USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl 167:sc= -0.655 (180deg=-0.521) USER MOD Set 1.2: A 45 CYS SG : rot 81:sc= -0.08 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= -1.22 USER MOD Set 2.2: A 7 MET CE :methyl 180:sc= -0.0608 (180deg=-0.0608) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.777) USER MOD Single : A 14 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.6) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -80:sc= -1.06! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 26 ASN : amide:sc= 1.37 K(o=1.4,f=-0.058) USER MOD Single : A 40 SER OG : rot -102:sc= 0.399 USER MOD Single : A 48 HIS : no HE2:sc= -0.507 K(o=-0.51,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= 0.482 (180deg=0.236) USER MOD Single : A 60 ASN : amide:sc= 1.99 K(o=2,f=-0.46) USER MOD Single : A 62 TYR OH : rot -160:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.582 -0.836 2.206 1.00 5.12 N ATOM 43 CA ILE A 3 8.291 -1.528 2.291 1.00 52.35 C ATOM 44 C ILE A 3 8.357 -2.936 1.683 1.00 50.22 C ATOM 45 O ILE A 3 8.972 -3.147 0.636 1.00 33.12 O ATOM 46 CB ILE A 3 7.173 -0.716 1.582 1.00 63.13 C ATOM 47 CG1 ILE A 3 7.040 0.678 2.217 1.00 65.02 C ATOM 48 CG2 ILE A 3 5.835 -1.461 1.630 1.00 75.21 C ATOM 49 CD1 ILE A 3 6.664 0.657 3.686 1.00 71.05 C ATOM 0 HA ILE A 3 8.055 -1.618 3.351 1.00 52.35 H new ATOM 0 HB ILE A 3 7.452 -0.597 0.535 1.00 63.13 H new ATOM 0 HG12 ILE A 3 7.985 1.209 2.103 1.00 65.02 H new ATOM 0 HG13 ILE A 3 6.288 1.245 1.669 1.00 65.02 H new ATOM 0 HG21 ILE A 3 5.071 -0.869 1.126 1.00 75.21 H new ATOM 0 HG22 ILE A 3 5.937 -2.424 1.130 1.00 75.21 H new ATOM 0 HG23 ILE A 3 5.544 -1.620 2.668 1.00 75.21 H new ATOM 0 HD11 ILE A 3 6.591 1.679 4.057 1.00 71.05 H new ATOM 0 HD12 ILE A 3 5.704 0.156 3.809 1.00 71.05 H new ATOM 0 HD13 ILE A 3 7.427 0.120 4.249 1.00 71.05 H new ATOM 61 N THR A 4 7.716 -3.899 2.342 1.00 22.41 N ATOM 62 CA THR A 4 7.676 -5.284 1.851 1.00 64.22 C ATOM 63 C THR A 4 6.232 -5.746 1.628 1.00 72.30 C ATOM 64 O THR A 4 5.294 -5.159 2.165 1.00 34.21 O ATOM 65 CB THR A 4 8.363 -6.264 2.831 1.00 3.11 C ATOM 66 OG1 THR A 4 7.613 -6.360 4.053 1.00 21.50 O ATOM 67 CG2 THR A 4 9.792 -5.821 3.138 1.00 73.44 C ATOM 0 H THR A 4 7.215 -3.750 3.218 1.00 22.41 H new ATOM 0 HA THR A 4 8.218 -5.292 0.905 1.00 64.22 H new ATOM 0 HB THR A 4 8.398 -7.243 2.353 1.00 3.11 H new ATOM 0 HG1 THR A 4 8.059 -6.985 4.662 1.00 21.50 H new ATOM 0 HG21 THR A 4 10.251 -6.528 3.829 1.00 73.44 H new ATOM 0 HG22 THR A 4 10.370 -5.789 2.214 1.00 73.44 H new ATOM 0 HG23 THR A 4 9.776 -4.829 3.590 1.00 73.44 H new ATOM 75 N LYS A 5 6.053 -6.814 0.849 1.00 42.41 N ATOM 76 CA LYS A 5 4.709 -7.312 0.517 1.00 33.40 C ATOM 77 C LYS A 5 4.010 -7.928 1.747 1.00 74.34 C ATOM 78 O LYS A 5 2.782 -8.047 1.784 1.00 54.23 O ATOM 79 CB LYS A 5 4.825 -8.348 -0.603 1.00 21.02 C ATOM 80 CG LYS A 5 5.666 -9.549 -0.199 1.00 2.43 C ATOM 81 CD LYS A 5 5.937 -10.491 -1.361 1.00 34.32 C ATOM 82 CE LYS A 5 6.880 -11.605 -0.936 1.00 41.32 C ATOM 83 NZ LYS A 5 6.263 -12.508 0.079 1.00 54.13 N ATOM 0 H LYS A 5 6.815 -7.351 0.436 1.00 42.41 H new ATOM 0 HA LYS A 5 4.098 -6.472 0.186 1.00 33.40 H new ATOM 0 HB2 LYS A 5 3.828 -8.685 -0.887 1.00 21.02 H new ATOM 0 HB3 LYS A 5 5.265 -7.879 -1.483 1.00 21.02 H new ATOM 0 HG2 LYS A 5 6.614 -9.202 0.211 1.00 2.43 H new ATOM 0 HG3 LYS A 5 5.156 -10.095 0.595 1.00 2.43 H new ATOM 0 HD2 LYS A 5 4.999 -10.917 -1.718 1.00 34.32 H new ATOM 0 HD3 LYS A 5 6.372 -9.936 -2.193 1.00 34.32 H new ATOM 0 HE2 LYS A 5 7.169 -12.188 -1.811 1.00 41.32 H new ATOM 0 HE3 LYS A 5 7.792 -11.171 -0.527 1.00 41.32 H new ATOM 0 HZ1 LYS A 5 6.860 -13.351 0.202 1.00 54.13 H new ATOM 0 HZ2 LYS A 5 6.181 -12.006 0.986 1.00 54.13 H new ATOM 0 HZ3 LYS A 5 5.317 -12.797 -0.243 1.00 54.13 H new ATOM 97 N ASP A 6 4.806 -8.320 2.740 1.00 54.11 N ATOM 98 CA ASP A 6 4.287 -8.905 3.983 1.00 72.01 C ATOM 99 C ASP A 6 3.653 -7.836 4.896 1.00 70.03 C ATOM 100 O ASP A 6 2.828 -8.150 5.762 1.00 45.13 O ATOM 101 CB ASP A 6 5.424 -9.635 4.713 1.00 12.54 C ATOM 102 CG ASP A 6 4.999 -10.210 6.053 1.00 63.41 C ATOM 103 OD1 ASP A 6 4.252 -11.210 6.073 1.00 34.03 O ATOM 104 OD2 ASP A 6 5.414 -9.664 7.098 1.00 61.14 O ATOM 0 H ASP A 6 5.823 -8.244 2.710 1.00 54.11 H new ATOM 0 HA ASP A 6 3.500 -9.615 3.728 1.00 72.01 H new ATOM 0 HB2 ASP A 6 5.796 -10.441 4.080 1.00 12.54 H new ATOM 0 HB3 ASP A 6 6.252 -8.943 4.867 1.00 12.54 H new ATOM 109 N MET A 7 4.035 -6.576 4.697 1.00 32.01 N ATOM 110 CA MET A 7 3.512 -5.468 5.504 1.00 2.54 C ATOM 111 C MET A 7 1.993 -5.289 5.328 1.00 21.12 C ATOM 112 O MET A 7 1.423 -5.622 4.285 1.00 73.12 O ATOM 113 CB MET A 7 4.245 -4.164 5.151 1.00 71.13 C ATOM 114 CG MET A 7 5.716 -4.162 5.546 1.00 51.13 C ATOM 115 SD MET A 7 6.559 -2.640 5.078 1.00 63.42 S ATOM 116 CE MET A 7 8.183 -2.913 5.790 1.00 24.33 C ATOM 0 H MET A 7 4.706 -6.293 3.983 1.00 32.01 H new ATOM 0 HA MET A 7 3.691 -5.713 6.551 1.00 2.54 H new ATOM 0 HB2 MET A 7 4.166 -3.992 4.077 1.00 71.13 H new ATOM 0 HB3 MET A 7 3.744 -3.331 5.645 1.00 71.13 H new ATOM 0 HG2 MET A 7 5.799 -4.302 6.624 1.00 51.13 H new ATOM 0 HG3 MET A 7 6.216 -5.009 5.075 1.00 51.13 H new ATOM 0 HE1 MET A 7 8.820 -2.053 5.583 1.00 24.33 H new ATOM 0 HE2 MET A 7 8.090 -3.044 6.868 1.00 24.33 H new ATOM 0 HE3 MET A 7 8.626 -3.807 5.352 1.00 24.33 H new ATOM 126 N ILE A 8 1.345 -4.764 6.363 1.00 13.22 N ATOM 127 CA ILE A 8 -0.102 -4.535 6.346 1.00 64.24 C ATOM 128 C ILE A 8 -0.443 -3.198 5.668 1.00 25.13 C