USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= -0.0645 K(o=0.38,f=-0.17) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -125:sc= 0.441 (180deg=0) USER MOD Set 2.1: A 69 CYS SG : rot -98:sc= -0.596 USER MOD Set 2.2: A 78 GLN : amide:sc= -1.36! C(o=-2!,f=-8.7!) USER MOD Set 3.1: A 32 CYS SG : rot 156:sc= 0.421 USER MOD Set 3.2: A 35 CYS SG : rot 85:sc= -0.998! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.024 (180deg=-0.485) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.265) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.49) USER MOD Single : A 28 SER OG : rot -116:sc= 0.274 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.132 (180deg=-0.627) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.121 K(o=0.12,f=-4.6!) USER MOD Single : A 44 SER OG : rot -162:sc= -0.376 USER MOD Single : A 46 SER OG : rot 60:sc= -1.18 USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= -0.12 (180deg=-0.751) USER MOD Single : A 49 TYR OH : rot -120:sc= 0.203 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 51 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.061) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.578 USER MOD Single : A 63 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.018) USER MOD Single : A 67 SER OG : rot 87:sc= 0.242 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 76 THR OG1 : rot 112:sc= 0.472 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 0.496 (180deg=-0.828!) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= 0.632 (180deg=0.439) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0.129 (180deg=0.12) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= 0.0819 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 84:sc= -0.174 USER MOD Single : A 102 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.148 -1.841 11.355 1.00 2.23 N ATOM 2 CA MET A 1 -5.690 -0.614 10.641 1.00 1.23 C ATOM 3 C MET A 1 -4.603 -0.988 9.632 1.00 0.78 C ATOM 4 O MET A 1 -4.357 -2.152 9.382 1.00 0.81 O ATOM 5 CB MET A 1 -5.129 0.408 11.629 1.00 2.76 C ATOM 6 CG MET A 1 -6.073 0.516 12.829 1.00 2.93 C ATOM 7 SD MET A 1 -5.972 2.017 13.835 1.00 4.75 S ATOM 8 CE MET A 1 -4.589 1.498 14.881 1.00 5.13 C ATOM 0 H1 MET A 1 -7.124 -1.705 11.688 1.00 2.23 H new ATOM 0 H2 MET A 1 -6.113 -2.653 10.706 1.00 2.23 H new ATOM 0 H3 MET A 1 -5.526 -2.021 12.169 1.00 2.23 H new ATOM 0 HA MET A 1 -6.543 -0.173 10.126 1.00 1.23 H new ATOM 0 HB2 MET A 1 -4.135 0.106 11.959 1.00 2.76 H new ATOM 0 HB3 MET A 1 -5.023 1.379 11.146 1.00 2.76 H new ATOM 0 HG2 MET A 1 -7.095 0.424 12.463 1.00 2.93 H new ATOM 0 HG3 MET A 1 -5.890 -0.339 13.480 1.00 2.93 H new ATOM 0 HE1 MET A 1 -4.353 2.290 15.592 1.00 5.13 H new ATOM 0 HE2 MET A 1 -4.863 0.593 15.424 1.00 5.13 H new ATOM 0 HE3 MET A 1 -3.717 1.298 14.258 1.00 5.13 H new ATOM 20 N VAL A 2 -3.971 0.008 9.072 1.00 0.51 N ATOM 21 CA VAL A 2 -2.895 -0.276 8.079 1.00 0.21 C ATOM 22 C VAL A 2 -1.965 -1.373 8.615 1.00 0.26 C ATOM 23 O VAL A 2 -1.735 -1.462 9.806 1.00 0.38 O ATOM 24 CB VAL A 2 -2.094 0.999 7.833 1.00 0.60 C ATOM 25 CG1 VAL A 2 -1.094 0.752 6.703 1.00 0.85 C ATOM 26 CG2 VAL A 2 -3.049 2.120 7.423 1.00 0.55 C ATOM 0 H VAL A 2 -4.150 0.995 9.256 1.00 0.51 H new ATOM 0 HA VAL A 2 -3.343 -0.616 7.145 1.00 0.21 H new ATOM 0 HB VAL A 2 -1.562 1.282 8.741 1.00 0.60 H new ATOM 0 HG11 VAL A 2 -0.518 1.660 6.522 1.00 0.85 H new ATOM 0 HG12 VAL A 2 -0.419 -0.056 6.985 1.00 0.85 H new ATOM 0 HG13 VAL A 2 -1.631 0.476 5.796 1.00 0.85 H new ATOM 0 HG21 VAL A 2 -2.482 3.034 7.246 1.00 0.55 H new ATOM 0 HG22 VAL A 2 -3.574 1.836 6.511 1.00 0.55 H new ATOM 0 HG23 VAL A 2 -3.773 2.291 8.220 1.00 0.55 H new ATOM 36 N LYS A 3 -1.449 -2.178 7.722 1.00 0.39 N ATOM 37 CA LYS A 3 -0.534 -3.280 8.153 1.00 0.54 C ATOM 38 C LYS A 3 0.911 -2.958 7.757 1.00 0.35 C ATOM 39 O LYS A 3 1.183 -2.607 6.625 1.00 0.35 O ATOM 40 CB LYS A 3 -0.968 -4.579 7.475 1.00 0.74 C ATOM 41 CG LYS A 3 -0.579 -5.764 8.361 1.00 0.87 C ATOM 42 CD LYS A 3 -0.453 -7.018 7.492 1.00 1.76 C ATOM 43 CE LYS A 3 -0.108 -8.214 8.382 1.00 1.51 C ATOM 44 NZ LYS A 3 -1.334 -8.998 8.701 1.00 1.70 N ATOM 0 H LYS A 3 -1.620 -2.122 6.718 1.00 0.39 H new ATOM 0 HA LYS A 3 -0.586 -3.386 9.237 1.00 0.54 H new ATOM 0 HB2 LYS A 3 -2.045 -4.573 7.307 1.00 0.74 H new ATOM 0 HB3 LYS A 3 -0.494 -4.669 6.498 1.00 0.74 H new ATOM 0 HG2 LYS A 3 0.365 -5.561 8.868 1.00 0.87 H new ATOM 0 HG3 LYS A 3 -1.330 -5.917 9.136 1.00 0.87 H new ATOM 0 HD2 LYS A 3 -1.387 -7.202 6.961 1.00 1.76 H new ATOM 0 HD3 LYS A 3 0.321 -6.876 6.737 1.00 1.76 H new ATOM 0 HE2 LYS A 3 0.618 -8.852 7.878 1.00 1.51 H new ATOM 0 HE3 LYS A 3 0.359 -7.866 9.304 1.00 1.51 H new ATOM 0 HZ1 LYS A 3 -1.082 -9.806 9.306 1.00 1.70 H new ATOM 0 HZ2 LYS A 3 -2.014 -8.390 9.201 1.00 1.70 H new ATOM 0 HZ3 LYS A 3 -1.763 -9.346 7.820 1.00 1.70 H new ATOM 58 N GLN A 4 1.807 -3.088 8.698 1.00 0.27 N ATOM 59 CA GLN A 4 3.239 -2.797 8.392 1.00 0.22 C ATOM 60 C GLN A 4 3.979 -4.095 8.057 1.00 0.15 C ATOM 61 O GLN A 4 3.884 -5.069 8.778 1.00 0.14 O ATOM 62 CB GLN A 4 3.888 -2.142 9.611 1.00 0.43 C ATOM 63 CG GLN A 4 5.342 -1.799 9.283 1.00 0.52 C ATOM 64 CD GLN A 4 5.924 -0.934 10.402 1.00 0.91 C ATOM 65 OE1 GLN A 4 5.743 -1.208 11.572 1.00 2.07 O ATOM 66 NE2 GLN A 4 6.628 0.118 10.089 1.00 0.38 N ATOM 0 H GLN A 4 1.614 -3.380 9.656 1.00 0.27 H new ATOM 0 HA GLN A 4 3.295 -2.126 7.535 1.00 0.22 H new ATOM 0 HB2 GLN A 4 3.342 -1.240 9.888 1.00 0.43 H new ATOM 0 HB3 GLN A 4 3.845 -2.816 10.467 1.00 0.43 H new ATOM 0 HG2 GLN A 4 5.927 -2.712 9.173 1.00 0.52 H new ATOM 0 HG3 GLN A 4 5.397 -1.269 8.332 1.00 0.52 H new ATOM 0 HE21 GLN A 4 6.784 0.354 9.109 1.00 0.38 H new ATOM 0 HE22 GLN A 4 7.023 0.705 10.824 1.00 0.38 H new ATOM 75 N ILE A 5 4.700 -4.084 6.969 1.00 0.13 N ATOM 76 CA ILE A 5 5.449 -5.316 6.576 1.00 0.14 C ATOM 77 C ILE A 5 6.874 -5.264 7.137 1.00 0.21 C ATOM 78 O ILE A 5 7.319 -4.240 7.615 1.00 0.19 O ATOM 79 CB ILE A 5 5.507 -5.398 5.044 1.00 0.17 C ATOM 80 CG1 ILE A 5 4.110 -5.106 4.469 1.00 0.17 C ATOM 81 CG2 ILE A 5 5.981 -6.802 4.598 1.00 0.16 C ATOM 82 CD1 ILE A 5 3.076 -6.031 5.123 1.00 0.19 C ATOM 0 H ILE A 5 4.804 -3.287 6.341 1.00 0.13 H new ATOM 0 HA ILE A 5 4.941 -6.193 6.978 1.00 0.14 H new ATOM 0 HB ILE A 5 6.217 -4.660 4.671 1.00 0.17 H new ATOM 0 HG12 ILE A 5 3.844 -4.064 4.647 1.00 0.17 H new ATOM 0 HG13 ILE A 5 4.113 -5.254 3.389 1.00 0.17 H new ATOM 0 HG21 ILE A 5 6.017 -6.845 3.509 1.00 0.16 H new ATOM 0 HG22 ILE A 5 6.975 -6.996 5.002 1.00 0.16 H new ATOM 0 HG23 ILE A 5 5.286 -7.555 4.968 1.00 0.16 H new ATOM 0 HD11 ILE A 5 2.088 -5.820 4.713 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.338 -7.070 4.922 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.065 -5.861 6.200 1.00 0.19 H new ATOM 94 N GLU A 6 7.556 -6.372 7.068 1.00 0.32 N ATOM 95 CA GLU A 6 8.956 -6.405 7.587 1.00 0.39 C ATOM 96 C GLU A 6 9.751 -7.526 6.906 1.00 0.67 C ATOM 97 O GLU A 6 10.832 -7.872 7.337 1.00 1.48 O ATOM 98 CB GLU A 6 8.926 -6.649 9.095 1.00 0.79 C ATOM 99 CG GLU A 6 8.051 -7.868 9.390 1.00 0.93 C ATOM 100 CD GLU A 6 8.139 -8.204 10.880 1.00 1.06 C ATOM 101 OE1 GLU A 6 7.327 -7.655 11.607 1.00 1.81 O ATOM 102 OE2 GLU A 6 9.012 -8.990 11.207 1.00 1.11 O ATOM 0 H GLU A 6 7.211 -7.250 6.679 1.00 0.32 H new ATOM 0 HA GLU A 6 9.438 -5.451 7.372 1.00 0.39 H new ATOM 0 HB2 GLU A 6 9.937 -6.813 9.469 1.00 0.79 H new ATOM 0 HB3 GLU A 6 8.534 -5.772 9.610 1.00 0.79 H new ATOM 0 HG2 GLU A 6 7.017 -7.664 9.112 1.00 0.93 H new ATOM 0 HG3 GLU A 6 8.380 -8.719 8.793 1.00 0.93 H new ATOM 109 N SER A 7 9.197 -8.068 5.852 1.00 0.34 N ATOM 110 CA SER A 7 9.905 -9.169 5.133 1.00 0.48 C ATOM 111 C SER A 7 9.064 -9.646 3.945 1.00 0.38 C ATOM 112 O SER A 7 7.876 -9.400 3.884 1.00 0.35 O ATOM 113 CB SER A 7 10.128 -10.335 6.096 1.00 0.87 C ATOM 114 OG SER A 7 8.924 -10.402 6.845 1.00 1.23 O ATOM 0 H SER A 7 8.294 -7.799 5.461 1.00 0.34 H new ATOM 0 HA SER A 7 10.863 -8.801 4.766 1.00 0.48 H new ATOM 0 HB2 SER A 7 10.315 -11.265 5.559 1.00 0.87 H new ATOM 0 HB3 SER A 7 10.989 -10.160 6.741 1.00 0.87 H new ATOM 0 HG SER A 7 8.983 -11.134 7.494 1.00 1.23 H new ATOM 120 N LYS A 8 9.699 -10.321 3.024 1.00 0.36 N ATOM 121 CA LYS A 8 8.944 -10.825 1.840 1.00 0.33 C ATOM 122 C LYS A 8 7.993 -11.938 2.266 1.00 0.23 C ATOM 123 O LYS A 8 6.825 -11.933 1.929 1.00 0.25 O ATOM 124 CB LYS A 8 9.930 -11.362 0.804 1.00 0.39 C ATOM 125 CG LYS A 8 9.153 -11.850 -0.419 1.00 0.40 C ATOM 126 CD LYS A 8 10.108 -11.958 -1.610 1.00 1.05 C ATOM 127 CE LYS A 8 9.370 -12.598 -2.788 1.00 1.23 C ATOM 128 NZ LYS A 8 8.256 -11.720 -3.245 1.00 2.97 N ATOM 0 H LYS A 8 10.694 -10.543 3.039 1.00 0.36 H new ATOM 0 HA LYS A 8 8.365 -10.009 1.407 1.00 0.33 H new ATOM 0 HB2 LYS A 8 10.634 -10.582 0.515 1.00 0.39 H new ATOM 0 HB3 LYS A 8 10.515 -12.178 1.229 1.00 0.39 H new ATOM 0 HG2 LYS A 8 8.698 -12.819 -0.213 1.00 0.40 H new ATOM 0 HG3 LYS A 8 8.342 -11.159 -0.649 1.00 0.40 H new ATOM 0 HD2 LYS A 8 10.475 -10.970 -1.888 1.00 1.05 H new ATOM 0 HD3 LYS A 8 10.978 -12.557 -1.341 1.00 1.05 H new ATOM 0 HE2 LYS A 8 10.065 -12.771 -3.610 1.00 1.23 H new ATOM 0 HE3 LYS A 8 8.977 -13.571 -2.493 1.00 1.23 H new ATOM 0 HZ1 LYS A 8 7.909 -12.052 -4.167 1.00 2.97 H new ATOM 0 HZ2 LYS A 8 7.482 -11.752 -2.551 1.00 2.97 H new ATOM 0 HZ3 LYS A 8 8.599 -10.742 -3.335 1.00 2.97 H new ATOM 142 N THR A 9 8.517 -12.867 3.001 1.00 0.15 N ATOM 143 CA THR A 9 7.669 -13.992 3.475 1.00 0.07 C ATOM 144 C THR A 9 6.385 -13.439 4.080 1.00 0.07 C ATOM 145 O THR A 9 5.333 -14.039 3.987 1.00 0.09 O ATOM 146 CB THR A 9 8.435 -14.787 4.534 1.00 0.08 C ATOM 147 OG1 THR A 9 9.627 -15.208 3.880 1.00 0.10 O ATOM 148 CG2 THR A 9 7.703 -16.071 4.909 1.00 0.17 C ATOM 0 H THR A 9 9.493 -12.900 3.296 1.00 0.15 H new ATOM 0 HA THR A 9 7.421 -14.644 2.638 1.00 0.07 H new ATOM 0 HB THR A 9 8.576 -14.178 5.427 1.00 0.08 H new ATOM 0 HG1 THR A 9 10.176 -15.728 4.503 1.00 0.10 H new ATOM 0 HG21 THR A 9 8.276 -16.610 5.663 1.00 0.17 H new ATOM 0 HG22 THR A 9 6.719 -15.825 5.308 1.00 0.17 H new ATOM 0 HG23 THR A 9 7.590 -16.697 4.024 1.00 0.17 H new ATOM 156 N ALA A 10 6.509 -12.302 4.690 1.00 0.09 N ATOM 157 CA ALA A 10 5.324 -11.665 5.312 1.00 0.09 C ATOM 158 C ALA A 10 4.421 -11.069 4.234 1.00 0.09 C ATOM 159 O ALA A 10 3.234 -11.330 4.201 1.00 0.10 O ATOM 160 CB ALA A 10 5.791 -10.555 6.245 1.00 0.11 C ATOM 0 H ALA A 10 7.382 -11.784 4.786 1.00 0.09 H new ATOM 0 HA ALA A 10 4.764 -12.415 5.870 1.00 0.09 H new ATOM 0 HB1 ALA A 10 4.926 -10.080 6.707 1.00 0.11 H new ATOM 0 HB2 ALA A 10 6.431 -10.976 7.020 1.00 0.11 H new ATOM 0 HB3 ALA A 10 6.351 -9.813 5.676 1.00 0.11 H new ATOM 166 N PHE A 11 5.005 -10.274 3.376 1.00 0.09 N ATOM 167 CA PHE A 11 4.202 -9.650 2.285 1.00 0.12 C ATOM 168 C PHE A 11 3.251 -10.681 1.680 1.00 0.15 C ATOM 169 O PHE A 11 2.196 -10.345 1.187 1.00 0.19 O ATOM 170 CB PHE A 11 5.149 -9.133 1.202 1.00 0.10 C ATOM 171 CG PHE A 11 4.333 -8.501 0.073 1.00 0.09 C ATOM 172 CD1 PHE A 11 3.617 -7.337 0.292 1.00 0.11 C ATOM 173 CD2 PHE A 11 4.298 -9.085 -1.183 1.00 0.10 C ATOM 174 CE1 PHE A 11 2.882 -6.766 -0.728 1.00 0.14 C ATOM 175 CE2 PHE A 11 3.562 -8.512 -2.200 1.00 0.13 C ATOM 176 CZ PHE A 11 2.854 -7.354 -1.972 1.00 0.15 C ATOM 0 H PHE A 11 5.996 -10.032 3.383 1.00 0.09 H new ATOM 0 HA PHE A 11 3.617 -8.825 2.692 1.00 0.12 H new ATOM 0 HB2 PHE A 11 5.836 -8.399 1.624 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.756 -9.951 0.813 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.633 -6.872 1.267 