1.00 0.08 C ATOM 1216 C PHE A 80 -5.349 -6.334 -4.937 1.00 0.11 C ATOM 1217 O PHE A 80 -5.981 -5.664 -4.141 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.896 -6.611 -4.607 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.551 -6.446 -5.275 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.187 -7.284 -6.347 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.656 -5.458 -4.821 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.071 -7.133 -6.964 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.600 -5.308 -5.438 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.964 -6.144 -6.508 1.00 0.14 C ATOM 0 H PHE A 80 -3.994 -4.101 -4.283 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.854 -6.150 -6.479 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.863 -6.202 -3.597 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.138 -7.670 -4.514 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.872 -8.042 -6.696 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.934 -4.815 -3.999 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.350 -7.775 -7.786 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.285 -4.550 -5.089 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.928 -6.028 -6.980 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.821 -7.452 -5.405 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.155 -7.940 -4.971 1.00 0.14 C ATOM 1236 C LYS A 81 -7.159 -9.456 -5.138 1.00 0.14 C ATOM 1237 O LYS A 81 -6.896 -9.963 -6.206 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.240 -7.293 -5.849 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.600 -7.327 -5.133 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.619 -6.481 -5.912 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.814 -6.157 -5.012 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.864 -5.461 -5.809 1.00 1.48 N ATOM 0 H LYS A 81 -5.337 -8.052 -6.073 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.358 -7.679 -3.933 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.967 -6.262 -6.075 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.309 -7.821 -6.800 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.953 -8.355 -5.052 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.496 -6.945 -4.118 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.152 -5.559 -6.259 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.954 -7.021 -6.797 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.217 -7.074 -4.581 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.496 -5.527 -4.181 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.772 -5.511 -5.305 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.596 -4.465 -5.941 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.957 -5.921 -6.737 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.419 -10.183 -4.088 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.403 -11.667 -4.194 1.00 0.20 C ATOM 1258 C LYS A 82 -6.044 -12.122 -4.740 1.00 0.20 C ATOM 1259 O LYS A 82 -5.948 -13.093 -5.464 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.527 -12.136 -5.131 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.859 -12.151 -4.373 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.970 -12.703 -5.277 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.126 -11.831 -6.531 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.911 -10.398 -6.184 1.00 1.67 N ATOM 0 H LYS A 82 -7.641 -9.814 -3.163 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.562 -12.103 -3.208 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.596 -11.472 -5.993 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.303 -13.132 -5.513 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.770 -12.764 -3.476 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.112 -11.143 -4.046 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.736 -13.728 -5.566 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.912 -12.734 -4.729 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.409 -12.141 -7.291 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.120 -11.966 -6.956 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -11.306 -9.796 -6.934 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -11.384 -10.184 -5.283 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -9.892 -10.212 -6.092 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.993 -11.432 -4.387 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.640 -11.830 -4.871 1.00 0.21 C ATOM 1280 C GLY A 83 -3.461 -11.433 -6.338 1.00 0.19 C ATOM 1281 O GLY A 83 -2.485 -11.794 -6.965 1.00 0.22 O ATOM 0 H GLY A 83 -5.013 -10.610 -3.784 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.873 -11.351 -4.262 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.509 -12.906 -4.760 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.398 -10.699 -6.895 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.285 -10.283 -8.337 1.00 0.17 C ATOM 1287 C GLN A 84 -4.085 -8.766 -8.443 1.00 0.16 C ATOM 1288 O GLN A 84 -4.643 -8.001 -7.686 