ATOM 129 O ILE A 8 0.123 -2.160 6.008 1.00 71.13 O ATOM 130 CB ILE A 8 -0.677 -4.538 7.786 1.00 3.43 C ATOM 131 CG1 ILE A 8 -0.367 -5.872 8.491 1.00 22.01 C ATOM 132 CG2 ILE A 8 -2.183 -4.263 7.778 1.00 73.54 C ATOM 133 CD1 ILE A 8 -0.974 -7.088 7.821 1.00 15.42 C ATOM 0 H ILE A 8 1.800 -4.486 7.232 1.00 13.22 H new ATOM 0 HA ILE A 8 -0.553 -5.347 5.776 1.00 64.24 H new ATOM 0 HB ILE A 8 -0.195 -3.736 8.344 1.00 3.43 H new ATOM 0 HG12 ILE A 8 0.714 -6.001 8.540 1.00 22.01 H new ATOM 0 HG13 ILE A 8 -0.729 -5.819 9.518 1.00 22.01 H new ATOM 0 HG21 ILE A 8 -2.560 -4.271 8.801 1.00 73.54 H new ATOM 0 HG22 ILE A 8 -2.372 -3.288 7.329 1.00 73.54 H new ATOM 0 HG23 ILE A 8 -2.691 -5.034 7.198 1.00 73.54 H new ATOM 0 HD11 ILE A 8 -0.707 -7.984 8.382 1.00 15.42 H new ATOM 0 HD12 ILE A 8 -2.059 -6.986 7.796 1.00 15.42 H new ATOM 0 HD13 ILE A 8 -0.594 -7.170 6.803 1.00 15.42 H new ATOM 145 N ILE A 9 -1.384 -3.226 4.727 1.00 42.53 N ATOM 146 CA ILE A 9 -1.791 -2.018 3.993 1.00 23.31 C ATOM 147 C ILE A 9 -2.212 -0.879 4.946 1.00 74.45 C ATOM 148 O ILE A 9 -1.775 0.266 4.793 1.00 31.43 O ATOM 149 CB ILE A 9 -2.944 -2.335 3.010 1.00 34.35 C ATOM 150 CG1 ILE A 9 -2.482 -3.385 1.981 1.00 65.32 C ATOM 151 CG2 ILE A 9 -3.435 -1.062 2.317 1.00 63.44 C ATOM 152 CD1 ILE A 9 -3.542 -3.780 0.973 1.00 12.34 C ATOM 0 H ILE A 9 -1.883 -4.071 4.450 1.00 42.53 H new ATOM 0 HA ILE A 9 -0.922 -1.680 3.428 1.00 23.31 H new ATOM 0 HB ILE A 9 -3.782 -2.746 3.572 1.00 34.35 H new ATOM 0 HG12 ILE A 9 -1.616 -2.995 1.446 1.00 65.32 H new ATOM 0 HG13 ILE A 9 -2.153 -4.278 2.513 1.00 65.32 H new ATOM 0 HG21 ILE A 9 -4.245 -1.310 1.631 1.00 63.44 H new ATOM 0 HG22 ILE A 9 -3.796 -0.357 3.065 1.00 63.44 H new ATOM 0 HG23 ILE A 9 -2.614 -0.611 1.760 1.00 63.44 H new ATOM 0 HD11 ILE A 9 -3.133 -4.522 0.287 1.00 12.34 H new ATOM 0 HD12 ILE A 9 -4.401 -4.202 1.495 1.00 12.34 H new ATOM 0 HD13 ILE A 9 -3.855 -2.900 0.411 1.00 12.34 H new ATOM 164 N ALA A 10 -3.046 -1.198 5.934 1.00 12.20 N ATOM 165 CA ALA A 10 -3.465 -0.214 6.941 1.00 11.43 C ATOM 166 C ALA A 10 -2.260 0.334 7.723 1.00 32.14 C ATOM 167 O ALA A 10 -2.221 1.510 8.084 1.00 24.45 O ATOM 168 CB ALA A 10 -4.477 -0.832 7.901 1.00 15.04 C ATOM 0 H ALA A 10 -3.447 -2.127 6.062 1.00 12.20 H new ATOM 0 HA ALA A 10 -3.935 0.618 6.417 1.00 11.43 H new ATOM 0 HB1 ALA A 10 -4.777 -0.090 8.641 1.00 15.04 H new ATOM 0 HB2 ALA A 10 -5.353 -1.163 7.343 1.00 15.04 H new ATOM 0 HB3 ALA A 10 -4.025 -1.686 8.406 1.00 15.04 H new ATOM 174 N ASP A 11 -1.276 -0.528 7.973 1.00 11.40 N ATOM 175 CA ASP A 11 -0.063 -0.133 8.694 1.00 42.54 C ATOM 176 C ASP A 11 0.784 0.832 7.846 1.00 32.11 C ATOM 177 O ASP A 11 1.335 1.808 8.359 1.00 4.53 O ATOM 178 CB ASP A 11 0.745 -1.375 9.078 1.00 12.25 C ATOM 179 CG ASP A 11 1.932 -1.049 9.966 1.00 43.14 C ATOM 180 OD1 ASP A 11 1.712 -0.619 11.115 1.00 42.24 O ATOM 181 OD2 ASP A 11 3.085 -1.239 9.526 1.00 41.13 O ATOM 0 H ASP A 11 -1.293 -1.507 7.687 1.00 11.40 H new ATOM 0 HA ASP A 11 -0.351 0.389 9.606 1.00 42.54 H new ATOM 0 HB2 ASP A 11 0.094 -2.082 9.593 1.00 12.25 H new ATOM 0 HB3 ASP A 11 1.098 -1.868 8.172 1.00 12.25 H new ATOM 186 N VAL A 12 0.869 0.566 6.543 1.00 3.21 N ATOM 187 CA VAL A 12 1.514 1.495 5.608 1.00 50.33 C ATOM 188 C VAL A 12 0.808 2.862 5.648 1.00 44.14 C ATOM 189 O VAL A 12 1.451 3.915 5.658 1.00 31.52 O ATOM 190 CB VAL A 12 1.500 0.941 4.158 1.00 13.02 C ATOM 191 CG1 VAL A 12 2.198 1.905 3.194 1.00 11.21 C ATOM 192 CG2 VAL A 12 2.143 -0.448 4.103 1.00 42.51 C ATOM 0 H VAL A 12 0.502 -0.281 6.109 1.00 3.21 H new ATOM 0 HA VAL A 12 2.552 1.611 5.918 1.00 50.33 H new ATOM 0 HB VAL A 12 0.461 0.848 3.842 1.00 13.02 H new ATOM 0 HG11 VAL A 12 2.174 1.492 2.185 1.00 11.21 H new ATOM 0 HG12 VAL A 12 1.684 2.866 3.205 1.00 11.21 H new ATOM 0 HG13 VAL A 12 3.234 2.044 3.504 1.00 11.21 H new ATOM 0 HG21 VAL A 12 2.123 -0.818 3.078 1.00 42.51 H new ATOM 0 HG22 VAL A 12 3.176 -0.385 4.446 1.00 42.51 H new ATOM 0 HG23 VAL A 12 1.589 -1.131 4.746 1.00 42.51 H new ATOM 202 N LEU A 13 -0.526 2.830 5.699 1.00 32.23 N ATOM 203 CA LEU A 13 -1.334 4.047 5.859 1.00 21.13 C ATOM 204 C LEU A 13 -1.076 4.728 7.214 1.00 63.44 C ATOM 205 O LEU A 13 -1.371 5.911 7.386 1.00 2.13 O ATOM 206 CB LEU A 13 -2.827 3.720 5.725 1.00 34.15 C ATOM 207 CG LEU A 13 -3.277 3.237 4.336 1.00 24.12 C ATOM 208 CD1 LEU A 13 -4.754 2.848 4.355 1.00 72.23 C ATOM 209 CD2 LEU A 13 -3.018 4.309 3.280 1.00 52.33 C ATOM 0 H LEU A 13 -1.074 1.972 5.632 1.00 32.23 H new ATOM 0 HA LEU A 13 -1.039 4.738 5.069 1.00 21.13 H new ATOM 0 HB2 LEU A 13 -3.080 2.953 6.457 1.00 34.15 H new ATOM 0 HB3 LEU A 13 -3.401 4.610 5.984 1.00 34.15 H new ATOM 0 HG LEU A 13 -2.692 2.355 4.076 1.00 24.12 H new ATOM 0 HD11 LEU A 13 -5.054 2.509 3.363 1.00 72.23 H new ATOM 0 HD12 LEU A 13 -4.910 2.045 5.075 1.00 72.23 H new ATOM 0 HD13 LEU A 13 -5.354 3.712 4.640 1.00 72.23 H new ATOM 0 HD21 LEU A 13 -3.344 3.946 2.305 1.00 52.33 H new ATOM 0 HD22 LEU A 13 -3.573 5.212 3.535 1.00 52.33 H new ATOM 0 HD23 LEU A 13 -1.952 4.535 3.245 1.00 52.33 H new ATOM 221 N GLN A 14 -0.561 3.973 8.184 1.00 42.34 N ATOM 222 CA GLN A 14 -0.178 4.540 9.483 1.00 14.12 C ATOM 223 C GLN A 14 1.160 5.285 9.389 1.00 41.42 C ATOM 224 O GLN A 14 1.398 6.246 10.122 1.00 34.35 O ATOM 225 CB GLN A 14 -0.101 3.448 10.557 1.00 72.24 C ATOM 226 CG GLN A 14 -1.451 2.827 10.889 1.00 72.45 C ATOM 227 CD GLN A 14 -2.448 3.827 11.450 1.00 21.23 C ATOM 228 OE1 GLN A 14 -2.084 4.810 12.087 1.00 51.45 O ATOM 229 NE2 GLN