1.00 0.11 H new ATOM 0 HD2 PHE A 11 4.850 -9.995 -1.367 1.00 0.10 H new ATOM 0 HE1 PHE A 11 2.328 -5.856 -0.549 1.00 0.14 H new ATOM 0 HE2 PHE A 11 3.542 -8.973 -3.176 1.00 0.13 H new ATOM 0 HZ PHE A 11 2.277 -6.907 -2.768 1.00 0.15 H new ATOM 186 N GLN A 12 3.651 -11.920 1.733 1.00 0.14 N ATOM 187 CA GLN A 12 2.781 -12.994 1.166 1.00 0.19 C ATOM 188 C GLN A 12 1.616 -13.286 2.109 1.00 0.25 C ATOM 189 O GLN A 12 0.466 -13.142 1.748 1.00 0.44 O ATOM 190 CB GLN A 12 3.612 -14.262 0.973 1.00 0.19 C ATOM 191 CG GLN A 12 4.038 -14.363 -0.493 1.00 0.42 C ATOM 192 CD GLN A 12 2.842 -14.806 -1.338 1.00 0.92 C ATOM 193 OE1 GLN A 12 1.728 -14.888 -0.860 1.00 1.96 O ATOM 194 NE2 GLN A 12 3.029 -15.098 -2.596 1.00 1.12 N ATOM 0 H GLN A 12 4.532 -12.236 2.139 1.00 0.14 H new ATOM 0 HA GLN A 12 2.381 -12.662 0.208 1.00 0.19 H new ATOM 0 HB2 GLN A 12 4.490 -14.238 1.619 1.00 0.19 H new ATOM 0 HB3 GLN A 12 3.031 -15.139 1.257 1.00 0.19 H new ATOM 0 HG2 GLN A 12 4.408 -13.399 -0.843 1.00 0.42 H new ATOM 0 HG3 GLN A 12 4.856 -15.076 -0.598 1.00 0.42 H new ATOM 0 HE21 GLN A 12 3.962 -15.031 -3.002 1.00 1.12 H new ATOM 0 HE22 GLN A 12 2.242 -15.394 -3.173 1.00 1.12 H new ATOM 203 N GLU A 13 1.947 -13.689 3.293 1.00 0.13 N ATOM 204 CA GLU A 13 0.883 -14.008 4.290 1.00 0.18 C ATOM 205 C GLU A 13 -0.052 -12.809 4.475 1.00 0.19 C ATOM 206 O GLU A 13 -1.218 -12.970 4.773 1.00 0.30 O ATOM 207 CB GLU A 13 1.538 -14.359 5.624 1.00 0.16 C ATOM 208 CG GLU A 13 2.422 -15.594 5.436 1.00 0.69 C ATOM 209 CD GLU A 13 2.826 -16.142 6.805 1.00 0.76 C ATOM 210 OE1 GLU A 13 1.917 -16.364 7.588 1.00 0.89 O ATOM 211 OE2 GLU A 13 4.020 -16.309 6.991 1.00 1.75 O ATOM 0 H GLU A 13 2.905 -13.814 3.621 1.00 0.13 H new ATOM 0 HA GLU A 13 0.297 -14.854 3.930 1.00 0.18 H new ATOM 0 HB2 GLU A 13 2.135 -13.520 5.983 1.00 0.16 H new ATOM 0 HB3 GLU A 13 0.775 -14.553 6.378 1.00 0.16 H new ATOM 0 HG2 GLU A 13 1.886 -16.356 4.871 1.00 0.69 H new ATOM 0 HG3 GLU A 13 3.310 -15.335 4.859 1.00 0.69 H new ATOM 218 N ALA A 14 0.479 -11.630 4.296 1.00 0.17 N ATOM 219 CA ALA A 14 -0.374 -10.415 4.459 1.00 0.28 C ATOM 220 C ALA A 14 -1.483 -10.414 3.404 1.00 0.33 C ATOM 221 O ALA A 14 -2.614 -10.075 3.690 1.00 0.46 O ATOM 222 CB ALA A 14 0.493 -9.168 4.293 1.00 0.30 C ATOM 0 H ALA A 14 1.453 -11.455 4.047 1.00 0.17 H new ATOM 0 HA ALA A 14 -0.827 -10.419 5.451 1.00 0.28 H new ATOM 0 HB1 ALA A 14 -0.124 -8.277 4.411 1.00 0.30 H new ATOM 0 HB2 ALA A 14 1.279 -9.168 5.049 1.00 0.30 H new ATOM 0 HB3 ALA A 14 0.944 -9.168 3.301 1.00 0.30 H new ATOM 228 N LEU A 15 -1.132 -10.794 2.208 1.00 0.25 N ATOM 229 CA LEU A 15 -2.153 -10.828 1.122 1.00 0.31 C ATOM 230 C LEU A 15 -3.096 -12.013 1.330 1.00 0.41 C ATOM 231 O LEU A 15 -4.143 -12.095 0.719 1.00 0.52 O ATOM 232 CB LEU A 15 -1.442 -10.970 -0.225 1.00 0.22 C ATOM 233 CG LEU A 15 -0.556 -9.741 -0.470 1.00 0.20 C ATOM 234 CD1 LEU A 15 0.229 -9.943 -1.767 1.00 0.14 C ATOM 235 CD2 LEU A 15 -1.425 -8.485 -0.599 1.00 0.28 C ATOM 0 H LEU A 15 -0.192 -11.080 1.936 1.00 0.25 H new ATOM 0 HA LEU A 15 -2.734 -9.906 1.140 1.00 0.31 H new ATOM 0 HB2 LEU A 15 -0.836 -11.876 -0.234 1.00 0.22 H new ATOM 0 HB3 LEU A 15 -2.175 -11.069 -1.026 1.00 0.22 H new ATOM 0 HG LEU A 15 0.129 -9.618 0.369 1.00 0.20 H new ATOM 0 HD11 LEU A 15 0.861 -9.074 -1.949 1.00 0.14 H new ATOM 0 HD12 LEU A 15 0.852 -10.833 -1.680 1.00 0.14 H new ATOM 0 HD13 LEU A 15 -0.466 -10.066 -2.598 1.00 0.14 H new ATOM 0 HD21 LEU A 15 -0.788 -7.618 -0.773 1.00 0.28 H new ATOM 0 HD22 LEU A 15 -2.113 -8.603 -1.436 1.00 0.28 H new ATOM 0 HD23 LEU A 15 -1.993 -8.340 0.320 1.00 0.28 H new ATOM 247 N ASP A 16 -2.703 -12.908 2.193 1.00 0.39 N ATOM 248 CA ASP A 16 -3.563 -14.097 2.460 1.00 0.51 C ATOM 249 C ASP A 16 -4.448 -13.844 3.682 1.00 0.58 C ATOM 250 O ASP A 16 -5.484 -14.458 3.843 1.00 0.71 O ATOM 251 CB ASP A 16 -2.675 -15.314 2.715 1.00 0.49 C ATOM 252 CG ASP A 16 -3.541 -16.576 2.736 1.00 0.75 C ATOM 253 OD1 ASP A 16 -3.832 -17.050 1.651 1.00 0.88 O ATOM 254 OD2 ASP A 16 -3.861 -16.993 3.837 1.00 1.43 O ATOM 0 H ASP A 16 -1.831 -12.870 2.721 1.00 0.39 H new ATOM 0 HA ASP A 16 -4.200 -14.280 1.595 1.00 0.51 H new ATOM 0 HB2 ASP A 16 -1.915 -15.393 1.938 1.00 0.49 H new ATOM 0 HB3 ASP A 16 -2.150 -15.203 3.664 1.00 0.49 H new ATOM 259 N ALA A 17 -4.018 -12.944 4.515 1.00 0.50 N ATOM 260 CA ALA A 17 -4.818 -12.627 5.735 1.00 0.59 C ATOM 261 C ALA A 17 -5.822 -11.515 5.421 1.00 0.53 C ATOM 262 O ALA A 17 -6.736 -11.262 6.182 1.00 0.48 O ATOM 263 CB ALA A 17 -3.878 -12.169 6.848 1.00 0.70 C ATOM 0 H ALA A 17 -3.153 -12.414 4.409 1.00 0.50 H new ATOM 0 HA ALA A 17 -5.360 -13.517 6.056 1.00 0.59 H new ATOM 0 HB1 ALA A 17 -4.458 -11.936 7.741 1.00 0.70 H new ATOM 0 HB2 ALA A 17 -3.167 -12.964 7.074 1.00 0.70 H new ATOM 0 HB3 ALA A 17 -3.337 -11.280 6.525 1.00 0.70 H new ATOM 269 N ALA A 18 -5.625 -10.875 4.301 1.00 0.55 N ATOM 270 CA ALA A 18 -6.550 -9.774 3.906 1.00 0.51 C ATOM 271 C ALA A 18 -7.734 -10.338 3.117 1.00 0.44 C ATOM 272 O ALA A 18 -8.469 -9.603 2.486 1.00 0.52 O ATOM 273 CB ALA A 18 -5.788 -8.782 3.031 1.00 0.57 C ATOM 0 H ALA A 18 -4.868 -11.065 3.645 1.00 0.55 H new ATOM 0 HA ALA A 18 -6.926 -9.278 4.801 1.00 0.51 H new ATOM 0 HB1 ALA A 18 -6.454 -7.971 2.735 1.00 0.57 H new ATOM 0 HB2 ALA A 18 -4.947 -8.374 3.591 1.00 0.57 H new ATOM 0 HB3 ALA A 18 -5.419 -9.291 2.141 1.00 0.57 H new ATOM 279 N GLY A 19 -7.896 -11.631 3.168 1.00 0.42 N ATOM 280 CA GLY A 19 -9.021 -12.253 2.419 1.00 0.35 C ATOM 281 C GLY A 19 -8.973 -11.828 0.951 1.00 0.49 C ATOM 282 O GLY A 19 -7.919 -11.815 0.345 1.00 1.09 O ATOM 0 H GLY A 19 -7.305 -12.277 3.690 1.00 0.42 H new ATOM 0 HA2 GLY A 19 -8.962 -13.339 2.493 1.00 0.35 H new ATOM 0 HA3 GLY A 19 -9.972 -11.955 2.861 1.00 0.35 H new ATOM 286 N ASP A 20 -10.116 -11.488 0.411 1.00 0.18 N ATOM 287 CA ASP A 20 -10.165 -11.057 -1.022 1.00 0.21 C ATOM 288 C ASP A 20 -10.453 -9.556 -1.113 1.00 0.20 C ATOM 289 O ASP A 20 -10.289 -8.952 -2.155 1.00 0.27 O ATOM 290 CB ASP A 20 -11.271 -11.831 -1.736 1.00 0.31 C ATOM 291 CG ASP A 20 -10.840 -13.289 -1.914 1.00 1.03 C ATOM 292 OD1 ASP A 20 -9.912 -13.667 -1.218 1.00 1.82 O ATOM 293 OD2 ASP A 20 -11.463 -13.943 -2.735 1.00 1.76 O ATOM 0 H ASP A 20 -11.013 -11.490 0.896 1.00 0.18 H new ATOM 0 HA ASP A 20 -9.203 -11.260 -1.492 1.00 0.21 H new ATOM 0 HB2 ASP A 20 -12.195 -11.781 -1.159 1.00 0.31 H new ATOM 0 HB3 ASP A 20 -11.477 -11.380 -2.707 1.00 0.31 H new ATOM 298 N LYS A 21 -10.878 -8.985 -0.020 1.00 0.20 N ATOM 299 CA LYS A 21 -11.176 -7.522 -0.027 1.00 0.32 C ATOM 300 C LYS A 21 -10.044 -6.766 -0.732 1.00 0.23 C ATOM 301 O LYS A 21 -8.934 -7.253 -0.818 1.00 0.16 O ATOM 302 CB LYS A 21 -11.292 -7.026 1.415 1.00 0.43 C ATOM 303 CG LYS A 21 -12.314 -7.883 2.169 1.00 0.59 C ATOM 304 CD LYS A 21 -12.427 -7.377 3.610 1.00 0.91 C ATOM 305 CE LYS A 21 -12.869 -8.527 4.514 1.00 0.96 C ATOM 306 NZ LYS A 21 -14.006 -9.265 3.898 1.00 0.70 N ATOM 0 H LYS A 21 -11.031 -9.460 0.869 1.00 0.20 H new ATOM 0 HA LYS A 21 -12.112 -7.346 -0.557 1.00 0.32 H new ATOM 0 HB2 LYS A 21 -10.322 -7.080 1.909 1.00 0.43 H new ATOM 0 HB3 LYS A 21 -11.599 -5.980 1.428 1.00 0.43 H new ATOM 0 HG2 LYS A 21 -13.285 -7.832 1.675 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -12.007 -8.929 2.161 1.00 0.59 H new ATOM 0 HD2 LYS A 21 -11.468 -6.983 3.946 1.00 0.91 H new ATOM 0 HD3 LYS A 21 -13.145 -6.559 3.665 1.00 0.91 H new ATOM 0 HE2 LYS A 21 -12.034 -9.207 4.682 1.00 0.96 H new ATOM 0 HE3 LYS A 21 -13.165 -8.139 5.489 1.00 0.96 H new ATOM 0 HZ1 LYS A 21 -14.510 -9.802 4.632 1.00 0.70 H new ATOM 0 HZ2 LYS A 21 -14.659 -8.588 3.454 1.00 0.70 H new ATOM 0 HZ3 LYS A 21 -13.644 -9.921 3.176 1.00 0.70 H new ATOM 320 N LEU A 22 -10.341 -5.592 -1.219 1.00 0.24 N ATOM 321 CA LEU A 22 -9.280 -4.807 -1.914 1.00 0.16 C ATOM 322 C LEU A 22 -8.038 -4.727 -1.019 1.00 0.09 C ATOM 323 O LEU A 22 -8.150 -4.636 0.187 1.00 0.16 O ATOM 324 CB LEU A 22 -9.804 -3.393 -2.197 1.00 0.17 C ATOM 325 CG LEU A 22 -9.688 -3.070 -3.698 1.00 0.15 C ATOM 326 CD1 LEU A 22 -10.448 -1.774 -3.990 1.00 1.22 C ATOM 327 CD2 LEU A 22 -8.216 -2.865 -4.070 1.00 1.47 C ATOM 0 H LEU A 22 -11.257 -5.147 -1.168 1.00 0.24 H new ATOM 0 HA LEU A 22 -9.017 -5.293 -2.853 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -10.844 -3.313 -1.880 1.00 0.17 H new ATOM 0 HB3 LEU A 22 -9.237 -2.665 -1.617 1.00 0.17 H new ATOM 0 HG LEU A 22 -10.104 -3.895 -4.277 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -10.371 -1.538 -5.051 1.00 1.22 H new ATOM 0 HD12 LEU A 22 -11.497 -1.899 -3.722 1.00 1.22 H new ATOM 0 HD13 LEU A 22 -10.018 -0.961 -3.405 1.00 1.22 H new ATOM 0 HD21 LEU A 22 -8.138 -2.637 -5.133 1.00 1.47 H new ATOM 0 HD22 LEU A 22 -7.806 -2.038 -3.490 1.00 1.47 H new ATOM 0 HD23 LEU A 22 -7.656 -3.774 -3.852 1.00 1.47 H new ATOM 339 N VAL A 23 -6.882 -4.767 -1.631 1.00 0.10 N ATOM 340 CA VAL A 23 -5.620 -4.709 -0.837 1.00 0.08 C ATOM 341 C VAL A 23 -4.665 -3.691 -1.480 1.00 0.09 C ATOM 342 O VAL A 23 -3.908 -4.020 -2.366 1.00 0.08 O ATOM 343 CB VAL A 23 -5.002 -6.121 -0.842 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.056 -6.297 0.347 1.00 0.14 C ATOM 345 CG2 VAL A 23 -6.128 -7.159 -0.742 1.00 0.15 C ATOM 0 H VAL A 23 -6.758 -4.837 -2.641 1.00 0.10 H new ATOM 0 HA VAL A 23 -5.810 -4.394 0.189 1.00 0.08 H new ATOM 0 HB VAL A 23 -4.439 -6.257 -1.765 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.629 -7.300 0.327 1.00 0.14 H new ATOM 0 HG12 VAL A 23 -3.255 -5.560 0.287 1.00 0.14 H new ATOM 0 HG13 VAL A 23 -4.609 -6.157 1.276 1.00 0.14 H new ATOM 0 HG21 VAL A 23 -5.700 -8.161 -0.745 1.00 0.15 H new ATOM 0 HG22 VAL A 23 -6.684 -7.005 0.183 1.00 0.15 H new ATOM 0 HG23 VAL A 23 -6.801 -7.049 -1.593 1.00 0.15 H new ATOM 355 N VAL A 24 -4.720 -2.469 -1.002 1.00 0.12 N ATOM 356 CA VAL A 24 -3.857 -1.398 -1.602 1.00 0.15 C ATOM 357 C VAL A 24 -2.583 -1.170 -0.774 1.00 0.20 C ATOM 358 O VAL A 24 -2.652 -0.871 0.402 1.00 0.43 O ATOM 359 CB VAL A 24 -4.662 -0.102 -1.650 1.00 0.17 C ATOM 360 CG1 VAL A 24 -3.808 0.998 -2.279 1.00 0.22 C ATOM 361 CG2 VAL A 24 -5.920 -0.324 -2.494 1.00 0.14 C ATOM 0 H VAL A 24 -5.317 -2.169 -0.232 1.00 0.12 H new ATOM 0 HA VAL A 24 -3.556 -1.711 -2.602 1.00 0.15 H new ATOM 0 HB VAL A 24 -4.949 0.195 -0.641 1.00 0.17 H new ATOM 0 HG11 VAL A 24 -4.379 1.926 -2.315 1.00 0.22 H new ATOM 0 HG12 VAL A 24 -2.909 1.148 -1.680 1.00 0.22 H new ATOM 0 HG13 VAL A 24 -3.526 0.706 -3.290 1.00 0.22 H new ATOM 0 HG21 VAL A 24 -6.500 0.598 -2.532 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.633 -0.615 -3.505 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.524 -1.114 -2.047 1.00 0.14 H new ATOM 371 N VAL A 25 -1.447 -1.277 -1.426 1.00 0.11 N ATOM 372 CA VAL A 25 -0.150 -1.076 -0.695 1.00 0.11 C ATOM 373 C VAL A 25 0.381 0.341 -0.906 1.00 0.13 C ATOM 374 O VAL A 25 0.097 0.973 -1.904 1.00 0.19 O ATOM 375 CB VAL A 25 0.889 -2.064 -1.222 1.00 0.11 C ATOM 376 CG1 VAL A 25 2.227 -1.802 -0.527 1.00 0.33 C ATOM 377 CG2 VAL A 25 0.439 -3.484 -0.914 1.00 0.17 C ATOM 0 H VAL A 25 -1.360 -1.492 -2.419 1.00 0.11 H new ATOM 0 HA VAL A 25 -0.330 -1.237 0.368 1.00 0.11 H new ATOM 0 HB VAL A 25 0.998 -1.940 -2.299 1.00 0.11 H new ATOM 0 HG11 VAL A 25 2.974 -2.504 -0.898 1.00 0.33 H new ATOM 0 HG12 VAL A 25 2.552 -0.783 -0.736 1.00 0.33 H new ATOM 0 HG13 VAL A 25 2.110 -1.933 0.549 1.00 0.33 H new ATOM 0 HG21 VAL A 25 1.180 -4.190 -1.290 1.00 0.17 H new ATOM 0 HG22 VAL A 25 0.335 -3.607 0.164 1.00 0.17 H new ATOM 0 HG23 VAL A 25 -0.520 -3.674 -1.395 1.00 0.17 