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.577 -10.669 -9.070 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.572 -12.172 -9.364 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.638 -12.447 -10.542 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.923 -11.465 -11.020 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.557 -13.557 -11.030 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.236 -10.369 -6.416 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.428 -10.786 -8.785 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.443 -10.410 -8.461 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.661 -10.107 -10.000 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.242 -12.726 -8.485 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.581 -12.513 -9.596 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -5.117 -14.322 -10.654 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.929 -13.724 -11.816 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.300 -8.327 -9.397 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.068 -6.862 -9.570 1.00 0.17 C ATOM 1304 C LYS A 85 -4.192 -6.271 -10.421 1.00 0.16 C ATOM 1305 O LYS A 85 -4.688 -6.907 -11.331 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.732 -6.625 -10.275 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.540 -5.120 -10.489 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.088 -4.827 -10.887 1.00 0.30 C ATOM 1309 CE LYS A 85 0.222 -5.437 -12.263 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.608 -6.867 -12.099 1.00 1.70 N ATOM 0 H LYS A 85 -2.810 -8.923 -10.064 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.050 -6.385 -8.590 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.914 -7.027 -9.677 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.714 -7.147 -11.232 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.217 -4.766 -11.266 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.792 -4.580 -9.576 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.079 -3.750 -10.913 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.591 -5.236 -10.139 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.650 -5.357 -12.912 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.029 -4.884 -12.744 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.512 -7.040 -12.583 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.710 -7.085 -11.087 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.128 -7.475 -12.512 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.604 -5.059 -10.129 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.708 -4.417 -10.915 1.00 0.16 C ATOM 1326 C VAL A 86 -5.291 -3.009 -11.363 1.00 0.18 C ATOM 1327 O VAL A 86 -5.850 -2.459 -12.290 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.960 -4.332 -10.039 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.488 -5.742 -9.766 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.613 -3.658 -8.708 1.00 0.17 C ATOM 0 H VAL A 86 -4.222 -4.485 -9.378 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.917 -5.017 -11.801 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.721 -3.748 -10.556 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.380 -5.682 -9.142 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.738 -6.226 -10.710 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.723 -6.324 -9.251 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.506 -3.599 -8.086 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.850 -4.242 -8.193 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.235 -2.653 -8.897 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.316 -2.415 -10.719 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.886 -1.042 -11.132 1.00 0.18 C ATOM 1342 C GLY A 87 -2.702 -0.575 -10.277 1.00 0.10 C ATOM 1343 O GLY A 87 -2.302 -1.239 -9.340 1.00 0.08 O ATOM 0 H GLY A 87 -3.804 -2.816 -9.933 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.605 -1.043 -12.185 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.718 -0.346 -11.025 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.139 0.567 -10.593 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.981 1.079 -9.802 1.00 0.10 C ATOM 1349 C GLU A 88 -0.615 2.496 -10.253 1.00 0.10 C ATOM 1350 O GLU A 88 -0.872 2.888 -11.374 1.00 0.11 O ATOM 1351 CB GLU A 88 0.233 0.160 -9.990 1.00 0.17 C ATOM 1352 CG GLU A 88 0.616 0.058 -11.475 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.493 -0.646 -12.259 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.719 -1.817 -12.007 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -1.098 0.000 -13.100 1.00 1.94 O ATOM 0 H GLU A 88 -2.433 1.165 -11.365 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.264 1.098 -8.750 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.077 0.544 -9.418 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.008 -0.832 -9.599 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.784 1.054 -11.884 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.551 -0.492 -11.580 1.00 0.25 H new ATOM 1362 N PHE A 89 0.002 3.259 -9.388 