A 14 -3.720 3.588 11.216 1.00 53.14 N ATOM 0 H GLN A 14 -0.399 2.970 8.098 1.00 42.34 H new ATOM 0 HA GLN A 14 -0.949 5.255 9.770 1.00 14.12 H new ATOM 0 HB2 GLN A 14 0.577 2.664 10.219 1.00 72.24 H new ATOM 0 HB3 GLN A 14 0.328 3.872 11.465 1.00 72.24 H new ATOM 0 HG2 GLN A 14 -1.867 2.375 9.989 1.00 72.45 H new ATOM 0 HG3 GLN A 14 -1.306 2.024 11.611 1.00 72.45 H new ATOM 0 HE21 GLN A 14 -3.994 2.763 10.683 1.00 53.14 H new ATOM 0 HE22 GLN A 14 -4.432 4.228 11.567 1.00 53.14 H new ATOM 238 N MET A 15 2.035 4.827 8.492 1.00 12.43 N ATOM 239 CA MET A 15 3.295 5.532 8.216 1.00 71.43 C ATOM 240 C MET A 15 3.007 6.848 7.485 1.00 71.40 C ATOM 241 O MET A 15 3.563 7.901 7.815 1.00 54.01 O ATOM 242 CB MET A 15 4.228 4.669 7.352 1.00 32.40 C ATOM 243 CG MET A 15 4.335 3.225 7.805 1.00 74.13 C ATOM 244 SD MET A 15 5.530 2.284 6.830 1.00 72.32 S ATOM 245 CE MET A 15 5.336 0.649 7.539 1.00 64.35 C ATOM 0 H MET A 15 1.899 3.977 7.946 1.00 12.43 H new ATOM 0 HA MET A 15 3.785 5.736 9.168 1.00 71.43 H new ATOM 0 HB2 MET A 15 3.873 4.690 6.322 1.00 32.40 H new ATOM 0 HB3 MET A 15 5.223 5.114 7.355 1.00 32.40 H new ATOM 0 HG2 MET A 15 4.625 3.197 8.855 1.00 74.13 H new ATOM 0 HG3 MET A 15 3.356 2.751 7.732 1.00 74.13 H new ATOM 0 HE1 MET A 15 6.010 -0.047 7.039 1.00 64.35 H new ATOM 0 HE2 MET A 15 5.572 0.683 8.602 1.00 64.35 H new ATOM 0 HE3 MET A 15 4.307 0.315 7.407 1.00 64.35 H new ATOM 255 N ASP A 16 2.140 6.759 6.476 1.00 43.03 N ATOM 256 CA ASP A 16 1.705 7.933 5.712 1.00 2.30 C ATOM 257 C ASP A 16 0.373 7.661 4.985 1.00 5.31 C ATOM 258 O ASP A 16 0.241 6.682 4.244 1.00 25.41 O ATOM 259 CB ASP A 16 2.791 8.340 4.699 1.00 13.41 C ATOM 260 CG ASP A 16 2.509 9.668 4.006 1.00 42.53 C ATOM 261 OD1 ASP A 16 1.461 10.288 4.269 1.00 71.32 O ATOM 262 OD2 ASP A 16 3.350 10.109 3.200 1.00 71.34 O ATOM 0 H ASP A 16 1.722 5.882 6.166 1.00 43.03 H new ATOM 0 HA ASP A 16 1.546 8.753 6.412 1.00 2.30 H new ATOM 0 HB2 ASP A 16 3.750 8.404 5.213 1.00 13.41 H new ATOM 0 HB3 ASP A 16 2.885 7.558 3.945 1.00 13.41 H new ATOM 267 N ARG A 17 -0.607 8.546 5.194 1.00 62.34 N ATOM 268 CA ARG A 17 -1.913 8.440 4.527 1.00 33.50 C ATOM 269 C ARG A 17 -1.792 8.634 3.008 1.00 70.41 C ATOM 270 O ARG A 17 -2.608 8.121 2.238 1.00 62.33 O ATOM 271 CB ARG A 17 -2.894 9.480 5.088 1.00 62.23 C ATOM 272 CG ARG A 17 -3.268 9.277 6.553 1.00 42.21 C ATOM 273 CD ARG A 17 -3.881 7.902 6.802 1.00 55.31 C ATOM 274 NE ARG A 17 -4.644 7.863 8.045 1.00 43.31 N ATOM 275 CZ ARG A 17 -4.592 6.901 8.925 1.00 73.43 C ATOM 276 NH1 ARG A 17 -3.732 5.939 8.808 1.00 65.03 N ATOM 277 NH2 ARG A 17 -5.388 6.926 9.940 1.00 14.42 N ATOM 0 H ARG A 17 -0.522 9.346 5.821 1.00 62.34 H new ATOM 0 HA ARG A 17 -2.289 7.436 4.722 1.00 33.50 H new ATOM 0 HB2 ARG A 17 -2.456 10.472 4.973 1.00 62.23 H new ATOM 0 HB3 ARG A 17 -3.804 9.462 4.489 1.00 62.23 H new ATOM 0 HG2 ARG A 17 -2.380 9.396 7.174 1.00 42.21 H new ATOM 0 HG3 ARG A 17 -3.975 10.049 6.857 1.00 42.21 H new ATOM 0 HD2 ARG A 17 -4.532 7.638 5.968 1.00 55.31 H new ATOM 0 HD3 ARG A 17 -3.090 7.153 6.838 1.00 55.31 H new ATOM 0 HE ARG A 17 -5.266 8.648 8.241 1.00 43.31 H new ATOM 0 HH11 ARG A 17 -3.084 5.927 8.020 1.00 65.03 H new ATOM 0 HH12 ARG A 17 -3.703 5.194 9.504 1.00 65.03 H new ATOM 0 HH21 ARG A 17 -6.051 7.693 10.049 1.00 14.42 H new ATOM 0 HH22 ARG A 17 -5.354 6.178 10.633 1.00 14.42 H new ATOM 291 N GLY A 18 -0.763 9.366 2.588 1.00 61.32 N ATOM 292 CA GLY A 18 -0.566 9.669 1.173 1.00 12.42 C ATOM 293 C GLY A 18 -0.283 8.444 0.304 1.00 45.11 C ATOM 294 O GLY A 18 -0.112 8.567 -0.910 1.00 2.12 O ATOM 0 H GLY A 18 -0.054 9.760 3.206 1.00 61.32 H new ATOM 0 HA2 GLY A 18 -1.455 10.172 0.793 1.00 12.42 H new ATOM 0 HA3 GLY A 18 0.263 10.370 1.075 1.00 12.42 H new ATOM 298 N THR A 19 -0.222 7.264 0.918 1.00 41.11 N ATOM 299 CA THR A 19 -0.032 6.009 0.178 1.00 72.34 C ATOM 300 C THR A 19 -1.368 5.440 -0.322 1.00 71.10 C ATOM 301 O THR A 19 -1.390 4.546 -1.172 1.00 55.42 O ATOM 302 CB THR A 19 0.670 4.940 1.048 1.00 24.41 C ATOM 303 OG1 THR A 19 -0.121 4.653 2.210 1.00 62.43 O ATOM 304 CG2 THR A 19 2.052 5.409 1.481 1.00 33.30 C ATOM 0 H THR A 19 -0.301 7.146 1.928 1.00 41.11 H new ATOM 0 HA THR A 19 0.599 6.249 -0.678 1.00 72.34 H new ATOM 0 HB THR A 19 0.780 4.037 0.447 1.00 24.41 H new ATOM 0 HG1 THR A 19 0.020 5.352 2.882 1.00 62.43 H new ATOM 0 HG21 THR A 19 2.523 4.638 2.091 1.00 33.30 H new ATOM 0 HG22 THR A 19 2.665 5.599 0.600 1.00 33.30 H new ATOM 0 HG23 THR A 19 1.959 6.326 2.063 1.00 33.30 H new ATOM 312 N ALA A 20 -2.480 5.974 0.194 1.00 12.13 N ATOM 313 CA ALA A 20 -3.823 5.514 -0.195 1.00 43.44 C ATOM 314 C ALA A 20 -4.034 5.516 -1.727 1.00 15.34 C ATOM 315 O ALA A 20 -4.446 4.497 -2.292 1.00 12.13 O ATOM 316 CB ALA A 20 -4.894 6.352 0.498 1.00 35.23 C ATOM 0 H ALA A 20 -2.479 6.726 0.883 1.00 12.13 H new ATOM 0 HA ALA A 20 -3.912 4.478 0.132 1.00 43.44 H new ATOM 0 HB1 ALA A 20 -5.881 5.999 0.200 1.00 35.23 H new ATOM 0 HB2 ALA A 20 -4.786 6.259 1.579 1.00 35.23 H new ATOM 0 HB3 ALA A 20 -4.780 7.397 0.211 1.00 35.23 H new ATOM 322 N PRO A 21 -3.745 6.642 -2.438 1.00 22.32 N ATOM 323 CA PRO A 21 -3.902 6.706 -3.906 1.00 64.04 C ATOM 324 C PRO A 21 -3.089 5.623 -4.636 1.00 1.42 C ATOM 325 O PRO A 21 -3.497 5.124 -5.684 1.00 45.34 O ATOM 326 CB PRO A 21 -3.390 8.113 -4.271 1.00 24.04 C ATOM 327 CG PRO A 21 -2.586 8.551 -3.092 1.00 10.54 C ATOM 328 CD PRO A 21 -3.250 7.925 -1.898 1.00 40.41 C ATOM 0 HA PRO A 21 -4.935 6.529 -4.207 1.00 64.04 H new ATOM 0 HB2 PRO A 