H new ATOM 387 N ASP A 26 1.145 0.801 0.051 1.00 0.15 N ATOM 388 CA ASP A 26 1.744 2.164 -0.057 1.00 0.16 C ATOM 389 C ASP A 26 3.264 2.059 0.073 1.00 0.12 C ATOM 390 O ASP A 26 3.803 2.111 1.161 1.00 0.12 O ATOM 391 CB ASP A 26 1.199 3.045 1.060 1.00 0.20 C ATOM 392 CG ASP A 26 1.752 4.463 0.900 1.00 0.36 C ATOM 393 OD1 ASP A 26 1.893 4.864 -0.244 1.00 1.53 O ATOM 394 OD2 ASP A 26 2.005 5.065 1.930 1.00 0.91 O ATOM 0 H ASP A 26 1.380 0.291 0.903 1.00 0.15 H new ATOM 0 HA ASP A 26 1.489 2.601 -1.022 1.00 0.16 H new ATOM 0 HB2 ASP A 26 0.110 3.061 1.028 1.00 0.20 H new ATOM 0 HB3 ASP A 26 1.483 2.639 2.031 1.00 0.20 H new ATOM 399 N PHE A 27 3.918 1.907 -1.040 1.00 0.12 N ATOM 400 CA PHE A 27 5.401 1.787 -1.010 1.00 0.12 C ATOM 401 C PHE A 27 6.043 3.161 -0.805 1.00 0.11 C ATOM 402 O PHE A 27 6.147 3.949 -1.724 1.00 0.15 O ATOM 403 CB PHE A 27 5.863 1.192 -2.330 1.00 0.15 C ATOM 404 CG PHE A 27 5.517 -0.297 -2.350 1.00 0.15 C ATOM 405 CD1 PHE A 27 6.371 -1.224 -1.779 1.00 0.13 C ATOM 406 CD2 PHE A 27 4.344 -0.738 -2.937 1.00 0.18 C ATOM 407 CE1 PHE A 27 6.061 -2.566 -1.801 1.00 0.13 C ATOM 408 CE2 PHE A 27 4.038 -2.084 -2.956 1.00 0.18 C ATOM 409 CZ PHE A 27 4.897 -2.995 -2.388 1.00 0.16 C ATOM 0 H PHE A 27 3.494 1.861 -1.966 1.00 0.12 H new ATOM 0 HA PHE A 27 5.700 1.144 -0.183 1.00 0.12 H new ATOM 0 HB2 PHE A 27 5.380 1.702 -3.163 1.00 0.15 H new ATOM 0 HB3 PHE A 27 6.937 1.331 -2.451 1.00 0.15 H new ATOM 0 HD1 PHE A 27 7.287 -0.893 -1.313 1.00 0.13 H new ATOM 0 HD2 PHE A 27 3.665 -0.026 -3.382 1.00 0.18 H new ATOM 0 HE1 PHE A 27 6.735 -3.282 -1.355 1.00 0.13 H new ATOM 0 HE2 PHE A 27 3.122 -2.422 -3.418 1.00 0.18 H new ATOM 0 HZ PHE A 27 4.656 -4.048 -2.404 1.00 0.16 H new ATOM 419 N SER A 28 6.460 3.416 0.406 1.00 0.08 N ATOM 420 CA SER A 28 7.099 4.730 0.704 1.00 0.09 C ATOM 421 C SER A 28 8.237 4.541 1.712 1.00 0.12 C ATOM 422 O SER A 28 8.426 3.464 2.244 1.00 0.05 O ATOM 423 CB SER A 28 6.052 5.673 1.290 1.00 0.19 C ATOM 424 OG SER A 28 6.081 5.401 2.683 1.00 1.03 O ATOM 0 H SER A 28 6.387 2.776 1.197 1.00 0.08 H new ATOM 0 HA SER A 28 7.505 5.152 -0.215 1.00 0.09 H new ATOM 0 HB2 SER A 28 6.294 6.715 1.082 1.00 0.19 H new ATOM 0 HB3 SER A 28 5.065 5.485 0.868 1.00 0.19 H new ATOM 0 HG SER A 28 5.216 5.034 2.963 1.00 1.03 H new ATOM 430 N ALA A 29 8.972 5.591 1.955 1.00 0.32 N ATOM 431 CA ALA A 29 10.100 5.485 2.930 1.00 0.44 C ATOM 432 C ALA A 29 9.626 5.873 4.335 1.00 0.52 C ATOM 433 O ALA A 29 8.951 6.867 4.512 1.00 0.49 O ATOM 434 CB ALA A 29 11.222 6.427 2.497 1.00 0.41 C ATOM 0 H ALA A 29 8.845 6.508 1.528 1.00 0.32 H new ATOM 0 HA ALA A 29 10.460 4.456 2.951 1.00 0.44 H new ATOM 0 HB1 ALA A 29 12.049 6.356 3.203 1.00 0.41 H new ATOM 0 HB2 ALA A 29 11.569 6.147 1.502 1.00 0.41 H new ATOM 0 HB3 ALA A 29 10.850 7.451 2.476 1.00 0.41 H new ATOM 440 N THR A 30 9.989 5.077 5.306 1.00 0.64 N ATOM 441 CA THR A 30 9.567 5.392 6.704 1.00 0.74 C ATOM 442 C THR A 30 10.576 6.342 7.349 1.00 0.75 C ATOM 443 O THR A 30 10.208 7.296 8.006 1.00 0.73 O ATOM 444 CB THR A 30 9.492 4.095 7.515 1.00 0.88 C ATOM 445 OG1 THR A 30 8.877 4.472 8.744 1.00 0.98 O ATOM 446 CG2 THR A 30 10.881 3.588 7.898 1.00 0.99 C ATOM 0 H THR A 30 10.552 4.233 5.196 1.00 0.64 H new ATOM 0 HA THR A 30 8.588 5.870 6.687 1.00 0.74 H new ATOM 0 HB THR A 30 8.973 3.328 6.940 1.00 0.88 H new ATOM 0 HG1 THR A 30 8.792 3.685 9.322 1.00 0.98 H new ATOM 0 HG21 THR A 30 10.786 2.666 8.472 1.00 0.99 H new ATOM 0 HG22 THR A 30 11.460 3.395 6.995 1.00 0.99 H new ATOM 0 HG23 THR A 30 11.390 4.340 8.501 1.00 0.99 H new ATOM 454 N TRP A 31 11.826 6.056 7.146 1.00 0.81 N ATOM 455 CA TRP A 31 12.887 6.924 7.725 1.00 0.82 C ATOM 456 C TRP A 31 12.724 8.361 7.220 1.00 0.71 C ATOM 457 O TRP A 31 12.797 9.303 7.984 1.00 0.76 O ATOM 458 CB TRP A 31 14.237 6.386 7.280 1.00 0.82 C ATOM 459 CG TRP A 31 14.239 6.304 5.753 1.00 0.69 C ATOM 460 CD1 TRP A 31 13.792 5.257 5.066 1.00 0.71 C ATOM 461 CD2 TRP A 31 14.646 7.265 4.939 1.00 0.56 C ATOM 462 NE1 TRP A 31 13.948 5.627 3.788 1.00 0.59 N ATOM 463 CE2 TRP A 31 14.482 6.882 3.620 1.00 0.50 C ATOM 464 CE3 TRP A 31 15.165 8.522 5.223 1.00 0.50 C ATOM 465 CZ2 TRP A 31 14.828 7.738 2.600 1.00 0.40 C ATOM 466 CZ3 TRP A 31 15.511 9.375 4.196 1.00 0.37 C ATOM 467 CH2 TRP A 31 15.342 8.983 2.886 1.00 0.33 C ATOM 0 H TRP A 31 12.162 5.259 6.605 1.00 0.81 H new ATOM 0 HA TRP A 31 12.813 6.923 8.812 1.00 0.82 H new ATOM 0 HB2 TRP A 31 15.039 7.038 7.627 1.00 0.82 H new ATOM 0 HB3 TRP A 31 14.416 5.402 7.714 1.00 0.82 H new ATOM 0 HD1 TRP A 31 13.396 4.328 5.448 1.00 0.71 H new ATOM 0 HE1 TRP A 31 13.692 5.027 3.004 1.00 0.59 H new ATOM 0 HE3 TRP A 31 15.298 8.832 6.249 1.00 0.50 H new ATOM 0 HZ2 TRP A 31 14.696 7.433 1.572 1.00 0.40 H new ATOM 0 HZ3 TRP A 31 15.915 10.351 4.419 1.00 0.37 H new ATOM 0 HH2 TRP A 31 15.613 9.653 2.083 1.00 0.33 H new ATOM 478 N CYS A 32 12.503 8.494 5.938 1.00 0.56 N ATOM 479 CA CYS A 32 12.337 9.857 5.361 1.00 0.45 C ATOM 480 C CYS A 32 11.182 10.587 6.053 1.00 0.53 C ATOM 481 O CYS A 32 10.381 9.977 6.734 1.00 0.65 O ATOM 482 CB CYS A 32 12.045 9.739 3.870 1.00 0.38 C ATOM 483 SG CYS A 32 12.135 11.257 2.886 1.00 0.60 S ATOM 0 H CYS A 32 12.431 7.724 5.272 1.00 0.56 H new ATOM 0 HA CYS A 32 13.255 10.425 5.514 1.00 0.45 H new ATOM 0 HB2 CYS A 32 12.744 9.019 3.445 1.00 0.38 H new ATOM 0 HB3 CYS A 32 11.046 9.320 3.754 1.00 0.38 H new ATOM 0 HG CYS A 32 12.371 10.955 1.644 1.00 0.60 H new ATOM 489 N GLY A 33 11.123 11.877 5.858 1.00 0.49 N ATOM 490 CA GLY A 33 10.033 12.676 6.500 1.00 0.61 C ATOM 491 C GLY A 33 8.924 13.034 5.489 1.00 0.51 C ATOM 492 O GLY A 33 7.819 12.538 5.579 1.00 0.52 O ATOM 0 H GLY A 33 11.777 12.412 5.286 1.00 0.49 H new ATOM 0 HA2 GLY A 33 9.604 12.110 7.327 1.00 0.61 H new ATOM 0 HA3 GLY A 33 10.451 13.590 6.922 1.00 0.61 H new ATOM 496 N PRO A 34 9.252 13.896 4.543 1.00 0.49 N ATOM 497 CA PRO A 34 8.286 14.337 3.523 1.00 0.46 C ATOM 498 C PRO A 34 7.581 13.147 2.853 1.00 0.31 C ATOM 499 O PRO A 34 6.588 13.323 2.173 1.00 0.40 O ATOM 500 CB PRO A 34 9.116 15.121 2.502 1.00 0.58 C ATOM 501 CG PRO A 34 10.540 15.306 3.108 1.00 0.67 C ATOM 502 CD PRO A 34 10.596 14.483 4.410 1.00 0.58 C ATOM 0 HA PRO A 34 7.492 14.940 3.963 1.00 0.46 H new ATOM 0 HB2 PRO A 34 9.168 14.584 1.555 1.00 0.58 H new ATOM 0 HB3 PRO A 34 8.658 16.088 2.295 1.00 0.58 H new ATOM 0 HG2 PRO A 34 11.303 14.968 2.407 1.00 0.67 H new ATOM 0 HG3 PRO A 34 10.737 16.359 3.310 1.00 0.67 H new ATOM 0 HD2 PRO A 34 11.362 13.709 4.356 1.00 0.58 H new ATOM 0 HD3 PRO A 34 10.839 15.113 5.266 1.00 0.58 H new ATOM 510 N CYS A 35 8.099 11.967 3.052 1.00 0.33 N ATOM 511 CA CYS A 35 7.444 10.778 2.429 1.00 0.21 C ATOM 512 C CYS A 35 6.250 10.344 3.275 1.00 0.20 C ATOM 513 O CYS A 35 5.216 9.974 2.755 1.00 0.36 O ATOM 514 CB CYS A 35 8.444 9.629 2.340 1.00 0.22 C ATOM 515 SG CYS A 35 9.921 9.883 1.326 1.00 0.40 S ATOM 0 H CYS A 35 8.932 11.773 3.608 1.00 0.33 H new ATOM 0 HA CYS A 35 7.102 11.042 1.428 1.00 0.21 H new ATOM 0 HB2 CYS A 35 8.768 9.386 3.352 1.00 0.22 H new ATOM 0 HB3 CYS A 35 7.918 8.755 1.956 1.00 0.22 H new ATOM 0 HG CYS A 35 10.829 10.493 2.028 1.00 0.40 H new ATOM 521 N LYS A 36 6.417 10.398 4.566 1.00 0.31 N ATOM 522 CA LYS A 36 5.304 9.997 5.457 1.00 0.50 C ATOM 523 C LYS A 36 4.382 11.191 5.713 1.00 0.48 C ATOM 524 O LYS A 36 3.252 11.015 6.083 1.00 0.92 O ATOM 525 CB LYS A 36 5.878 9.482 6.784 1.00 0.71 C ATOM 526 CG LYS A 36 4.768 8.780 7.573 1.00 1.02 C ATOM 527 CD LYS A 36 5.370 8.029 8.764 1.00 1.18 C ATOM 528 CE LYS A 36 5.740 6.606 8.332 1.00 3.19 C ATOM 529 NZ LYS A 36 4.514 5.804 8.058 1.00 4.69 N ATOM 0 H LYS A 36 7.270 10.700 5.036 1.00 0.31 H new ATOM 0 HA LYS A 36 4.725 9.205 4.981 1.00 0.50 H new ATOM 0 HB2 LYS A 36 6.699 8.791 6.595 1.00 0.71 H new ATOM 0 HB3 LYS A 36 6.285 10.310 7.364 1.00 0.71 H new ATOM 0 HG2 LYS A 36 4.040 9.512 7.924 1.00 1.02 H new ATOM 0 HG3 LYS A 36 4.234 8.084 6.926 1.00 1.02 H new ATOM 0 HD2 LYS A 36 6.254 8.552 9.129 1.00 1.18 H new ATOM 0 HD3 LYS A 36 4.656 7.997 9.587 1.00 1.18 H new ATOM 0 HE2 LYS A 36 6.364 6.642 7.439 1.00 3.19 H new ATOM 0 HE3 LYS A 36 6.329 6.125 9.113 1.00 3.19 H new ATOM 0 HZ1 LYS A 36 4.716 4.796 8.217 1.00 4.69 H new ATOM 0 HZ2 LYS A 36 3.750 6.109 8.695 1.00 4.69 H new ATOM 0 HZ3 LYS A 36 4.219 5.947 7.071 1.00 4.69 H new ATOM 543 N MET A 37 4.885 12.386 5.500 1.00 0.26 N ATOM 544 CA MET A 37 4.023 13.592 5.729 1.00 0.29 C ATOM 545 C MET A 37 2.624 13.338 5.161 1.00 0.31 C ATOM 546 O MET A 37 1.645 13.886 5.629 1.00 0.43 O ATOM 547 CB MET A 37 4.646 14.802 5.036 1.00 0.27 C ATOM 548 CG MET A 37 5.452 15.604 6.061 1.00 1.54 C ATOM 549 SD MET A 37 6.452 16.982 5.446 1.00 2.18 S ATOM 550 CE MET A 37 7.263 17.390 7.013 1.00 3.48 C ATOM 0 H MET A 37 5.836 12.577 5.184 1.00 0.26 H new ATOM 0 HA MET A 37 3.948 13.786 6.799 1.00 0.29 H new ATOM 0 HB2 MET A 37 5.292 14.477 4.220 1.00 0.27 H new ATOM 0 HB3 MET A 37 3.868 15.426 4.597 1.00 0.27 H new ATOM 0 HG2 MET A 37 4.756 15.998 6.802 1.00 1.54 H new ATOM 0 HG3 MET A 37 6.115 14.913 6.582 1.00 1.54 H new ATOM 0 HE1 MET A 37 7.940 18.231 6.864 1.00 3.48 H new ATOM 0 HE2 MET A 37 6.510 17.657 7.754 1.00 3.48 H new ATOM 0 HE3 MET A 37 7.828 16.527 7.366 1.00 3.48 H new ATOM 560 N ILE A 38 2.571 12.506 4.162 1.00 0.22 N ATOM 561 CA ILE A 38 1.256 12.166 3.545 1.00 0.27 C ATOM 562 C ILE A 38 0.653 10.949 4.268 1.00 0.30 C ATOM 563 O ILE A 38 -0.011 10.127 3.670 1.00 0.39 O ATOM 564 CB ILE A 38 1.484 11.826 2.067 1.00 0.28 C ATOM 565 CG1 ILE A 38 2.229 12.990 1.374 1.00 0.36 C ATOM 566 CG2 ILE A 38 0.135 11.579 1.383 1.00 0.41 C ATOM 567 CD1 ILE A 38 1.470 14.312 1.578 1.00 1.22 C ATOM 0 H ILE A 38 3.379 12.045 3.744 1.00 0.22 H new ATOM 0 HA ILE A 38 0.570 13.009 3.631 1.00 0.27 H new ATOM 0 HB ILE A 38 2.091 10.924 1.990 1.00 0.28 H new ATOM 0 HG12 ILE A 38 3.237 13.076 1.779 1.00 0.36 H new ATOM 0 HG13 ILE A 38 2.330 12.782 0.309 1.00 0.36 H new ATOM 0 HG21 ILE A 38 0.298 11.338 0.333 1.00 0.41 H new ATOM 0 HG22 ILE A 38 -0.374 10.748 1.871 1.00 0.41 H new ATOM 0 HG23 ILE A 38 -0.480 12.476 1.458 1.00 0.41 H new ATOM 0 HD11 ILE A 38 2.008 15.121 1.084 1.00 1.22 H new ATOM 0 HD12 ILE A 38 0.471 14.227 1.151 1.00 1.22 H new ATOM 0 HD13 ILE A 38 1.392 14.526 2.644 1.00 1.22 H new ATOM 579 N LYS A 39 0.905 10.872 5.544 1.00 0.59 N ATOM 580 CA LYS A 39 0.381 9.721 6.337 1.00 0.63 C ATOM 581 C LYS A 39 -1.073 9.960 6.830 1.00 0.58 C ATOM 582 O LYS A 39 -1.884 9.057 6.783 1.00 0.57 O ATOM 583 CB LYS A 39 1.331 9.445 7.534 1.00 0.75 C ATOM 584 CG LYS A 39 0.539 9.023 8.770 1.00 2.23 C ATOM 585 CD LYS A 39 1.510 8.525 9.841 1.00 2.12 C ATOM 586 CE LYS A 39 0.742 8.317 11.150 1.00 3.68 C ATOM 587 NZ LYS A 39 1.384 7.250 11.968 1.00 3.46 N ATOM 0 H LYS A 39 1.449 11.553 6.073 1.00 0.59 H new ATOM 0 HA LYS A 39 0.349 8.847 5.686 1.00 0.63 H new ATOM 0 HB2 LYS A 39 2.041 8.662 7.267 1.00 0.75 H new ATOM 0 HB3 LYS A 39 1.912 10.340 7.757 1.00 0.75 H new ATOM 0 HG2 LYS A 39 -0.041 9.864 9.150 1.00 2.23 H new ATOM 0 HG3 LYS A 39 -0.171 8.237 8.511 1.00 2.23 H new ATOM 0 HD2 LYS A 39 1.974 7.591 9.524 1.00 2.12 H new ATOM 0 HD3 LYS A 39 2.314 9.247 9.986 1.00 2.12 H new ATOM 0 HE2 LYS A 39 0.715 9.249 11.714 1.00 3.68 H new ATOM 0 HE3 LYS A 39 -0.291 8.045 10.933 1.00 3.68 H new ATOM 0 HZ1 LYS A 39 0.851 7.122 12.852 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 1.388 6.358 11.434 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 2.362 7.524 12.191 1.00 3.46 H new ATOM 601 N PRO A 