1.00 0.09 N ATOM 1363 CA PHE A 89 0.408 4.640 -9.769 1.00 0.09 C ATOM 1364 C PHE A 89 1.343 5.229 -8.707 1.00 0.09 C ATOM 1365 O PHE A 89 1.074 5.173 -7.528 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.833 5.537 -9.968 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.418 5.996 -8.642 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.763 6.984 -7.873 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.635 5.448 -8.185 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.321 7.414 -6.656 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.192 5.883 -6.966 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.536 6.865 -6.202 1.00 0.11 C ATOM 0 H PHE A 89 0.241 2.984 -8.435 1.00 0.09 H new ATOM 0 HA PHE A 89 0.946 4.596 -10.716 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.560 6.407 -10.565 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.590 4.990 -10.529 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.167 7.409 -8.220 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.140 4.694 -8.770 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.817 8.167 -6.068 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.124 5.462 -6.618 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.964 7.198 -5.268 1.00 0.11 H new ATOM 1382 N SER A 90 2.445 5.800 -9.124 1.00 0.13 N ATOM 1383 CA SER A 90 3.412 6.407 -8.152 1.00 0.14 C ATOM 1384 C SER A 90 3.255 7.926 -8.177 1.00 0.14 C ATOM 1385 O SER A 90 2.255 8.451 -8.625 1.00 0.17 O ATOM 1386 CB SER A 90 4.838 6.042 -8.561 1.00 0.15 C ATOM 1387 OG SER A 90 5.267 6.916 -9.597 1.00 0.16 O ATOM 0 H SER A 90 2.720 5.873 -10.103 1.00 0.13 H new ATOM 0 HA SER A 90 3.212 6.030 -7.149 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.506 6.120 -7.703 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.877 5.008 -8.902 1.00 0.15 H new ATOM 0 HG SER A 90 5.907 7.564 -9.234 1.00 0.16 H new ATOM 1393 N GLY A 91 4.236 8.638 -7.696 1.00 0.12 N ATOM 1394 CA GLY A 91 4.142 10.126 -7.691 1.00 0.13 C ATOM 1395 C GLY A 91 3.302 10.571 -6.496 1.00 0.13 C ATOM 1396 O GLY A 91 2.200 10.101 -6.291 1.00 0.13 O ATOM 0 H GLY A 91 5.098 8.255 -7.307 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.138 10.565 -7.635 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.691 10.477 -8.619 1.00 0.13 H new ATOM 1400 N ALA A 92 3.814 11.464 -5.696 1.00 0.15 N ATOM 1401 CA ALA A 92 3.039 11.920 -4.506 1.00 0.17 C ATOM 1402 C ALA A 92 1.646 12.400 -4.931 1.00 0.15 C ATOM 1403 O ALA A 92 1.471 13.525 -5.358 1.00 0.16 O ATOM 1404 CB ALA A 92 3.790 13.066 -3.812 1.00 0.20 C ATOM 0 H ALA A 92 4.730 11.897 -5.812 1.00 0.15 H new ATOM 0 HA ALA A 92 2.928 11.084 -3.815 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.223 13.399 -2.943 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.772 12.717 -3.493 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.909 13.897 -4.507 1.00 0.20 H new ATOM 1410 N ASN A 93 0.651 11.562 -4.791 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.742 11.967 -5.156 1.00 0.13 C ATOM 1412 C ASN A 93 -1.706 11.384 -4.116 1.00 0.12 C ATOM 1413 O ASN A 93 -2.463 10.474 -4.387 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.085 11.439 -6.555 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.249 12.246 -7.135 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.089 12.831 -6.325 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.395 12.345 -8.338 1.00 1.15 N flip ATOM 0 H ASN A 93 0.743 10.610 -4.438 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.828 13.054 -5.167 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.215 11.515 -7.207 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.352 10.383 -6.502 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.738 11.888 -8.971 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.174 12.885 -8.714 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.662 11.903 -2.920 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.545 11.397 -1.827 1.00 0.20 C ATOM 1426 C LYS A 94 -4.022 11.593 -2.189 1.00 0.18 C ATOM 1427 O LYS A 94 -4.861 10.780 -1.855 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.225 12.165 -0.538 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.965 13.638 -0.884 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.948 14.493 0.389 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.675 14.214 1.197 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.523 14.352 0.320 1.00 1.19 N ATOM 0 H LYS A 94 -1.043 12.667 -2.648 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.365 10.331 -1.686 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.055 12.084 0.164 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.351 11.733 -0.050 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.013 13.733 -1.406 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.737 14.000 -1.562 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.997 15.550 0.127 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.827 14.274 0.995 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.606 14.909 2.034 