21 -2.783 8.089 -5.176 1.00 24.04 H new ATOM 0 HB3 PRO A 21 -4.217 8.797 -4.460 1.00 24.04 H new ATOM 0 HG2 PRO A 21 -1.550 8.225 -3.181 1.00 10.54 H new ATOM 0 HG3 PRO A 21 -2.572 9.638 -3.008 1.00 10.54 H new ATOM 0 HD2 PRO A 21 -2.549 7.775 -1.077 1.00 40.41 H new ATOM 0 HD3 PRO A 21 -4.062 8.544 -1.515 1.00 40.41 H new ATOM 336 N ILE A 22 -1.944 5.256 -4.062 1.00 3.42 N ATOM 337 CA ILE A 22 -1.087 4.213 -4.634 1.00 40.21 C ATOM 338 C ILE A 22 -1.786 2.845 -4.588 1.00 13.32 C ATOM 339 O ILE A 22 -1.847 2.128 -5.590 1.00 23.44 O ATOM 340 CB ILE A 22 0.268 4.135 -3.885 1.00 23.45 C ATOM 341 CG1 ILE A 22 0.951 5.516 -3.882 1.00 65.04 C ATOM 342 CG2 ILE A 22 1.177 3.075 -4.512 1.00 61.02 C ATOM 343 CD1 ILE A 22 2.244 5.565 -3.094 1.00 50.30 C ATOM 0 H ILE A 22 -1.586 5.665 -3.199 1.00 3.42 H new ATOM 0 HA ILE A 22 -0.897 4.477 -5.674 1.00 40.21 H new ATOM 0 HB ILE A 22 0.079 3.840 -2.853 1.00 23.45 H new ATOM 0 HG12 ILE A 22 1.154 5.811 -4.911 1.00 65.04 H new ATOM 0 HG13 ILE A 22 0.259 6.251 -3.470 1.00 65.04 H new ATOM 0 HG21 ILE A 22 2.122 3.039 -3.969 1.00 61.02 H new ATOM 0 HG22 ILE A 22 0.691 2.101 -4.459 1.00 61.02 H new ATOM 0 HG23 ILE A 22 1.367 3.329 -5.555 1.00 61.02 H new ATOM 0 HD11 ILE A 22 2.661 6.571 -3.142 1.00 50.30 H new ATOM 0 HD12 ILE A 22 2.047 5.303 -2.055 1.00 50.30 H new ATOM 0 HD13 ILE A 22 2.956 4.857 -3.518 1.00 50.30 H new ATOM 355 N PHE A 23 -2.334 2.493 -3.422 1.00 21.40 N ATOM 356 CA PHE A 23 -3.100 1.250 -3.271 1.00 13.42 C ATOM 357 C PHE A 23 -4.323 1.230 -4.208 1.00 44.43 C ATOM 358 O PHE A 23 -4.564 0.244 -4.908 1.00 1.42 O ATOM 359 CB PHE A 23 -3.549 1.068 -1.815 1.00 4.35 C ATOM 360 CG PHE A 23 -2.416 0.798 -0.852 1.00 45.33 C ATOM 361 CD1 PHE A 23 -1.713 -0.397 -0.914 1.00 1.02 C ATOM 362 CD2 PHE A 23 -2.059 1.729 0.115 1.00 60.32 C ATOM 363 CE1 PHE A 23 -0.679 -0.656 -0.036 1.00 24.11 C ATOM 364 CE2 PHE A 23 -1.024 1.472 0.995 1.00 24.12 C ATOM 365 CZ PHE A 23 -0.334 0.279 0.919 1.00 5.52 C ATOM 0 H PHE A 23 -2.263 3.049 -2.570 1.00 21.40 H new ATOM 0 HA PHE A 23 -2.447 0.422 -3.546 1.00 13.42 H new ATOM 0 HB2 PHE A 23 -4.079 1.965 -1.494 1.00 4.35 H new ATOM 0 HB3 PHE A 23 -4.259 0.243 -1.765 1.00 4.35 H new ATOM 0 HD1 PHE A 23 -1.978 -1.134 -1.658 1.00 1.02 H new ATOM 0 HD2 PHE A 23 -2.596 2.664 0.180 1.00 60.32 H new ATOM 0 HE1 PHE A 23 -0.140 -1.590 -0.097 1.00 24.11 H new ATOM 0 HE2 PHE A 23 -0.755 2.205 1.742 1.00 24.12 H new ATOM 0 HZ PHE A 23 0.475 0.077 1.606 1.00 5.52 H new ATOM 375 N ILE A 24 -5.082 2.328 -4.221 1.00 12.14 N ATOM 376 CA ILE A 24 -6.262 2.451 -5.090 1.00 4.35 C ATOM 377 C ILE A 24 -5.884 2.304 -6.577 1.00 61.24 C ATOM 378 O ILE A 24 -6.580 1.634 -7.342 1.00 35.00 O ATOM 379 CB ILE A 24 -6.973 3.813 -4.879 1.00 25.21 C ATOM 380 CG1 ILE A 24 -7.402 3.975 -3.410 1.00 25.25 C ATOM 381 CG2 ILE A 24 -8.179 3.949 -5.811 1.00 40.20 C ATOM 382 CD1 ILE A 24 -8.044 5.313 -3.098 1.00 22.40 C ATOM 0 H ILE A 24 -4.903 3.147 -3.640 1.00 12.14 H new ATOM 0 HA ILE A 24 -6.942 1.644 -4.816 1.00 4.35 H new ATOM 0 HB ILE A 24 -6.267 4.607 -5.122 1.00 25.21 H new ATOM 0 HG12 ILE A 24 -8.103 3.180 -3.157 1.00 25.25 H new ATOM 0 HG13 ILE A 24 -6.529 3.845 -2.771 1.00 25.25 H new ATOM 0 HG21 ILE A 24 -8.661 4.912 -5.644 1.00 40.20 H new ATOM 0 HG22 ILE A 24 -7.847 3.884 -6.847 1.00 40.20 H new ATOM 0 HG23 ILE A 24 -8.889 3.148 -5.606 1.00 40.20 H new ATOM 0 HD11 ILE A 24 -8.318 5.348 -2.044 1.00 22.40 H new ATOM 0 HD12 ILE A 24 -7.339 6.115 -3.317 1.00 22.40 H new ATOM 0 HD13 ILE A 24 -8.938 5.439 -3.709 1.00 22.40 H new ATOM 394 N ASN A 25 -4.768 2.925 -6.967 1.00 1.42 N ATOM 395 CA ASN A 25 -4.279 2.870 -8.354 1.00 15.20 C ATOM 396 C ASN A 25 -4.033 1.421 -8.809 1.00 50.11 C ATOM 397 O ASN A 25 -4.408 1.033 -9.915 1.00 11.04 O ATOM 398 CB ASN A 25 -2.985 3.689 -8.483 1.00 45.32 C ATOM 399 CG ASN A 25 -2.447 3.727 -9.903 1.00 55.14 C ATOM 400 OD1 ASN A 25 -3.197 3.696 -10.873 1.00 52.21 O ATOM 401 ND2 ASN A 25 -1.139 3.799 -10.034 1.00 63.44 N ATOM 0 H ASN A 25 -4.181 3.476 -6.341 1.00 1.42 H new ATOM 0 HA ASN A 25 -5.047 3.296 -8.999 1.00 15.20 H new ATOM 0 HB2 ASN A 25 -3.171 4.708 -8.143 1.00 45.32 H new ATOM 0 HB3 ASN A 25 -2.227 3.266 -7.824 1.00 45.32 H new ATOM 0 HD21 ASN A 25 -0.721 3.831 -10.964 1.00 63.44 H new ATOM 0 HD22 ASN A 25 -0.544 3.823 -9.206 1.00 63.44 H new ATOM 408 N ASN A 26 -3.409 0.623 -7.945 1.00 51.44 N ATOM 409 CA ASN A 26 -3.122 -0.782 -8.263 1.00 24.03 C ATOM 410 C ASN A 26 -4.381 -1.672 -8.172 1.00 11.32 C ATOM 411 O ASN A 26 -4.356 -2.832 -8.579 1.00 50.52 O ATOM 412 CB ASN A 26 -2.007 -1.322 -7.357 1.00 15.51 C ATOM 413 CG ASN A 26 -0.646 -0.733 -7.710 1.00 14.41 C ATOM 414 OD1 ASN A 26 0.068 -1.263 -8.553 1.00 22.20 O ATOM 415 ND2 ASN A 26 -0.277 0.360 -7.073 1.00 42.34 N ATOM 0 H ASN A 26 -3.092 0.920 -7.022 1.00 51.44 H new ATOM 0 HA ASN A 26 -2.782 -0.816 -9.298 1.00 24.03 H new ATOM 0 HB2 ASN A 26 -2.242 -1.093 -6.318 1.00 15.51 H new ATOM 0 HB3 ASN A 26 -1.965 -2.408 -7.442 1.00 15.51 H new ATOM 0 HD21 ASN A 26 0.626 0.789 -7.277 1.00 42.34 H new ATOM 0 HD22 ASN A 26 -0.894 0.777 -6.376 1.00 42.34 H new ATOM 422 N GLY A 27 -5.481 -1.131 -7.637 1.00 74.34 N ATOM 423 CA GLY A 27 -6.758 -1.848 -7.672 1.00 4.55 C ATOM 424 C GLY A 27 -7.391 -2.130 -6.307 1.00 42.34 C ATOM 425 O GLY A 27 -8.453 -2.754 -6.241 1.00 11.01 O ATOM 0 H GLY A 27 -5.513 -0.218 -7.184 1.00 74.34 H new ATOM 0 HA2 GLY A 27 -7.464 -1.270 -8.268 1.00 4.55 H new ATOM 0 HA3 GLY A 27 -6.608 -2.797 -8.187 1.00 4.55 H