40 -1.386 11.168 7.296 1.00 0.60 N ATOM 602 CA PRO A 40 -2.737 11.453 7.798 1.00 0.61 C ATOM 603 C PRO A 40 -3.762 11.348 6.666 1.00 0.50 C ATOM 604 O PRO A 40 -4.942 11.553 6.868 1.00 0.53 O ATOM 605 CB PRO A 40 -2.675 12.886 8.340 1.00 0.70 C ATOM 606 CG PRO A 40 -1.215 13.392 8.145 1.00 0.76 C ATOM 607 CD PRO A 40 -0.458 12.313 7.350 1.00 0.69 C ATOM 0 HA PRO A 40 -3.044 10.743 8.566 1.00 0.61 H new ATOM 0 HB2 PRO A 40 -3.378 13.528 7.810 1.00 0.70 H new ATOM 0 HB3 PRO A 40 -2.953 12.911 9.394 1.00 0.70 H new ATOM 0 HG2 PRO A 40 -1.206 14.341 7.609 1.00 0.76 H new ATOM 0 HG3 PRO A 40 -0.737 13.565 9.109 1.00 0.76 H new ATOM 0 HD2 PRO A 40 -0.203 12.664 6.350 1.00 0.69 H new ATOM 0 HD3 PRO A 40 0.477 12.042 7.841 1.00 0.69 H new ATOM 615 N PHE A 41 -3.276 11.025 5.497 1.00 0.38 N ATOM 616 CA PHE A 41 -4.186 10.893 4.323 1.00 0.25 C ATOM 617 C PHE A 41 -4.399 9.412 3.978 1.00 0.18 C ATOM 618 O PHE A 41 -5.519 8.955 3.859 1.00 0.16 O ATOM 619 CB PHE A 41 -3.551 11.609 3.135 1.00 0.16 C ATOM 620 CG PHE A 41 -3.702 13.120 3.313 1.00 0.26 C ATOM 621 CD1 PHE A 41 -2.743 13.846 3.999 1.00 0.35 C ATOM 622 CD2 PHE A 41 -4.800 13.784 2.791 1.00 0.31 C ATOM 623 CE1 PHE A 41 -2.880 15.210 4.158 1.00 0.45 C ATOM 624 CE2 PHE A 41 -4.934 15.148 2.951 1.00 0.42 C ATOM 625 CZ PHE A 41 -3.975 15.860 3.634 1.00 0.48 C ATOM 0 H PHE A 41 -2.290 10.847 5.305 1.00 0.38 H new ATOM 0 HA PHE A 41 -5.154 11.336 4.559 1.00 0.25 H new ATOM 0 HB2 PHE A 41 -2.496 11.344 3.058 1.00 0.16 H new ATOM 0 HB3 PHE A 41 -4.028 11.291 2.208 1.00 0.16 H new ATOM 0 HD1 PHE A 41 -1.882 13.342 4.412 1.00 0.35 H new ATOM 0 HD2 PHE A 41 -5.557 13.230 2.255 1.00 0.31 H new ATOM 0 HE1 PHE A 41 -2.127 15.769 4.694 1.00 0.45 H new ATOM 0 HE2 PHE A 41 -5.793 15.657 2.540 1.00 0.42 H new ATOM 0 HZ PHE A 41 -4.081 16.927 3.759 1.00 0.48 H new ATOM 635 N PHE A 42 -3.316 8.694 3.825 1.00 0.16 N ATOM 636 CA PHE A 42 -3.438 7.242 3.485 1.00 0.10 C ATOM 637 C PHE A 42 -3.685 6.415 4.749 1.00 0.14 C ATOM 638 O PHE A 42 -4.357 5.404 4.713 1.00 0.18 O ATOM 639 CB PHE A 42 -2.141 6.771 2.824 1.00 0.15 C ATOM 640 CG PHE A 42 -2.244 5.270 2.532 1.00 0.13 C ATOM 641 CD1 PHE A 42 -3.112 4.808 1.560 1.00 0.14 C ATOM 642 CD2 PHE A 42 -1.473 4.354 3.236 1.00 0.11 C ATOM 643 CE1 PHE A 42 -3.210 3.459 1.296 1.00 0.14 C ATOM 644 CE2 PHE A 42 -1.576 3.005 2.968 1.00 0.12 C ATOM 645 CZ PHE A 42 -2.444 2.558 1.999 1.00 0.14 C ATOM 0 H PHE A 42 -2.362 9.044 3.919 1.00 0.16 H new ATOM 0 HA PHE A 42 -4.279 7.108 2.805 1.00 0.10 H new ATOM 0 HB2 PHE A 42 -1.968 7.323 1.900 1.00 0.15 H new ATOM 0 HB3 PHE A 42 -1.292 6.970 3.478 1.00 0.15 H new ATOM 0 HD1 PHE A 42 -3.717 5.509 1.004 1.00 0.14 H new ATOM 0 HD2 PHE A 42 -0.789 4.700 3.997 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -3.891 3.108 0.534 1.00 0.14 H new ATOM 0 HE2 PHE A 42 -0.974 2.298 3.520 1.00 0.12 H new ATOM 0 HZ PHE A 42 -2.524 1.501 1.790 1.00 0.14 H new ATOM 655 N HIS A 43 -3.135 6.865 5.839 1.00 0.17 N ATOM 656 CA HIS A 43 -3.311 6.116 7.117 1.00 0.25 C ATOM 657 C HIS A 43 -4.630 6.515 7.788 1.00 0.23 C ATOM 658 O HIS A 43 -5.041 5.913 8.761 1.00 0.27 O ATOM 659 CB HIS A 43 -2.149 6.463 8.039 1.00 0.30 C ATOM 660 CG HIS A 43 -2.062 5.445 9.174 1.00 0.42 C ATOM 661 ND1 HIS A 43 -2.969 4.641 9.492 1.00 0.46 N ATOM 662 CD2 HIS A 43 -1.023 5.194 10.054 1.00 0.52 C ATOM 663 CE1 HIS A 43 -2.618 3.914 10.473 1.00 0.55 C ATOM 664 NE2 HIS A 43 -1.387 4.197 10.900 1.00 0.60 N ATOM 0 H HIS A 43 -2.574 7.714 5.904 1.00 0.17 H new ATOM 0 HA HIS A 43 -3.333 5.045 6.916 1.00 0.25 H new ATOM 0 HB2 HIS A 43 -1.216 6.472 7.475 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -2.284 7.465 8.447 1.00 0.30 H new ATOM 0 HD1 HIS A 43 -3.873 4.578 9.023 1.00 0.46 H new ATOM 0 HD2 HIS A 43 -0.074 5.709 10.065 1.00 0.52 H new ATOM 0 HE1 HIS A 43 -3.246 3.153 10.912 1.00 0.55 H new ATOM 672 N SER A 44 -5.265 7.521 7.254 1.00 0.22 N ATOM 673 CA SER A 44 -6.554 7.977 7.854 1.00 0.23 C ATOM 674 C SER A 44 -7.727 7.176 7.276 1.00 0.29 C ATOM 675 O SER A 44 -8.851 7.311 7.719 1.00 0.46 O ATOM 676 CB SER A 44 -6.750 9.461 7.549 1.00 0.17 C ATOM 677 OG SER A 44 -6.230 9.616 6.236 1.00 1.45 O ATOM 0 H SER A 44 -4.953 8.044 6.436 1.00 0.22 H new ATOM 0 HA SER A 44 -6.521 7.819 8.932 1.00 0.23 H new ATOM 0 HB2 SER A 44 -7.802 9.742 7.597 1.00 0.17 H new ATOM 0 HB3 SER A 44 -6.219 10.089 8.265 1.00 0.17 H new ATOM 0 HG SER A 44 -6.052 10.564 6.065 1.00 1.45 H new ATOM 683 N LEU A 45 -7.442 6.362 6.300 1.00 0.22 N ATOM 684 CA LEU A 45 -8.532 5.546 5.686 1.00 0.27 C ATOM 685 C LEU A 45 -8.745 4.259 6.488 1.00 0.28 C ATOM 686 O LEU A 45 -9.681 3.523 6.248 1.00 0.31 O ATOM 687 CB LEU A 45 -8.146 5.191 4.251 1.00 0.32 C ATOM 688 CG LEU A 45 -7.775 6.470 3.493 1.00 0.33 C ATOM 689 CD1 LEU A 45 -7.411 6.110 2.051 1.00 0.47 C ATOM 690 CD2 LEU A 45 -8.973 7.422 3.485 1.00 0.43 C ATOM 0 H LEU A 45 -6.513 6.225 5.902 1.00 0.22 H new ATOM 0 HA LEU A 45 -9.457 6.123 5.691 1.00 0.27 H new ATOM 0 HB2 LEU A 45 -7.305 4.497 4.250 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -8.975 4.688 3.754 1.00 0.32 H new ATOM 0 HG LEU A 45 -6.928 6.952 3.981 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -7.146 7.016 1.506 1.00 0.47 H new ATOM 0 HD12 LEU A 45 -6.563 5.425 2.050 1.00 0.47 H new ATOM 0 HD13 LEU A 45 -8.264 5.633 1.569 1.00 0.47 H new ATOM 0 HD21 LEU A 45 -8.711 8.332 2.946 1.00 0.43 H new ATOM 0 HD22 LEU A 45 -9.818 6.940 2.993 1.00 0.43 H new ATOM 0 HD23 LEU A 45 -9.245 7.673 4.510 1.00 0.43 H new ATOM 702 N SER A 46 -7.871 4.016 7.421 1.00 0.28 N ATOM 703 CA SER A 46 -8.004 2.785 8.246 1.00 0.32 C ATOM 704 C SER A 46 -9.215 2.898 9.181 1.00 0.21 C ATOM 705 O SER A 46 -9.586 1.942 9.833 1.00 0.55 O ATOM 706 CB SER A 46 -6.736 2.608 9.074 1.00 0.46 C ATOM 707 OG SER A 46 -6.100 1.478 8.497 1.00 1.74 O ATOM 0 H SER A 46 -7.075 4.612 7.648 1.00 0.28 H new ATOM 0 HA SER A 46 -8.148 1.926 7.591 1.00 0.32 H new ATOM 0 HB2 SER A 46 -6.100 3.492 9.023 1.00 0.46 H new ATOM 0 HB3 SER A 46 -6.967 2.441 10.126 1.00 0.46 H new ATOM 0 HG SER A 46 -5.903 1.659 7.554 1.00 1.74 H new ATOM 713 N GLU A 47 -9.805 4.065 9.221 1.00 0.25 N ATOM 714 CA GLU A 47 -10.992 4.261 10.112 1.00 0.27 C ATOM 715 C GLU A 47 -12.291 4.213 9.297 1.00 0.39 C ATOM 716 O GLU A 47 -13.208 3.489 9.633 1.00 0.59 O ATOM 717 CB GLU A 47 -10.876 5.620 10.804 1.00 0.51 C ATOM 718 CG GLU A 47 -9.758 5.563 11.850 1.00 0.87 C ATOM 719 CD GLU A 47 -9.776 6.848 12.681 1.00 1.99 C ATOM 720 OE1 GLU A 47 -10.580 6.889 13.598 1.00 2.05 O ATOM 721 OE2 GLU A 47 -8.984 7.715 12.353 1.00 3.16 O ATOM 0 H GLU A 47 -9.522 4.884 8.682 1.00 0.25 H new ATOM 0 HA GLU A 47 -11.016 3.462 10.853 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -10.664 6.397 10.070 1.00 0.51 H new ATOM 0 HB3 GLU A 47 -11.822 5.880 11.280 1.00 0.51 H new ATOM 0 HG2 GLU A 47 -9.894 4.696 12.497 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -8.791 5.447 11.360 1.00 0.87 H new ATOM 728 N LYS A 48 -12.345 4.984 8.245 1.00 0.59 N ATOM 729 CA LYS A 48 -13.583 4.993 7.408 1.00 0.91 C ATOM 730 C LYS A 48 -13.704 3.691 6.609 1.00 0.69 C ATOM 731 O LYS A 48 -14.611 2.913 6.823 1.00 0.90 O ATOM 732 CB LYS A 48 -13.534 6.174 6.447 1.00 1.30 C ATOM 733 CG LYS A 48 -14.926 6.814 6.388 1.00 1.77 C ATOM 734 CD LYS A 48 -15.224 7.556 7.701 1.00 2.53 C ATOM 735 CE LYS A 48 -15.528 9.023 7.388 1.00 2.33 C ATOM 736 NZ LYS A 48 -14.377 9.660 6.688 1.00 1.63 N ATOM 0 H LYS A 48 -11.597 5.601 7.930 1.00 0.59 H new ATOM 0 HA LYS A 48 -14.449 5.082 8.064 1.00 0.91 H new ATOM 0 HB2 LYS A 48 -12.796 6.903 6.781 1.00 1.30 H new ATOM 0 HB3 LYS A 48 -13.228 5.842 5.455 1.00 1.30 H new ATOM 0 HG2 LYS A 48 -14.980 7.508 5.549 1.00 1.77 H new ATOM 0 HG3 LYS A 48 -15.680 6.046 6.216 1.00 1.77 H new ATOM 0 HD2 LYS A 48 -16.072 7.096 8.209 1.00 2.53 H new ATOM 0 HD3 LYS A 48 -14.371 7.484 8.376 1.00 2.53 H new ATOM 0 HE2 LYS A 48 -16.421 9.090 6.766 1.00 2.33 H new ATOM 0 HE3 LYS A 48 -15.741 9.561 8.312 1.00 2.33 H new ATOM 0 HZ1 LYS A 48 -14.315 10.661 6.962 1.00 1.63 H new ATOM 0 HZ2 LYS A 48 -13.497 9.174 6.954 1.00 1.63 H new ATOM 0 HZ3 LYS A 48 -14.514 9.590 5.659 1.00 1.63 H new ATOM 750 N TYR A 49 -12.786 3.480 5.707 1.00 0.46 N ATOM 751 CA TYR A 49 -12.841 2.236 4.885 1.00 0.20 C ATOM 752 C TYR A 49 -12.396 1.029 5.718 1.00 0.10 C ATOM 753 O TYR A 49 -11.231 0.685 5.744 1.00 0.06 O ATOM 754 CB TYR A 49 -11.915 2.391 3.681 1.00 0.17 C ATOM 755 CG TYR A 49 -12.673 3.073 2.540 1.00 0.22 C ATOM 756 CD1 TYR A 49 -13.628 2.382 1.822 1.00 0.36 C ATOM 757 CD2 TYR A 49 -12.411 4.388 2.213 1.00 0.41 C ATOM 758 CE1 TYR A 49 -14.310 2.998 0.792 1.00 0.56 C ATOM 759 CE2 TYR A 49 -13.093 5.003 1.183 1.00 0.57 C ATOM 760 CZ TYR A 49 -14.049 4.312 0.464 1.00 0.63 C ATOM 761 OH TYR A 49 -14.730 4.927 -0.566 1.00 0.85 O ATOM 0 H TYR A 49 -12.007 4.107 5.504 1.00 0.46 H new ATOM 0 HA TYR A 49 -13.865 2.074 4.549 1.00 0.20 H new ATOM 0 HB2 TYR A 49 -11.040 2.981 3.955 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -11.553 1.415 3.359 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -13.843 1.353 2.068 1.00 0.36 H new ATOM 0 HD2 TYR A 49 -11.666 4.940 2.767 1.00 0.41 H new ATOM 0 HE1 TYR A 49 -15.055 2.446 0.238 1.00 0.56 H new ATOM 0 HE2 TYR A 49 -12.878 6.032 0.937 1.00 0.57 H new ATOM 0 HH TYR A 49 -14.093 5.222 -1.250 1.00 0.85 H new ATOM 771 N SER A 50 -13.336 0.412 6.382 1.00 0.21 N ATOM 772 CA SER A 50 -12.985 -0.775 7.215 1.00 0.26 C ATOM 773 C SER A 50 -13.146 -2.059 6.399 1.00 0.30 C ATOM 774 O SER A 50 -12.741 -3.124 6.821 1.00 0.40 O ATOM 775 CB SER A 50 -13.906 -0.823 8.432 1.00 0.37 C ATOM 776 OG SER A 50 -15.212 -0.716 7.883 1.00 0.23 O ATOM 0 H SER A 50 -14.322 0.674 6.385 1.00 0.21 H new ATOM 0 HA SER A 50 -11.948 -0.692 7.539 1.00 0.26 H new ATOM 0 HB2 SER A 50 -13.783 -1.752 8.989 1.00 0.37 H new ATOM 0 HB3 SER A 50 -13.696 -0.007 9.123 1.00 0.37 H new ATOM 0 HG SER A 50 -15.874 -0.741 8.606 1.00 0.23 H new ATOM 782 N ASN A 51 -13.736 -1.928 5.245 1.00 0.27 N ATOM 783 CA ASN A 51 -13.936 -3.129 4.382 1.00 0.29 C ATOM 784 C ASN A 51 -12.707 -3.350 3.492 1.00 0.32 C ATOM 785 O ASN A 51 -12.507 -4.426 2.964 1.00 0.74 O ATOM 786 CB ASN A 51 -15.168 -2.914 3.506 1.00 0.31 C ATOM 787 CG ASN A 51 -15.421 -4.170 2.672 1.00 0.43 C ATOM 788 OD1 ASN A 51 -15.600 -4.106 1.472 1.00 1.26 O ATOM 789 ND2 ASN A 51 -15.445 -5.332 3.266 1.00 1.32 N ATOM 0 H ASN A 51 -14.087 -1.050 4.862 1.00 0.27 H new ATOM 0 HA ASN A 51 -14.077 -4.007 5.013 1.00 0.29 H new ATOM 0 HB2 ASN A 51 -16.036 -2.695 4.127 1.00 0.31 H new ATOM 0 HB3 ASN A 51 -15.018 -2.054 2.853 1.00 0.31 H new ATOM 0 HD21 ASN A 51 -15.613 -6.179 2.723 1.00 1.32 H new ATOM 0 HD22 ASN A 51 -15.295 -5.393 4.273 1.00 1.32 H new ATOM 796 N VAL A 52 -11.912 -2.323 3.346 1.00 0.20 N ATOM 797 CA VAL A 52 -10.689 -2.449 2.495 1.00 0.19 C ATOM 798 C VAL A 52 -9.451 -2.637 3.375 1.00 0.17 C ATOM 799 O VAL A 52 -9.392 -2.127 4.477 1.00 0.17 O ATOM 800 CB VAL A 52 -10.525 -1.176 1.667 1.00 0.17 C ATOM 801 CG1 VAL A 52 -9.272 -1.298 0.796 1.00 0.25 C ATOM 802 CG2 VAL A 52 -11.749 -0.993 0.771 1.00 0.30 C ATOM 0 H VAL A 52 -12.053 -1.408 3.775 1.00 0.20 H new ATOM 0 HA VAL A 52 -10.796 -3.314 1.840 1.00 0.19 H new ATOM 0 HB VAL A 52 -10.428 -0.317 2.331 1.00 0.17 H new ATOM 0 HG11 VAL A 52 -9.151 -0.391 0.203 1.00 0.25 H new ATOM 0 HG12 VAL A 52 -8.398 -1.434 1.433 1.00 0.25 H new ATOM 0 HG13 VAL A 52 -9.373 -2.156 0.131 1.00 0.25 H new ATOM 0 HG21 VAL A 52 -11.634 -0.085 0.179 1.00 0.30 H new ATOM 0 HG22 VAL