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.714 13.210 1.619 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.354 14.584 0.901 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.691 13.457 -0.182 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.361 15.112 -0.372 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.352 12.662 -2.855 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.777 12.898 -3.214 1.00 0.20 C ATOM 1448 C GLU A 95 -6.242 11.821 -4.201 1.00 0.17 C ATOM 1449 O GLU A 95 -7.400 11.453 -4.234 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.907 14.277 -3.863 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.828 15.363 -2.787 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.010 16.736 -3.437 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.535 16.785 -4.536 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.619 17.716 -2.824 1.00 1.95 O ATOM 0 H GLU A 95 -3.699 13.381 -3.166 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.394 12.854 -2.317 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.114 14.420 -4.597 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.854 14.350 -4.398 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.598 15.200 -2.033 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.866 15.315 -2.276 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.347 11.318 -5.005 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.728 10.272 -5.995 1.00 0.14 C ATOM 1463 C LYS A 96 -6.077 8.971 -5.269 1.00 0.12 C ATOM 1464 O LYS A 96 -6.941 8.230 -5.695 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.564 10.034 -6.961 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.874 8.836 -7.870 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.882 8.788 -9.056 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.461 9.527 -10.274 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.171 10.758 -9.827 1.00 2.05 N ATOM 0 H LYS A 96 -4.363 11.588 -5.019 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.599 10.608 -6.557 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.394 10.925 -7.565 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.648 9.849 -6.401 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.811 7.911 -7.297 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.895 8.910 -8.244 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.935 9.242 -8.764 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.671 7.752 -9.319 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.661 9.789 -10.966 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.148 8.875 -10.813 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.546 11.263 -10.655 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.956 10.497 -9.196 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.508 11.375 -9.317 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.425 8.683 -4.171 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.748 7.424 -3.436 1.00 0.11 C ATOM 1485 C LEU A 97 -7.261 7.349 -3.231 1.00 0.11 C ATOM 1486 O LEU A 97 -7.849 6.286 -3.218 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.057 7.429 -2.065 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.587 7.019 -2.203 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.892 7.252 -0.856 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.481 5.527 -2.610 1.00 0.13 C ATOM 0 H LEU A 97 -4.692 9.258 -3.756 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.400 6.566 -4.011 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.123 8.422 -1.621 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.570 6.744 -1.390 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.106 7.615 -2.978 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.843 6.966 -0.933 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.962 8.306 -0.588 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.377 6.650 -0.088 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.431 5.249 -2.704 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.953 4.907 -1.847 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.984 5.374 -3.565 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.890 8.477 -3.065 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.365 8.482 -2.851 1.00 0.14 C ATOM 1504 C GLU A 98 -10.073 8.018 -4.126 1.00 0.13 C ATOM 1505 O GLU A 98 -10.808 7.051 -4.127 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.825 9.901 -2.506 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.276 9.862 -2.020 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.804 11.290 -1.879 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.365 11.977 -0.971 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.640 11.673 -2.681 1.00 2.05 O ATOM 0 H GLU A 98 -7.448 9.396 -3.068 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.612 7.806 -2.032 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.183 10.326 -1.734 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.740 10.545 -3.381 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.892 9.303 -2.724 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.337 9.344 -1.063 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.868 8.715 -5.208 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.534 8.338 -6.487 1.00 0.14 C ATOM 1519 C ALA A 99 -10.147 6.915 -6.900 1.00 0.12 C ATOM 1520 O ALA A 99 -10.965 6.168 -7.388 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.109 9.314 -7.585 1.00 0.15 C ATOM 0 H ALA A 99 -9.264 9.535 -5.262 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.614 8.380 -6.344 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.594 9.041 -8.522 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.402 10.326 -7.306 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.027 9.271 -7.711 1.00 0.15 H new ATOM 1527 N THR A 100 -8.908 6.540 -6.727 1.00 0.11 N ATOM 1528 CA THR A 100 -8.475 5.168 -7.140 1.00 0.11 C ATOM 1529 C THR A 100 -9.173 4.107 -6.282 1.00 0.10 C ATOM 1530 O THR A 100 -9.690 3.132 -6.789 1.00 0.11 O ATOM 1531 CB THR A 100 -6.959 5.045 -6.972 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.327 6.167 -7.572 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.469 3.761 -7.646 1.00 0.12 C ATOM 0 H THR A 100 -8.176 7.121 -6.319 1.00 0.11 H new ATOM 0 HA THR A 100 -8.747 5.009 -8.184 1.00 0.11 H new ATOM 0 HB THR A 100 -6.713 5.011 -5.911 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.455 6.956 -7.005 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.389 3.676 -7.525 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.955 2.900 -7.186 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.714 3.791 -8.708 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.192 4.286 -4.994 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.859 3.283 -4.110 1.00 0.11 C ATOM 1543 C ILE A 101 -11.343 3.194 -4.488 1.00 0.13 C ATOM 1544 O ILE A 101 -11.867 2.124 -4.730 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.703 3.732 -2.642 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.259 3.444 -2.177 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.694 2.975 -1.743 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.911 4.272 -0.929 1.00 0.18 C ATOM 0 H ILE A 101 -8.776 5.082 -4.511 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.403 2.301 -4.233 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.911 4.799 -2.570 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.148 2.382 -1.957 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.560 3.678 -2.980 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.572 3.302 -0.711 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.713 3.181 -2.071 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.501 1.904 -1.809 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.889 4.052 -0.620 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.000 5.333 -1.160 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.597 4.018 -0.121 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.021 4.305 -4.539 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.468 4.282 -4.897 1.00 0.17 C ATOM 1562 C ASN A 102 -13.642 3.711 -6.308 1.00 0.18 C ATOM 1563 O ASN A 102 -14.728 3.335 -6.706 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.018 5.709 -4.855 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.536 5.678 -5.037 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.029 5.258 -6.065 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.305 6.108 -4.074 1.00 1.03 N ATOM 0 H ASN A 102 -11.636 5.230 -4.348 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.009 3.656 -4.187 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.765 6.179 -3.905 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.559 6.310 -5.640 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.319 6.091 -4.185 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.892 6.461 -3.211 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.586 3.655 -7.068 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.689 3.124 -8.459 1.00 0.18 C ATOM 1576 C GLU A 103 -12.767 1.593 -8.451 1.00 0.19 C ATOM 1577 O GLU A 103 -13.713 1.005 -8.934 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.449 3.553 -9.253 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.722 3.419 -10.753 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.509 3.920 -11.540 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.905 4.887 -11.106 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.206 3.327 -12.563 1.00 2.01 O ATOM 0 H GLU A 103 -11.652 3.954 -6.787 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.594 3.522 -8.918 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.190 4.584 -9.012 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.595 2.936 -8.973 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.927 2.378 -11.004 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.608 3.993 -11.025 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.754 0.951 -7.938 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.722 -0.544 -7.928 1.00 0.19 C ATOM 1591 C LEU A 104 -12.311 -1.092 -6.624 