new ATOM 429 N MET A 28 -6.766 -1.686 -5.215 1.00 4.24 N ATOM 430 CA MET A 28 -7.331 -1.912 -3.876 1.00 3.21 C ATOM 431 C MET A 28 -8.641 -1.138 -3.673 1.00 23.40 C ATOM 432 O MET A 28 -8.764 0.021 -4.075 1.00 10.11 O ATOM 433 CB MET A 28 -6.332 -1.523 -2.786 1.00 74.24 C ATOM 434 CG MET A 28 -5.072 -2.373 -2.787 1.00 1.33 C ATOM 435 SD MET A 28 -5.417 -4.115 -2.479 1.00 25.13 S ATOM 436 CE MET A 28 -3.766 -4.806 -2.556 1.00 34.45 C ATOM 0 H MET A 28 -5.883 -1.176 -5.225 1.00 4.24 H new ATOM 0 HA MET A 28 -7.546 -2.978 -3.800 1.00 3.21 H new ATOM 0 HB2 MET A 28 -6.055 -0.477 -2.915 1.00 74.24 H new ATOM 0 HB3 MET A 28 -6.817 -1.607 -1.813 1.00 74.24 H new ATOM 0 HG2 MET A 28 -4.568 -2.270 -3.748 1.00 1.33 H new ATOM 0 HG3 MET A 28 -4.386 -2.001 -2.026 1.00 1.33 H new ATOM 0 HE1 MET A 28 -3.778 -5.822 -2.162 1.00 34.45 H new ATOM 0 HE2 MET A 28 -3.426 -4.822 -3.592 1.00 34.45 H new ATOM 0 HE3 MET A 28 -3.088 -4.194 -1.961 1.00 34.45 H new ATOM 572 N GLU A 39 -5.452 -6.722 5.840 1.00 53.30 N ATOM 573 CA GLU A 39 -4.667 -7.803 5.243 1.00 2.25 C ATOM 574 C GLU A 39 -3.297 -7.316 4.728 1.00 12.44 C ATOM 575 O GLU A 39 -3.118 -6.136 4.408 1.00 24.11 O ATOM 576 CB GLU A 39 -5.463 -8.436 4.097 1.00 22.23 C ATOM 577 CG GLU A 39 -6.912 -8.751 4.460 1.00 54.45 C ATOM 578 CD GLU A 39 -7.053 -9.703 5.645 1.00 14.42 C ATOM 579 OE1 GLU A 39 -6.513 -10.830 5.588 1.00 63.42 O ATOM 580 OE2 GLU A 39 -7.732 -9.341 6.630 1.00 75.02 O ATOM 0 HA GLU A 39 -4.473 -8.543 6.020 1.00 2.25 H new ATOM 0 HB2 GLU A 39 -5.450 -7.761 3.241 1.00 22.23 H new ATOM 0 HB3 GLU A 39 -4.967 -9.355 3.786 1.00 22.23 H new ATOM 0 HG2 GLU A 39 -7.431 -7.820 4.689 1.00 54.45 H new ATOM 0 HG3 GLU A 39 -7.408 -9.188 3.593 1.00 54.45 H new ATOM 587 N SER A 40 -2.330 -8.234 4.658 1.00 32.43 N ATOM 588 CA SER A 40 -0.997 -7.930 4.111 1.00 24.35 C ATOM 589 C SER A 40 -1.086 -7.567 2.624 1.00 71.11 C ATOM 590 O SER A 40 -1.964 -8.056 1.915 1.00 41.25 O ATOM 591 CB SER A 40 -0.053 -9.131 4.285 1.00 24.21 C ATOM 592 OG SER A 40 0.146 -9.447 5.656 1.00 62.12 O ATOM 0 H SER A 40 -2.442 -9.198 4.973 1.00 32.43 H new ATOM 0 HA SER A 40 -0.600 -7.077 4.662 1.00 24.35 H new ATOM 0 HB2 SER A 40 -0.466 -9.997 3.768 1.00 24.21 H new ATOM 0 HB3 SER A 40 0.907 -8.910 3.819 1.00 24.21 H new ATOM 0 HG SER A 40 1.017 -9.105 5.947 1.00 62.12 H new ATOM 598 N ILE A 41 -0.164 -6.732 2.147 1.00 72.14 N ATOM 599 CA ILE A 41 -0.168 -6.284 0.749 1.00 40.13 C ATOM 600 C ILE A 41 -0.249 -7.459 -0.246 1.00 33.44 C ATOM 601 O ILE A 41 -1.162 -7.513 -1.072 1.00 12.14 O ATOM 602 CB ILE A 41 1.094 -5.440 0.463 1.00 24.21 C ATOM 603 CG1 ILE A 41 1.110 -4.199 1.375 1.00 64.11 C ATOM 604 CG2 ILE A 41 1.166 -5.036 -1.012 1.00 74.42 C ATOM 605 CD1 ILE A 41 2.495 -3.690 1.682 1.00 34.23 C ATOM 0 H ILE A 41 0.598 -6.350 2.707 1.00 72.14 H new ATOM 0 HA ILE A 41 -1.062 -5.677 0.607 1.00 40.13 H new ATOM 0 HB ILE A 41 1.974 -6.046 0.679 1.00 24.21 H new ATOM 0 HG12 ILE A 41 0.537 -3.403 0.900 1.00 64.11 H new ATOM 0 HG13 ILE A 41 0.606 -4.440 2.311 1.00 64.11 H new ATOM 0 HG21 ILE A 41 2.064 -4.443 -1.183 1.00 74.42 H new ATOM 0 HG22 ILE A 41 1.198 -5.931 -1.633 1.00 74.42 H new ATOM 0 HG23 ILE A 41 0.287 -4.446 -1.271 1.00 74.42 H new ATOM 0 HD11 ILE A 41 2.426 -2.815 2.329 1.00 34.23 H new ATOM 0 HD12 ILE A 41 3.066 -4.470 2.186 1.00 34.23 H new ATOM 0 HD13 ILE A 41 2.996 -3.416 0.754 1.00 34.23 H new ATOM 617 N GLU A 42 0.693 -8.400 -0.155 1.00 33.54 N ATOM 618 CA GLU A 42 0.722 -9.553 -1.069 1.00 20.42 C ATOM 619 C GLU A 42 -0.535 -10.422 -0.927 1.00 72.43 C ATOM 620 O GLU A 42 -1.084 -10.902 -1.917 1.00 74.34 O ATOM 621 CB GLU A 42 1.969 -10.413 -0.824 1.00 73.42 C ATOM 622 CG GLU A 42 2.030 -11.065 0.558 1.00 53.35 C ATOM 623 CD GLU A 42 3.260 -11.943 0.739 1.00 3.30 C ATOM 624 OE1 GLU A 42 3.581 -12.721 -0.184 1.00 44.44 O ATOM 625 OE2 GLU A 42 3.910 -11.868 1.802 1.00 13.03 O ATOM 0 H GLU A 42 1.443 -8.391 0.536 1.00 33.54 H new ATOM 0 HA GLU A 42 0.752 -9.154 -2.083 1.00 20.42 H new ATOM 0 HB2 GLU A 42 2.010 -11.195 -1.582 1.00 73.42 H new ATOM 0 HB3 GLU A 42 2.855 -9.792 -0.958 1.00 73.42 H new ATOM 0 HG2 GLU A 42 2.028 -10.288 1.322 1.00 53.35 H new ATOM 0 HG3 GLU A 42 1.134 -11.666 0.712 1.00 53.35 H new ATOM 632 N ASP A 43 -0.989 -10.606 0.310 1.00 32.33 N ATOM 633 CA ASP A 43 -2.160 -11.434 0.592 1.00 34.11 C ATOM 634 C ASP A 43 -3.427 -10.823 -0.029 1.00 2.53 C ATOM 635 O ASP A 43 -4.127 -11.475 -0.807 1.00 51.12 O ATOM 636 CB ASP A 43 -2.318 -11.598 2.108 1.00 55.00 C ATOM 637 CG ASP A 43 -3.408 -12.586 2.476 1.00 72.32 C ATOM 638 OD1 ASP A 43 -3.247 -13.788 2.182 1.00 64.31 O ATOM 639 OD2 ASP A 43 -4.417 -12.173 3.079 1.00 62.13 O ATOM 0 H ASP A 43 -0.561 -10.191 1.138 1.00 32.33 H new ATOM 0 HA ASP A 43 -2.016 -12.416 0.142 1.00 34.11 H new ATOM 0 HB2 ASP A 43 -1.372 -11.931 2.535 1.00 55.00 H new ATOM 0 HB3 ASP A 43 -2.545 -10.629 2.553 1.00 55.00 H new ATOM 644 N ALA A 44 -3.703 -9.561 0.303 1.00 31.43 N ATOM 645 CA ALA A 44 -4.835 -8.829 -0.277 1.00 20.34 C ATOM 646 C ALA A 44 -4.748 -8.794 -1.812 1.00 52.33 C ATOM 647 O ALA A 44 -5.757 -8.943 -2.509 1.00 30.34 O ATOM 648 CB ALA A 44 -4.887 -7.411 0.288 1.00 42.32 C ATOM 0 H ALA A 44 -3.156 -9.021 0.974 1.00 31.43 H new ATOM 0 HA ALA A 44 -5.753 -9.352 -0.008 1.00 20.34 H new ATOM 0 HB1 ALA A 44 -5.730 -6.876 -0.149 1.00 42.32 H new ATOM 0 HB2 ALA A 44 -5.006 -7.455 1.371 1.00 42.32 H new ATOM 0 HB3 ALA A 44 -3.961 -6.889 0.046 1.00 42.32 H new ATOM 654 N CYS A 45 -3.534 -8.602 -2.333 1.00 55.14 N ATOM 655 CA CYS A 45 -3.297 -8.657 -3.780 1.00 72.51 C ATOM 656 C CYS A 45 -3.702 -10.020 -4.355 1.00 14.13 C ATOM 657 O CYS A 45 -4.485 -10.090 -5.294 1.00 23.23 O ATOM 658 CB CYS A 45 -1.825 -8.368 -4.111 1.00 70.35 C ATOM 659 SG CYS A 45 -1.320 -6.651 -3.840 1.00 15.23 S ATOM 0 H CYS A 45 -2.701 -8.407 -1.777 1.00 55.14 H new ATOM 0 HA CYS A 45 -3.916 -7.887 -4.240 1.00 72.51 H new ATOM 0 HB2 CYS A 45 -1.195 -9.019 -3.505 1.00 70.35 H new ATOM 0 HB3 CYS A 45 -1.642 -8.627 -5.154 1.00 70.35 H new ATOM 0 HG CYS A 45 -1.071 -6.466 -2.578 1.00 15.23 H new ATOM 665 N ALA A 46 -3.186 -11.101 -3.771 1.00 2.42 N ATOM 666 CA ALA A 46 -3.492 -12.461 -4.242 1.00 1.13 C ATOM 667 C ALA A 46 -5.007 -12.738 -4.238 1.00 75.53 C ATOM 668 O ALA A 46 -5.543 -13.319 -5.186 1.00 25.45 O ATOM 669 CB ALA A 46 -2.758 -13.493 -3.391 1.00 21.30 C ATOM 0 H ALA A 46 -2.554 -11.067 -2.971 1.00 2.42 H new ATOM 0 HA ALA A 46 -3.147 -12.541 -5.273 1.00 1.13 H new ATOM 0 HB1 ALA A 46 -2.993 -14.495 -3.750 1.00 21.30 H new ATOM 0 HB2 ALA A 46 -1.683 -13.325 -3.462 1.00 21.30 H new ATOM 0 HB3 ALA A 46 -3.072 -13.397 -2.352 1.00 21.30 H new ATOM 675 N VAL A 47 -5.691 -12.315 -3.174 1.00 62.44 N ATOM 676 CA VAL A 47 -7.151 -12.459 -3.080 1.00 2.33 C ATOM 677 C VAL A 47 -7.863 -11.702 -4.216 1.00 32.12 C ATOM 678 O VAL A 47 -8.788 -12.218 -4.844 1.00 51.13 O ATOM 679 CB VAL A 47 -7.688 -11.938 -1.721 1.00 73.21 C ATOM 680 CG1 VAL A 47 -9.207 -12.098 -1.635 1.00 72.41 C ATOM 681 CG2 VAL A 47 -7.000 -12.649 -0.557 1.00 62.21 C ATOM 0 H VAL A 47 -5.261 -11.870 -2.364 1.00 62.44 H new ATOM 0 HA VAL A 47 -7.363 -13.525 -3.165 1.00 2.33 H new ATOM 0 HB VAL A 47 -7.457 -10.875 -1.653 1.00 73.21 H new ATOM 0 HG11 VAL A 47 -9.558 -11.725 -0.673 1.00 72.41 H new ATOM 0 HG12 VAL A 47 -9.679 -11.531 -2.438 1.00 72.41 H new ATOM 0 HG13 VAL A 47 -9.468 -13.152 -1.733 1.00 72.41 H new ATOM 0 HG21 VAL A 47 -7.392 -12.267 0.386 1.00 62.21 H new ATOM 0 HG22 VAL A 47 -7.190 -13.720 -0.622 1.00 62.21 H new ATOM 0 HG23 VAL A 47 -5.926 -12.467 -0.603 1.00 62.21 H new ATOM 691 N HIS A 48 -7.416 -10.475 -4.477 1.00 3.43 N ATOM 692 CA HIS A 48 -8.020 -9.626 -5.514 1.00 34.23 C ATOM 693 C HIS A 48 -7.350 -9.849 -6.891 1.00 41.24 C ATOM 694 O HIS A 48 -7.753 -9.255 -7.889 1.00 43.03 O ATOM 695 CB HIS A 48 -7.901 -8.150 -5.095 1.00 23.54 C ATOM 696 CG HIS A 48 -8.779 -7.206 -5.869 1.00 52.03 C ATOM 697 ND1 HIS A 48 -8.542 -6.851 -7.182 1.00 41.41 N ATOM 698 CD2 HIS A 48 -9.884 -6.517 -5.494 1.00 4.43 C ATOM 699 CE1 HIS A 48 -9.458 -5.990 -7.575 1.00 62.14 C ATOM 700 NE2 HIS A 48 -10.283 -5.774 -6.574 1.00 31.54 N ATOM 0 H HIS A 48 -6.635 -10.041 -3.985 1.00 3.43 H new ATOM 0 HA HIS A 48 -9.071 -9.897 -5.614 1.00 34.23 H new ATOM 0 HB2 HIS A 48 -8.145 -8.066 -4.036 1.00 23.54 H new ATOM 0 HB3 HIS A 48 -6.863 -7.836 -5.209 1.00 23.54 H new ATOM 0 HD1 HIS A 48 -7.777 -7.201 -7.758 1.00 41.41 H new ATOM 0 HD2 HIS A 48 -10.361 -6.548 -4.525 1.00 4.43 H new ATOM 0 HE1 HIS A 48 -9.521 -5.538 -8.554 1.00 62.14 H new ATOM 709 N GLY A 49 -6.325 -10.701 -6.928 1.00 34.42 N ATOM 710 CA GLY A 49 -5.595 -10.972 -8.169 1.00 13.00 C ATOM 711 C GLY A 49 -4.788 -9.773 -8.678 1.00 54.31 C ATOM 712 O GLY A 49 -4.586 -9.620 -9.886 1.00 41.12 O ATOM 0 H GLY A 49 -5.982 -11.214 -6.116 1.00 34.42 H new ATOM 0 HA2 GLY A 49 -4.920 -11.812 -8.008 1.00 13.00 H new ATOM 0 HA3 GLY A 49 -6.304 -11.276 -8.939 1.00 13.00 H new ATOM 716 N ILE A 50 -4.330 -8.928 -7.756 1.00 33.23 N ATOM 717 CA ILE A 50 -3.531 -7.740 -8.089 1.00 51.51 C ATOM 718 C ILE A 50 -2.027 -8.066 -8.126 1.00 50.40 C ATOM 719 O ILE A 50 -1.558 -8.964 -7.426 1.00 4.11 O ATOM 720 CB ILE A 50 -3.758 -6.609 -7.051 1.00 0.20 C ATOM 721 CG1 ILE A 50 -5.256 -6.306 -6.904 1.00 15.12 C ATOM 722 CG2 ILE A 50 -2.988 -5.346 -7.440 1.00 31.53 C ATOM 723 CD1 ILE A 50 -5.568 -5.209 -5.905 1.00 61.03 C ATOM 0 H ILE A 50 -4.500 -9.043 -6.757 1.00 33.23 H new ATOM 0 HA ILE A 50 -3.856 -7.410 -9.076 1.00 51.51 H new ATOM 0 HB ILE A 50 -3.379 -6.951 -6.088 1.00 0.20 H new ATOM 0 HG12 ILE A 50 -5.656 -6.021 -7.877 1.00 15.12 H new ATOM 0 HG13 ILE A 50 -5.772 -7.217 -6.601 1.00 15.12 H new ATOM 0 HG21 ILE A 50 -3.164 -4.569 -6.696 1.00 31.53 H new ATOM 0 HG22 ILE A 50 -1.922 -5.569 -7.486 1.00 31.53 H new ATOM 0 HG23 ILE A 50 -3.328 -4.998 -8.415 1.00 31.53 H new ATOM 0 HD11 ILE A 50 -6.646 -5.055 -5.859 1.00 61.03 H new ATOM 0 HD12 ILE A 50 -5.200 -5.498 -4.920 1.00 61.03 H new ATOM 0 HD13 ILE A 50 -5.082 -4.284 -6.216 1.00 61.03 H new ATOM 735 N ASP A 51 -1.276 -7.321 -8.931 1.00 23.40 N ATOM 736 CA ASP A 51 0.178 -7.483 -9.007 1.00 71.32 C ATOM 737 C ASP A 51 0.871 -6.767 -7.827 1.00 35.11 C ATOM 738 O ASP A 51 1.004 -5.536 -7.822 1.00 53.23 O ATOM 739 CB ASP A 51 0.694 -6.934 -10.343 1.00 43.45 C ATOM 740 CG ASP A 51 2.123 -7.353 -10.627 1.00 35.44 C ATOM 741 OD1 ASP A 51 3.055 -6.697 -10.118 1.00 41.22 O ATOM 742 OD2 ASP A 51 2.319 -8.344 -11.363 1.00 24.45 O ATOM 0 H ASP A 51 -1.649 -6.596 -9.543 1.00 23.40 H new ATOM 0 HA ASP A 51 0.414 -8.545 -8.944 1.00 71.32 H new ATOM 0 HB2 ASP A 51 0.049 -7.283 -11.149 1.00 43.45 H new ATOM 0 HB3 ASP A 51 0.632 -5.846 -10.334 1.00 43.45 H new ATOM 747 N ALA A 52 1.298 -7.540 -6.826 1.00 75.35 N ATOM 748 CA ALA A 52 1.952 -6.982 -5.632 1.00 34.54 C ATOM 749 C ALA A 52 3.372 -6.482 -5.929 1.00 35.03 C ATOM 750 O ALA A 52 3.891 -5.624 -5.213 1.00 64.42 O ATOM 751 CB ALA A 52 1.980 -8.014 -4.506 1.00 12.30 C ATOM 0 H ALA A 52 1.204 -8.556 -6.815 