USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= 1.02 K(o=2.2,f=-7.1!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -124:sc= 1.21 (180deg=-0.0129) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0328 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 155:sc= 0.0744 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.0077 (180deg=-0.0216) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.05 (180deg=0.15) USER MOD Single : A 2 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.0039) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.304 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0127) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.53! X(o=-1.5!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.434 USER MOD Single : A 60 ASN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.944 4.577 -0.335 1.00 9.67 N ATOM 2 CA MET A 1 -13.251 5.330 0.734 1.00 10.38 C ATOM 3 C MET A 1 -11.978 6.018 0.377 1.00 9.62 C ATOM 4 O MET A 1 -11.673 6.068 -0.813 1.00 9.62 O ATOM 5 CB MET A 1 -13.144 4.339 1.906 1.00 13.77 C ATOM 6 CG MET A 1 -12.224 3.189 1.493 1.00 16.29 C ATOM 7 SD MET A 1 -11.969 1.889 2.739 1.00 17.17 S ATOM 8 CE MET A 1 -10.521 1.168 1.913 1.00 16.11 C ATOM 0 H1 MET A 1 -14.546 3.844 0.091 1.00 9.67 H new ATOM 0 H2 MET A 1 -14.533 5.228 -0.892 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.240 4.129 -0.956 1.00 9.67 H new ATOM 0 HA MET A 1 -13.834 6.215 0.990 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.749 4.840 2.790 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.130 3.958 2.170 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.632 2.728 0.593 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.252 3.605 1.226 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.177 0.299 2.474 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.793 0.863 0.903 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.723 1.909 1.866 1.00 16.11 H new ATOM 20 N GLN A 2 -11.215 6.532 1.359 1.00 9.27 N ATOM 21 CA GLN A 2 -9.931 7.103 1.094 1.00 9.07 C ATOM 22 C GLN A 2 -8.945 6.516 2.044 1.00 8.72 C ATOM 23 O GLN A 2 -9.271 6.225 3.194 1.00 8.22 O ATOM 24 CB GLN A 2 -9.986 8.640 1.148 1.00 14.46 C ATOM 25 CG GLN A 2 -8.848 9.527 0.639 1.00 17.01 C ATOM 26 CD GLN A 2 -9.246 10.977 0.875 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.564 11.513 1.935 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.226 11.692 -0.282 1.00 19.49 N ATOM 0 H GLN A 2 -11.490 6.552 2.341 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.610 6.860 0.081 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.881 8.938 0.601 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.146 8.909 2.192 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.920 9.296 1.162 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -8.669 9.348 -0.421 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.961 11.239 -1.157 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.476 12.681 -0.275 1.00 19.49 H new ATOM 37 N ILE A 3 -7.669 6.291 1.681 1.00 5.87 N ATOM 38 CA ILE A 3 -6.619 5.838 2.538 1.00 5.07 C ATOM 39 C ILE A 3 -5.386 6.592 2.177 1.00 4.01 C ATOM 40 O ILE A 3 -5.270 7.060 1.046 1.00 4.61 O ATOM 41 CB ILE A 3 -6.260 4.384 2.451 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.850 3.885 1.055 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.459 3.662 3.089 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.458 2.408 1.062 1.00 10.83 C ATOM 0 H ILE A 3 -7.351 6.436 0.723 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.992 6.002 3.549 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.335 4.168 2.986 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.676 4.037 0.360 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.013 4.480 0.690 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.287 2.586 3.071 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.576 3.994 4.121 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.364 3.894 2.528 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.176 2.102 0.055 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.614 2.259 1.736 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.303 1.809 1.401 1.00 10.83 H new ATOM 56 N PHE A 4 -4.396 6.583 3.088 1.00 4.55 N ATOM 57 CA PHE A 4 -3.158 7.278 2.919 1.00 4.68 C ATOM 58 C PHE A 4 -2.044 6.291 2.985 1.00 5.30 C ATOM 59 O PHE A 4 -1.923 5.600 3.996 1.00 5.58 O ATOM 60 CB PHE A 4 -2.939 8.363 3.988 1.00 4.83 C ATOM 61 CG PHE A 4 -4.074 9.321 4.109 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.135 10.459 3.340 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.026 9.041 5.061 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.220 11.294 3.474 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.075 9.912 5.238 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.181 11.008 4.414 1.00 8.90 C ATOM 0 H PHE A 4 -4.460 6.076 3.971 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.185 7.779 1.951 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -2.776 7.883 4.953 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.031 8.917 3.750 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.344 10.693 2.643 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.951 8.147 5.663 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.316 12.167 2.846 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.806 9.738 6.014 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.038 11.658 4.508 1.00 8.90 H new ATOM 76 N VAL A 5 -1.218 6.367 1.926 1.00 4.44 N ATOM 77 CA VAL A 5 0.032 5.679 1.838 1.00 3.87 C ATOM 78 C VAL A 5 1.107 6.624 2.254 1.00 4.93 C ATOM 79 O VAL A 5 1.291 7.638 1.582 1.00 6.84 O ATOM 80 CB VAL A 5 0.353 5.125 0.482 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.802 4.610 0.452 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.643 3.964 0.323 1.00 9.13 C ATOM 0 H VAL A 5 -1.429 6.928 1.101 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.039 4.811 2.494 1.00 3.87 H new ATOM 0 HB VAL A 5 0.271 5.862 -0.317 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.025 4.210 -0.537 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.484 5.430 0.674 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.924 3.824 1.198 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.492 3.485 -0.645 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.482 3.235 1.117 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.662 4.348 0.384 1.00 9.13 H new ATOM 92 N LYS A 6 1.876 6.296 3.307 1.00 6.04 N ATOM 93 CA LYS A 6 2.962 7.073 3.819 1.00 6.12 C ATOM 94 C LYS A 6 4.181 6.218 3.868 1.00 6.57 C ATOM 95 O LYS A 6 4.213 4.996 4.003 1.00 5.76 O ATOM 96 CB LYS A 6 2.669 7.684 5.200 1.00 7.45 C ATOM 97 CG LYS A 6 1.695 8.845 4.997 1.00 11.12 C ATOM 98 CD LYS A 6 1.669 9.689 6.273 1.00 14.54 C ATOM 99 CE LYS A 6 2.804 10.711 6.365 1.00 18.84 C ATOM 100 NZ LYS A 6 2.215 11.945 6.931 1.00 20.55 N ATOM 0 H LYS A 6 1.730 5.435 3.833 1.00 6.04 H new ATOM 0 HA LYS A 6 3.116 7.918 3.147 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.239 6.936 5.866 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.590 8.034 5.667 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.004 9.454 4.147 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.697 8.467 4.773 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.715 10.214 6.330 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.720 9.026 7.136 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.609 10.340 6.999 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.234 10.902 5.382 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.958 12.501 7.401 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.791 12.509 6.167 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.481 11.693 7.623 1.00 20.55 H new ATOM 114 N THR A 7 5.304 6.910 3.601 1.00 7.41 N ATOM 115 CA THR A 7 6.634 6.390 3.673 1.00 7.48 C ATOM 116 C THR A 7 7.311 6.644 4.975 1.00 8.75 C ATOM 117 O THR A 7 6.706 6.861 6.024 1.00 8.58 O ATOM 118 CB THR A 7 7.512 6.990 2.615 1.00 9.61 C ATOM 119 OG1 THR A 7 7.723 8.370 2.874 1.00 11.78 O ATOM 120 CG2 THR A 7 6.746 6.867 1.287 1.00 9.17 C ATOM 0 H THR A 7 5.281 7.890 3.318 1.00 7.41 H new ATOM 0 HA THR A 7 6.508 5.316 3.537 1.00 7.48 H new ATOM 0 HB THR A 7 8.476 6.482 2.590 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.299 8.749 2.178 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.345 7.291 0.481 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.548 5.816 1.077 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.802 7.407 1.360 1.00 9.17 H new ATOM 128 N LEU A 8 8.651 6.533 4.974 1.00 9.84 N ATOM 129 CA LEU A 8 9.517 6.534 6.113 1.00 14.15 C ATOM 130 C LEU A 8 9.694 7.930 6.604 1.00 17.37 C ATOM 131 O LEU A 8 9.526 8.093 7.811 1.00 17.01 O ATOM 132 CB LEU A 8 10.851 5.858 5.755 1.00 16.63 C ATOM 133 CG LEU A 8 11.817 5.835 6.951 1.00 18.88 C ATOM 134 CD1 LEU A 8 12.700 4.593 6.744 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.750 7.057 6.993 1.00 19.31 C ATOM 0 H LEU A 8 9.171 6.434 4.102 1.00 9.84 H new ATOM 0 HA LEU A 8 9.074 5.957 6.925 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.663 4.838 5.419 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.315 6.387 4.923 1.00 16.63 H new ATOM 0 HG LEU A 8 11.240 5.833 7.876 1.00 18.88 H new ATOM 0 HD11 LEU A 8 13.415 4.514 7.563 1.00 18.59 H new ATOM 0 HD12 LEU A 8 12.074 3.701 6.722 1.00 18.59 H new ATOM 0 HD13 LEU A 8 13.238 4.682 5.800 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.408 6.983 7.859 1.00 19.31 H new ATOM 0 HD22 LEU A 8 13.350 7.088 6.084 