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 180:sc= -0.542 (180deg=-0.261) USER MOD Set 1.2: A 45 CYS SG : rot 75:sc= -0.0204 USER MOD Single : A 4 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 154:sc= 0 (180deg=-0.765) USER MOD Single : A 14 GLN : amide:sc= -0.0997 K(o=-0.1,f=-0.66) USER MOD Single : A 15 MET CE :methyl -121:sc= -0.756 (180deg=-6.17!) USER MOD Single : A 19 THR OG1 : rot -79:sc= -0.333 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 26 ASN : amide:sc= -0.685! X(o=-0.69!,f=-1) USER MOD Single : A 40 SER OG : rot -108:sc= 0.00955 USER MOD Single : A 48 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 1.29 (180deg=0.845) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.677 F(o=-1.4!,f=-0.68) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.08! USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.609 -1.538 2.602 1.00 51.24 N ATOM 43 CA ILE A 3 8.246 -2.075 2.464 1.00 51.33 C ATOM 44 C ILE A 3 8.256 -3.471 1.829 1.00 1.23 C ATOM 45 O ILE A 3 8.834 -3.671 0.761 1.00 64.45 O ATOM 46 CB ILE A 3 7.353 -1.143 1.603 1.00 65.32 C ATOM 47 CG1 ILE A 3 7.365 0.284 2.168 1.00 21.54 C ATOM 48 CG2 ILE A 3 5.922 -1.680 1.522 1.00 5.15 C ATOM 49 CD1 ILE A 3 6.846 0.382 3.586 1.00 75.40 C ATOM 0 HA ILE A 3 7.835 -2.139 3.471 1.00 51.33 H new ATOM 0 HB ILE A 3 7.761 -1.118 0.593 1.00 65.32 H new ATOM 0 HG12 ILE A 3 8.384 0.669 2.136 1.00 21.54 H new ATOM 0 HG13 ILE A 3 6.762 0.925 1.525 1.00 21.54 H new ATOM 0 HG21 ILE A 3 5.316 -1.009 0.913 1.00 5.15 H new ATOM 0 HG22 ILE A 3 5.931 -2.672 1.070 1.00 5.15 H new ATOM 0 HG23 ILE A 3 5.499 -1.742 2.525 1.00 5.15 H new ATOM 0 HD11 ILE A 3 6.885 1.420 3.917 1.00 75.40 H new ATOM 0 HD12 ILE A 3 5.816 0.028 3.622 1.00 75.40 H new ATOM 0 HD13 ILE A 3 7.463 -0.231 4.243 1.00 75.40 H new ATOM 61 N THR A 4 7.601 -4.427 2.483 1.00 3.22 N ATOM 62 CA THR A 4 7.528 -5.807 1.981 1.00 75.22 C ATOM 63 C THR A 4 6.085 -6.182 1.631 1.00 33.45 C ATOM 64 O THR A 4 5.140 -5.634 2.194 1.00 12.43 O ATOM 65 CB THR A 4 8.061 -6.829 3.019 1.00 31.34 C ATOM 66 OG1 THR A 4 7.111 -6.999 4.082 1.00 31.24 O ATOM 67 CG2 THR A 4 9.398 -6.375 3.598 1.00 72.11 C ATOM 0 H THR A 4 7.110 -4.276 3.364 1.00 3.22 H new ATOM 0 HA THR A 4 8.154 -5.847 1.089 1.00 75.22 H new ATOM 0 HB THR A 4 8.208 -7.780 2.507 1.00 31.34 H new ATOM 0 HG1 THR A 4 7.458 -7.647 4.730 1.00 31.24 H new ATOM 0 HG21 THR A 4 9.749 -7.110 4.323 1.00 72.11 H new ATOM 0 HG22 THR A 4 10.129 -6.280 2.795 1.00 72.11 H new ATOM 0 HG23 THR A 4 9.273 -5.411 4.090 1.00 72.11 H new ATOM 75 N LYS A 5 5.912 -7.128 0.713 1.00 12.24 N ATOM 76 CA LYS A 5 4.568 -7.559 0.305 1.00 53.12 C ATOM 77 C LYS A 5 3.844 -8.321 1.431 1.00 0.41 C ATOM 78 O LYS A 5 2.628 -8.507 1.387 1.00 33.43 O ATOM 79 CB LYS A 5 4.654 -8.407 -0.968 1.00 71.14 C ATOM 80 CG LYS A 5 5.671 -9.537 -0.892 1.00 54.44 C ATOM 81 CD LYS A 5 5.805 -10.257 -2.231 1.00 73.14 C ATOM 82 CE LYS A 5 6.916 -11.294 -2.204 1.00 0.35 C