1.00 75.35 H new ATOM 0 HA ALA A 52 1.363 -6.121 -5.316 1.00 34.54 H new ATOM 0 HB1 ALA A 52 2.467 -7.584 -3.631 1.00 12.30 H new ATOM 0 HB2 ALA A 52 0.960 -8.300 -4.250 1.00 12.30 H new ATOM 0 HB3 ALA A 52 2.533 -8.895 -4.833 1.00 12.30 H new ATOM 757 N ASP A 53 3.996 -7.014 -6.978 1.00 70.11 N ATOM 758 CA ASP A 53 5.340 -6.581 -7.379 1.00 1.22 C ATOM 759 C ASP A 53 5.359 -5.072 -7.668 1.00 22.24 C ATOM 760 O ASP A 53 6.188 -4.333 -7.130 1.00 5.23 O ATOM 761 CB ASP A 53 5.805 -7.370 -8.610 1.00 65.10 C ATOM 762 CG ASP A 53 7.163 -6.912 -9.118 1.00 44.42 C ATOM 763 OD1 ASP A 53 8.189 -7.438 -8.644 1.00 12.42 O ATOM 764 OD2 ASP A 53 7.213 -6.013 -9.988 1.00 73.43 O ATOM 0 H ASP A 53 3.596 -7.745 -7.567 1.00 70.11 H new ATOM 0 HA ASP A 53 6.028 -6.779 -6.557 1.00 1.22 H new ATOM 0 HB2 ASP A 53 5.853 -8.430 -8.361 1.00 65.10 H new ATOM 0 HB3 ASP A 53 5.068 -7.262 -9.406 1.00 65.10 H new ATOM 769 N LYS A 54 4.425 -4.622 -8.501 1.00 62.14 N ATOM 770 CA LYS A 54 4.313 -3.202 -8.844 1.00 4.22 C ATOM 771 C LYS A 54 3.969 -2.360 -7.611 1.00 11.51 C ATOM 772 O LYS A 54 4.639 -1.372 -7.312 1.00 44.42 O ATOM 773 CB LYS A 54 3.241 -2.997 -9.923 1.00 1.43 C ATOM 774 CG LYS A 54 3.564 -3.672 -11.250 1.00 4.02 C ATOM 775 CD LYS A 54 2.459 -3.462 -12.282 1.00 15.45 C ATOM 776 CE LYS A 54 2.277 -1.988 -12.636 1.00 31.54 C ATOM 777 NZ LYS A 54 1.258 -1.796 -13.698 1.00 13.20 N ATOM 0 H LYS A 54 3.732 -5.219 -8.953 1.00 62.14 H new ATOM 0 HA LYS A 54 5.280 -2.875 -9.227 1.00 4.22 H new ATOM 0 HB2 LYS A 54 2.290 -3.380 -9.554 1.00 1.43 H new ATOM 0 HB3 LYS A 54 3.110 -1.928 -10.093 1.00 1.43 H new ATOM 0 HG2 LYS A 54 4.503 -3.277 -11.639 1.00 4.02 H new ATOM 0 HG3 LYS A 54 3.710 -4.740 -11.088 1.00 4.02 H new ATOM 0 HD2 LYS A 54 2.695 -4.025 -13.185 1.00 15.45 H new ATOM 0 HD3 LYS A 54 1.521 -3.860 -11.894 1.00 15.45 H new ATOM 0 HE2 LYS A 54 1.981 -1.434 -11.745 1.00 31.54 H new ATOM 0 HE3 LYS A 54 3.229 -1.574 -12.967 1.00 31.54 H new ATOM 0 HZ1 LYS A 54 1.164 -0.782 -13.910 1.00 13.20 H new ATOM 0 HZ2 LYS A 54 1.552 -2.303 -14.557 1.00 13.20 H new ATOM 0 HZ3 LYS A 54 0.343 -2.168 -13.372 1.00 13.20 H new ATOM 791 N LEU A 55 2.933 -2.783 -6.887 1.00 24.45 N ATOM 792 CA LEU A 55 2.421 -2.033 -5.735 1.00 70.21 C ATOM 793 C LEU A 55 3.510 -1.771 -4.682 1.00 61.24 C ATOM 794 O LEU A 55 3.752 -0.625 -4.298 1.00 44.40 O ATOM 795 CB LEU A 55 1.239 -2.791 -5.107 1.00 64.10 C ATOM 796 CG LEU A 55 0.661 -2.182 -3.816 1.00 43.35 C ATOM 797 CD1 LEU A 55 0.270 -0.721 -4.025 1.00 65.24 C ATOM 798 CD2 LEU A 55 -0.542 -2.996 -3.338 1.00 12.41 C ATOM 0 H LEU A 55 2.427 -3.648 -7.078 1.00 24.45 H new ATOM 0 HA LEU A 55 2.084 -1.061 -6.094 1.00 70.21 H new ATOM 0 HB2 LEU A 55 0.440 -2.855 -5.845 1.00 64.10 H new ATOM 0 HB3 LEU A 55 1.558 -3.811 -4.894 1.00 64.10 H new ATOM 0 HG LEU A 55 1.434 -2.216 -3.048 1.00 43.35 H new ATOM 0 HD11 LEU A 55 -0.135 -0.316 -3.097 1.00 65.24 H new ATOM 0 HD12 LEU A 55 1.149 -0.147 -4.318 1.00 65.24 H new ATOM 0 HD13 LEU A 55 -0.484 -0.655 -4.809 1.00 65.24 H new ATOM 0 HD21 LEU A 55 -0.940 -2.554 -2.425 1.00 12.41 H new ATOM 0 HD22 LEU A 55 -1.313 -2.993 -4.109 1.00 12.41 H new ATOM 0 HD23 LEU A 55 -0.231 -4.022 -3.139 1.00 12.41 H new ATOM 810 N VAL A 56 4.172 -2.832 -4.224 1.00 32.52 N ATOM 811 CA VAL A 56 5.206 -2.708 -3.189 1.00 71.31 C ATOM 812 C VAL A 56 6.349 -1.777 -3.631 1.00 14.35 C ATOM 813 O VAL A 56 6.800 -0.926 -2.862 1.00 43.13 O ATOM 814 CB VAL A 56 5.774 -4.096 -2.802 1.00 50.44 C ATOM 815 CG1 VAL A 56 6.887 -3.967 -1.762 1.00 13.34 C ATOM 816 CG2 VAL A 56 4.655 -5.002 -2.291 1.00 32.10 C ATOM 0 H VAL A 56 4.014 -3.786 -4.550 1.00 32.52 H new ATOM 0 HA VAL A 56 4.729 -2.265 -2.315 1.00 71.31 H new ATOM 0 HB VAL A 56 6.207 -4.548 -3.694 1.00 50.44 H new ATOM 0 HG11 VAL A 56 7.266 -4.957 -1.510 1.00 13.34 H new ATOM 0 HG12 VAL A 56 7.697 -3.361 -2.169 1.00 13.34 H new ATOM 0 HG13 VAL A 56 6.493 -3.490 -0.865 1.00 13.34 H new ATOM 0 HG21 VAL A 56 5.068 -5.974 -2.023 1.00 32.10 H new ATOM 0 HG22 VAL A 56 4.192 -4.550 -1.414 1.00 32.10 H new ATOM 0 HG23 VAL A 56 3.905 -5.129 -3.072 1.00 32.10 H new ATOM 826 N LYS A 57 6.799 -1.928 -4.876 1.00 40.14 N ATOM 827 CA LYS A 57 7.864 -1.074 -5.421 1.00 42.23 C ATOM 828 C LYS A 57 7.445 0.405 -5.439 1.00 55.31 C ATOM 829 O LYS A 57 8.227 1.285 -5.072 1.00 15.25 O ATOM 830 CB LYS A 57 8.246 -1.547 -6.830 1.00 43.04 C ATOM 831 CG LYS A 57 8.965 -2.893 -6.835 1.00 2.32 C ATOM 832 CD LYS A 57 9.165 -3.442 -8.246 1.00 71.24 C ATOM 833 CE LYS A 57 9.948 -4.747 -8.223 1.00 4.10 C ATOM 834 NZ LYS A 57 9.963 -5.421 -9.546 1.00 24.14 N ATOM 0 H LYS A 57 6.447 -2.630 -5.527 1.00 40.14 H new ATOM 0 HA LYS A 57 8.734 -1.159 -4.770 1.00 42.23 H new ATOM 0 HB2 LYS A 57 7.345 -1.621 -7.439 1.00 43.04 H new ATOM 0 HB3 LYS A 57 8.886 -0.798 -7.297 1.00 43.04 H new ATOM 0 HG2 LYS A 57 9.935 -2.785 -6.349 1.00 2.32 H new ATOM 0 HG3 LYS A 57 8.392 -3.610 -6.247 1.00 2.32 H new ATOM 0 HD2 LYS A 57 8.195 -3.605 -8.716 1.00 71.24 H new ATOM 0 HD3 LYS A 57 9.695 -2.708 -8.853 1.00 71.24 H new ATOM 0 HE2 LYS A 57 10.972 -4.548 -7.908 1.00 4.10 H new ATOM 0 HE3 LYS A 57 9.511 -5.417 -7.482 1.00 4.10 H new ATOM 0 HZ1 LYS A 57 9.607 -6.393 -9.444 1.00 24.14 H new ATOM 0 HZ2 LYS A 57 9.356 -4.898 -10.209 1.00 24.14 H new ATOM 0 HZ3 LYS A 57 10.936 -5.445 -9.912 1.00 24.14 H new ATOM 848 N GLU A 58 6.205 0.667 -5.846 1.00 73.41 N ATOM 849 CA GLU A 58 5.666 2.033 -5.866 1.00 51.53 C ATOM 850 C GLU A 58 5.586 2.624 -4.448 1.00 32.24 C