1.00 0.19 C ATOM 1592 O LEU A 104 -12.080 -2.230 -6.266 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.266 -0.995 -8.069 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.632 -0.316 -9.295 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.135 -0.630 -9.338 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.304 -0.823 -10.582 1.00 0.35 C ATOM 0 H LEU A 104 -10.938 1.400 -7.521 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.321 -0.926 -8.755 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.707 -0.739 -7.169 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.219 -2.079 -8.176 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.775 0.762 -9.220 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.687 -0.148 -10.207 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.659 -0.257 -8.431 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.991 -1.708 -9.407 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.849 -0.337 -11.445 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.171 -1.902 -10.661 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.368 -0.589 -10.553 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.075 -0.307 -5.916 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.675 -0.814 -4.648 1.00 0.22 C ATOM 1610 C VAL A 105 -14.671 -1.931 -4.969 1.00 0.26 C ATOM 1611 O VAL A 105 -14.683 -2.913 -4.245 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.400 0.323 -3.924 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.469 0.918 -4.842 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.061 -0.222 -2.655 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.404 -1.784 -5.933 1.00 1.18 O ATOM 0 H VAL A 105 -13.309 0.656 -6.157 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.884 -1.201 -4.005 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.682 1.099 -3.657 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.984 1.727 -4.324 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.998 1.307 -5.745 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.188 0.145 -5.112 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.578 0.586 -2.138 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.778 -0.998 -2.923 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.298 -0.643 -2.000 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.913 3.902 6.047 1.00 0.00 N ATOM 1627 CA PHE B 1 22.136 2.810 6.704 1.00 0.00 C ATOM 1628 C PHE B 1 21.518 1.910 5.624 1.00 0.00 C ATOM 1629 O PHE B 1 21.790 0.728 5.563 1.00 0.00 O ATOM 1630 CB PHE B 1 21.026 3.413 7.607 1.00 0.00 C ATOM 1631 CG PHE B 1 20.835 4.879 7.288 1.00 0.00 C ATOM 1632 CD1 PHE B 1 19.940 5.271 6.273 1.00 0.00 C ATOM 1633 CD2 PHE B 1 21.556 5.852 8.004 1.00 0.00 C ATOM 1634 CE1 PHE B 1 19.769 6.636 5.976 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.385 7.217 7.706 1.00 0.00 C ATOM 1636 CZ PHE B 1 20.491 7.610 6.692 1.00 0.00 C ATOM 0 H1 PHE B 1 23.930 3.696 6.118 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.642 3.967 5.045 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.710 4.806 6.520 1.00 0.00 H new ATOM 0 HA PHE B 1 22.801 2.215 7.330 1.00 0.00 H new ATOM 0 HB2 PHE B 1 20.090 2.875 7.455 1.00 0.00 H new ATOM 0 HB3 PHE B 1 21.295 3.293 8.656 1.00 0.00 H new ATOM 0 HD1 PHE B 1 19.386 4.525 5.723 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.241 5.551 8.783 1.00 0.00 H new ATOM 0 HE1 PHE B 1 19.083 6.937 5.198 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.940 7.963 8.255 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.359 8.657 6.464 1.00 0.00 H new ATOM 1648 N ARG B 2 20.690 2.457 4.776 1.00 0.00 N ATOM 1649 CA ARG B 2 20.065 1.623 3.712 1.00 0.00 C ATOM 1650 C ARG B 2 19.355 2.523 2.689 1.00 0.00 C ATOM 1651 O ARG B 2 18.213 2.911 2.856 1.00 0.00 O ATOM 1652 CB ARG B 2 19.073 0.634 4.350 1.00 0.00 C ATOM 1653 CG ARG B 2 18.057 1.375 5.245 1.00 0.00 C ATOM 1654 CD ARG B 2 17.500 0.421 6.307 1.00 0.00 C ATOM 1655 NE ARG B 2 16.606 1.177 7.230 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.803 0.534 8.034 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.784 -0.771 8.033 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.020 1.197 8.842 1.00 0.00 N ATOM 0 H ARG B 2 20.421 3.441 4.774 1.00 0.00 H new ATOM 0 HA ARG B 2 20.837 1.057 3.191 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.545 0.087 3.569 1.00 0.00 H new ATOM 0 HB3 ARG B 2 19.617 -0.102 4.942 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.537 2.227 5.726 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.243 1.769 4.636 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.948 -0.389 5.831 1.00 0.00 H new ATOM 0 HD3 ARG B 2 18.317 -0.035 6.866 1.00 0.00 H new ATOM 0 HE ARG B 2 16.622 2.197 7.233 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.397 -1.289 7.404 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.156 -1.272 8.662 1.00 0.00 H new ATOM 0 HH21 ARG B 2 15.036 2.217 8.845 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.393 0.695 9.470 1.00 0.00 H new ATOM 1672 N PHE B 3 20.040 2.857 