ATOM 83 NZ LYS A 5 7.062 -11.980 -3.517 1.00 53.02 N ATOM 0 H LYS A 5 6.675 -7.611 0.238 1.00 12.24 H new ATOM 0 HA LYS A 5 3.977 -6.668 0.095 1.00 53.12 H new ATOM 0 HB2 LYS A 5 3.671 -8.830 -1.178 1.00 71.14 H new ATOM 0 HB3 LYS A 5 4.908 -7.759 -1.807 1.00 71.14 H new ATOM 0 HG2 LYS A 5 6.640 -9.137 -0.594 1.00 54.44 H new ATOM 0 HG3 LYS A 5 5.370 -10.249 -0.123 1.00 54.44 H new ATOM 0 HD2 LYS A 5 4.861 -10.742 -2.479 1.00 73.14 H new ATOM 0 HD3 LYS A 5 6.006 -9.529 -3.017 1.00 73.14 H new ATOM 0 HE2 LYS A 5 7.857 -10.812 -1.939 1.00 0.35 H new ATOM 0 HE3 LYS A 5 6.706 -12.032 -1.429 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 7.829 -12.680 -3.460 1.00 53.02 H new ATOM 0 HZ2 LYS A 5 6.172 -12.461 -3.758 1.00 53.02 H new ATOM 0 HZ3 LYS A 5 7.287 -11.279 -4.252 1.00 53.02 H new ATOM 97 N ASP A 6 4.606 -8.738 2.439 1.00 65.43 N ATOM 98 CA ASP A 6 4.057 -9.410 3.618 1.00 23.23 C ATOM 99 C ASP A 6 3.389 -8.404 4.576 1.00 4.21 C ATOM 100 O ASP A 6 2.520 -8.768 5.374 1.00 1.24 O ATOM 101 CB ASP A 6 5.189 -10.161 4.334 1.00 23.23 C ATOM 102 CG ASP A 6 4.739 -10.844 5.612 1.00 35.42 C ATOM 103 OD1 ASP A 6 4.252 -11.991 5.537 1.00 12.51 O ATOM 104 OD2 ASP A 6 4.868 -10.235 6.696 1.00 24.34 O ATOM 0 H ASP A 6 5.619 -8.621 2.464 1.00 65.43 H new ATOM 0 HA ASP A 6 3.289 -10.114 3.299 1.00 23.23 H new ATOM 0 HB2 ASP A 6 5.605 -10.908 3.658 1.00 23.23 H new ATOM 0 HB3 ASP A 6 5.991 -9.460 4.567 1.00 23.23 H new ATOM 109 N MET A 7 3.794 -7.138 4.476 1.00 40.53 N ATOM 110 CA MET A 7 3.299 -6.084 5.369 1.00 54.14 C ATOM 111 C MET A 7 1.785 -5.857 5.243 1.00 12.22 C ATOM 112 O MET A 7 1.186 -6.062 4.183 1.00 63.44 O ATOM 113 CB MET A 7 4.044 -4.768 5.104 1.00 65.53 C ATOM 114 CG MET A 7 5.490 -4.782 5.572 1.00 71.15 C ATOM 115 SD MET A 7 6.349 -3.237 5.211 1.00 63.30 S ATOM 116 CE MET A 7 7.911 -3.516 6.043 1.00 74.21 C ATOM 0 H MET A 7 4.467 -6.814 3.782 1.00 40.53 H new ATOM 0 HA MET A 7 3.491 -6.422 6.387 1.00 54.14 H new ATOM 0 HB2 MET A 7 4.019 -4.555 4.035 1.00 65.53 H new ATOM 0 HB3 MET A 7 3.517 -3.955 5.604 1.00 65.53 H new ATOM 0 HG2 MET A 7 5.519 -4.968 6.646 1.00 71.15 H new ATOM 0 HG3 MET A 7 6.016 -5.607 5.092 1.00 71.15 H new ATOM 0 HE1 MET A 7 8.689 -2.921 5.565 1.00 74.21 H new ATOM 0 HE2 MET A 7 7.823 -3.225 7.090 1.00 74.21 H new ATOM 0 HE3 MET A 7 8.172 -4.572 5.981 1.00 74.21 H new ATOM 126 N ILE A 8 1.185 -5.425 6.346 1.00 41.34 N ATOM 127 CA ILE A 8 -0.242 -5.117 6.398 1.00 2.34 C ATOM 128 C ILE A 8 -0.531 -3.721 5.819 1.00 24.21 C ATOM 129 O ILE A 8 0.153 -2.749 6.154 1.00 73.21 O ATOM 130 CB ILE A 8 -0.753 -5.183 7.862 1.00 73.40 C ATOM 131 CG1 ILE A 8 -0.490 -6.576 8.462 1.00 5.34 C ATOM 132 CG2 ILE A 8 -2.237 -4.833 7.942 1.00 33.42 C ATOM 133 CD1 ILE A 8 -1.160 -7.707 7.711 1.00 70.44 C ATOM 0 H ILE A 8 1.672 -5.278 7.230 1.00 41.34 H new ATOM 0 HA ILE A 8 -0.764 -5.860 5.795 1.00 2.34 H new ATOM 0 HB ILE A 8 -0.203 -4.445 8.446 1.00 73.40 H new ATOM 0 HG12 ILE A 8 