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.155 7.967 7.066 1.00 19.31 H new ATOM 147 N THR A 9 9.982 8.897 5.716 1.00 18.33 N ATOM 148 CA THR A 9 10.058 10.242 6.195 1.00 19.24 C ATOM 149 C THR A 9 8.708 10.765 6.549 1.00 19.48 C ATOM 150 O THR A 9 8.427 11.288 7.626 1.00 23.14 O ATOM 151 CB THR A 9 10.613 11.035 5.049 1.00 18.97 C ATOM 152 OG1 THR A 9 10.010 10.757 3.794 1.00 20.24 O ATOM 153 CG2 THR A 9 12.089 10.707 4.766 1.00 19.70 C ATOM 0 H THR A 9 10.154 8.763 4.720 1.00 18.33 H new ATOM 0 HA THR A 9 10.672 10.306 7.093 1.00 19.24 H new ATOM 0 HB THR A 9 10.433 12.058 5.380 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.424 11.313 3.102 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.441 11.308 3.928 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.687 10.931 5.649 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.186 9.650 4.520 1.00 19.70 H new ATOM 161 N GLY A 10 7.724 10.574 5.652 1.00 19.43 N ATOM 162 CA GLY A 10 6.360 10.944 5.871 1.00 18.74 C ATOM 163 C GLY A 10 5.906 11.821 4.755 1.00 17.62 C ATOM 164 O GLY A 10 5.345 12.884 5.012 1.00 19.74 O ATOM 0 H GLY A 10 7.884 10.146 4.740 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.734 10.054 5.928 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.260 11.465 6.823 1.00 18.74 H new ATOM 168 N LYS A 11 5.903 11.246 3.539 1.00 13.56 N ATOM 169 CA LYS A 11 5.318 11.718 2.323 1.00 11.91 C ATOM 170 C LYS A 11 3.927 11.208 2.162 1.00 10.18 C ATOM 171 O LYS A 11 3.786 9.988 2.091 1.00 9.10 O ATOM 172 CB LYS A 11 6.139 11.232 1.117 1.00 13.43 C ATOM 173 CG LYS A 11 7.534 11.859 1.061 1.00 16.69 C ATOM 174 CD LYS A 11 8.468 11.093 0.122 1.00 17.92 C ATOM 175 CE LYS A 11 8.048 11.306 -1.334 1.00 20.81 C ATOM 176 NZ LYS A 11 8.906 10.574 -2.293 1.00 21.93 N ATOM 0 H LYS A 11 6.364 10.348 3.396 1.00 13.56 H new ATOM 0 HA LYS A 11 5.307 12.807 2.369 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.234 10.147 1.161 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.602 11.468 0.198 1.00 13.43 H new ATOM 0 HG2 LYS A 11 7.454 12.894 0.728 1.00 16.69 H new ATOM 0 HG3 LYS A 11 7.963 11.879 2.063 1.00 16.69 H new ATOM 0 HD2 LYS A 11 9.495 11.430 0.265 1.00 17.92 H new ATOM 0 HD3 LYS A 11 8.445 10.030 0.363 1.00 17.92 H new ATOM 0 HE2 LYS A 11 7.014 10.984 -1.460 1.00 20.81 H new ATOM 0 HE3 LYS A 11 8.080 12.371 -1.564 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 8.576 10.755 -3.262 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 9.890 10.898 -2.196 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 8.856 9.554 -2.095 1.00 21.93 H new ATOM 190 N THR A 12 2.877 12.049 2.140 1.00 9.63 N ATOM 191 CA THR A 12 1.500 11.662 2.125 1.00 9.85 C ATOM 192 C THR A 12 0.933 11.443 0.765 1.00 11.66 C ATOM 193 O THR A 12 0.852 12.433 0.038 1.00 12.33 O ATOM 194 CB THR A 12 0.613 12.627 2.854 1.00 10.85 C ATOM 195 OG1 THR A 12 1.168 13.077 4.082 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.714 11.876 3.056 1.00 9.63 C ATOM 0 H THR A 12 2.998 13.062 2.132 1.00 9.63 H new ATOM 0 HA THR A 12 1.512 10.704 2.645 1.00 9.85 H new ATOM 0 HB THR A 12 0.479 13.544 2.280 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.548 13.703 4.511 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.419 12.518 3.585 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.129 11.603 2.086 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.536 10.974 3.641 1.00 9.63 H new ATOM 204 N ILE A 13 0.687 10.186 0.354 1.00 10.42 N ATOM 205 CA ILE A 13 0.176 9.813 -0.929 1.00 11.84 C ATOM 206 C ILE A 13 -1.254 9.435 -0.749 1.00 10.55 C ATOM 207 O ILE A 13 -1.571 8.359 -0.243 1.00 11.92 O ATOM 208 CB ILE A 13 1.071 8.824 -1.615 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.446 9.465 -1.872 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.392 8.303 -2.892 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.549 8.409 -1.929 1.00 16.46 C ATOM 0 H ILE A 13 0.856 9.380 0.956 1.00 10.42 H new ATOM 0 HA ILE A 13 0.183 10.640 -1.639 1.00 11.84 H new ATOM 0 HB ILE A 13 1.242 7.956 -0.978 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.422 10.019 -2.810 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.668 10.183 -1.083 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.047 7.585 -3.386 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.548 7.817 -2.632 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.195 9.137 -3.566 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.508 8.894 -2.112 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.589 7.873 -0.981 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.338 7.706 -2.735 1.00 16.46 H new ATOM 223 N THR A 14 -2.286 10.214 -1.120 1.00 9.39 N ATOM 224 CA THR A 14 -3.664 9.963 -0.829 1.00 9.63 C ATOM 225 C THR A 14 -4.250 9.166 -1.943 1.00 11.20 C ATOM 226 O THR A 14 -4.164 9.564 -3.103 1.00 11.63 O ATOM 227 CB THR A 14 -4.458 11.221 -0.635 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.784 12.030 0.317 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.819 10.870 -0.011 1.00 11.66 C ATOM 0 H THR A 14 -2.149 11.071 -1.656 1.00 9.39 H new ATOM 0 HA THR A 14 -3.711 9.415 0.112 1.00 9.63 H new ATOM 0 HB THR A 14 -4.579 11.724 -1.594 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.035 11.749 1.222 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.400 11.781 0.132 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.360 10.195 -0.674 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.663 10.384 0.952 1.00 11.66 H new ATOM 237 N LEU A 15 -4.855 8.004 -1.638 1.00 8.29 N ATOM 238 CA LEU A 15 -5.439 7.166 -2.638 1.00 9.03 C ATOM 239 C LEU A 15 -6.847 6.697 -2.503 1.00 8.59 C ATOM 240 O LEU A 15 -7.365 6.516 -1.402 1.00 7.79 O ATOM 241 CB LEU A 15 -4.674 5.834 -2.572 1.00 11.08 C ATOM 242 CG LEU A 15 -3.160 5.956 -2.814 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.402 4.622 -2.707 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.947 6.617 -4.186 1.00 15.88 C ATOM 0 H LEU A 15 -4.940 7.642 -0.688 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.398 7.799 -3.524 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.838 5.384 -1.593 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.094 5.151 -3.311 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.739 6.573 -2.020 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.341 4.791 -2.890 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.536 4.206 -1.708 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.791 3.922 -3.447 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.879 6.715 -4.381 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.402 6.001 -4.961 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.408 7.605 -4.190 1.00 15.88 H new ATOM 256 N GLU A 16 -7.545 6.523 -3.639 1.00 11.04 N ATOM 257 CA GLU A 16 -8.962 6.340 -3.705 1.00 11.50 C ATOM 258 C GLU A 16 -9.205 4.909 -4.042 1.00 10.13 C ATOM 259 O GLU A 16 -8.922 4.444 -5.145 1.00 9.83 O ATOM 260 CB GLU A 16 -9.553 7.314 -4.737 1.00 17.22 C ATOM 261 CG GLU A 16 -11.025 7.644 -4.482 1.00 23.33 C ATOM 262 CD GLU A 16 -11.493 8.522 -5.633 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.918 9.640 -5.725 1.00 28.86 O ATOM 264 OE2 GLU A 16 -12.494 8.188 -6.323 1.00 28.90 O ATOM 0 H GLU A 16 -7.099 6.509 -4.556 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.455 6.561 -2.758 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.974 8.237 -4.728 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.451 6.883 -5.733 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.620 6.732 -4.426 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.144 8.161 -3.530 1.00 23.33 H new ATOM 271 N VAL A 17 -9.857 4.137 -3.153 1.00 8.99 N ATOM 272 CA VAL A 17 -10.084 2.726 -3.113 1.00 8.85 C ATOM 273 C VAL A 17 -11.427 2.385 -2.567 1.00 8.04 C ATOM 274 O VAL A 17 -11.976 3.182 -1.808 1.00 8.99 O ATOM 275 CB VAL A 17 -9.061 2.057 -2.243 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.756 1.863 -3.033 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.796 2.728 -0.885 1.00 10.54 C ATOM 0 H VAL A 17 -10.288 4.578 -2.341 1.00 8.99 H new ATOM 0 HA VAL A 17 -10.015 2.376 -4.143 1.00 8.85 H new ATOM 0 HB VAL A 17 -9.493 1.093 -1.975 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -7.015 1.377 -2.398 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.949 1.241 -3.907 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.378 2.833 -3.354 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.041 2.161 -0.340 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.440 3.746 -1.045 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.719 2.753 -0.305 1.00 10.54 H new ATOM 287 N GLU A 18 -12.012 1.203 -2.830 1.00 7.29 N ATOM 288 CA GLU A 18 -13.220 0.689 -2.262 1.00 7.08 C ATOM 289 C GLU A 18 -12.844 -0.594 -1.603 1.00 6.45 C ATOM 290 O GLU A 18 -11.788 -1.086 -1.996 1.00 5.28 O ATOM 291 CB GLU A 18 -14.263 0.441 -3.365 1.00 10.28 C ATOM 292 CG GLU A 18 -14.782 1.741 -3.982 1.00 12.65 C ATOM 293 CD GLU A 18 -15.586 1.377 -5.222 1.00 14.15 C ATOM 294 OE1 GLU A 18 -16.255 0.312 -5.310 1.00 14.33 O ATOM 295 OE2 GLU A 18 -15.475 2.212 -6.158 1.00 18.17 O ATOM 0 H GLU A 18 -11.602 0.551 -3.499 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.662 1.389 -1.553 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -13.821 -0.177 -4.146 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -15.100 -0.120 -2.950 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -15.404 2.281 -3.268 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.952 2.398 -4.243 1.00 12.65 H new ATOM 302 N PRO A 19 -13.484 -1.247 -0.679 