A 52 -11.844 -1.851 0.105 1.00 0.30 H new ATOM 0 HG23 VAL A 52 -12.643 -0.913 1.389 1.00 0.30 H new ATOM 812 N ILE A 53 -8.488 -3.362 2.869 1.00 0.16 N ATOM 813 CA ILE A 53 -7.243 -3.584 3.663 1.00 0.15 C ATOM 814 C ILE A 53 -6.146 -2.637 3.180 1.00 0.13 C ATOM 815 O ILE A 53 -6.018 -2.379 1.996 1.00 0.14 O ATOM 816 CB ILE A 53 -6.780 -5.035 3.493 1.00 0.17 C ATOM 817 CG1 ILE A 53 -7.948 -5.994 3.811 1.00 0.42 C ATOM 818 CG2 ILE A 53 -5.595 -5.311 4.435 1.00 0.12 C ATOM 819 CD1 ILE A 53 -8.571 -5.647 5.174 1.00 1.41 C ATOM 0 H ILE A 53 -8.508 -3.806 1.951 1.00 0.16 H new ATOM 0 HA ILE A 53 -7.448 -3.388 4.716 1.00 0.15 H new ATOM 0 HB ILE A 53 -6.461 -5.197 2.464 1.00 0.17 H new ATOM 0 HG12 ILE A 53 -8.705 -5.926 3.030 1.00 0.42 H new ATOM 0 HG13 ILE A 53 -7.590 -7.023 3.819 1.00 0.42 H new ATOM 0 HG21 ILE A 53 -5.266 -6.343 4.313 1.00 0.12 H new ATOM 0 HG22 ILE A 53 -4.773 -4.637 4.193 1.00 0.12 H new ATOM 0 HG23 ILE A 53 -5.905 -5.148 5.467 1.00 0.12 H new ATOM 0 HD11 ILE A 53 -9.393 -6.332 5.383 1.00 1.41 H new ATOM 0 HD12 ILE A 53 -7.815 -5.738 5.954 1.00 1.41 H new ATOM 0 HD13 ILE A 53 -8.948 -4.624 5.152 1.00 1.41 H new ATOM 831 N PHE A 54 -5.377 -2.145 4.115 1.00 0.10 N ATOM 832 CA PHE A 54 -4.282 -1.197 3.757 1.00 0.08 C ATOM 833 C PHE A 54 -2.948 -1.674 4.339 1.00 0.07 C ATOM 834 O PHE A 54 -2.894 -2.158 5.451 1.00 0.12 O ATOM 835 CB PHE A 54 -4.621 0.173 4.340 1.00 0.07 C ATOM 836 CG PHE A 54 -5.906 0.698 3.692 1.00 0.10 C ATOM 837 CD1 PHE A 54 -5.854 1.432 2.521 1.00 0.17 C ATOM 838 CD2 PHE A 54 -7.138 0.443 4.271 1.00 0.14 C ATOM 839 CE1 PHE A 54 -7.013 1.905 1.939 1.00 0.21 C ATOM 840 CE2 PHE A 54 -8.297 0.916 3.686 1.00 0.17 C ATOM 841 CZ PHE A 54 -8.232 1.647 2.523 1.00 0.20 C ATOM 0 H PHE A 54 -5.460 -2.358 5.109 1.00 0.10 H new ATOM 0 HA PHE A 54 -4.190 -1.143 2.672 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -4.749 0.099 5.420 1.00 0.07 H new ATOM 0 HB3 PHE A 54 -3.801 0.869 4.163 1.00 0.07 H new ATOM 0 HD1 PHE A 54 -4.900 1.637 2.059 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -7.193 -0.129 5.185 1.00 0.14 H new ATOM 0 HE1 PHE A 54 -6.963 2.478 1.025 1.00 0.21 H new ATOM 0 HE2 PHE A 54 -9.254 0.712 4.142 1.00 0.17 H new ATOM 0 HZ PHE A 54 -9.138 2.019 2.068 1.00 0.20 H new ATOM 851 N LEU A 55 -1.904 -1.535 3.564 1.00 0.15 N ATOM 852 CA LEU A 55 -0.553 -1.953 4.049 1.00 0.14 C ATOM 853 C LEU A 55 0.458 -0.831 3.784 1.00 0.12 C ATOM 854 O LEU A 55 0.255 -0.002 2.917 1.00 0.21 O ATOM 855 CB LEU A 55 -0.097 -3.216 3.307 1.00 0.13 C ATOM 856 CG LEU A 55 -1.309 -4.108 3.001 1.00 0.39 C ATOM 857 CD1 LEU A 55 -1.963 -3.657 1.699 1.00 0.68 C ATOM 858 CD2 LEU A 55 -0.841 -5.548 2.822 1.00 0.41 C ATOM 0 H LEU A 55 -1.927 -1.152 2.619 1.00 0.15 H new ATOM 0 HA LEU A 55 -0.611 -2.158 5.118 1.00 0.14 H new ATOM 0 HB2 LEU A 55 0.407 -2.942 2.380 1.00 0.13 H new ATOM 0 HB3 LEU A 55 0.625 -3.764 3.913 1.00 0.13 H new ATOM 0 HG LEU A 55 -2.020 -4.036 3.824 1.00 0.39 H new ATOM 0 HD11 LEU A 55 -2.823 -4.292 1.485 1.00 0.68 H new ATOM 0 HD12 LEU A 55 -2.291 -2.622 1.796 1.00 0.68 H new ATOM 0 HD13 LEU A 55 -1.243 -3.734 0.884 1.00 0.68 H new ATOM 0 HD21 LEU A 55 -1.698 -6.185 2.605 1.00 0.41 H new ATOM 0 HD22 LEU A 55 -0.132 -5.600 1.996 1.00 0.41 H new ATOM 0 HD23 LEU A 55 -0.358 -5.890 3.737 1.00 0.41 H new ATOM 870 N GLU A 56 1.525 -0.838 4.535 1.00 0.18 N ATOM 871 CA GLU A 56 2.576 0.214 4.350 1.00 0.15 C ATOM 872 C GLU A 56 3.956 -0.449 4.301 1.00 0.12 C ATOM 873 O GLU A 56 4.388 -1.049 5.266 1.00 0.10 O ATOM 874 CB GLU A 56 2.521 1.194 5.523 1.00 0.24 C ATOM 875 CG GLU A 56 2.269 2.607 4.989 1.00 1.09 C ATOM 876 CD GLU A 56 3.438 3.031 4.095 1.00 2.17 C ATOM 877 OE1 GLU A 56 4.274 2.175 3.856 1.00 2.99 O ATOM 878 OE2 GLU A 56 3.427 4.185 3.699 1.00 3.00 O ATOM 0 H GLU A 56 1.718 -1.522 5.267 1.00 0.18 H new ATOM 0 HA GLU A 56 2.398 0.751 3.418 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.729 0.907 6.215 1.00 0.24 H new ATOM 0 HB3 GLU A 56 3.457 1.165 6.081 1.00 0.24 H new ATOM 0 HG2 GLU A 56 1.337 2.633 4.424 1.00 1.09 H new ATOM 0 HG3 GLU A 56 2.159 3.306 5.818 1.00 1.09 H new ATOM 885 N VAL A 57 4.621 -0.324 3.180 1.00 0.12 N ATOM 886 CA VAL A 57 5.970 -0.964 3.051 1.00 0.09 C ATOM 887 C VAL A 57 7.087 0.076 3.187 1.00 0.07 C ATOM 888 O VAL A 57 6.959 1.195 2.728 1.00 0.14 O ATOM 889 CB VAL A 57 6.079 -1.632 1.678 1.00 0.09 C ATOM 890 CG1 VAL A 57 7.438 -2.334 1.560 1.00 0.14 C ATOM 891 CG2 VAL A 57 4.965 -2.667 1.527 1.00 0.27 C ATOM 0 H VAL A 57 4.296 0.185 2.358 1.00 0.12 H new ATOM 0 HA VAL A 57 6.080 -1.701 3.846 1.00 0.09 H new ATOM 0 HB VAL A 57 5.986 -0.876 0.898 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.518 -2.810 0.583 1.00 0.14 H new ATOM 0 HG12 VAL A 57 8.237 -1.601 1.673 1.00 0.14 H new ATOM 0 HG13 VAL A 57 7.526 -3.090 2.340 1.00 0.14 H new ATOM 0 HG21 VAL A 57 5.041 -3.144 0.550 1.00 0.27 H new ATOM 0 HG22 VAL A 57 5.061 -3.422 2.307 1.00 0.27 H new ATOM 0 HG23 VAL A 57 3.997 -2.175 1.616 1.00 0.27 H new ATOM 901 N ASP A 58 8.159 -0.326 3.818 1.00 0.09 N ATOM 902 CA ASP A 58 9.312 0.604 3.988 1.00 0.12 C ATOM 903 C ASP A 58 10.404 0.272 2.965 1.00 0.14 C ATOM 904 O ASP A 58 10.934 -0.822 2.956 1.00 0.27 O ATOM 905 CB ASP A 58 9.870 0.440 5.398 1.00 0.19 C ATOM 906 CG ASP A 58 10.940 1.502 5.644 1.00 0.31 C ATOM 907 OD1 ASP A 58 10.897 2.491 4.931 1.00 0.94 O ATOM 908 OD2 ASP A 58 11.742 1.267 6.534 1.00 1.17 O ATOM 0 H ASP A 58 8.285 -1.254 4.221 1.00 0.09 H new ATOM 0 HA ASP A 58 8.981 1.631 3.833 1.00 0.12 H new ATOM 0 HB2 ASP A 58 9.070 0.537 6.132 1.00 0.19 H new ATOM 0 HB3 ASP A 58 10.295 -0.556 5.520 1.00 0.19 H new ATOM 913 N VAL A 59 10.720 1.220 2.128 1.00 0.14 N ATOM 914 CA VAL A 59 11.772 0.962 1.100 1.00 0.14 C ATOM 915 C VAL A 59 13.168 1.025 1.731 1.00 0.14 C ATOM 916 O VAL A 59 14.089 1.568 1.155 1.00 0.34 O ATOM 917 CB VAL A 59 11.662 2.010 -0.006 1.00 0.16 C ATOM 918 CG1 VAL A 59 10.371 1.776 -0.793 1.00 0.19 C ATOM 919 CG2 VAL A 59 11.626 3.409 0.617 1.00 0.12 C ATOM 0 H VAL A 59 10.303 2.151 2.108 1.00 0.14 H new ATOM 0 HA VAL A 59 11.624 -0.034 0.684 1.00 0.14 H new ATOM 0 HB VAL A 59 12.521 1.930 -0.672 1.00 0.16 H new ATOM 0 HG11 VAL A 59 10.287 2.521 -1.584 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.389 0.779 -1.234 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.516 1.861 -0.123 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.548 4.157 -0.172 1.00 0.12 H new ATOM 0 HG22 VAL A 59 10.765 3.490 1.280 1.00 0.12 H new ATOM 0 HG23 VAL A 59 12.540 3.577 1.187 1.00 0.12 H new ATOM 929 N ASP A 60 13.290 0.465 2.904 1.00 0.47 N ATOM 930 CA ASP A 60 14.616 0.472 3.591 1.00 0.58 C ATOM 931 C ASP A 60 14.837 -0.865 4.302 1.00 0.50 C ATOM 932 O ASP A 60 15.859 -1.499 4.136 1.00 0.68 O ATOM 933 CB ASP A 60 14.648 1.607 4.613 1.00 0.61 C ATOM 934 CG ASP A 60 16.016 1.631 5.298 1.00 0.80 C ATOM 935 OD1 ASP A 60 16.971 1.901 4.590 1.00 1.57 O ATOM 936 OD2 ASP A 60 16.028 1.378 6.491 1.00 1.63 O ATOM 0 H ASP A 60 12.536 0.006 3.414 1.00 0.47 H new ATOM 0 HA ASP A 60 15.406 0.620 2.855 1.00 0.58 H new ATOM 0 HB2 ASP A 60 14.458 2.561 4.121 1.00 0.61 H new ATOM 0 HB3 ASP A 60 13.860 1.468 5.353 1.00 0.61 H new ATOM 941 N ASP A 61 13.866 -1.263 5.079 1.00 0.27 N ATOM 942 CA ASP A 61 13.990 -2.560 5.805 1.00 0.34 C ATOM 943 C ASP A 61 13.237 -3.654 5.044 1.00 0.42 C ATOM 944 O ASP A 61 13.118 -4.770 5.507 1.00 0.87 O ATOM 945 CB ASP A 61 13.391 -2.406 7.204 1.00 0.28 C ATOM 946 CG ASP A 61 13.392 -3.765 7.910 1.00 0.47 C ATOM 947 OD1 ASP A 61 14.483 -4.213 8.221 1.00 0.51 O ATOM 948 OD2 ASP A 61 12.301 -4.276 8.099 1.00 1.29 O ATOM 0 H ASP A 61 12.999 -0.751 5.242 1.00 0.27 H new ATOM 0 HA ASP A 61 15.041 -2.838 5.880 1.00 0.34 H new ATOM 0 HB2 ASP A 61 13.968 -1.684 7.781 1.00 0.28 H new ATOM 0 HB3 ASP A 61 12.374 -2.020 7.136 1.00 0.28 H new ATOM 953 N CYS A 62 12.745 -3.307 3.884 1.00 0.24 N ATOM 954 CA CYS A 62 11.994 -4.312 3.080 1.00 0.21 C ATOM 955 C CYS A 62 12.235 -4.087 1.584 1.00 0.25 C ATOM 956 O CYS A 62 11.420 -4.451 0.761 1.00 0.40 O ATOM 957 CB CYS A 62 10.503 -4.175 3.383 1.00 0.16 C ATOM 958 SG CYS A 62 10.041 -3.628 5.046 1.00 0.14 S ATOM 0 H CYS A 62 12.830 -2.382 3.463 1.00 0.24 H new ATOM 0 HA CYS A 62 12.339 -5.312 3.342 1.00 0.21 H new ATOM 0 HB2 CYS A 62 10.076 -3.473 2.666 1.00 0.16 H new ATOM 0 HB3 CYS A 62 10.032 -5.141 3.203 1.00 0.16 H new ATOM 0 HG CYS A 62 8.746 -3.562 5.137 1.00 0.14 H new ATOM 964 N GLN A 63 13.351 -3.489 1.263 1.00 0.27 N ATOM 965 CA GLN A 63 13.655 -3.240 -0.171 1.00 0.36 C ATOM 966 C GLN A 63 13.483 -4.531 -0.968 1.00 0.29 C ATOM 967 O GLN A 63 13.398 -4.513 -2.180 1.00 0.37 O ATOM 968 CB GLN A 63 15.093 -2.742 -0.305 1.00 0.47 C ATOM 969 CG GLN A 63 16.049 -3.823 0.203 1.00 1.58 C ATOM 970 CD GLN A 63 16.808 -4.424 -0.982 1.00 2.70 C ATOM 971 OE1 GLN A 63 16.696 -5.597 -1.276 1.00 3.81 O ATOM 972 NE2 GLN A 63 17.593 -3.655 -1.687 1.00 2.79 N ATOM 0 H GLN A 63 14.057 -3.166 1.925 1.00 0.27 H new ATOM 0 HA GLN A 63 12.970 -2.486 -0.560 1.00 0.36 H new ATOM 0 HB2 GLN A 63 15.313 -2.505 -1.346 1.00 0.47 H new ATOM 0 HB3 GLN A 63 15.227 -1.823 0.266 1.00 0.47 H new ATOM 0 HG2 GLN A 63 16.750 -3.397 0.920 1.00 1.58 H new ATOM 0 HG3 GLN A 63 15.492 -4.601 0.725 1.00 1.58 H new ATOM 0 HE21 GLN A 63 17.692 -2.669 -1.446 1.00 2.79 H new ATOM 0 HE22 GLN A 63 18.107 -4.040 -2.479 1.00 2.79 H new ATOM 981 N ASP A 64 13.435 -5.626 -0.264 1.00 0.16 N ATOM 982 CA ASP A 64 13.265 -6.930 -0.951 1.00 0.09 C ATOM 983 C ASP A 64 11.914 -6.965 -1.649 1.00 0.14 C ATOM 984 O ASP A 64 11.778 -7.483 -2.739 1.00 0.27 O ATOM 985 CB ASP A 64 13.338 -8.054 0.080 1.00 0.07 C ATOM 986 CG ASP A 64 12.706 -7.579 1.392 1.00 0.18 C ATOM 987 OD1 ASP A 64 11.635 -7.002 1.299 1.00 0.86 O ATOM 988 OD2 ASP A 64 13.331 -7.821 2.412 1.00 0.86 O ATOM 0 H ASP A 64 13.506 -5.672 0.752 1.00 0.16 H new ATOM 0 HA ASP A 64 14.055 -7.060 -1.691 1.00 0.09 H new ATOM 0 HB2 ASP A 64 12.816 -8.937 -0.290 1.00 0.07 H new ATOM 0 HB3 ASP A 64 14.376 -8.343 0.247 1.00 0.07 H new ATOM 993 N VAL A 65 10.948 -6.406 -0.997 1.00 0.17 N ATOM 994 CA VAL A 65 9.589 -6.373 -1.578 1.00 0.18 C ATOM 995 C VAL A 65 9.494 -5.258 -2.609 1.00 0.17 C ATOM 996 O VAL A 65 8.888 -5.414 -3.649 1.00 0.19 O ATOM 997 CB VAL A 65 8.590 -6.132 -0.466 1.00 0.20 C ATOM 998 CG1 VAL A 65 7.176 -6.388 -0.990 1.00 0.24 C ATOM 999 CG2 VAL A 65 8.886 -7.092 0.688 1.00 0.24 C ATOM 0 H VAL A 65 11.040 -5.967 -0.081 1.00 0.17 H new ATOM 0 HA VAL A 65 9.374 -7.322 -2.069 1.00 0.18 H new ATOM 0 HB VAL A 65 8.667 -5.102 -0.118 1.00 0.20 H new ATOM 0 HG11 VAL A 65 6.455 -6.215 -0.191 1.00 0.24 H new ATOM 0 HG12 VAL A 65 6.967 -5.712 -1.819 1.00 0.24 H new ATOM 0 HG13 VAL A 65 7.096 -7.419 -1.334 1.00 0.24 H new ATOM 0 HG21 VAL A 65 8.171 -6.925 1.493 1.00 0.24 H new ATOM 0 HG22 VAL A 65 8.803 -8.120 0.336 1.00 0.24 H new ATOM 0 HG23 VAL A 65 9.896 -6.916 1.058 1.00 0.24 H new ATOM 1009 N ALA A 66 10.095 -4.155 -2.296 1.00 0.16 N ATOM 1010 CA ALA A 66 10.068 -3.016 -3.245 1.00 0.15 C ATOM 1011 C ALA A 66 10.724 -3.433 -4.558 1.00 0.16 C ATOM 1012 O ALA A 66 10.198 -3.202 -5.627 1.00 0.16 O ATOM 1013 CB ALA A 66 10.832 -1.838 -2.641 1.00 0.14 C ATOM 0 H ALA A 66 10.603 -3.990 -1.427 1.00 0.16 H new ATOM 0 HA ALA A 66 9.036 -2.721 -3.435 1.00 0.15 H new ATOM 0 HB1 ALA A 66 10.815 -0.998 -3.336 1.00 0.14 H new ATOM 0 HB2 ALA A 66 10.362 -1.542 -1.703 1.00 0.14 H new ATOM 0 HB3 ALA A 66 11.865 -2.132 -2.453 1.00 0.14 H new ATOM 1019 N SER A 67 11.859 -4.046 -4.441 1.00 