1.623 1.00 0.00 N ATOM 1673 CA PHE B 3 19.445 3.732 0.565 1.00 0.00 C ATOM 1674 C PHE B 3 19.022 2.868 -0.629 1.00 0.00 C ATOM 1675 O PHE B 3 19.327 1.695 -0.698 1.00 0.00 O ATOM 1676 CB PHE B 3 20.503 4.741 0.102 1.00 0.00 C ATOM 1677 CG PHE B 3 20.592 5.882 1.091 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.172 5.675 2.358 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.095 7.151 0.744 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.257 6.740 3.275 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.180 8.217 1.661 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.762 8.011 2.925 1.00 0.00 C ATOM 0 H PHE B 3 20.997 2.557 1.439 1.00 0.00 H new ATOM 0 HA PHE B 3 18.577 4.256 0.965 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.472 4.250 0.012 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.246 5.123 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.551 4.700 2.626 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.648 7.308 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.702 6.582 4.246 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.799 9.191 1.394 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.829 8.828 3.628 1.00 0.00 H new ATOM 1692 N ARG B 4 18.332 3.448 -1.578 1.00 0.00 N ATOM 1693 CA ARG B 4 17.902 2.671 -2.779 1.00 0.00 C ATOM 1694 C ARG B 4 17.803 3.634 -3.982 1.00 0.00 C ATOM 1695 O ARG B 4 18.815 4.127 -4.443 1.00 0.00 O ATOM 1696 CB ARG B 4 16.559 1.978 -2.479 1.00 0.00 C ATOM 1697 CG ARG B 4 16.402 0.711 -3.347 1.00 0.00 C ATOM 1698 CD ARG B 4 17.075 -0.488 -2.666 1.00 0.00 C ATOM 1699 NE ARG B 4 17.186 -1.629 -3.637 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.136 -2.125 -4.238 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.932 -1.775 -3.872 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.289 -3.024 -5.172 1.00 0.00 N ATOM 0 H ARG B 4 18.048 4.428 -1.573 1.00 0.00 H new ATOM 0 HA ARG B 4 18.627 1.895 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.508 1.712 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.736 2.665 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.345 0.500 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.846 0.877 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.065 -0.206 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.496 -0.795 -1.795 1.00 0.00 H new ATOM 0 HE ARG B 4 18.104 -2.027 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.804 -1.109 -3.110 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.120 -2.168 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.225 -3.337 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.473 -3.414 -5.643 1.00 0.00 H new ATOM 1716 N TYR B 5 16.618 3.928 -4.493 1.00 0.00 N ATOM 1717 CA TYR B 5 16.505 4.878 -5.658 1.00 0.00 C ATOM 1718 C TYR B 5 15.886 6.209 -5.205 1.00 0.00 C ATOM 1719 O TYR B 5 15.761 6.483 -4.028 1.00 0.00 O ATOM 1720 CB TYR B 5 15.681 4.248 -6.799 1.00 0.00 C ATOM 1721 CG TYR B 5 14.539 3.429 -6.263 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.731 2.069 -5.960 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.275 4.015 -6.098 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.658 1.296 -5.479 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.202 3.244 -5.622 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.392 1.885 -5.308 1.00 0.00 C ATOM 1727 OH TYR B 5 11.336 1.132 -4.837 1.00 0.00 O ATOM 0 H TYR B 5 15.732 3.553 -4.155 1.00 0.00 H new ATOM 0 HA TYR B 5 17.507 5.078 -6.039 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.294 5.034 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.326 3.618 -7.411 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.703 1.618 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.127 5.058 -6.337 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.806 0.253 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.229 3.695 -5.497 1.00 0.00 H new ATOM 0 HH TYR B 5 11.662 0.253 -4.553 1.00 0.00 H new ATOM 1737 N VAL B 6 15.558 7.060 -6.142 1.00 0.00 N ATOM 1738 CA VAL B 6 15.013 8.412 -5.800 1.00 0.00 C ATOM 1739 C VAL B 6 13.590 8.353 -5.234 1.00 0.00 C ATOM 1740 O VAL B 6 12.771 7.545 -5.633 1.00 0.00 O ATOM 1741 CB VAL B 6 14.995 9.274 -7.070 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.936 10.754 -6.691 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.259 9.009 -7.883 1.00 0.00 C ATOM 0 H VAL B 6 15.645 6.876 -7.141 1.00 0.00 H new ATOM 0 HA VAL B 6 15.658 8.837 -5.031 1.00 0.00 H new ATOM 0 HB VAL B 6 14.117 9.019 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.923 11.361 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.032 10.946 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.810 11.012 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.246 9.621 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.135 9.261 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.299 7.956 -8.160 1.00 0.00 H new ATOM 1753 N CYS B 7 13.288 9.255 -4.328 1.00 0.00 N ATOM 1754 CA CYS B 7 11.916 9.331 -3.743 1.00 0.00 C ATOM 1755 C CYS B 7 11.168 10.476 -4.423 