1.00 7.24 N ATOM 303 CA PRO A 19 -12.745 -2.186 0.113 1.00 7.07 C ATOM 304 C PRO A 19 -12.396 -3.400 -0.677 1.00 6.65 C ATOM 305 O PRO A 19 -11.547 -4.209 -0.305 1.00 6.37 O ATOM 306 CB PRO A 19 -13.627 -2.426 1.337 1.00 7.61 C ATOM 307 CG PRO A 19 -14.651 -1.282 1.415 1.00 8.16 C ATOM 308 CD PRO A 19 -14.730 -0.831 -0.052 1.00 7.49 C ATOM 0 HA PRO A 19 -11.768 -1.825 0.433 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.135 -3.387 1.259 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.022 -2.458 2.243 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.616 -1.622 1.791 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.318 -0.479 2.072 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -15.586 -1.284 -0.552 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.857 0.250 -0.120 1.00 7.49 H new ATOM 316 N SER A 20 -13.090 -3.685 -1.793 1.00 6.80 N ATOM 317 CA SER A 20 -12.810 -4.877 -2.532 1.00 6.28 C ATOM 318 C SER A 20 -11.682 -4.704 -3.490 1.00 8.45 C ATOM 319 O SER A 20 -11.378 -5.600 -4.277 1.00 7.26 O ATOM 320 CB SER A 20 -14.088 -5.137 -3.347 1.00 8.57 C ATOM 321 OG SER A 20 -15.257 -5.256 -2.550 1.00 11.13 O ATOM 0 H SER A 20 -13.833 -3.102 -2.179 1.00 6.80 H new ATOM 0 HA SER A 20 -12.531 -5.684 -1.854 1.00 6.28 H new ATOM 0 HB2 SER A 20 -14.226 -4.324 -4.060 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.959 -6.051 -3.927 1.00 8.57 H new ATOM 0 HG SER A 20 -16.032 -5.418 -3.128 1.00 11.13 H new ATOM 327 N ASP A 21 -11.077 -3.503 -3.459 1.00 7.50 N ATOM 328 CA ASP A 21 -9.922 -3.328 -4.285 1.00 7.70 C ATOM 329 C ASP A 21 -8.677 -3.969 -3.779 1.00 7.08 C ATOM 330 O ASP A 21 -8.432 -4.048 -2.576 1.00 8.11 O ATOM 331 CB ASP A 21 -9.597 -1.825 -4.327 1.00 11.00 C ATOM 332 CG ASP A 21 -10.661 -1.142 -5.176 1.00 15.32 C ATOM 333 OD1 ASP A 21 -11.543 -1.834 -5.751 1.00 14.36 O ATOM 334 OD2 ASP A 21 -10.666 0.116 -5.109 1.00 18.03 O ATOM 0 H ASP A 21 -11.363 -2.699 -2.900 1.00 7.50 H new ATOM 0 HA ASP A 21 -10.180 -3.784 -5.241 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.586 -1.408 -3.320 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -8.606 -1.660 -4.751 1.00 11.00 H new ATOM 339 N THR A 22 -7.869 -4.475 -4.729 1.00 5.37 N ATOM 340 CA THR A 22 -6.708 -5.248 -4.414 1.00 6.01 C ATOM 341 C THR A 22 -5.512 -4.426 -4.076 1.00 8.01 C ATOM 342 O THR A 22 -5.288 -3.285 -4.476 1.00 8.11 O ATOM 343 CB THR A 22 -6.379 -6.352 -5.375 1.00 8.92 C ATOM 344 OG1 THR A 22 -6.151 -5.857 -6.686 1.00 10.22 O ATOM 345 CG2 THR A 22 -7.517 -7.386 -5.413 1.00 9.65 C ATOM 0 H THR A 22 -8.024 -4.346 -5.729 1.00 5.37 H new ATOM 0 HA THR A 22 -7.010 -5.761 -3.501 1.00 6.01 H new ATOM 0 HB THR A 22 -5.463 -6.825 -5.022 1.00 8.92 H new ATOM 0 HG1 THR A 22 -5.938 -6.603 -7.285 1.00 10.22 H new ATOM 0 HG21 THR A 22 -7.263 -8.181 -6.115 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.656 -7.811 -4.419 1.00 9.65 H new ATOM 0 HG23 THR A 22 -8.439 -6.901 -5.732 1.00 9.65 H new ATOM 353 N ILE A 23 -4.548 -5.047 -3.373 1.00 8.32 N ATOM 354 CA ILE A 23 -3.295 -4.458 -3.014 1.00 9.92 C ATOM 355 C ILE A 23 -2.442 -4.135 -4.192 1.00 10.01 C ATOM 356 O ILE A 23 -1.793 -3.093 -4.265 1.00 8.71 O ATOM 357 CB ILE A 23 -2.523 -5.234 -1.989 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.329 -5.637 -0.742 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.188 -4.600 -1.561 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.908 -4.474 0.063 1.00 12.30 C ATOM 0 H ILE A 23 -4.647 -6.006 -3.039 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.574 -3.517 -2.541 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.290 -6.144 -2.541 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.148 -6.286 -1.052 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.686 -6.226 -0.088 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.705 -5.235 -0.818 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.538 -4.499 -2.430 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.374 -3.616 -1.131 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.458 -4.863 0.920 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.098 -3.834 0.411 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.582 -3.895 -0.568 1.00 12.30 H new ATOM 372 N GLU A 24 -2.509 -5.003 -5.218 1.00 9.54 N ATOM 373 CA GLU A 24 -2.128 -4.791 -6.580 1.00 11.81 C ATOM 374 C GLU A 24 -2.461 -3.417 -7.051 1.00 11.14 C ATOM 375 O GLU A 24 -1.635 -2.603 -7.462 1.00 10.62 O ATOM 376 CB GLU A 24 -2.597 -6.000 -7.407 1.00 19.24 C ATOM 377 CG GLU A 24 -2.477 -5.770 -8.915 1.00 27.76 C ATOM 378 CD GLU A 24 -2.690 -6.983 -9.809 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.276 -7.991 -9.332 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.181 -6.916 -10.959 1.00 34.80 O ATOM 0 H GLU A 24 -2.867 -5.948 -5.076 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.046 -4.774 -6.714 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -2.008 -6.874 -7.130 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -3.635 -6.223 -7.160 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -3.199 -5.005 -9.201 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.486 -5.366 -9.120 1.00 27.76 H new ATOM 387 N ASN A 25 -3.775 -3.134 -7.102 1.00 9.43 N ATOM 388 CA ASN A 25 -4.381 -1.921 -7.556 1.00 10.96 C ATOM 389 C ASN A 25 -3.940 -0.699 -6.827 1.00 9.68 C ATOM 390 O ASN A 25 -3.798 0.351 -7.452 1.00 9.33 O ATOM 391 CB ASN A 25 -5.916 -1.988 -7.623 1.00 16.78 C ATOM 392 CG ASN A 25 -6.503 -0.950 -8.568 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.934 0.092 -8.076 1.00 25.66 O ATOM 394 ND2 ASN A 25 -6.447 -1.165 -9.910 1.00 24.70 N ATOM 0 H ASN A 25 -4.472 -3.814 -6.799 1.00 9.43 H new ATOM 0 HA ASN A 25 -4.009 -1.825 -8.576 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -6.219 -2.983 -7.948 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -6.327 -1.839 -6.624 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.771 -0.445 -10.556 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -6.081 -2.046 -10.270 1.00 24.70 H new ATOM 401 N VAL A 26 -3.690 -0.881 -5.518 1.00 6.52 N ATOM 402 CA VAL A 26 -3.252 0.203 -4.695 1.00 5.53 C ATOM 403 C VAL A 26 -1.934 0.709 -5.172 1.00 4.42 C ATOM 404 O VAL A 26 -1.841 1.904 -5.450 1.00 3.40 O ATOM 405 CB VAL A 26 -3.261 -0.164 -3.241 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.461 0.839 -2.393 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.677 -0.457 -2.715 1.00 8.12 C ATOM 0 H VAL A 26 -3.790 -1.772 -5.032 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.961 1.026 -4.787 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.732 -1.112 -3.139 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.493 0.537 -1.346 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.426 0.859 -2.734 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.897 1.833 -2.497 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.626 -0.717 -1.658 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -5.302 0.427 -2.841 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -5.108 -1.289 -3.273 1.00 8.12 H new ATOM 417 N LYS A 27 -0.947 -0.193 -5.319 1.00 2.64 N ATOM 418 CA LYS A 27 0.394 0.109 -5.711 1.00 4.14 C ATOM 419 C LYS A 27 0.497 0.660 -7.091 1.00 5.58 C ATOM 420 O LYS A 27 1.374 1.410 -7.518 1.00 4.11 O ATOM 421 CB LYS A 27 1.292 -1.138 -5.657 1.00 3.97 C ATOM 422 CG LYS A 27 1.436 -1.642 -4.220 1.00 7.45 C ATOM 423 CD LYS A 27 2.295 -2.906 -4.144 1.00 9.02 C ATOM 424 CE LYS A 27 1.610 -4.117 -4.780 1.00 12.90 C ATOM 425 NZ LYS A 27 2.537 -5.270 -4.820 1.00 15.47 N ATOM 0 H LYS A 27 -1.094 -1.189 -5.155 1.00 2.64 H new ATOM 0 HA LYS A 27 0.724 0.864 -4.997 1.00 4.14 H new ATOM 0 HB2 LYS A 27 0.868 -1.924 -6.282 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.275 -0.902 -6.064 1.00 3.97 H new ATOM 0 HG2 LYS A 27 1.883 -0.861 -3.604 1.00 7.45 H new ATOM 0 HG3 LYS A 27 0.449 -1.848 -3.807 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.246 -2.726 -4.645 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.521 -3.126 -3.101 1.00 9.02 H new ATOM 0 HE2 LYS A 27 0.718 -4.379 -4.211 1.00 12.90 H new ATOM 0 HE3 LYS A 27 1.283 -3.869 -5.790 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 2.048 -6.095 -5.223 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.360 -5.033 -5.410 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 2.855 -5.493 -3.855 1.00 15.47 H new ATOM 439 N ALA A 28 -0.415 0.259 -7.995 1.00 6.61 N ATOM 440 CA ALA A 28 -0.586 0.613 -9.369 1.00 7.74 C ATOM 441 C ALA A 28 -0.739 2.077 -9.602 1.00 9.17 C ATOM 442 O ALA A 28 -0.148 2.604 -10.544 1.00 11.45 O ATOM 443 CB ALA A 28 -1.853 -0.018 -9.969 1.00 7.68 C ATOM 0 H ALA A 28 -1.132 -0.410 -7.715 1.00 6.61 H new ATOM 0 HA ALA A 28 0.327 0.246 -9.838 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.946 0.276 -11.014 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.785 -1.104 -9.902 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -2.727 0.326 -9.416 1.00 7.68 H new ATOM 449 N LYS A 29 -1.490 2.766 -8.725 1.00 8.96 N ATOM 450 CA LYS A 29 -1.595 4.190 -8.639 1.00 7.90 C ATOM 451 C LYS A 29 -0.280 4.805 -8.304 1.00 6.92 C ATOM 452 O LYS A 29 0.157 5.748 -8.962 1.00 6.87 O ATOM 453 CB LYS A 29 -2.644 4.653 -7.614 1.00 10.28 C ATOM 454 CG LYS A 29 -3.992 3.947 -7.767 1.00 14.94 C ATOM 455 CD LYS A 29 -4.963 4.138 -6.600 1.00 19.69 C ATOM 456 CE LYS A 29 -5.961 3.000 -6.379 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.735 2.710 -7.606 1.00 24.98 N ATOM 0 H LYS A 29 -2.064 2.294 -8.027 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.920 4.524 -9.624 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.262 