0.16 N ATOM 1020 CA SER A 67 12.580 -4.499 -5.658 1.00 0.17 C ATOM 1021 C SER A 67 11.724 -5.499 -6.435 1.00 0.25 C ATOM 1022 O SER A 67 11.956 -5.750 -7.600 1.00 0.34 O ATOM 1023 CB SER A 67 13.893 -5.162 -5.246 1.00 0.16 C ATOM 1024 OG SER A 67 14.709 -4.082 -4.818 1.00 1.20 O ATOM 0 H SER A 67 12.322 -4.255 -3.556 1.00 0.16 H new ATOM 0 HA SER A 67 12.784 -3.639 -6.296 1.00 0.17 H new ATOM 0 HB2 SER A 67 13.740 -5.887 -4.446 1.00 0.16 H new ATOM 0 HB3 SER A 67 14.347 -5.698 -6.079 1.00 0.16 H new ATOM 0 HG SER A 67 14.538 -3.899 -3.871 1.00 1.20 H new ATOM 1030 N GLU A 68 10.750 -6.047 -5.768 1.00 0.23 N ATOM 1031 CA GLU A 68 9.863 -7.026 -6.439 1.00 0.30 C ATOM 1032 C GLU A 68 8.953 -6.297 -7.416 1.00 0.35 C ATOM 1033 O GLU A 68 8.667 -6.779 -8.494 1.00 0.45 O ATOM 1034 CB GLU A 68 9.022 -7.746 -5.384 1.00 0.38 C ATOM 1035 CG GLU A 68 8.497 -9.064 -5.956 1.00 0.46 C ATOM 1036 CD GLU A 68 7.505 -8.767 -7.083 1.00 1.90 C ATOM 1037 OE1 GLU A 68 6.427 -8.308 -6.746 1.00 2.63 O ATOM 1038 OE2 GLU A 68 7.881 -9.018 -8.216 1.00 2.56 O ATOM 0 H GLU A 68 10.532 -5.858 -4.790 1.00 0.23 H new ATOM 0 HA GLU A 68 10.462 -7.755 -6.984 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.623 -7.938 -4.495 1.00 0.38 H new ATOM 0 HB3 GLU A 68 8.189 -7.114 -5.076 1.00 0.38 H new ATOM 0 HG2 GLU A 68 9.324 -9.665 -6.333 1.00 0.46 H new ATOM 0 HG3 GLU A 68 8.011 -9.646 -5.173 1.00 0.46 H new ATOM 1045 N CYS A 69 8.518 -5.149 -7.009 1.00 0.29 N ATOM 1046 CA CYS A 69 7.635 -4.341 -7.890 1.00 0.35 C ATOM 1047 C CYS A 69 8.499 -3.488 -8.817 1.00 0.32 C ATOM 1048 O CYS A 69 7.999 -2.730 -9.626 1.00 0.40 O ATOM 1049 CB CYS A 69 6.758 -3.438 -7.025 1.00 0.36 C ATOM 1050 SG CYS A 69 5.347 -4.204 -6.192 1.00 0.49 S ATOM 0 H CYS A 69 8.733 -4.730 -6.104 1.00 0.29 H new ATOM 0 HA CYS A 69 7.002 -4.997 -8.488 1.00 0.35 H new ATOM 0 HB2 CYS A 69 7.391 -2.981 -6.265 1.00 0.36 H new ATOM 0 HB3 CYS A 69 6.381 -2.631 -7.654 1.00 0.36 H new ATOM 0 HG CYS A 69 4.266 -3.988 -6.882 1.00 0.49 H new ATOM 1056 N GLU A 70 9.788 -3.635 -8.672 1.00 0.24 N ATOM 1057 CA GLU A 70 10.726 -2.856 -9.526 1.00 0.25 C ATOM 1058 C GLU A 70 10.406 -1.362 -9.448 1.00 0.27 C ATOM 1059 O GLU A 70 10.353 -0.684 -10.455 1.00 0.35 O ATOM 1060 CB GLU A 70 10.604 -3.333 -10.973 1.00 0.33 C ATOM 1061 CG GLU A 70 11.344 -4.664 -11.125 1.00 0.87 C ATOM 1062 CD GLU A 70 12.737 -4.404 -11.701 1.00 1.82 C ATOM 1063 OE1 GLU A 70 12.827 -4.398 -12.918 1.00 1.63 O ATOM 1064 OE2 GLU A 70 13.633 -4.226 -10.892 1.00 3.34 O ATOM 0 H GLU A 70 10.231 -4.261 -7.999 1.00 0.24 H new ATOM 0 HA GLU A 70 11.744 -3.012 -9.169 1.00 0.25 H new ATOM 0 HB2 GLU A 70 9.555 -3.453 -11.242 1.00 0.33 H new ATOM 0 HB3 GLU A 70 11.024 -2.590 -11.651 1.00 0.33 H new ATOM 0 HG2 GLU A 70 11.424 -5.161 -10.158 1.00 0.87 H new ATOM 0 HG3 GLU A 70 10.785 -5.331 -11.781 1.00 0.87 H new ATOM 1071 N VAL A 71 10.200 -0.877 -8.254 1.00 0.21 N ATOM 1072 CA VAL A 71 9.895 0.577 -8.109 1.00 0.22 C ATOM 1073 C VAL A 71 11.196 1.379 -8.043 1.00 0.27 C ATOM 1074 O VAL A 71 12.220 0.876 -7.627 1.00 0.40 O ATOM 1075 CB VAL A 71 9.099 0.813 -6.827 1.00 0.18 C ATOM 1076 CG1 VAL A 71 8.037 1.883 -7.078 1.00 0.30 C ATOM 1077 CG2 VAL A 71 8.410 -0.488 -6.412 1.00 0.31 C ATOM 0 H VAL A 71 10.228 -1.412 -7.386 1.00 0.21 H new ATOM 0 HA VAL A 71 9.310 0.901 -8.970 1.00 0.22 H new ATOM 0 HB VAL A 71 9.773 1.142 -6.036 1.00 0.18 H new ATOM 0 HG11 VAL A 71 7.468 2.052 -6.164 1.00 0.30 H new ATOM 0 HG12 VAL A 71 8.521 2.811 -7.382 1.00 0.30 H new ATOM 0 HG13 VAL A 71 7.364 1.549 -7.868 1.00 0.30 H new ATOM 0 HG21 VAL A 71 7.841 -0.323 -5.497 1.00 0.31 H new ATOM 0 HG22 VAL A 71 7.736 -0.812 -7.205 1.00 0.31 H new ATOM 0 HG23 VAL A 71 9.161 -1.258 -6.238 1.00 0.31 H new ATOM 1087 N LYS A 72 11.123 2.611 -8.455 1.00 0.32 N ATOM 1088 CA LYS A 72 12.341 3.469 -8.420 1.00 0.45 C ATOM 1089 C LYS A 72 11.946 4.910 -8.095 1.00 0.31 C ATOM 1090 O LYS A 72 12.660 5.842 -8.409 1.00 0.33 O ATOM 1091 CB LYS A 72 13.031 3.419 -9.781 1.00 0.75 C ATOM 1092 CG LYS A 72 14.481 2.965 -9.588 1.00 1.18 C ATOM 1093 CD LYS A 72 15.169 2.892 -10.951 1.00 1.09 C ATOM 1094 CE LYS A 72 16.514 2.179 -10.795 1.00 1.74 C ATOM 1095 NZ LYS A 72 17.287 2.238 -12.068 1.00 2.11 N ATOM 0 H LYS A 72 10.280 3.061 -8.812 1.00 0.32 H new ATOM 0 HA LYS A 72 13.023 3.104 -7.652 1.00 0.45 H new ATOM 0 HB2 LYS A 72 12.506 2.731 -10.444 1.00 0.75 H new ATOM 0 HB3 LYS A 72 13.004 4.401 -10.253 1.00 0.75 H new ATOM 0 HG2 LYS A 72 15.009 3.662 -8.937 1.00 1.18 H new ATOM 0 HG3 LYS A 72 14.508 1.990 -9.101 1.00 1.18 H new ATOM 0 HD2 LYS A 72 14.540 2.356 -11.662 1.00 1.09 H new ATOM 0 HD3 LYS A 72 15.319 3.895 -11.351 1.00 1.09 H new ATOM 0 HE2 LYS A 72 17.087 2.643 -9.993 1.00 1.74 H new ATOM 0 HE3 LYS A 72 16.350 1.140 -10.510 1.00 1.74 H new ATOM 0 HZ1 LYS A 72 18.197 1.750 -11.945 1.00 2.11 H new ATOM 0 HZ2 LYS A 72 16.745 1.775 -12.825 1.00 2.11 H new ATOM 0 HZ3 LYS A 72 17.459 3.231 -12.324 1.00 2.11 H new ATOM 1109 N CYS A 73 10.813 5.059 -7.466 1.00 0.21 N ATOM 1110 CA CYS A 73 10.348 6.431 -7.109 1.00 0.20 C ATOM 1111 C CYS A 73 9.208 6.351 -6.099 1.00 0.21 C ATOM 1112 O CYS A 73 8.223 5.676 -6.321 1.00 0.21 O ATOM 1113 CB CYS A 73 9.865 7.142 -8.373 1.00 0.23 C ATOM 1114 SG CYS A 73 8.795 6.208 -9.495 1.00 0.18 S ATOM 0 H CYS A 73 10.193 4.299 -7.185 1.00 0.21 H new ATOM 0 HA CYS A 73 11.174 6.988 -6.665 1.00 0.20 H new ATOM 0 HB2 CYS A 73 9.331 8.043 -8.070 1.00 0.23 H new ATOM 0 HB3 CYS A 73 10.742 7.465 -8.934 1.00 0.23 H new ATOM 0 HG CYS A 73 8.475 6.954 -10.511 1.00 0.18 H new ATOM 1120 N THR A 74 9.372 7.052 -5.008 1.00 0.23 N ATOM 1121 CA THR A 74 8.322 7.038 -3.948 1.00 0.23 C ATOM 1122 C THR A 74 7.651 8.430 -3.859 1.00 0.23 C ATOM 1123 O THR A 74 8.252 9.423 -4.219 1.00 0.24 O ATOM 1124 CB THR A 74 9.009 6.707 -2.615 1.00 0.23 C ATOM 1125 OG1 THR A 74 10.218 7.460 -2.640 1.00 0.23 O ATOM 1126 CG2 THR A 74 9.450 5.249 -2.569 1.00 0.23 C ATOM 0 H THR A 74 10.186 7.632 -4.806 1.00 0.23 H new ATOM 0 HA THR A 74 7.556 6.298 -4.178 1.00 0.23 H new ATOM 0 HB THR A 74 8.337 6.914 -1.782 1.00 0.23 H new ATOM 0 HG1 THR A 74 10.719 7.302 -1.813 1.00 0.23 H new ATOM 0 HG21 THR A 74 9.933 5.045 -1.613 1.00 0.23 H new ATOM 0 HG22 THR A 74 8.580 4.602 -2.681 1.00 0.23 H new ATOM 0 HG23 THR A 74 10.153 5.056 -3.379 1.00 0.23 H new ATOM 1134 N PRO A 75 6.411 8.480 -3.381 1.00 0.23 N ATOM 1135 CA PRO A 75 5.629 7.299 -2.949 1.00 0.21 C ATOM 1136 C PRO A 75 5.030 6.566 -4.161 1.00 0.21 C ATOM 1137 O PRO A 75 4.768 7.171 -5.187 1.00 0.21 O ATOM 1138 CB PRO A 75 4.497 7.877 -2.098 1.00 0.20 C ATOM 1139 CG PRO A 75 4.483 9.419 -2.341 1.00 0.21 C ATOM 1140 CD PRO A 75 5.722 9.760 -3.191 1.00 0.23 C ATOM 0 HA PRO A 75 6.247 6.581 -2.411 1.00 0.21 H new ATOM 0 HB2 PRO A 75 3.541 7.434 -2.377 1.00 0.20 H new ATOM 0 HB3 PRO A 75 4.656 7.655 -1.043 1.00 0.20 H new ATOM 0 HG2 PRO A 75 3.570 9.719 -2.855 1.00 0.21 H new ATOM 0 HG3 PRO A 75 4.507 9.958 -1.394 1.00 0.21 H new ATOM 0 HD2 PRO A 75 5.437 10.201 -4.146 1.00 0.23 H new ATOM 0 HD3 PRO A 75 6.362 10.482 -2.685 1.00 0.23 H new ATOM 1148 N THR A 76 4.826 5.279 -4.013 1.00 0.20 N ATOM 1149 CA THR A 76 4.231 4.487 -5.132 1.00 0.19 C ATOM 1150 C THR A 76 3.066 3.647 -4.600 1.00 0.19 C ATOM 1151 O THR A 76 3.228 2.874 -3.676 1.00 0.19 O ATOM 1152 CB THR A 76 5.303 3.574 -5.735 1.00 0.19 C ATOM 1153 OG1 THR A 76 6.194 4.460 -6.405 1.00 0.19 O ATOM 1154 CG2 THR A 76 4.732 2.675 -6.832 1.00 0.33 C ATOM 0 H THR A 76 5.045 4.747 -3.171 1.00 0.20 H new ATOM 0 HA THR A 76 3.860 5.162 -5.904 1.00 0.19 H new ATOM 0 HB THR A 76 5.743 2.954 -4.954 1.00 0.19 H new ATOM 0 HG1 THR A 76 7.059 4.464 -5.945 1.00 0.19 H new ATOM 0 HG21 THR A 76 5.524 2.043 -7.234 1.00 0.33 H new ATOM 0 HG22 THR A 76 3.944 2.048 -6.415 1.00 0.33 H new ATOM 0 HG23 THR A 76 4.320 3.292 -7.630 1.00 0.33 H new ATOM 1162 N PHE A 77 1.915 3.818 -5.197 1.00 0.19 N ATOM 1163 CA PHE A 77 0.721 3.052 -4.726 1.00 0.19 C ATOM 1164 C PHE A 77 0.447 1.852 -5.630 1.00 0.20 C ATOM 1165 O PHE A 77 0.410 1.978 -6.837 1.00 0.23 O ATOM 1166 CB PHE A 77 -0.491 3.973 -4.741 1.00 0.19 C ATOM 1167 CG PHE A 77 -0.413 4.916 -3.547 1.00 0.17 C ATOM 1168 CD1 PHE A 77 -0.594 4.430 -2.269 1.00 0.16 C ATOM 1169 CD2 PHE A 77 -0.161 6.265 -3.728 1.00 0.17 C ATOM 1170 CE1 PHE A 77 -0.527 5.280 -1.183 1.00 0.15 C ATOM 1171 CE2 PHE A 77 -0.092 7.113 -2.643 1.00 0.16 C ATOM 1172 CZ PHE A 77 -0.275 6.620 -1.371 1.00 0.15 C ATOM 0 H PHE A 77 1.750 4.448 -5.982 1.00 0.19 H new ATOM 0 HA PHE A 77 0.915 2.687 -3.717 1.00 0.19 H new ATOM 0 HB2 PHE A 77 -0.519 4.543 -5.670 1.00 0.19 H new ATOM 0 HB3 PHE A 77 -1.409 3.387 -4.699 1.00 0.19 H new ATOM 0 HD1 PHE A 77 -0.789 3.379 -2.117 1.00 0.16 H new ATOM 0 HD2 PHE A 77 -0.018 6.655 -4.725 1.00 0.17 H new ATOM 0 HE1 PHE A 77 -0.672 4.893 -0.185 1.00 0.15 H new ATOM 0 HE2 PHE A 77 0.106 8.164 -2.791 1.00 0.16 H new ATOM 0 HZ PHE A 77 -0.221 7.284 -0.521 1.00 0.15 H new ATOM 1182 N GLN A 78 0.260 0.712 -5.014 1.00 0.20 N ATOM 1183 CA GLN A 78 -0.036 -0.524 -5.812 1.00 0.20 C ATOM 1184 C GLN A 78 -1.343 -1.167 -5.333 1.00 0.16 C ATOM 1185 O GLN A 78 -1.736 -1.011 -4.193 1.00 0.18 O ATOM 1186 CB GLN A 78 1.109 -1.522 -5.654 1.00 0.25 C ATOM 1187 CG GLN A 78 2.388 -0.955 -6.299 1.00 0.58 C ATOM 1188 CD GLN A 78 3.105 -2.060 -7.084 1.00 0.63 C ATOM 1189 OE1 GLN A 78 2.912 -3.236 -6.845 1.00 1.17 O ATOM 1190 NE2 GLN A 78 3.943 -1.724 -8.026 1.00 1.40 N ATOM 0 H GLN A 78 0.298 0.581 -4.003 1.00 0.20 H new ATOM 0 HA GLN A 78 -0.141 -0.248 -6.861 1.00 0.20 H new ATOM 0 HB2 GLN A 78 1.283 -1.726 -4.597 1.00 0.25 H new ATOM 0 HB3 GLN A 78 0.844 -2.470 -6.122 1.00 0.25 H new ATOM 0 HG2 GLN A 78 2.136 -0.129 -6.964 1.00 0.58 H new ATOM 0 HG3 GLN A 78 3.048 -0.555 -5.529 1.00 0.58 H new ATOM 0 HE21 GLN A 78 4.110 -0.739 -8.232 1.00 1.40 H new ATOM 0 HE22 GLN A 78 4.431 -2.446 -8.556 1.00 1.40 H new ATOM 1199 N PHE A 79 -1.981 -1.880 -6.228 1.00 0.11 N ATOM 1200 CA PHE A 79 -3.274 -2.545 -5.877 1.00 0.09 C ATOM 1201 C PHE A 79 -3.126 -4.068 -5.984 1.00 0.12 C ATOM 1202 O PHE A 79 -2.706 -4.572 -7.007 1.00 0.16 O ATOM 1203 CB PHE A 79 -4.352 -2.084 -6.870 1.00 0.04 C ATOM 1204 CG PHE A 79 -4.758 -0.628 -6.582 1.00 0.06 C ATOM 1205 CD1 PHE A 79 -3.837 0.403 -6.695 1.00 0.10 C ATOM 1206 CD2 PHE A 79 -6.059 -0.324 -6.209 1.00 0.06 C ATOM 1207 CE1 PHE A 79 -4.212 1.708 -6.436 1.00 0.15 C ATOM 1208 CE2 PHE A 79 -6.427 0.980 -5.952 1.00 0.10 C ATOM 1209 CZ PHE A 79 -5.506 1.993 -6.066 1.00 0.15 C ATOM 0 H PHE A 79 -1.663 -2.030 -7.185 1.00 0.11 H new ATOM 0 HA PHE A 79 -3.552 -2.279 -4.857 1.00 0.09 H new ATOM 0 HB2 PHE A 79 -3.976 -2.169 -7.890 1.00 0.04 H new ATOM 0 HB3 PHE A 79 -5.225 -2.733 -6.797 1.00 0.04 H new ATOM 0 HD1 PHE A 79 -2.820 0.185 -6.987 1.00 0.10 H new ATOM 0 HD2 PHE A 79 -6.789 -1.115 -6.119 1.00 0.06 H new ATOM 0 HE1 PHE A 79 -3.488 2.505 -6.524 1.00 0.15 H new ATOM 0 HE2 PHE A 79 -7.442 1.205 -5.660 1.00 0.10 H new ATOM 0 HZ PHE A 79 -5.798 3.013 -5.865 1.00 0.15 H new ATOM 1219 N PHE A 80 -3.470 -4.768 -4.925 1.00 0.13 N ATOM 1220 CA PHE A 80 -3.367 -6.261 -4.962 1.00 0.16 C ATOM 1221 C PHE A 80 -4.721 -6.881 -4.606 1.00 0.19 C ATOM 1222 O PHE A 80 -5.493 -6.310 -3.858 1.00 0.19 O ATOM 1223 CB PHE A 80 -2.312 -6.723 -3.954 1.00 0.20 C ATOM 1224 CG PHE A 80 -0.922 -6.304 -4.434 1.00 0.23 C ATOM 1225 CD1 PHE A 80 -0.258 -7.036 -5.403 1.00 0.27 C ATOM 1226 CD2 PHE A 80 -0.312 -5.187 -3.902 1.00 0.25 C ATOM 1227 CE1 PHE A 80 0.999 -6.651 -5.827 1.00 0.31 C ATOM 1228 