ATOM 851 O GLU A 58 5.881 3.802 -4.237 1.00 52.44 O ATOM 852 CB GLU A 58 4.287 2.042 -6.541 1.00 44.10 C ATOM 853 CG GLU A 58 4.336 1.603 -8.003 1.00 12.22 C ATOM 854 CD GLU A 58 2.992 1.663 -8.710 1.00 54.24 C ATOM 855 OE1 GLU A 58 1.962 1.905 -8.047 1.00 35.54 O ATOM 856 OE2 GLU A 58 2.966 1.481 -9.949 1.00 0.01 O ATOM 0 H GLU A 58 5.551 -0.046 -6.167 1.00 73.41 H new ATOM 0 HA GLU A 58 6.345 2.661 -6.443 1.00 51.53 H new ATOM 0 HB2 GLU A 58 3.615 1.382 -5.992 1.00 44.10 H new ATOM 0 HB3 GLU A 58 3.866 3.046 -6.483 1.00 44.10 H new ATOM 0 HG2 GLU A 58 5.045 2.234 -8.538 1.00 12.22 H new ATOM 0 HG3 GLU A 58 4.717 0.583 -8.053 1.00 12.22 H new ATOM 863 N LEU A 59 5.187 1.796 -3.479 1.00 61.12 N ATOM 864 CA LEU A 59 5.187 2.197 -2.066 1.00 0.23 C ATOM 865 C LEU A 59 6.597 2.597 -1.598 1.00 71.53 C ATOM 866 O LEU A 59 6.782 3.647 -0.979 1.00 34.44 O ATOM 867 CB LEU A 59 4.648 1.053 -1.197 1.00 63.24 C ATOM 868 CG LEU A 59 3.192 0.644 -1.477 1.00 70.23 C ATOM 869 CD1 LEU A 59 2.831 -0.617 -0.701 1.00 61.03 C ATOM 870 CD2 LEU A 59 2.234 1.785 -1.137 1.00 43.32 C ATOM 0 H LEU A 59 4.860 0.844 -3.645 1.00 61.12 H new ATOM 0 HA LEU A 59 4.539 3.067 -1.961 1.00 0.23 H new ATOM 0 HB2 LEU A 59 5.286 0.181 -1.337 1.00 63.24 H new ATOM 0 HB3 LEU A 59 4.731 1.344 -0.150 1.00 63.24 H new ATOM 0 HG LEU A 59 3.095 0.428 -2.541 1.00 70.23 H new ATOM 0 HD11 LEU A 59 1.797 -0.891 -0.912 1.00 61.03 H new ATOM 0 HD12 LEU A 59 3.491 -1.431 -1.002 1.00 61.03 H new ATOM 0 HD13 LEU A 59 2.947 -0.433 0.367 1.00 61.03 H new ATOM 0 HD21 LEU A 59 1.210 1.474 -1.343 1.00 43.32 H new ATOM 0 HD22 LEU A 59 2.331 2.039 -0.081 1.00 43.32 H new ATOM 0 HD23 LEU A 59 2.477 2.657 -1.744 1.00 43.32 H new ATOM 882 N ASN A 60 7.589 1.754 -1.905 1.00 45.43 N ATOM 883 CA ASN A 60 8.993 2.056 -1.588 1.00 73.43 C ATOM 884 C ASN A 60 9.416 3.412 -2.169 1.00 70.10 C ATOM 885 O ASN A 60 9.813 4.312 -1.429 1.00 23.13 O ATOM 886 CB ASN A 60 9.923 0.952 -2.116 1.00 2.43 C ATOM 887 CG ASN A 60 9.982 -0.254 -1.199 1.00 74.41 C ATOM 888 OD1 ASN A 60 10.805 -0.314 -0.294 1.00 43.43 O ATOM 889 ND2 ASN A 60 9.126 -1.225 -1.424 1.00 52.22 N ATOM 0 H ASN A 60 7.448 0.858 -2.372 1.00 45.43 H new ATOM 0 HA ASN A 60 9.079 2.102 -0.502 1.00 73.43 H new ATOM 0 HB2 ASN A 60 9.582 0.637 -3.102 1.00 2.43 H new ATOM 0 HB3 ASN A 60 10.927 1.358 -2.241 1.00 2.43 H new ATOM 0 HD21 ASN A 60 9.135 -2.059 -0.837 1.00 52.22 H new ATOM 0 HD22 ASN A 60 8.453 -1.145 -2.186 1.00 52.22 H new ATOM 896 N GLU A 61 9.303 3.554 -3.492 1.00 4.11 N ATOM 897 CA GLU A 61 9.678 4.799 -4.181 1.00 13.30 C ATOM 898 C GLU A 61 9.068 6.032 -3.495 1.00 35.34 C ATOM 899 O GLU A 61 9.726 7.058 -3.338 1.00 21.41 O ATOM 900 CB GLU A 61 9.228 4.759 -5.649 1.00 32.12 C ATOM 901 CG GLU A 61 9.888 3.657 -6.471 1.00 15.43 C ATOM 902 CD GLU A 61 9.418 3.640 -7.916 1.00 21.14 C ATOM 903 OE1 GLU A 61 9.880 4.492 -8.701 1.00 11.10 O ATOM 904 OE2 GLU A 61 8.579 2.783 -8.270 1.00 71.24 O ATOM 0 H GLU A 61 8.954 2.823 -4.112 1.00 4.11 H new ATOM 0 HA GLU A 61 10.764 4.879 -4.134 1.00 13.30 H new ATOM 0 HB2 GLU A 61 8.147 4.625 -5.683 1.00 32.12 H new ATOM 0 HB3 GLU A 61 9.445 5.722 -6.111 1.00 32.12 H new ATOM 0 HG2 GLU A 61 10.970 3.790 -6.447 1.00 15.43 H new ATOM 0 HG3 GLU A 61 9.675 2.691 -6.013 1.00 15.43 H new ATOM 911 N TYR A 62 7.809 5.912 -3.082 1.00 51.33 N ATOM 912 CA TYR A 62 7.092 7.011 -2.430 1.00 25.41 C ATOM 913 C TYR A 62 7.756 7.433 -1.105 1.00 41.53 C ATOM 914 O TYR A 62 8.083 8.607 -0.911 1.00 54.23 O ATOM 915 CB TYR A 62 5.633 6.600 -2.189 1.00 2.33 C ATOM 916 CG TYR A 62 4.799 7.654 -1.487 1.00 73.12 C ATOM 917 CD1 TYR A 62 4.298 8.748 -2.181 1.00 51.50 C ATOM 918 CD2 TYR A 62 4.516 7.556 -0.128 1.00 4.20 C ATOM 919 CE1 TYR A 62 3.541 9.712 -1.546 1.00 74.22 C ATOM 920 CE2 TYR A 62 3.760 8.517 0.512 1.00 52.44 C ATOM 921 CZ TYR A 62 3.274 9.591 -0.200 1.00 25.10 C ATOM 922 OH TYR A 62 2.521 10.553 0.442 1.00 43.14 O ATOM 0 H TYR A 62 7.259 5.060 -3.187 1.00 51.33 H new ATOM 0 HA TYR A 62 7.127 7.875 -3.094 1.00 25.41 H new ATOM 0 HB2 TYR A 62 5.170 6.365 -3.148 1.00 2.33 H new ATOM 0 HB3 TYR A 62 5.618 5.686 -1.595 1.00 2.33 H new ATOM 0 HD1 TYR A 62 4.504 8.846 -3.237 1.00 51.50 H new ATOM 0 HD2 TYR A 62 4.894 6.715 0.434 1.00 4.20 H new ATOM 0 HE1 TYR A 62 3.160 10.556 -2.101 1.00 74.22 H new ATOM 0 HE2 TYR A 62 3.550 8.427 1.568 1.00 52.44 H new ATOM 0 HH TYR A 62 2.689 10.510 1.407 1.00 43.14 H new ATOM 932 N PHE A 63 7.949 6.480 -0.196 1.00 73.33 N ATOM 933 CA PHE A 63 8.580 6.777 1.096 1.00 35.32 C ATOM 934 C PHE A 63 10.017 7.286 0.924 1.00 24.24 C ATOM 935 O PHE A 63 10.443 8.197 1.636 1.00 30.12 O ATOM 936 CB PHE A 63 8.562 5.548 2.011 1.00 70.41 C ATOM 937 CG PHE A 63 7.199 5.238 2.579 1.00 50.40 C ATOM 938 CD1 PHE A 63 6.692 5.984 3.636 1.00 24.14 C ATOM 939 CD2 PHE A 63 6.428 4.205 2.066 1.00 53.14 C ATOM 940 CE1 PHE A 63 5.449 5.705 4.167 1.00 63.43 C ATOM 941 CE2 PHE A 63 5.183 3.923 2.596 1.00 24.21 C ATOM 942 CZ PHE A 63 4.693 4.674 3.647 1.00 33.25 C ATOM 0 H PHE A 63 7.682 5.504 -0.324 1.00 73.33 H new ATOM 0 HA PHE A 63 7.996 7.571 1.562 1.00 35.32 H new ATOM 0 HB2 PHE A 63 8.918 4.683 1.451 1.00 70.41 H new ATOM 0 HB3 PHE A 63 9.261 5.706 2.832 1.00 70.41 H new ATOM 0 HD1 PHE A 63 7.278 6.793 4.047 1.00 24.14 H new ATOM 0 HD2 PHE A 63 6.805 3.615 1.244 1.00 53.14 H new ATOM 0 HE1 PHE A 63 5.068 6.293 4.989 1.00 63.43 H new ATOM 0 HE2 PHE A 63 4.593 3.115 2.188 1.00 24.21 H new ATOM 0 HZ PHE A 63 3.720 4.455 4.061 1.00 33.25 H new