4.477 -6.609 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.791 5.728 -7.716 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -4.470 4.305 -8.679 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.812 2.880 -7.899 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.384 4.272 -5.687 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.521 5.060 -6.762 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.428 2.103 -6.064 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.643 3.265 -5.572 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.752 2.785 -7.401 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.480 3.394 -8.347 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.518 1.747 -7.934 1.00 24.98 H new ATOM 471 N ILE A 30 0.420 4.276 -7.286 1.00 4.57 N ATOM 472 CA ILE A 30 1.657 4.755 -6.751 1.00 5.58 C ATOM 473 C ILE A 30 2.769 4.684 -7.741 1.00 7.26 C ATOM 474 O ILE A 30 3.542 5.613 -7.967 1.00 9.46 O ATOM 475 CB ILE A 30 1.966 3.949 -5.525 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.854 4.140 -4.479 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.284 4.403 -4.875 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.143 3.290 -3.243 1.00 2.00 C ATOM 0 H ILE A 30 0.092 3.443 -6.797 1.00 4.57 H new ATOM 0 HA ILE A 30 1.557 5.810 -6.498 1.00 5.58 H new ATOM 0 HB ILE A 30 2.044 2.907 -5.835 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.785 5.191 -4.199 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.109 3.860 -4.906 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.480 3.799 -3.989 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.101 4.280 -5.586 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.206 5.452 -4.589 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.350 3.433 -2.509 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.189 2.239 -3.527 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.097 3.591 -2.809 1.00 2.00 H new ATOM 490 N GLN A 31 2.834 3.577 -8.503 1.00 7.06 N ATOM 491 CA GLN A 31 3.699 3.499 -9.638 1.00 8.67 C ATOM 492 C GLN A 31 3.403 4.477 -10.722 1.00 10.90 C ATOM 493 O GLN A 31 4.244 5.289 -11.105 1.00 9.63 O ATOM 494 CB GLN A 31 3.753 2.050 -10.153 1.00 9.12 C ATOM 495 CG GLN A 31 4.469 1.790 -11.479 1.00 10.76 C ATOM 496 CD GLN A 31 4.476 0.357 -11.992 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.122 -0.586 -11.287 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.956 0.181 -13.252 1.00 14.76 N ATOM 0 H GLN A 31 2.286 2.734 -8.332 1.00 7.06 H new ATOM 0 HA GLN A 31 4.689 3.796 -9.293 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.234 1.440 -9.388 1.00 9.12 H new ATOM 0 HB3 GLN A 31 2.728 1.691 -10.250 1.00 9.12 H new ATOM 0 HG2 GLN A 31 4.010 2.420 -12.241 1.00 10.76 H new ATOM 0 HG3 GLN A 31 5.503 2.118 -11.375 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.240 0.988 -13.807 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.032 -0.758 -13.642 1.00 14.76 H new ATOM 507 N ASP A 32 2.197 4.544 -11.315 1.00 10.93 N ATOM 508 CA ASP A 32 1.837 5.387 -12.412 1.00 14.01 C ATOM 509 C ASP A 32 1.846 6.853 -12.149 1.00 14.04 C ATOM 510 O ASP A 32 2.373 7.662 -12.911 1.00 13.39 O ATOM 511 CB ASP A 32 0.490 4.777 -12.838 1.00 18.01 C ATOM 512 CG ASP A 32 0.268 4.977 -14.330 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.786 4.154 -15.131 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.334 6.006 -14.737 1.00 25.17 O ATOM 0 H ASP A 32 1.417 3.965 -11.003 1.00 10.93 H new ATOM 0 HA ASP A 32 2.577 5.389 -13.212 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.473 3.713 -12.600 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.321 5.242 -12.277 1.00 18.01 H new ATOM 519 N LYS A 33 1.375 7.339 -10.986 1.00 14.22 N ATOM 520 CA LYS A 33 1.209 8.739 -10.746 1.00 14.00 C ATOM 521 C LYS A 33 2.457 9.320 -10.177 1.00 12.37 C ATOM 522 O LYS A 33 3.122 10.173 -10.763 1.00 12.17 O ATOM 523 CB LYS A 33 0.026 9.053 -9.814 1.00 18.62 C ATOM 524 CG LYS A 33 -1.374 8.768 -10.362 1.00 24.00 C ATOM 525 CD LYS A 33 -1.872 9.842 -11.331 1.00 27.61 C ATOM 526 CE LYS A 33 -3.359 9.686 -11.656 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.899 8.317 -11.813 1.00 30.06 N ATOM 0 H LYS A 33 1.105 6.749 -10.199 1.00 14.22 H new ATOM 0 HA LYS A 33 0.991 9.193 -11.713 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.155 8.481 -8.895 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.077 10.107 -9.542 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.369 7.804 -10.870 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.073 8.686 -9.530 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.698 10.827 -10.898 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.294 9.792 -12.254 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.926 10.180 -10.867 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.557 10.230 -12.579 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.898 8.368 -12.097 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.357 7.812 -12.543 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.822 7.808 -10.910 1.00 30.06 H new ATOM 541 N GLU A 34 2.902 8.926 -8.970 1.00 10.11 N ATOM 542 CA GLU A 34 4.003 9.504 -8.264 1.00 10.07 C ATOM 543 C GLU A 34 5.274 8.897 -8.752 1.00 9.32 C ATOM 544 O GLU A 34 6.259 9.626 -8.650 1.00 11.61 O ATOM 545 CB GLU A 34 3.877 9.211 -6.759 1.00 14.77 C ATOM 546 CG GLU A 34 2.613 9.751 -6.088 1.00 18.75 C ATOM 547 CD GLU A 34 2.196 11.153 -6.508 1.00 22.28 C ATOM 548 OE1 GLU A 34 3.009 12.085 -6.268 1.00 25.19 O ATOM 549 OE2 GLU A 34 1.118 11.347 -7.132 1.00 21.95 O ATOM 0 H GLU A 34 2.467 8.159 -8.458 1.00 10.11 H new ATOM 0 HA GLU A 34 4.002 10.581 -8.433 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.913 8.132 -6.612 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.745 9.631 -6.251 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.790 9.068 -6.299 1.00 18.75 H new ATOM 0 HG3 GLU A 34 2.764 9.744 -5.009 1.00 18.75 H new ATOM 556 N GLY A 35 5.359 7.643 -9.230 1.00 7.22 N ATOM 557 CA GLY A 35 6.424 7.185 -10.067 1.00 6.29 C ATOM 558 C GLY A 35 7.412 6.452 -9.226 1.00 6.93 C ATOM 559 O GLY A 35 8.622 6.673 -9.234 1.00 7.41 O ATOM 0 H GLY A 35 4.664 6.924 -9.027 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.036 6.532 -10.849 1.00 6.29 H new ATOM 0 HA3 GLY A 35 6.903 8.028 -10.564 1.00 6.29 H new ATOM 563 N ILE A 36 6.874 5.568 -8.367 1.00 5.86 N ATOM 564 CA ILE A 36 7.657 4.827 -7.427 1.00 6.07 C ATOM 565 C ILE A 36 7.529 3.401 -7.840 1.00 6.36 C ATOM 566 O ILE A 36 6.437 2.837 -7.876 1.00 6.18 O ATOM 567 CB ILE A 36 7.222 4.919 -5.995 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.120 6.420 -5.677 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.140 4.079 -5.092 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.025 6.701 -4.649 1.00 9.49 C ATOM 0 H ILE A 36 5.876 5.364 -8.324 1.00 5.86 H new ATOM 0 HA ILE A 36 8.666 5.239 -7.450 1.00 6.07 H new ATOM 0 HB ILE A 36 6.243 4.480 -5.803 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.077 6.779 -5.298 1.00 8.52 H new ATOM 0 HG13 ILE A 36 6.912 6.974 -6.593 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.806 4.160 -4.058 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.102 3.035 -5.405 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.164 4.445 -5.173 1.00 7.36 H new ATOM 0 HD11 ILE A 36 5.981 7.771 -4.448 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.064 6.365 -5.040 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.248 6.167 -3.725 1.00 9.49 H new ATOM 582 N PRO A 37 8.575 2.766 -8.279 1.00 8.65 N ATOM 583 CA PRO A 37 8.492 1.585 -9.089 1.00 9.18 C ATOM 584 C PRO A 37 8.153 0.370 -8.296 1.00 9.85 C ATOM 585 O PRO A 37 8.386 0.396 -7.089 1.00 8.51 O ATOM 586 CB PRO A 37 9.797 1.477 -9.874 1.00 11.42 C ATOM 587 CG PRO A 37 10.783 2.133 -8.894 1.00 9.27 C ATOM 588 CD PRO A 37 9.932 3.289 -8.344 1.00 8.33 C ATOM 0 HA PRO A 37 7.664 1.661 -9.793 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.061 0.443 -10.095 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.750 2.004 -10.827 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.101 1.447 -8.109 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.685 2.487 -9.393 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.281 3.602 -7.360 1.00 8.33 H new ATOM 0 HD3 PRO A 37 9.987 4.162 -8.994 1.00 8.33 H new ATOM 596 N PRO A 38 7.601 -0.686 -8.816 1.00 8.71 N ATOM 597 CA PRO A 38 6.932 -1.698 -8.051 1.00 9.08 C ATOM 598 C PRO A 38 7.950 -2.611 -7.460 1.00 9.28 C ATOM 599 O PRO A 38 7.576 -3.403 -6.597 1.00 6.50 O ATOM 600 CB PRO A 38 6.142 -2.395 -9.156 1.00 10.31 C ATOM 601 CG PRO A 38 7.077 -2.402 -10.376 1.00 10.81 C ATOM 602 CD PRO A 38 7.605 -0.965 -10.244 1.00 12.00 C ATOM 0 HA PRO A 38 6.321 -1.346 -7.220 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.867 -3.409 -8.864 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.215 -1.864 -9.373 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.864 -3.153 -10.305 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.551 -2.578 -11.315 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.608 -0.875 -10.660 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.971 -0.262 -10.784 1.00 12.00 H new ATOM 610 N ASP A 39 9.230 -2.475 -7.851 1.00 11.20 N ATOM 611 CA ASP A 39 10.337 -3.210 -7.323 1.00 14.96 C ATOM 612 C ASP A 39 10.752 -2.617 -6.020 1.00 13.99 C ATOM 613 O ASP A 39 11.384 -3.238 -5.167 1.00 13.75 O ATOM 614 CB ASP A 39 11.514 -3.554 -8.251 1.00 24.16 C ATOM 615 CG ASP A 39 12.127 -2.320 -8.898 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.053 -1.778 -8.238 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.835 -1.963 -10.071 1.00 34.22 O ATOM 0 H ASP A 39 9.507 -1.814 -8.577 1.00 11.20 H new ATOM 0 HA ASP A 39 9.943 -4.216 -7.179 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.280 -4.080 -7.681 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.171 -4.236 -9.029 1.00 24.16 H new ATOM 622 N GLN A 40 10.445 -1.317 -5.868 1.00 11.60 N ATOM 623 CA GLN A 40 10.979 -0.492 -4.829 1.00 10.76 C ATOM 624 C GLN A 40 10.065 -0.424 -3.655 1.00 8.01 C ATOM 625 O GLN A 40 10.448 -0.562 -2.494 1.00 8.96 O ATOM 626 CB GLN A 40 11.294 0.925 -5.336 1.00 11.14 C ATOM 627 CG GLN A 40 12.058 1.781 -4.324 1.00 14.85 C ATOM 628 CD GLN A 40 12.457 3.161 -4.825 1.00 16.11 C ATOM 629 OE1 GLN A 40 11.924 4.216 -4.484 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.366 3.137 -5.836 1.00 18.16 N ATOM 0 H GLN A 40 9.804 -0.823 -6.489 1.00 11.60 H new ATOM 0 HA GLN A 40 11.911 -0.957 -4.510 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.879 0.852 -6.253 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.361 1.426 -5.592 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.443 1.898 -3.431 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.958 1.245 -4.023 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.801 2.256 -6.110 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.613 4.000 -6.321 1.00 18.16 H new ATOM 639 N GLN A 41 8.746 -0.367 -3.915 1.00 6.52 N ATOM 640 CA GLN A 41 7.761 -0.340 -2.879 1.00 3.87 C ATOM 641 C GLN A 41 7.398 -1.686 -2.351 1.00 4.79 C ATOM 642 O GLN A 41 7.458 -2.710 -3.029 1.00 6.34 O ATOM 643 CB GLN A 41 6.531 0.497 -3.268 1.00 4.20 C ATOM 644 CG GLN A 41 5.793 0.059 -4.535 1.00 3.20 C ATOM 645 CD GLN A 41 4.498 0.825 -4.763 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.695 0.977 -3.844 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.220 1.332 -5.994 1.00 7.13 N ATOM 0 H GLN A 41 8.358 -0.339 -4.858 1.00 6.52 H new ATOM 0 HA GLN A 41 8.238 0.168 -2.041 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.826 0.479 -2.437 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.847 1.532 -3.395 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.447 0.197 -5.396 1.00 3.20 H new ATOM 0 HG3 GLN A 41 5.572 -1.006 -4.470 1.00 3.20 H new ATOM 0 HE21 GLN A 41 4.884 1.208 -6.758 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.348 1.836 -6.153 1.00 7.13 H new ATOM 656 N ARG A 42 7.058 -1.836 -1.058 1.00 5.73 N ATOM 657 CA ARG A 42 6.428 -2.960 -0.438 1.00 6.97 C ATOM 658 C ARG A 42 5.578 -2.259 0.566 1.00 7.15 C ATOM 659 O ARG A 42 5.961 -1.225 1.109 1.00 7.33 O ATOM 660 CB ARG A 42 7.412 -3.974 0.170 1.00 13.23 C ATOM 661 CG ARG A 42 6.684 -5.032 1.002 1.00 21.27 C ATOM 662 CD ARG A 42 7.538 -6.289 1.182 1.00 26.14 C ATOM 663 NE ARG A 42 7.680 -6.884 -0.176 1.00 32.26 N ATOM 664 CZ ARG A 42 8.457 -7.950 -0.528 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.513 -8.366 0.231 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.324 -8.630 -1.704 1.00 36.39 N ATOM 0 H ARG A 42 7.244 -1.095 -0.382 1.00 5.73 H new ATOM 0 HA ARG A 42 5.878 -3.604 -1.123 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.974 -4.460 -0.627 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.135 -3.451 0.796 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.433 -4.619 1.979 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.745 -5.296 0.516 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.512 -6.042 1.604 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.062 -6.990 1.868 1.00 26.14 H new ATOM 0 HE ARG A 42 7.139 -6.448 -0.923 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.745 -7.875 1.095 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.070 -9.167 -0.066 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.612 -8.349 -2.378 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.937 -9.420 -1.909 1.00 36.39 H new ATOM 680 N LEU A 43 4.374 -2.783 0.857 1.00 4.65 N ATOM 681 CA LEU A 43 3.462 -2.219 1.804 1.00 3.51 C ATOM 682 C LEU A 43 3.309 -3.030 3.044 1.00 5.56 C ATOM 683 O LEU A 43 3.137 -4.246 2.969 1.00 4.19 O ATOM 684 CB LEU A 43 2.082 -2.145 1.129 1.00 3.74 C ATOM 685 CG LEU A 43 1.942 -1.368 -0.191 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.452 -1.366 -0.572 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.496 0.066 -0.162 1.00 9.55 C ATOM 0 H LEU A 43 4.022 -3.632 0.416 1.00 4.65 H new ATOM 0 HA LEU A 43 3.858 -1.247 2.097 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.749 -3.167 0.947 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.388 -1.706 1.845 1.00 3.74 H new ATOM 0 HG LEU A 43 2.555 -1.876 -0.936 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.316 -0.822 -1.506 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.107 -2.392 -0.697 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.125 -0.883 0.217 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.352 0.532 -1.137 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.970 0.644 0.598 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.560 0.040 0.074 1.00 9.55 H new ATOM 699 N ILE A 44 3.407 -2.465 4.261 1.00 4.58 N ATOM 700 CA ILE A 44 3.150 -3.087 5.522 1.00 5.55 C ATOM 701 C ILE A 44 1.993 -2.314 6.055 1.00 5.46 C ATOM 702 O ILE A 44 1.956 -1.086 6.005 1.00 6.04 O ATOM 703 CB ILE A 44 4.326 -3.040 6.453 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.545 -3.730 5.817 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.984 -3.541 7.866 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.266 -5.199 5.502 1.00 13.90 C ATOM 0 H ILE A 44 3.690 -1.491 4.369 1.00 4.58 H new ATOM 0 HA ILE A 44 2.948 -4.153 5.418 1.00 5.55 H new ATOM 0 HB ILE A 44 4.603 -1.996 6.602 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.821 -3.208 4.901 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.397 -3.659 6.493 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.871 -3.485 8.497 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.196 -2.919 8.292 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.642 -4.574 7.813 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.152 -5.650 5.054 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.016 -5.727 6.422 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.431 -5.269 4.805 1.00 13.90 H new ATOM 718 N PHE A 45 1.058 -3.074 6.653 1.00 6.75 N ATOM 719 CA PHE A 45 0.002 -2.461 7.397 1.00 4.70 C ATOM 720 C PHE A 45 -0.038 -3.052 8.764 1.00 6.34 C ATOM 721 O PHE A 45 -0.228 -4.254 8.945 1.00 5.45 O ATOM 722 CB PHE A 45 -1.337 -2.647 6.664 1.00 5.51 C ATOM 723 CG PHE A 45 -2.378 -1.998 7.508 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.551 -0.638 7.398 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.171 -2.714 8.373 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.469 0.019 8.183 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.105 -2.081 9.159 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.250 -0.719 9.041 1.00 6.84 C ATOM 0 H PHE A 45 1.032 -4.093 6.623 1.00 6.75 H new ATOM 0 HA PHE A 45 0.182 -1.390 7.487 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.303 -2.193 5.674 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.557 -3.705 6.522 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -1.959 -0.080 6.687 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.059 -3.786 8.436 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -3.574 1.092 8.127 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.712 -2.642 9.854 1.00 6.64 H new ATOM 0 HZ PHE A 45 -4.997 -0.216 9.638 1.00 6.84 H new ATOM 738 N ALA A 46 0.163 -2.201 9.786 1.00 6.53 N ATOM 739 CA ALA A 46 0.496 -2.402 11.162 1.00 7.15 C ATOM 740 C ALA A 46 1.761 -3.142 11.429 1.00 9.00 C ATOM 741 O ALA A 46 2.678 -2.678 12.106 1.00 11.15 O ATOM 742 CB ALA A 46 -0.726 -3.116 11.766 1.00 8.99 C ATOM 0 H ALA A 46 0.074 -1.201 9.606 1.00 6.53 H new ATOM 0 HA ALA A 46 0.705 -1.436 11.622 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.549 -3.307 12.824 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.608 -2.486 11.653 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.887 -4.062 11.249 1.00 8.99 H new ATOM 748 N GLY A 47 1.835 -4.336 10.814 1.00 9.35 N ATOM 749 CA GLY A 47 2.924 -5.263 10.821 1.00 11.68 C ATOM 750 C GLY A 47 2.568 -6.550 10.161 1.00 11.14 C ATOM 751 O GLY A 47 3.309 -7.508 10.377 1.00 13.93 O ATOM 0 H GLY A 47 1.054 -4.684 10.258 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.780 -4.820 10.312 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.229 -5.456 11.850 1.00 11.68 H new ATOM 755 N LYS A 48 1.523 -6.617 9.316 1.00 10.47 N ATOM 756 CA LYS A 48 1.361 -7.721 8.423 1.00 8.82 C ATOM 757 C LYS A 48 1.758 -7.198 7.085 1.00 7.68 C ATOM 758 O LYS A 48 1.608 -6.011 6.800 1.00 6.47 O ATOM 759 CB LYS A 48 -0.029 -8.355 8.598 1.00 9.74 C ATOM 760 CG LYS A 48 -1.299 -7.512 8.469 1.00 14.14 C ATOM 761 CD LYS A 48 -2.470 -8.476 8.667 1.00 16.32 C ATOM 762 CE LYS A 48 -3.763 -7.660 8.613 1.00 20.04 C ATOM 763 NZ LYS A 48 -4.891 -8.473 9.120 1.00 23.92 N ATOM 0 H LYS A 48 0.792 -5.908 9.252 1.00 10.47 H new ATOM 0 HA LYS A 48 1.998 -8.584 8.616 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.106 -9.163 7.870 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.049 -8.814 9.586 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.317 -6.718 9.216 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.350 -7.032 7.492 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.469 -9.242 7.892 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.383 -8.991 9.624 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.658 -6.755 9.211 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.962 -7.344 7.589 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.767 -7.914 9.081 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.997 -9.324 8.532 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.702 -8.753 10.104 1.00 23.92 H new ATOM 777 N GLN A 49 2.362 -8.073 6.261 1.00 8.89 N ATOM 778 CA GLN A 49 2.762 -7.826 4.911 1.00 7.18 C ATOM 779 C GLN A 49 1.663 -8.105 3.944 1.00 8.23 C ATOM 780 O GLN A 49 1.012 -9.147 4.010 1.00 9.70 O ATOM 781 CB GLN A 49 3.827 -8.852 4.488 1.00 11.67 C ATOM 782 CG GLN A 49 4.672 -8.324 3.327 1.00 15.82 C ATOM 783 CD GLN A 49 5.461 -9.483 2.735 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.130 -10.054 1.697 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.694 -9.721 3.254 1.00 20.67 N ATOM 0 H GLN A 49 2.586 -9.021 6.562 1.00 8.89 H new ATOM 0 HA GLN A 49 3.091 -6.787 4.890 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.472 -9.081 5.336 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.343 -9.783 4.195 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.032 -7.874 2.567 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.349 -7.544 3.676 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.984 -9.256 4.114 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.330 -10.365 2.784 1.00 20.67 H new ATOM 794 N LEU A 50 1.306 -7.123 3.098 1.00 6.51 N ATOM 795 CA LEU A 50 0.138 -7.238 2.280 1.00 7.41 C ATOM 796 C LEU A 50 0.349 -7.703 0.880 1.00 8.27 C ATOM 797 O LEU A 50 1.020 -7.019 0.109 1.00 8.34 O ATOM 798 CB LEU A 50 -0.523 -5.856 2.144 1.00 7.13 C ATOM 799 CG LEU A 50 -0.846 -5.121 3.456 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.466 -3.736 3.201 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.699 -5.961 4.421 1.00 8.14 C ATOM 0 H LEU A 50 1.824 -6.252 2.980 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.458 -7.991 2.795 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.133 -5.221 1.549 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.449 -5.974 1.581 1.00 7.13 H new ATOM 0 HG LEU A 50 0.110 -4.962 3.956 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.679 -3.251 4.154 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.767 -3.124 2.631 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.392 -3.850 2.637 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.893 -5.388 5.328 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.645 -6.216 3.943 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.164 -6.876 4.677 1.00 8.14 H new ATOM 813 N GLU A 51 -0.070 -8.962 0.661 1.00 9.43 N ATOM 814 CA GLU A 51 0.126 -9.692 -0.553 1.00 11.90 C ATOM 815 C GLU A 51 -0.672 -9.179 -1.702 1.00 11.49 C ATOM 816 O GLU A 51 -1.788 -8.701 -1.505 1.00 9.88 O ATOM 817 CB GLU A 51 -0.124 -11.178 -0.245 1.00 16.56 C ATOM 818 CG GLU A 51 0.019 -12.079 -1.474 1.00 26.06 C ATOM 819 CD GLU A 51 -0.030 -13.537 -1.039 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.191 -14.004 -0.891 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.965 -14.309 -0.977 1.00 33.44 O ATOM 0 H GLU A 51 -0.572 -9.499 1.368 1.00 9.43 H new ATOM 0 HA GLU A 51 1.152 -9.555 -0.895 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.577 -11.507 0.522 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -1.126 -11.294 0.168 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.781 -11.873 -2.185 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.960 -11.871 -1.984 1.00 26.06 H new ATOM 828 N ASP A 52 -0.119 -9.164 -2.928 1.00 12.71 N ATOM 829 CA ASP A 52 -0.807 -8.769 -4.118 1.00 16.56 C ATOM 830 C ASP A 52 -2.288 -8.826 -4.274 1.00 15.83 C ATOM 831 O ASP A 52 -3.066 -7.875 -4.231 1.00 17.21 O ATOM 832 CB ASP A 52 -0.197 -9.385 -5.389 1.00 21.05 C ATOM 833 CG ASP A 52 1.145 -8.719 -5.657 1.00 25.12 C ATOM 834 OD1 ASP A 52 1.125 -7.461 -5.720 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.207 -9.395 -5.708 1.00 28.37 O ATOM 0 H ASP A 52 0.849 -9.439 -3.097 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.634 -7.703 -3.971 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.067 -10.460 -5.263 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.866 -9.242 -6.237 1.00 21.05 H new ATOM 840 N GLY A 53 -2.869 -10.022 -4.478 1.00 15.00 N ATOM 841 CA GLY A 53 -4.152 -10.136 -5.099 1.00 11.77 C ATOM 842 C GLY A 53 -5.263 -10.288 -4.117 1.00 11.10 C ATOM 843 O GLY A 53 -6.187 -11.055 -4.385 1.00 11.25 O ATOM 0 H GLY A 53 -2.449 -10.912 -4.212 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -4.333 -9.252 -5.710 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -4.149 -10.994 -5.772 1.00 11.77 H new ATOM 847 N ARG A 54 -5.083 -9.735 -2.905 1.00 8.53 N ATOM 848 CA ARG A 54 -6.062 -9.742 -1.863 1.00 9.05 C ATOM 849 C ARG A 54 -6.683 -8.409 -1.627 1.00 8.96 C ATOM 850 O ARG A 54 -6.103 -7.349 -1.858 1.00 11.60 O ATOM 851 CB ARG A 54 -5.410 -10.240 -0.562 1.00 7.97 C ATOM 852 CG ARG A 54 -4.689 -11.560 -0.846 1.00 9.62 C ATOM 853 CD ARG A 54 -4.159 -12.195 0.441 1.00 12.20 C ATOM 854 NE ARG A 54 -3.672 -13.563 0.108 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.324 -14.756 0.233 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.671 -14.830 0.440 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.532 -15.846 0.014 1.00 25.50 N ATOM 0 H ARG A 54 -4.219 -9.263 -2.640 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.863 -10.409 -2.182 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.706 -9.499 -0.185 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.167 -10.382 0.209 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.373 -12.251 -1.340 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.862 -11.384 -1.534 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.352 -11.594 0.859 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.945 -12.242 1.195 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.724 -13.615 -0.263 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.225 -13.976 0.506 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.124 -15.740 0.529 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.547 -15.722 -0.219 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.925 -16.785 0.084 1.00 25.50 H new ATOM 871 N THR A 55 -7.921 -8.468 -1.104 1.00 9.05 N ATOM 872 CA THR A 55 -8.616 -7.221 -1.025 1.00 9.03 C ATOM 873 C THR A 55 -8.330 -6.582 0.290 1.00 8.15 C ATOM 874 O THR A 55 -7.930 -7.245 1.246 1.00 5.91 O ATOM 875 CB THR A 55 -10.093 -7.376 -1.239 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.632 -8.182 -0.202 1.00 11.95 O ATOM 877 CG2 THR A 55 -10.254 -8.024 -2.625 1.00 11.71 C ATOM 0 H THR A 55 -8.407 -9.298 -0.764 1.00 9.05 H new ATOM 0 HA THR A 55 -8.256 -6.579 -1.829 1.00 9.03 H new ATOM 0 HB THR A 55 -10.629 -6.427 -1.209 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.597 -8.285 -0.336 1.00 11.95 H new ATOM 0 HG21 THR A 55 -11.313 -8.164 -2.840 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.812 -7.377 -3.383 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.751 -8.991 -2.635 1.00 11.71 H new ATOM 885 N LEU A 56 -8.561 -5.262 0.404 1.00 6.91 N ATOM 886 CA LEU A 56 -8.544 -4.486 1.605 1.00 8.29 C ATOM 887 C LEU A 56 -9.531 -4.956 2.617 1.00 8.05 C ATOM 888 O LEU A 56 -9.369 -4.797 3.826 1.00 10.17 O ATOM 889 CB LEU A 56 -8.708 -3.006 1.224 1.00 6.60 C ATOM 890 CG LEU A 56 -7.715 -2.430 0.200 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.408 -1.180 -0.368 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.368 -2.084 0.857 1.00 9.85 C ATOM 0 H LEU A 56 -8.778 -4.692 -0.413 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.585 -4.615 2.107 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.716 -2.868 0.832 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.636 -2.412 2.135 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.476 -3.149 -0.584 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.761 -0.710 -1.109 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -9.349 -1.467 -0.838 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.606 -0.475 0.440 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.690 -1.680 0.106 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.525 -1.343 1.641 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.933 -2.984 1.291 1.00 9.85 H new ATOM 904 N SER A 57 -10.682 -5.512 2.197 1.00 8.92 N ATOM 905 CA SER A 57 -11.682 -6.249 2.905 1.00 9.00 C ATOM 906 C SER A 57 -11.223 -7.451 3.656 1.00 9.44 C ATOM 907 O SER A 57 -11.313 -7.462 4.883 1.00 10.91 O ATOM 908 CB SER A 57 -12.948 -6.548 2.084 1.00 10.32 C ATOM 909 OG SER A 57 -14.038 -6.992 2.879 1.00 13.59 O ATOM 0 H SER A 57 -10.943 -5.428 1.215 1.00 8.92 H new ATOM 0 HA SER A 57 -11.954 -5.532 3.680 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.243 -5.649 1.543 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.718 -7.308 1.337 1.00 10.32 H new ATOM 0 HG SER A 57 -14.813 -7.164 2.305 1.00 13.59 H new ATOM 915 N ASP A 58 -10.618 -8.432 2.964 1.00 9.11 N ATOM 916 CA ASP A 58 -10.032 -9.510 3.699 1.00 7.91 C ATOM 917 C ASP A 58 -8.923 -9.227 4.652 1.00 9.12 C ATOM 918 O ASP A 58 -8.917 -9.718 5.780 1.00 8.61 O ATOM 919 CB ASP A 58 -9.599 -10.493 2.599 1.00 8.41 C ATOM 920 CG ASP A 58 -9.857 -11.930 3.030 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.013 -12.297 3.373 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.913 -12.763 3.078 1.00 10.05 O ATOM 0 H ASP A 58 -10.535 -8.483 1.949 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.774 -9.876 4.408 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -10.144 -10.280 1.679 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.540 -10.358 2.380 1.00 8.41 H new ATOM 927 N TYR A 59 -8.038 -8.248 4.391 1.00 7.97 N ATOM 928 CA TYR A 59 -7.005 -7.817 5.281 1.00 8.45 C ATOM 929 C TYR A 59 -7.449 -6.844 6.318 1.00 10.98 C ATOM 930 O TYR A 59 -6.606 -6.315 7.042 1.00 12.95 O ATOM 931 CB TYR A 59 -5.827 -7.235 4.482 1.00 7.94 C ATOM 932 CG TYR A 59 -4.696 -8.123 4.087 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.176 -9.069 4.939 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.374 -8.066 2.752 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.118 -9.844 4.527 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.370 -8.909 2.338 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.719 -9.744 3.215 1.00 6.76 C ATOM 938 OH TYR A 59 -1.754 -10.577 2.608 1.00 7.63 O ATOM 0 H TYR A 59 -8.044 -7.730 3.512 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.694 -8.709 5.825 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.235 -6.800 3.569 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.409 -6.415 5.067 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.596 -9.202 5.925 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.879 -7.399 2.069 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.616 -10.511 5.212 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.085 -8.915 1.296 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.769 -11.459 3.034 1.00 7.63 H new ATOM 948 N ASN A 60 -8.748 -6.506 6.397 1.00 12.38 N ATOM 949 CA ASN A 60 -9.454 -5.722 7.363 1.00 13.94 C ATOM 950 C ASN A 60 -9.070 -4.283 7.407 1.00 14.16 C ATOM 951 O ASN A 60 -9.115 -3.603 8.430 1.00 14.26 O ATOM 952 CB ASN A 60 -9.302 -6.274 8.790 1.00 19.23 C ATOM 953 CG ASN A 60 -10.065 -7.572 9.010 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.506 -8.471 9.638 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.386 -7.555 8.687 1.00 24.09 N ATOM 0 H ASN A 60 -9.391 -6.833 5.676 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.486 -5.793 7.020 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.245 -6.440 8.999 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.654 -5.527 9.502 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.990 -8.327 8.969 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.773 -6.770 8.163 1.00 24.09 H new ATOM 962 N ILE A 61 -8.644 -3.704 6.270 1.00 11.08 N ATOM 963 CA ILE A 61 -8.114 -2.382 6.147 1.00 11.78 C ATOM 964 C ILE A 61 -9.108 -1.314 5.846 1.00 13.74 C ATOM 965 O ILE A 61 -9.729 -1.401 4.787 1.00 14.60 O ATOM 966 CB ILE A 61 -6.957 -2.307 5.195 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.932 -3.420 5.473 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.344 -0.901 5.081 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.737 -3.444 4.522 1.00 11.42 C ATOM 0 H ILE A 61 -8.672 -4.194 5.376 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.756 -2.170 7.154 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.352 -2.496 4.197 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.564 -3.309 6.493 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.440 -4.383 5.420 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.513 -0.922 4.376 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.102 -0.201 4.728 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -5.982 -0.581 6.058 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.070 -4.261 4.796 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.088 -3.589 3.500 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.199 -2.498 4.590 1.00 11.42 H new ATOM 981 N GLN A 62 -9.438 -0.507 6.870 1.00 13.97 N ATOM 982 CA GLN A 62 -10.527 0.418 6.810 1.00 15.52 C ATOM 983 C GLN A 62 -10.081 1.818 6.566 1.00 13.94 C ATOM 984 O GLN A 62 -8.925 2.135 6.290 1.00 12.15 O ATOM 985 CB GLN A 62 -11.307 0.331 8.133 1.00 19.53 C ATOM 986 CG GLN A 62 -11.898 -1.058 8.381 1.00 26.38 C ATOM 987 CD GLN A 62 -12.910 -1.018 9.516 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.468 -0.040 10.013 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.226 -2.244 10.014 1.00 32.71 N ATOM 0 H GLN A 62 -8.938 -0.497 7.759 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.161 0.147 5.965 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.644 0.592 8.958 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.111 1.067 8.125 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.378 -1.422 7.472 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.100 -1.760 8.623 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.786 -3.080 9.629 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.903 -2.327 10.772 1.00 32.71 H new ATOM 998 N LYS A 63 -11.076 2.723 6.542 1.00 11.73 N ATOM 999 CA LYS A 63 -10.948 4.099 6.173 1.00 11.97 C ATOM 1000 C LYS A 63 -9.917 4.878 6.914 1.00 10.41 C ATOM 1001 O LYS A 63 -9.658 4.705 8.104 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.353 4.707 6.023 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.071 4.908 7.359 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.367 5.673 7.083 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.311 5.766 8.284 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.114 6.969 9.123 1.00 25.97 N ATOM 0 H LYS A 63 -12.032 2.476 6.797 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.483 4.164 5.189 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.273 5.667 5.513 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.956 4.058 5.388 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.287 3.947 7.825 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.440 5.464 8.052 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.117 6.681 6.753 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.892 5.189 6.259 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.340 5.753 7.924 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.179 4.879 8.904 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.791 6.956 9.913 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -14.144 6.976 9.498 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.269 7.822 8.549 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.291 5.852 6.229 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.102 6.552 6.606 1.00 10.94 C ATOM 1022 C GLU A 64 -7.020 5.750 7.243 1.00 9.74 C ATOM 1023 O GLU A 64 -6.407 6.122 8.242 1.00 9.42 O ATOM 1024 CB GLU A 64 -8.516 7.737 7.495 1.00 18.31 C ATOM 1025 CG GLU A 64 -9.561 8.686 6.906 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.050 9.769 7.858 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -9.200 10.638 8.190 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.244 9.750 8.258 1.00 31.72 O ATOM 0 H GLU A 64 -9.651 6.177 5.332 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.633 6.874 5.676 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -8.902 7.343 8.435 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -7.623 8.315 7.734 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.140 9.163 6.021 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.418 8.099 6.575 1.00 24.16 H new ATOM 1035 N SER A 65 -6.703 4.572 6.677 1.00 6.85 N ATOM 1036 CA SER A 65 -5.661 3.724 7.167 1.00 6.90 C ATOM 1037 C SER A 65 -4.371 4.199 6.593 1.00 4.72 C ATOM 1038 O SER A 65 -4.152 4.562 5.438 1.00 3.91 O ATOM 1039 CB SER A 65 -5.762 2.290 6.621 1.00 7.28 C ATOM 1040 OG SER A 65 -6.685 1.417 7.255 1.00 10.56 O ATOM 0 H SER A 65 -7.183 4.199 5.858 1.00 6.85 H new ATOM 0 HA SER A 65 -5.733 3.745 8.254 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.024 2.349 5.565 1.00 7.28 H new ATOM 0 HB3 SER A 65 -4.773 1.836 6.680 1.00 7.28 H new ATOM 0 HG SER A 65 -7.573 1.831 7.264 1.00 10.56 H new ATOM 1046 N THR A 66 -3.400 4.175 7.524 1.00 4.48 N ATOM 1047 CA THR A 66 -2.024 4.493 7.305 1.00 3.80 C ATOM 1048 C THR A 66 -1.314 3.288 6.792 1.00 4.60 C ATOM 1049 O THR A 66 -0.955 2.317 7.455 1.00 5.33 O ATOM 1050 CB THR A 66 -1.330 4.982 8.542 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.146 5.914 9.238 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.054 5.718 8.100 1.00 3.40 C ATOM 0 H THR A 66 -3.590 3.916 8.492 1.00 4.48 H new ATOM 0 HA THR A 66 -1.997 5.304 6.577 1.00 3.80 H new ATOM 0 HB THR A 66 -1.113 4.135 9.193 1.00 2.85 H new ATOM 0 HG1 THR A 66 -1.679 6.221 10.043 1.00 2.15 H new ATOM 0 HG21 THR A 66 0.476 6.087 8.978 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.590 5.032 7.550 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.322 6.557 7.458 1.00 3.40 H new ATOM 1060 N LEU A 67 -0.901 3.345 5.513 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.067 2.359 4.899 1.00 3.85 C ATOM 1062 C LEU A 67 1.405 2.589 4.875 1.00 3.80 C ATOM 1063 O LEU A 67 1.805 3.643 4.385 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.563 1.768 3.568 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.644 0.680 3.680 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.072 1.059 4.105 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.768 -0.084 2.351 1.00 8.12 C ATOM 0 H LEU A 67 -1.157 4.106 4.884 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.205 1.588 5.657 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.954 2.580 2.955 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.292 1.351 3.037 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.255 0.100 4.517 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.694 0.164 4.128 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.049 1.511 5.097 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.487 1.771 3.392 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.536 -0.852 2.443 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.042 0.610 1.556 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.814 -0.553 2.110 1.00 8.12 H new ATOM 1079 N HIS A 68 2.156 1.664 5.499 1.00 2.94 N ATOM 1080 CA HIS A 68 3.560 1.869 5.676 1.00 4.17 C ATOM 1081 C HIS A 68 4.220 1.209 4.515 1.00 5.32 C ATOM 1082 O HIS A 68 4.433 0.004 4.389 1.00 7.70 O ATOM 1083 CB HIS A 68 4.125 1.241 6.961 1.00 5.57 C ATOM 1084 CG HIS A 68 3.638 1.683 8.309 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.373 3.008 8.591 1.00 13.74 N ATOM 1086 CD2 HIS A 68 3.113 1.025 9.378 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.711 3.091 9.776 1.00 14.75 C ATOM 1088 NE2 HIS A 68 2.622 1.896 10.329 1.00 16.30 N ATOM 0 H HIS A 68 1.798 0.786 5.876 1.00 2.94 H new ATOM 0 HA HIS A 68 3.745 2.941 5.749 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.954 0.167 6.895 1.00 5.57 H new ATOM 0 HB3 HIS A 68 5.204 1.393 6.944 1.00 5.57 H new ATOM 0 HD2 HIS A 68 3.084 -0.051 9.471 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.316 4.001 10.202 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.267 1.666 11.257 1.00 16.30 H new ATOM 1096 N LEU A 69 4.546 2.099 3.560 1.00 5.29 N ATOM 1097 CA LEU A 69 5.286 1.830 2.366 1.00 3.97 C ATOM 1098 C LEU A 69 6.746 1.847 2.659 1.00 5.07 C ATOM 1099 O LEU A 69 7.326 2.861 3.045 1.00 4.34 O ATOM 1100 CB LEU A 69 4.897 2.911 1.343 1.00 6.08 C ATOM 1101 CG LEU A 69 5.395 2.719 -0.100 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.560 3.571 -1.071 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.886 3.017 -0.334 1.00 6.87 C ATOM 0 H LEU A 69 4.271 3.079 3.629 1.00 5.29 H new ATOM 0 HA LEU A 69 5.056 0.843 1.965 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.809 2.979 1.320 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.269 3.869 1.705 1.00 6.08 H new ATOM 0 HG LEU A 69 5.270 1.653 -0.289 1.00 7.37 H new ATOM 0 HD11 LEU A 69 4.924 3.425 -2.088 1.00 9.96 H new ATOM 0 HD12 LEU A 69 3.514 3.269 -1.013 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.650 4.623 -0.801 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.130 2.850 -1.383 1.00 6.87 H new ATOM 0 HD22 LEU A 69 7.095 4.055 -0.074 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.491 2.358 0.289 1.00 6.87 H new ATOM 1115 N VAL A 70 7.366 0.670 2.459 1.00 4.29 N ATOM 1116 CA VAL A 70 8.688 0.372 2.916 1.00 6.26 C ATOM 1117 C VAL A 70 9.653 0.150 1.802 1.00 9.22 C ATOM 1118 O VAL A 70 9.335 -0.048 0.630 1.00 9.36 O ATOM 1119 CB VAL A 70 8.844 -0.693 3.960 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.779 -0.565 5.063 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.865 -2.051 3.239 1.00 8.54 C ATOM 0 H VAL A 70 6.929 -0.104 1.959 1.00 4.29 H new ATOM 0 HA VAL A 70 8.933 1.295 3.442 1.00 6.26 H new ATOM 0 HB VAL A 70 9.785 -0.585 4.499 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.924 -1.353 5.802 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.872 0.407 5.547 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.786 -0.658 4.623 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.978 -2.850 3.972 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.931 -2.188 2.693 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.701 -2.079 2.540 1.00 8.54 H new ATOM 1131 N LEU A 71 10.962 0.150 2.110 1.00 12.71 N ATOM 1132 CA LEU A 71 11.963 -0.192 1.147 1.00 16.06 C ATOM 1133 C LEU A 71 12.015 -1.633 0.772 1.00 18.09 C ATOM 1134 O LEU A 71 12.301 -2.483 1.613 1.00 19.26 O ATOM 1135 CB LEU A 71 13.346 0.338 1.560 1.00 17.10 C ATOM 1136 CG LEU A 71 14.461 0.361 0.501 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.142 1.402 -0.585 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.774 0.788 1.179 1.00 17.51 C ATOM 0 H LEU A 71 11.329 0.388 3.031 1.00 12.71 H new ATOM 0 HA LEU A 71 11.652 0.315 0.234 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.216 1.355 1.929 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.696 -0.263 2.399 1.00 17.10 H new ATOM 0 HG LEU A 71 14.544 -0.630 0.055 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.939 1.408 -1.328 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.198 1.147 -1.067 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.062 2.389 -0.130 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.575 0.809 0.440 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.654 1.781 1.612 1.00 17.51 H new ATOM 0 HD23 LEU A 71 16.025 0.077 1.966 1.00 17.51 H new ATOM 1150 N ARG A 72 11.900 -2.047 -0.502 1.00 21.47 N ATOM 1151 CA ARG A 72 11.876 -3.422 -0.893 1.00 25.83 C ATOM 1152 C ARG A 72 13.163 -3.933 -1.443 1.00 27.74 C ATOM 1153 O ARG A 72 13.874 -3.326 -2.243 1.00 30.65 O ATOM 1154 CB ARG A 72 10.728 -3.760 -1.859 1.00 28.49 C ATOM 1155 CG ARG A 72 10.786 -5.154 -2.488 1.00 31.79 C ATOM 1156 CD ARG A 72 9.486 -5.403 -3.255 1.00 34.05 C ATOM 1157 NE ARG A 72 9.598 -6.639 -4.081 1.00 35.08 N ATOM 1158 CZ ARG A 72 8.788 -6.987 -5.123 1.00 34.67 C ATOM 1159 NH1 ARG A 72 7.761 -6.171 -5.500 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.090 -8.104 -5.847 1.00 34.97 N ATOM 0 H ARG A 72 11.821 -1.402 -1.288 1.00 21.47 H new ATOM 0 HA ARG A 72 11.701 -3.941 0.049 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.784 -3.661 -1.323 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.719 -3.019 -2.659 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.641 -5.230 -3.160 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.920 -5.911 -1.716 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.656 -5.500 -2.555 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.265 -4.549 -3.895 1.00 34.05 H new ATOM 0 HE ARG A 72 10.351 -7.286 -3.845 1.00 35.08 H new ATOM 0 HH11 ARG A 72 7.596 -5.296 -5.002 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.159 -6.436 -6.279 1.00 35.02 H new ATOM 0 HH21 ARG A 72 9.909 -8.662 -5.606 1.00 34.97 H new ATOM 0 HH22 ARG A 72 8.497 -8.380 -6.629 1.00 34.97 H new ATOM 1174 N LEU A 73 13.566 -5.099 -0.906 1.00 28.93 N ATOM 1175 CA LEU A 73 14.849 -5.660 -1.197 1.00 30.76 C ATOM 1176 C LEU A 73 14.687 -7.079 -1.621 1.00 32.18 C ATOM 1177 O LEU A 73 13.656 -7.711 -1.394 1.00 32.31 O ATOM 1178 CB LEU A 73 15.696 -5.737 0.084 1.00 30.53 C ATOM 1179 CG LEU A 73 16.070 -4.423 0.791 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.799 -4.685 2.119 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.002 -3.569 -0.085 1.00 29.57 C ATOM 0 H LEU A 73 12.999 -5.656 -0.266 1.00 28.93 H new ATOM 0 HA LEU A 73 15.312 -5.038 -1.963 1.00 30.76 H new ATOM 0 HB2 LEU A 73 15.159 -6.359 0.800 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.622 -6.258 -0.160 1.00 30.53 H new ATOM 0 HG LEU A 73 15.133 -3.898 0.976 1.00 30.16 H new ATOM 0 HD11 LEU A 73 17.048 -3.735 2.591 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.153 -5.261 2.781 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.714 -5.246 1.927 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.250 -2.646 0.440 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.916 -4.125 -0.293 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.501 -3.330 -1.023 1.00 29.57 H new ATOM 1193 N ARG A 74 15.737 -7.621 -2.263 1.00 33.82 N ATOM 1194 CA ARG A 74 15.809 -8.932 -2.830 1.00 35.33 C ATOM 1195 C ARG A 74 15.782 -10.088 -1.891 1.00 36.22 C ATOM 1196 O ARG A 74 16.137 -9.929 -0.724 1.00 36.70 O ATOM 1197 CB ARG A 74 17.005 -9.127 -3.777 1.00 36.91 C ATOM 1198 CG ARG A 74 16.854 -10.178 -4.878 1.00 38.62 C ATOM 1199 CD ARG A 74 15.791 -9.854 -5.930 1.00 39.75 C ATOM 1200 NE ARG A 74 16.321 -8.695 -6.702 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.521 -8.035 -7.589 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.423 -8.577 -8.192 1.00 42.75 N ATOM 1203 NH2 ARG A 74 15.878 -6.768 -7.947 1.00 41.93 N ATOM 0 H ARG A 74 16.604 -7.100 -2.395 1.00 33.82 H new ATOM 0 HA ARG A 74 14.866 -8.950 -3.377 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.222 -8.169 -4.250 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.875 -9.390 -3.175 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.815 -10.301 -5.378 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.610 -11.135 -4.417 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.613 -10.709 -6.582 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.839 -9.608 -5.460 1.00 39.75 H new ATOM 0 HE ARG A 74 17.286 -8.394 -6.567 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.152 -9.539 -7.989 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.873 -8.020 -8.846 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.719 -6.345 -7.554 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.304 -6.244 -8.608 1.00 41.93 H new ATOM 1217 N GLY A 75 15.205 -11.210 -2.357 1.00 36.31 N ATOM 1218 CA GLY A 75 15.079 -12.463 -1.679 1.00 36.07 C ATOM 1219 C GLY A 75 13.696 -13.014 -1.727 1.00 36.16 C ATOM 1220 O GLY A 75 13.440 -14.162 -2.086 1.00 36.26 O ATOM 0 H GLY A 75 14.791 -11.241 -3.289 1.00 36.31 H new ATOM 0 HA2 GLY A 75 15.766 -13.182 -2.125 1.00 36.07 H new ATOM 0 HA3 GLY A 75 15.379 -12.339 -0.638 1.00 36.07 H new ATOM 1224 N GLY A 76 12.738 -12.172 -1.299 1.00 36.05 N ATOM 1225 CA GLY A 76 11.345 -12.495 -1.334 1.00 36.19 C ATOM 1226 C GLY A 76 10.493 -11.263 -1.065 1.00 36.20 C ATOM 1227 O GLY A 76 9.515 -10.977 -1.807 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.755 -10.660 0.010 1.00 36.27 O ATOM 0 H GLY A 76 12.936 -11.246 -0.920 1.00 36.05 H new ATOM 0 HA2 GLY A 76 11.089 -12.913 -2.308 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.127 -13.262 -0.591 1.00 36.19 H new TER 1232 GLY A 76