CE2 PHE A 80 0.942 -4.806 -4.327 1.00 0.30 C ATOM 1229 CZ PHE A 80 1.596 -5.536 -5.288 1.00 0.33 C ATOM 0 H PHE A 80 -3.813 -4.374 -4.049 1.00 0.13 H new ATOM 0 HA PHE A 80 -3.078 -6.579 -5.964 1.00 0.16 H new ATOM 0 HB2 PHE A 80 -2.516 -6.289 -2.975 1.00 0.20 H new ATOM 0 HB3 PHE A 80 -2.356 -7.806 -3.838 1.00 0.20 H new ATOM 0 HD1 PHE A 80 -0.725 -7.912 -5.829 1.00 0.27 H new ATOM 0 HD2 PHE A 80 -0.821 -4.607 -3.147 1.00 0.25 H new ATOM 0 HE1 PHE A 80 1.513 -7.226 -6.583 1.00 0.31 H new ATOM 0 HE2 PHE A 80 1.412 -3.931 -3.903 1.00 0.30 H new ATOM 0 HZ PHE A 80 2.578 -5.235 -5.620 1.00 0.33 H new ATOM 1239 N LYS A 81 -4.987 -8.031 -5.158 1.00 0.31 N ATOM 1240 CA LYS A 81 -6.285 -8.705 -4.861 1.00 0.37 C ATOM 1241 C LYS A 81 -6.197 -10.189 -5.226 1.00 0.09 C ATOM 1242 O LYS A 81 -5.724 -10.540 -6.285 1.00 0.29 O ATOM 1243 CB LYS A 81 -7.391 -8.039 -5.680 1.00 0.66 C ATOM 1244 CG LYS A 81 -8.737 -8.674 -5.323 1.00 0.58 C ATOM 1245 CD LYS A 81 -9.863 -7.734 -5.759 1.00 0.87 C ATOM 1246 CE LYS A 81 -11.199 -8.475 -5.672 1.00 0.94 C ATOM 1247 NZ LYS A 81 -11.284 -9.248 -4.401 1.00 2.59 N ATOM 0 H LYS A 81 -4.369 -8.532 -5.797 1.00 0.31 H new ATOM 0 HA LYS A 81 -6.508 -8.615 -3.798 1.00 0.37 H new ATOM 0 HB2 LYS A 81 -7.416 -6.968 -5.476 1.00 0.66 H new ATOM 0 HB3 LYS A 81 -7.192 -8.156 -6.745 1.00 0.66 H new ATOM 0 HG2 LYS A 81 -8.840 -9.640 -5.817 1.00 0.58 H new ATOM 0 HG3 LYS A 81 -8.794 -8.857 -4.250 1.00 0.58 H new ATOM 0 HD2 LYS A 81 -9.882 -6.850 -5.122 1.00 0.87 H new ATOM 0 HD3 LYS A 81 -9.691 -7.389 -6.778 1.00 0.87 H new ATOM 0 HE2 LYS A 81 -12.022 -7.762 -5.727 1.00 0.94 H new ATOM 0 HE3 LYS A 81 -11.304 -9.149 -6.522 1.00 0.94 H new ATOM 0 HZ1 LYS A 81 -12.282 -9.373 -4.137 1.00 2.59 H new ATOM 0 HZ2 LYS A 81 -10.841 -10.180 -4.531 1.00 2.59 H new ATOM 0 HZ3 LYS A 81 -10.788 -8.731 -3.647 1.00 2.59 H new ATOM 1261 N LYS A 82 -6.657 -11.028 -4.341 1.00 0.28 N ATOM 1262 CA LYS A 82 -6.597 -12.492 -4.625 1.00 0.56 C ATOM 1263 C LYS A 82 -5.147 -12.978 -4.549 1.00 0.43 C ATOM 1264 O LYS A 82 -4.875 -14.154 -4.700 1.00 0.47 O ATOM 1265 CB LYS A 82 -7.151 -12.755 -6.020 1.00 0.86 C ATOM 1266 CG LYS A 82 -7.864 -14.110 -6.032 1.00 1.42 C ATOM 1267 CD LYS A 82 -9.319 -13.923 -5.595 1.00 0.34 C ATOM 1268 CE LYS A 82 -9.919 -15.289 -5.252 1.00 0.68 C ATOM 1269 NZ LYS A 82 -11.406 -15.242 -5.331 1.00 1.21 N ATOM 0 H LYS A 82 -7.067 -10.770 -3.444 1.00 0.28 H new ATOM 0 HA LYS A 82 -7.191 -13.029 -3.886 1.00 0.56 H new ATOM 0 HB2 LYS A 82 -7.844 -11.963 -6.304 1.00 0.86 H new ATOM 0 HB3 LYS A 82 -6.343 -12.749 -6.752 1.00 0.86 H new ATOM 0 HG2 LYS A 82 -7.826 -14.545 -7.031 1.00 1.42 H new ATOM 0 HG3 LYS A 82 -7.358 -14.805 -5.362 1.00 1.42 H new ATOM 0 HD2 LYS A 82 -9.370 -13.262 -4.730 1.00 0.34 H new ATOM 0 HD3 LYS A 82 -9.893 -13.450 -6.392 1.00 0.34 H new ATOM 0 HE2 LYS A 82 -9.536 -16.043 -5.939 1.00 0.68 H new ATOM 0 HE3 LYS A 82 -9.612 -15.586 -4.249 1.00 0.68 H new ATOM 0 HZ1 LYS A 82 -11.781 -16.210 -5.400 1.00 1.21 H new ATOM 0 HZ2 LYS A 82 -11.785 -14.784 -4.478 1.00 1.21 H new ATOM 0 HZ3 LYS A 82 -11.692 -14.699 -6.171 1.00 1.21 H new ATOM 1283 N GLY A 83 -4.246 -12.055 -4.319 1.00 0.35 N ATOM 1284 CA GLY A 83 -2.805 -12.433 -4.225 1.00 0.42 C ATOM 1285 C GLY A 83 -2.056 -12.038 -5.502 1.00 0.48 C ATOM 1286 O GLY A 83 -1.010 -12.580 -5.799 1.00 0.63 O ATOM 0 H GLY A 83 -4.446 -11.063 -4.193 1.00 0.35 H new ATOM 0 HA2 GLY A 83 -2.351 -11.942 -3.365 1.00 0.42 H new ATOM 0 HA3 GLY A 83 -2.716 -13.507 -4.063 1.00 0.42 H new ATOM 1290 N GLN A 84 -2.605 -11.103 -6.231 1.00 0.52 N ATOM 1291 CA GLN A 84 -1.924 -10.666 -7.488 1.00 0.81 C ATOM 1292 C GLN A 84 -2.148 -9.168 -7.723 1.00 0.70 C ATOM 1293 O GLN A 84 -3.065 -8.583 -7.182 1.00 0.86 O ATOM 1294 CB GLN A 84 -2.483 -11.463 -8.668 1.00 1.09 C ATOM 1295 CG GLN A 84 -4.010 -11.426 -8.624 1.00 1.00 C ATOM 1296 CD GLN A 84 -4.558 -11.527 -10.047 1.00 1.38 C ATOM 1297 OE1 GLN A 84 -4.179 -12.393 -10.810 1.00 0.84 O ATOM 1298 NE2 GLN A 84 -5.450 -10.662 -10.446 1.00 2.70 N ATOM 0 H GLN A 84 -3.482 -10.628 -6.017 1.00 0.52 H new ATOM 0 HA GLN A 84 -0.853 -10.848 -7.395 1.00 0.81 H new ATOM 0 HB2 GLN A 84 -2.125 -11.043 -9.608 1.00 1.09 H new ATOM 0 HB3 GLN A 84 -2.131 -12.494 -8.625 1.00 1.09 H new ATOM 0 HG2 GLN A 84 -4.388 -12.249 -8.017 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -4.350 -10.502 -8.156 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -5.773 -9.932 -9.811 1.00 2.70 H new ATOM 0 HE22 GLN A 84 -5.824 -10.716 -11.393 1.00 2.70 H new ATOM 1307 N LYS A 85 -1.305 -8.584 -8.529 1.00 0.44 N ATOM 1308 CA LYS A 85 -1.438 -7.127 -8.808 1.00 0.32 C ATOM 1309 C LYS A 85 -2.538 -6.875 -9.847 1.00 0.28 C ATOM 1310 O LYS A 85 -2.748 -7.678 -10.737 1.00 0.35 O ATOM 1311 CB LYS A 85 -0.097 -6.614 -9.343 1.00 0.30 C ATOM 1312 CG LYS A 85 -0.043 -5.086 -9.261 1.00 0.29 C ATOM 1313 CD LYS A 85 1.417 -4.638 -9.355 1.00 0.33 C ATOM 1314 CE LYS A 85 2.005 -5.120 -10.683 1.00 0.26 C ATOM 1315 NZ LYS A 85 3.159 -4.265 -11.081 1.00 1.03 N ATOM 0 H LYS A 85 -0.533 -9.051 -9.005 1.00 0.44 H new ATOM 0 HA LYS A 85 -1.708 -6.603 -7.891 1.00 0.32 H new ATOM 0 HB2 LYS A 85 0.721 -7.045 -8.767 1.00 0.30 H new ATOM 0 HB3 LYS A 85 0.037 -6.935 -10.376 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -0.626 -4.644 -10.069 1.00 0.29 H new ATOM 0 HG3 LYS A 85 -0.484 -4.743 -8.325 1.00 0.29 H new ATOM 0 HD2 LYS A 85 1.482 -3.552 -9.287 1.00 0.33 H new ATOM 0 HD3 LYS A 85 1.989 -5.044 -8.521 1.00 0.33 H new ATOM 0 HE2 LYS A 85 2.328 -6.157 -10.590 1.00 0.26 H new ATOM 0 HE3 LYS A 85 1.239 -5.093 -11.458 1.00 0.26 H new ATOM 0 HZ1 LYS A 85 3.610 -4.664 -11.929 1.00 1.03 H new ATOM 0 HZ2 LYS A 85 2.823 -3.303 -11.288 1.00 1.03 H new ATOM 0 HZ3 LYS A 85 3.850 -4.231 -10.304 1.00 1.03 H new ATOM 1329 N VAL A 86 -3.215 -5.763 -9.707 1.00 0.29 N ATOM 1330 CA VAL A 86 -4.309 -5.431 -10.676 1.00 0.25 C ATOM 1331 C VAL A 86 -4.220 -3.959 -11.110 1.00 0.18 C ATOM 1332 O VAL A 86 -4.653 -3.602 -12.188 1.00 0.21 O ATOM 1333 CB VAL A 86 -5.660 -5.686 -10.010 1.00 0.34 C ATOM 1334 CG1 VAL A 86 -6.010 -7.169 -10.134 1.00 0.32 C ATOM 1335 CG2 VAL A 86 -5.572 -5.314 -8.529 1.00 0.41 C ATOM 0 H VAL A 86 -3.061 -5.074 -8.971 1.00 0.29 H new ATOM 0 HA VAL A 86 -4.202 -6.060 -11.560 1.00 0.25 H new ATOM 0 HB VAL A 86 -6.427 -5.083 -10.496 1.00 0.34 H new ATOM 0 HG11 VAL A 86 -6.974 -7.356 -9.660 1.00 0.32 H new ATOM 0 HG12 VAL A 86 -6.064 -7.443 -11.188 1.00 0.32 H new ATOM 0 HG13 VAL A 86 -5.242 -7.766 -9.643 1.00 0.32 H new ATOM 0 HG21 VAL A 86 -6.535 -5.495 -8.051 1.00 0.41 H new ATOM 0 HG22 VAL A 86 -4.807 -5.922 -8.046 1.00 0.41 H new ATOM 0 HG23 VAL A 86 -5.312 -4.260 -8.433 1.00 0.41 H new ATOM 1345 N GLY A 87 -3.661 -3.136 -10.263 1.00 0.14 N ATOM 1346 CA GLY A 87 -3.540 -1.690 -10.617 1.00 0.14 C ATOM 1347 C GLY A 87 -2.326 -1.075 -9.923 1.00 0.12 C ATOM 1348 O GLY A 87 -1.936 -1.507 -8.858 1.00 0.21 O ATOM 0 H GLY A 87 -3.286 -3.397 -9.351 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.445 -1.580 -11.697 1.00 0.14 H new ATOM 0 HA3 GLY A 87 -4.445 -1.159 -10.321 1.00 0.14 H new ATOM 1352 N GLU A 88 -1.745 -0.077 -10.537 1.00 0.15 N ATOM 1353 CA GLU A 88 -0.557 0.560 -9.899 1.00 0.13 C ATOM 1354 C GLU A 88 -0.243 1.919 -10.530 1.00 0.17 C ATOM 1355 O GLU A 88 -0.050 2.033 -11.725 1.00 0.20 O ATOM 1356 CB GLU A 88 0.652 -0.364 -10.059 1.00 0.15 C ATOM 1357 CG GLU A 88 0.791 -0.775 -11.529 1.00 0.93 C ATOM 1358 CD GLU A 88 2.177 -0.374 -12.038 1.00 0.96 C ATOM 1359 OE1 GLU A 88 3.069 -1.190 -11.878 1.00 0.77 O ATOM 1360 OE2 GLU A 88 2.264 0.726 -12.559 1.00 2.28 O ATOM 0 H GLU A 88 -2.034 0.317 -11.432 1.00 0.15 H new ATOM 0 HA GLU A 88 -0.779 0.720 -8.844 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.557 0.143 -9.725 1.00 0.15 H new ATOM 0 HB3 GLU A 88 0.533 -1.248 -9.433 1.00 0.15 H new ATOM 0 HG2 GLU A 88 0.650 -1.851 -11.632 1.00 0.93 H new ATOM 0 HG3 GLU A 88 0.018 -0.293 -12.128 1.00 0.93 H new ATOM 1367 N PHE A 89 -0.204 2.924 -9.699 1.00 0.21 N ATOM 1368 CA PHE A 89 0.118 4.284 -10.192 1.00 0.25 C ATOM 1369 C PHE A 89 0.928 5.036 -9.129 1.00 0.28 C ATOM 1370 O PHE A 89 0.621 4.974 -7.951 1.00 0.28 O ATOM 1371 CB PHE A 89 -1.190 5.004 -10.503 1.00 0.31 C ATOM 1372 CG PHE A 89 -1.754 5.687 -9.250 1.00 0.34 C ATOM 1373 CD1 PHE A 89 -1.232 6.889 -8.800 1.00 0.28 C ATOM 1374 CD2 PHE A 89 -2.803 5.109 -8.556 1.00 0.43 C ATOM 1375 CE1 PHE A 89 -1.754 7.498 -7.674 1.00 0.31 C ATOM 1376 CE2 PHE A 89 -3.321 5.720 -7.433 1.00 0.48 C ATOM 1377 CZ PHE A 89 -2.798 6.913 -6.992 1.00 0.41 C ATOM 0 H PHE A 89 -0.383 2.857 -8.697 1.00 0.21 H new ATOM 0 HA PHE A 89 0.721 4.235 -11.099 1.00 0.25 H new ATOM 0 HB2 PHE A 89 -1.023 5.747 -11.283 1.00 0.31 H new ATOM 0 HB3 PHE A 89 -1.918 4.292 -10.892 1.00 0.31 H new ATOM 0 HD1 PHE A 89 -0.414 7.352 -9.331 1.00 0.28 H new ATOM 0 HD2 PHE A 89 -3.219 4.172 -8.896 1.00 0.43 H new ATOM 0 HE1 PHE A 89 -1.342 8.435 -7.328 1.00 0.31 H new ATOM 0 HE2 PHE A 89 -4.139 5.260 -6.899 1.00 0.48 H new ATOM 0 HZ PHE A 89 -3.205 7.390 -6.113 1.00 0.41 H new ATOM 1387 N SER A 90 1.954 5.724 -9.565 1.00 0.29 N ATOM 1388 CA SER A 90 2.811 6.465 -8.589 1.00 0.31 C ATOM 1389 C SER A 90 2.472 7.955 -8.577 1.00 0.21 C ATOM 1390 O SER A 90 1.730 8.435 -9.411 1.00 0.21 O ATOM 1391 CB SER A 90 4.277 6.280 -8.975 1.00 0.45 C ATOM 1392 OG SER A 90 4.445 7.107 -10.116 1.00 0.50 O ATOM 0 H SER A 90 2.233 5.804 -10.543 1.00 0.29 H new ATOM 0 HA SER A 90 2.628 6.067 -7.591 1.00 0.31 H new ATOM 0 HB2 SER A 90 4.943 6.579 -8.165 1.00 0.45 H new ATOM 0 HB3 SER A 90 4.500 5.238 -9.203 1.00 0.45 H new ATOM 0 HG SER A 90 5.371 7.047 -10.430 1.00 0.50 H new ATOM 1398 N GLY A 91 3.036 8.650 -7.617 1.00 0.20 N ATOM 1399 CA GLY A 91 2.777 10.116 -7.504 1.00 0.15 C ATOM 1400 C GLY A 91 2.117 10.429 -6.161 1.00 0.14 C ATOM 1401 O GLY A 91 1.352 9.639 -5.644 1.00 0.20 O ATOM 0 H GLY A 91 3.662 8.264 -6.910 1.00 0.20 H new ATOM 0 HA2 GLY A 91 3.713 10.667 -7.596 1.00 0.15 H new ATOM 0 HA3 GLY A 91 2.133 10.444 -8.320 1.00 0.15 H new ATOM 1405 N ALA A 92 2.428 11.575 -5.620 1.00 0.25 N ATOM 1406 CA ALA A 92 1.821 11.955 -4.310 1.00 0.31 C ATOM 1407 C ALA A 92 0.345 12.328 -4.495 1.00 0.41 C ATOM 1408 O ALA A 92 -0.164 13.204 -3.824 1.00 0.88 O ATOM 1409 CB ALA A 92 2.581 13.149 -3.736 1.00 0.39 C ATOM 0 H ALA A 92 3.069 12.259 -6.022 1.00 0.25 H new ATOM 0 HA ALA A 92 1.885 11.108 -3.626 1.00 0.31 H new ATOM 0 HB1 ALA A 92 2.144 13.433 -2.779 1.00 0.39 H new ATOM 0 HB2 ALA A 92 3.627 12.879 -3.591 1.00 0.39 H new ATOM 0 HB3 ALA A 92 2.516 13.989 -4.428 1.00 0.39 H new ATOM 1415 N ASN A 93 -0.311 11.655 -5.401 1.00 0.53 N ATOM 1416 CA ASN A 93 -1.752 11.956 -5.637 1.00 0.58 C ATOM 1417 C ASN A 93 -2.619 11.151 -4.664 1.00 0.55 C ATOM 1418 O ASN A 93 -2.912 9.994 -4.894 1.00 0.86 O ATOM 1419 CB ASN A 93 -2.109 11.589 -7.079 1.00 0.61 C ATOM 1420 CG ASN A 93 -3.147 12.578 -7.610 1.00 0.65 C ATOM 1421 OD1 ASN A 93 -3.067 13.037 -8.731 1.00 0.62 O ATOM 1422 ND2 ASN A 93 -4.136 12.935 -6.837 1.00 0.77 N ATOM 0 H ASN A 93 0.084 10.916 -5.983 1.00 0.53 H new ATOM 0 HA ASN A 93 -1.936 13.018 -5.474 1.00 0.58 H new ATOM 0 HB2 ASN A 93 -1.216 11.611 -7.704 1.00 0.61 H new ATOM 0 HB3 ASN A 93 -2.503 10.573 -7.121 1.00 0.61 H new ATOM 0 HD21 ASN A 93 -4.835 13.596 -7.176 1.00 0.77 H new ATOM 0 HD22 ASN A 93 -4.210 12.553 -5.894 1.00 0.77 H new ATOM 1429 N LYS A 94 -3.008 11.779 -3.589 1.00 0.44 N ATOM 1430 CA LYS A 94 -3.849 11.061 -2.591 1.00 0.51 C ATOM 1431 C LYS A 94 -5.336 11.219 -2.933 1.00 0.36 C ATOM 1432 O LYS A 94 -6.135 10.352 -2.643 1.00 0.41 O ATOM 1433 CB LYS A 94 -3.579 11.637 -1.202 1.00 0.79 C ATOM 1434 CG LYS A 94 -3.945 13.122 -1.197 1.00 0.53 C ATOM 1435 CD LYS A 94 -2.843 13.909 -0.488 1.00 0.51 C ATOM 1436 CE LYS A 94 -3.241 15.385 -0.439 1.00 0.68 C ATOM 1437 NZ LYS A 94 -2.306 16.150 0.431 1.00 1.57 N ATOM 0 H LYS A 94 -2.783 12.747 -3.360 1.00 0.44 H new ATOM 0 HA LYS A 94 -3.598 10.001 -2.609 1.00 0.51 H new ATOM 0 HB2 LYS A 94 -4.164 11.103 -0.453 1.00 0.79 H new ATOM 0 HB3 LYS A 94 -2.529 11.507 -0.939 1.00 0.79 H new ATOM 0 HG2 LYS A 94 -4.066 13.482 -2.219 1.00 0.53 H new ATOM 0 HG3 LYS A 94 -4.899 13.272 -0.691 1.00 0.53 H new ATOM 0 HD2 LYS A 94 -2.695 13.525 0.521 1.00 0.51 H new ATOM 0 HD3 LYS A 94 -1.897 13.791 -1.016 1.00 0.51 H new ATOM 0 HE2 LYS A 94 -3.234 15.803 -1.446 1.00 0.68 H new ATOM 0 HE3 LYS A 94 -4.259 15.481 -0.061 1.00 0.68 H new ATOM 0 HZ1 LYS A 94 -2.224 17.125 0.080 1.00 1.57 H new ATOM 0 HZ2 LYS A 94 -2.670 16.162 1.405 1.00 1.57 H new ATOM 0 HZ3 LYS A 94 -1.370 15.697 0.417 1.00 1.57 H new ATOM 1451 N GLU A 95 -5.674 12.321 -3.539 1.00 0.44 N ATOM 1452 CA GLU A 95 -7.096 12.548 -3.902 1.00 0.36 C ATOM 1453 C GLU A 95 -7.547 11.519 -4.943 1.00 0.18 C ATOM 1454 O GLU A 95 -8.721 11.222 -5.058 1.00 0.42 O ATOM 1455 CB GLU A 95 -7.246 13.956 -4.474 1.00 0.43 C ATOM 1456 CG GLU A 95 -8.589 14.536 -4.028 1.00 0.54 C ATOM 1457 CD GLU A 95 -8.950 15.721 -4.925 1.00 0.66 C ATOM 1458 OE1 GLU A 95 -8.334 16.757 -4.728 1.00 0.87 O ATOM 1459 OE2 GLU A 95 -9.820 15.527 -5.756 1.00 1.74 O ATOM 0 H GLU A 95 -5.031 13.069 -3.797 1.00 0.44 H new ATOM 0 HA GLU A 95 -7.717 12.441 -3.012 1.00 0.36 H new ATOM 0 HB2 GLU A 95 -6.429 14.591 -4.130 1.00 0.43 H new ATOM 0 HB3 GLU A 95 -7.191 13.928 -5.562 1.00 0.43 H new ATOM 0 HG2 GLU A 95 -9.365 13.772 -4.085 1.00 0.54 H new ATOM 0 HG3 GLU A 95 -8.532 14.856 -2.988 1.00 0.54 H new ATOM 1466 N LYS A 96 -6.605 10.995 -5.677 1.00 0.12 N ATOM 1467 CA LYS A 96 -6.962 9.985 -6.716 1.00 0.35 C ATOM 1468 C LYS A 96 -7.181 8.610 -6.068 1.00 0.26 C ATOM 1469 O LYS A 96 -8.005 7.838 -6.512 1.00 0.25 O ATOM 1470 CB LYS A 96 -5.825 9.898 -7.737 1.00 0.64 C ATOM 1471 CG LYS A 96 -6.241 8.966 -8.880 1.00 0.92 C ATOM 1472 CD LYS A 96 -6.318 9.769 -10.182 1.00 1.42 C ATOM 1473 CE LYS A 96 -4.909 10.220 -10.578 1.00 0.45 C ATOM 1474 NZ LYS A 96 -4.865 11.699 -10.754 1.00 1.63 N ATOM 0 H LYS A 96 -5.612 11.219 -5.605 1.00 0.12 H new ATOM 0 HA LYS A 96 -7.884 10.288 -7.212 1.00 0.35 H new ATOM 0 HB2 LYS A 96 -5.594 10.889 -8.127 1.00 0.64 H new ATOM 0 HB3 LYS A 96 -4.919 9.524 -7.259 1.00 0.64 H new ATOM 0 HG2 LYS A 96 -5.522 8.153 -8.982 1.00 0.92 H new ATOM 0 HG3 LYS A 96 -7.207 8.512 -8.661 1.00 0.92 H new ATOM 0 HD2 LYS A 96 -6.754 9.160 -10.974 1.00 1.42 H new ATOM 0 HD3 LYS A 96 -6.967 10.635 -10.052 1.00 1.42 H new ATOM 0 HE2 LYS A 96 -4.195 9.918 -9.812 1.00 0.45 H new ATOM 0 HE3 LYS A 96 -4.610 9.729 -11.504 1.00 0.45 H new ATOM 0 HZ1 LYS A 96 -4.499 11.925 -11.701 1.00 1.63 H new ATOM 0 HZ2 LYS A 96 -5.823 12.090 -10.651 1.00 1.63 H new ATOM 0 HZ3 LYS A 96 -4.242 12.116 -10.033 1.00 1.63 H new ATOM 1488 N LEU A 97 -6.437 8.336 -5.031 1.00 0.23 N ATOM 1489 CA LEU A 97 -6.592 7.016 -4.343 1.00 0.19 C ATOM 1490 C LEU A 97 -8.078 6.696 -4.147 1.00 0.13 C ATOM 1491 O LEU A 97 -8.529 5.617 -4.465 1.00 0.11 O ATOM 1492 CB LEU A 97 -5.918 7.079 -2.971 1.00 0.20 C ATOM 1493 CG LEU A 97 -4.391 7.006 -3.135 1.00 0.28 C ATOM 1494 CD1 LEU A 97 -3.731 7.288 -1.780 1.00 0.34 C ATOM 1495 CD2 LEU A 97 -3.978 5.602 -3.613 1.00 0.52 C ATOM 0 H LEU A 97 -5.735 8.959 -4.632 1.00 0.23 H new ATOM 0 HA LEU A 97 -6.131 6.241 -4.956 1.00 0.19 H new ATOM 0 HB2 LEU A 97 -6.194 8.003 -2.462 1.00 0.20 H new ATOM 0 HB3 LEU A 97 -6.265 6.255 -2.347 1.00 0.20 H new ATOM 0 HG LEU A 97 -4.072 7.743 -3.872 1.00 0.28 H new ATOM 0 HD11 LEU A 97 -2.647 7.238 -1.886 1.00 0.34 H new ATOM 0 HD12 LEU A 97 -4.017 8.282 -1.436 1.00 0.34 H new ATOM 0 HD13 LEU A 97 -4.059 6.544 -1.054 1.00 0.34 H new ATOM 0 HD21 LEU A 97 -2.895 5.560 -3.726 1.00 0.52 H new ATOM 0 HD22 LEU A 97 -4.295 4.860 -2.880 1.00 0.52 H new ATOM 0 HD23 LEU A 97 -4.451 5.390 -4.572 1.00 0.52 H new ATOM 1507 N GLU A 98 -8.805 7.647 -3.623 1.00 0.16 N ATOM 1508 CA GLU A 98 -10.262 7.415 -3.386 1.00 0.14 C ATOM 1509 C GLU A 98 -10.922 6.856 -4.644 1.00 0.16 C ATOM 1510 O GLU A 98 -11.270 5.694 -4.705 1.00 0.16 O ATOM 1511 CB GLU A 98 -10.926 8.745 -2.999 1.00 0.16 C ATOM 1512 CG GLU A 98 -12.458 8.594 -3.012 1.00 0.37 C ATOM 1513 CD GLU A 98 -12.860 7.334 -2.240 1.00 2.03 C ATOM 1514 OE1 GLU A 98 -12.516 7.281 -1.071 1.00 2.52 O ATOM 1515 OE2 GLU A 98 -13.488 6.494 -2.865 1.00 3.31 O ATOM 0 H GLU A 98 -8.458 8.567 -3.351 1.00 0.16 H new ATOM 0 HA GLU A 98 -10.384 6.692 -2.579 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -10.591 9.053 -2.008 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -10.624 9.528 -3.695 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -12.923 9.471 -2.562 1.00 0.37 H new ATOM 0 HG3 GLU A 98 -12.818 8.533 -4.039 1.00 0.37 H new ATOM 1522 N ALA A 99 -11.077 7.696 -5.616 1.00 0.22 N ATOM 1523 CA ALA A 99 -11.719 7.240 -6.884 1.00 0.25 C ATOM 1524 C ALA A 99 -11.088 5.924 -7.349 1.00 0.24 C ATOM 1525 O ALA A 99 -11.779 5.003 -7.735 1.00 0.29 O ATOM 1526 CB ALA A 99 -11.521 8.307 -7.961 1.00 0.29 C ATOM 0 H ALA A 99 -10.792 8.675 -5.596 1.00 0.22 H new ATOM 0 HA ALA A 99 -12.783 7.082 -6.710 1.00 0.25 H new ATOM 0 HB1 ALA A 99 -11.988 7.978 -8.889 1.00 0.29 H new ATOM 0 HB2 ALA A 99 -11.978 9.242 -7.636 1.00 0.29 H new ATOM 0 HB3 ALA A 99 -10.455 8.463 -8.127 1.00 0.29 H new ATOM 1532 N THR A 100 -9.787 5.866 -7.297 1.00 0.22 N ATOM 1533 CA THR A 100 -9.090 4.622 -7.733 1.00 0.19 C ATOM 1534 C THR A 100 -9.654 3.413 -6.984 1.00 0.15 C ATOM 1535 O THR A 100 -9.937 2.392 -7.578 1.00 0.15 O ATOM 1536 CB THR A 100 -7.597 4.760 -7.440 1.00 0.18 C ATOM 1537 OG1 THR A 100 -7.258 6.068 -7.893 1.00 0.22 O ATOM 1538 CG2 THR A 100 -6.767 3.808 -8.297 1.00 0.19 C ATOM 0 H THR A 100 -9.179 6.619 -6.974 1.00 0.22 H new ATOM 0 HA THR A 100 -9.245 4.474 -8.802 1.00 0.19 H new ATOM 0 HB THR A 100 -7.405 4.560 -6.386 1.00 0.18 H new ATOM 0 HG1 THR A 100 -7.464 6.721 -7.192 1.00 0.22 H new ATOM 0 HG21 THR A 100 -5.710 3.934 -8.062 1.00 0.19 H new ATOM 0 HG22 THR A 100 -7.065 2.780 -8.091 1.00 0.19 H new ATOM 0 HG23 THR A 100 -6.933 4.029 -9.351 1.00 0.19 H new ATOM 1546 N ILE A 101 -9.800 3.545 -5.695 1.00 0.13 N ATOM 1547 CA ILE A 101 -10.359 2.409 -4.913 1.00 0.11 C ATOM 1548 C ILE A 101 -11.750 2.091 -5.433 1.00 0.13 C ATOM 1549 O ILE A 101 -12.163 0.951 -5.473 1.00 0.17 O ATOM 1550 CB ILE A 101 -10.436 2.794 -3.436 1.00 0.11 C ATOM 1551 CG1 ILE A 101 -9.064 2.582 -2.786 1.00 0.12 C ATOM 1552 CG2 ILE A 101 -11.469 1.909 -2.740 1.00 0.16 C ATOM 1553 CD1 ILE A 101 -8.833 3.672 -1.738 1.00 0.47 C ATOM 0 H ILE A 101 -9.560 4.377 -5.156 1.00 0.13 H new ATOM 0 HA ILE A 101 -9.718 1.534 -5.020 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.727 3.840 -3.342 1.00 0.11 H new ATOM 0 HG12 ILE A 101 -9.016 1.597 -2.321 1.00 0.12 H new ATOM 0 HG13 ILE A 101 -8.280 2.616 -3.543 1.00 0.12 H new ATOM 0 HG21 ILE A 101 -11.528 2.179 -1.686 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -12.444 2.052 -3.207 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -11.173 0.864 -2.831 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.859 3.527 -1.271 1.00 0.47 H new ATOM 0 HD12 ILE A 101 -8.864 4.650 -2.218 1.00 0.47 H new ATOM 0 HD13 ILE A 101 -9.612 3.616 -0.977 1.00 0.47 H new ATOM 1565 N ASN A 102 -12.442 3.116 -5.820 1.00 0.16 N ATOM 1566 CA ASN A 102 -13.806 2.913 -6.364 1.00 0.19 C ATOM 1567 C ASN A 102 -13.700 2.157 -7.685 1.00 0.22 C ATOM 1568 O ASN A 102 -14.679 1.668 -8.213 1.00 0.24 O ATOM 1569 CB ASN A 102 -14.460 4.274 -6.602 1.00 0.21 C ATOM 1570 CG ASN A 102 -15.929 4.213 -6.182 1.00 0.62 C ATOM 1571 OD1 ASN A 102 -16.548 3.168 -6.192 1.00 0.75 O ATOM 1572 ND2 ASN A 102 -16.524 5.314 -5.807 1.00 1.13 N ATOM 0 H ASN A 102 -12.124 4.085 -5.784 1.00 0.16 H new ATOM 0 HA ASN A 102 -14.410 2.341 -5.660 1.00 0.19 H new ATOM 0 HB2 ASN A 102 -13.939 5.044 -6.033 1.00 0.21 H new ATOM 0 HB3 ASN A 102 -14.382 4.548 -7.654 1.00 0.21 H new ATOM 0 HD21 ASN A 102 -17.504 5.293 -5.524 1.00 1.13 H new ATOM 0 HD22 ASN A 102 -16.009 6.194 -5.797 1.00 1.13 H new ATOM 1579 N GLU A 103 -12.497 2.080 -8.187 1.00 0.22 N ATOM 1580 CA GLU A 103 -12.276 1.366 -9.474 1.00 0.25 C ATOM 1581 C GLU A 103 -12.319 -0.153 -9.263 1.00 0.24 C ATOM 1582 O GLU A 103 -12.968 -0.863 -10.006 1.00 0.27 O ATOM 1583 CB GLU A 103 -10.907 1.760 -10.028 1.00 0.25 C ATOM 1584 CG GLU A 103 -10.897 1.545 -11.543 1.00 0.34 C ATOM 1585 CD GLU A 103 -11.528 2.756 -12.232 1.00 1.11 C ATOM 1586 OE1 GLU A 103 -10.840 3.760 -12.299 1.00 1.10 O ATOM 1587 OE2 GLU A 103 -12.664 2.608 -12.652 1.00 2.30 O ATOM 0 H GLU A 103 -11.661 2.480 -7.762 1.00 0.22 H new ATOM 0 HA GLU A 103 -13.064 1.643 -10.175 1.00 0.25 H new ATOM 0 HB2 GLU A 103 -10.694 2.803 -9.795 1.00 0.25 H new ATOM 0 HB3 GLU A 103 -10.126 1.162 -9.559 1.00 0.25 H new ATOM 0 HG2 GLU A 103 -9.875 1.404 -11.895 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -11.449 0.640 -11.797 1.00 0.34 H new ATOM 1594 N LEU A 104 -11.626 -0.620 -8.251 1.00 0.20 N ATOM 1595 CA LEU A 104 -11.603 -2.097 -7.994 1.00 0.20 C ATOM 1596 C LEU A 104 -12.553 -2.478 -6.847 1.00 0.20 C ATOM 1597 O LEU A 104 -12.654 -3.634 -6.489 1.00 0.22 O ATOM 1598 CB LEU A 104 -10.174 -2.521 -7.632 1.00 0.17 C ATOM 1599 CG LEU A 104 -9.178 -1.904 -8.628 1.00 0.18 C ATOM 1600 CD1 LEU A 104 -7.788 -2.509 -8.386 1.00 0.17 C ATOM 1601 CD2 LEU A 104 -9.621 -2.218 -10.063 1.00 0.23 C ATOM 0 H LEU A 104 -11.083 -0.053 -7.600 1.00 0.20 H new ATOM 0 HA LEU A 104 -11.935 -2.610 -8.897 1.00 0.20 H new ATOM 0 HB2 LEU A 104 -9.935 -2.199 -6.618 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.092 -3.608 -7.648 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.145 -0.824 -8.488 1.00 0.18 H new ATOM 0 HD11 LEU A 104 -7.076 -2.077 -9.089 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.469 -2.292 -7.366 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.831 -3.588 -8.531 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.913 -1.779 -10.766 1.00 0.23 H new ATOM 0 HD22 LEU A 104 -9.653 -3.298 -10.206 1.00 0.23 H new ATOM 0 HD23 LEU A 104 -10.612 -1.800 -10.237 1.00 0.23 H new ATOM 1613 N VAL A 105 -13.231 -1.507 -6.291 1.00 0.22 N ATOM 1614 CA VAL A 105 -14.174 -1.829 -5.173 1.00 0.23 C ATOM 1615 C VAL A 105 -15.165 -2.911 -5.612 1.00 0.24 C ATOM 1616 O VAL A 105 -15.431 -2.951 -6.802 1.00 0.97 O ATOM 1617 CB VAL A 105 -14.944 -0.572 -4.778 1.00 0.22 C ATOM 1618 CG1 VAL A 105 -15.966 -0.244 -5.869 1.00 0.21 C ATOM 1619 CG2 VAL A 105 -15.682 -0.830 -3.463 1.00 0.24 C ATOM 1620 OXT VAL A 105 -15.598 -3.637 -4.732 1.00 1.08 O ATOM 0 H VAL A 105 -13.177 -0.523 -6.554 1.00 0.22 H new ATOM 0 HA VAL A 105 -13.600 -2.194 -4.321 1.00 0.23 H new ATOM 0 HB VAL A 105 -14.252 0.262 -4.658 1.00 0.22 H new ATOM 0 HG11 VAL A 105 -16.519 0.653 -5.592 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.448 -0.074 -6.813 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.659 -1.078 -5.980 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.235 0.064 -3.174 1.00 0.24 H new ATOM 0 HG22 VAL A 105 -16.377 -1.660 -3.592 1.00 0.24 H new ATOM 0 HG23 VAL A 105 -14.961 -1.078 -2.684 1.00 0.24 H new TER 1630 VAL A 105