1.00 0.00 C ATOM 1756 O CYS B 7 11.266 11.617 -4.015 1.00 0.00 O ATOM 1757 CB CYS B 7 11.991 9.606 -2.236 1.00 0.00 C ATOM 1758 SG CYS B 7 13.231 8.537 -1.464 1.00 0.00 S ATOM 0 H CYS B 7 13.944 9.948 -3.967 1.00 0.00 H new ATOM 0 HA CYS B 7 11.400 8.384 -3.900 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.244 10.652 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.017 9.433 -1.779 1.00 0.00 H new ATOM 1763 N GLU B 8 10.431 10.195 -5.463 1.00 0.00 N ATOM 1764 CA GLU B 8 9.699 11.290 -6.163 1.00 0.00 C ATOM 1765 C GLU B 8 8.372 11.572 -5.457 1.00 0.00 C ATOM 1766 O GLU B 8 7.329 11.683 -6.079 1.00 0.00 O ATOM 1767 CB GLU B 8 9.439 10.898 -7.621 1.00 0.00 C ATOM 1768 CG GLU B 8 8.971 9.444 -7.692 1.00 0.00 C ATOM 1769 CD GLU B 8 8.359 9.176 -9.069 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.994 9.516 -10.053 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.267 8.635 -9.115 1.00 0.00 O ATOM 0 H GLU B 8 10.304 9.262 -5.856 1.00 0.00 H new ATOM 0 HA GLU B 8 10.311 12.192 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.684 11.554 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.348 11.026 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.810 8.771 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.237 9.248 -6.911 1.00 0.00 H new ATOM 1778 N GLY B 9 8.408 11.723 -4.165 1.00 0.00 N ATOM 1779 CA GLY B 9 7.158 12.042 -3.427 1.00 0.00 C ATOM 1780 C GLY B 9 6.854 13.533 -3.682 1.00 0.00 C ATOM 1781 O GLY B 9 6.809 13.930 -4.829 1.00 0.00 O ATOM 0 H GLY B 9 9.246 11.640 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.335 11.416 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.279 11.850 -2.361 1.00 0.00 H new ATOM 1785 N PRO B 10 6.678 14.346 -2.651 1.00 0.00 N ATOM 1786 CA PRO B 10 6.420 15.782 -2.875 1.00 0.00 C ATOM 1787 C PRO B 10 7.669 16.436 -3.491 1.00 0.00 C ATOM 1788 O PRO B 10 7.862 17.634 -3.410 1.00 0.00 O ATOM 1789 CB PRO B 10 6.113 16.359 -1.473 1.00 0.00 C ATOM 1790 CG PRO B 10 6.353 15.220 -0.440 1.00 0.00 C ATOM 1791 CD PRO B 10 6.705 13.939 -1.229 1.00 0.00 C ATOM 0 HA PRO B 10 5.595 15.965 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.756 17.213 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.084 16.714 -1.421 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.162 15.485 0.241 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.463 15.062 0.169 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.686 13.558 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.986 13.144 -1.032 1.00 0.00 H new ATOM 1799 N SER B 11 8.515 15.649 -4.100 1.00 0.00 N ATOM 1800 CA SER B 11 9.757 16.191 -4.723 1.00 0.00 C ATOM 1801 C SER B 11 9.494 16.491 -6.203 1.00 0.00 C ATOM 1802 O SER B 11 10.327 17.045 -6.893 1.00 0.00 O ATOM 1803 CB SER B 11 10.874 15.147 -4.599 1.00 0.00 C ATOM 1804 OG SER B 11 12.134 15.784 -4.768 1.00 0.00 O ATOM 0 H SER B 11 8.396 14.640 -4.193 1.00 0.00 H new ATOM 0 HA SER B 11 10.056 17.109 -4.217 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.827 14.661 -3.624 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.744 14.368 -5.350 1.00 0.00 H new ATOM 0 HG SER B 11 12.064 16.466 -5.468 1.00 0.00 H new ATOM 1810 N HIS B 12 8.342 16.125 -6.697 1.00 0.00 N ATOM 1811 CA HIS B 12 8.027 16.384 -8.131 1.00 0.00 C ATOM 1812 C HIS B 12 6.519 16.246 -8.353 1.00 0.00 C ATOM 1813 O HIS B 12 5.899 15.299 -7.911 1.00 0.00 O ATOM 1814 CB HIS B 12 8.777 15.368 -9.001 1.00 0.00 C ATOM 1815 CG HIS B 12 8.324 15.487 -10.433 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.356 16.688 -11.123 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.826 14.560 -11.315 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.891 16.454 -12.365 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.554 15.173 -12.535 1.00 0.00 N ATOM 0 H HIS B 12 7.605 15.658 -6.169 1.00 0.00 H new ATOM 0 HA HIS B 12 8.337 17.393 -8.403 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.851 15.542 -8.934 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.594 14.358 -8.635 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.669 13.514 -11.096 1.00 0.00 H new ATOM 0 HE1 HIS B 12 7.801 17.210 -13.131 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.178 14.737 -13.377 1.00 0.00 H new ATOM 1827 N GLY B 13 5.922 17.185 -9.037 1.00 0.00 N ATOM 1828 CA GLY B 13 4.455 17.108 -9.288 1.00 0.00 C ATOM 1829 C GLY B 13 3.941 18.474 -9.745 1.00 0.00 C ATOM 1830 O GLY B 13 2.747 18.594 -9.964 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.751 19.378 -9.870 1.00 0.00 O ATOM 0 H GLY B 13 6.387 18.002 -9.433 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.245 16.356 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY B 13 3.936 16.798 -8.381 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.412 -10.491 -1.243 1.00 0.24 O HETATM 1839 O HOH A 107 8.479 -3.503 4.661 1.00 0.40 O HETATM 1842 O HOH A 108 12.583 1.642 1.854 1.00 0.32 O HETATM 1845 O HOH A 109 -8.894 -8.581 0.004 1.00 0.26 O HETATM 1848 O HOH A 110 -7.422 -12.849 0.573 1.00 0.21 O HETATM 1851 O HOH A 111 -12.086 -2.473 0.116 1.00 0.37 O