0.585 -6.754 8.483 1.00 5.34 H new ATOM 0 HG13 ILE A 8 -0.835 -6.586 9.496 1.00 5.34 H new ATOM 0 HG21 ILE A 8 -2.568 -4.887 8.979 1.00 33.42 H new ATOM 0 HG22 ILE A 8 -2.394 -3.823 7.563 1.00 33.42 H new ATOM 0 HG23 ILE A 8 -2.810 -5.539 7.341 1.00 33.42 H new ATOM 0 HD11 ILE A 8 -0.926 -8.655 8.196 1.00 70.44 H new ATOM 0 HD12 ILE A 8 -2.239 -7.555 7.712 1.00 70.44 H new ATOM 0 HD13 ILE A 8 -0.797 -7.726 6.683 1.00 70.44 H new ATOM 145 N ILE A 9 -1.552 -3.625 4.962 1.00 25.42 N ATOM 146 CA ILE A 9 -1.920 -2.351 4.324 1.00 32.04 C ATOM 147 C ILE A 9 -2.080 -1.221 5.355 1.00 35.41 C ATOM 148 O ILE A 9 -1.488 -0.147 5.211 1.00 44.23 O ATOM 149 CB ILE A 9 -3.228 -2.489 3.501 1.00 64.14 C ATOM 150 CG1 ILE A 9 -3.052 -3.542 2.392 1.00 64.31 C ATOM 151 CG2 ILE A 9 -3.641 -1.140 2.904 1.00 73.52 C ATOM 152 CD1 ILE A 9 -4.282 -3.742 1.530 1.00 2.44 C ATOM 0 H ILE A 9 -2.141 -4.413 4.692 1.00 25.42 H new ATOM 0 HA ILE A 9 -1.102 -2.093 3.651 1.00 32.04 H new ATOM 0 HB ILE A 9 -4.022 -2.819 4.171 1.00 64.14 H new ATOM 0 HG12 ILE A 9 -2.218 -3.247 1.755 1.00 64.31 H new ATOM 0 HG13 ILE A 9 -2.783 -4.494 2.849 1.00 64.31 H new ATOM 0 HG21 ILE A 9 -4.560 -1.262 2.331 1.00 73.52 H new ATOM 0 HG22 ILE A 9 -3.806 -0.422 3.707 1.00 73.52 H new ATOM 0 HG23 ILE A 9 -2.851 -0.775 2.248 1.00 73.52 H new ATOM 0 HD11 ILE A 9 -4.077 -4.499 0.773 1.00 2.44 H new ATOM 0 HD12 ILE A 9 -5.114 -4.069 2.154 1.00 2.44 H new ATOM 0 HD13 ILE A 9 -4.541 -2.802 1.042 1.00 2.44 H new ATOM 164 N ALA A 10 -2.867 -1.475 6.401 1.00 3.52 N ATOM 165 CA ALA A 10 -3.081 -0.491 7.468 1.00 50.32 C ATOM 166 C ALA A 10 -1.762 -0.072 8.131 1.00 73.32 C ATOM 167 O ALA A 10 -1.552 1.103 8.422 1.00 12.40 O ATOM 168 CB ALA A 10 -4.034 -1.046 8.516 1.00 3.22 C ATOM 0 H ALA A 10 -3.368 -2.353 6.534 1.00 3.52 H new ATOM 0 HA ALA A 10 -3.521 0.395 7.011 1.00 50.32 H new ATOM 0 HB1 ALA A 10 -4.183 -0.305 9.301 1.00 3.22 H new ATOM 0 HB2 ALA A 10 -4.992 -1.279 8.050 1.00 3.22 H new ATOM 0 HB3 ALA A 10 -3.611 -1.953 8.949 1.00 3.22 H new ATOM 174 N ASP A 11 -0.872 -1.039 8.359 1.00 43.43 N ATOM 175 CA ASP A 11 0.417 -0.773 9.011 1.00 43.15 C ATOM 176 C ASP A 11 1.263 0.214 8.182 1.00 40.53 C ATOM 177 O ASP A 11 1.938 1.089 8.732 1.00 64.23 O ATOM 178 CB ASP A 11 1.177 -2.089 9.233 1.00 52.22 C ATOM 179 CG ASP A 11 2.379 -1.930 10.150 1.00 55.13 C ATOM 180 OD1 ASP A 11 2.237 -1.294 11.214 1.00 43.20 O ATOM 181 OD2 ASP A 11 3.462 -2.466 9.832 1.00 1.45 O ATOM 0 H ASP A 11 -1.018 -2.015 8.103 1.00 43.43 H new ATOM 0 HA ASP A 11 0.225 -0.312 9.980 1.00 43.15 H new ATOM 0 HB2 ASP A 11 0.498 -2.828 9.658 1.00 52.22 H new ATOM 0 HB3 ASP A 11 1.509 -2.478 8.270 1.00 52.22 H new ATOM 186 N VAL A 12 1.216 0.066 6.858 1.00 24.41 N ATOM 187 CA VAL A 12 1.876 1.009 5.943 1.00 40.52 C ATOM 188 C VAL A 12 1.228 2.404 6.028 1.00 1.10 C ATOM 189 O VAL A 12 1.919 3.426 6.107 1.00 21.34 O ATOM 190 CB VAL A 12 1.820 0.502 4.473 1.00 72.51 C ATOM 191 CG1 VAL A 12 2.515 1.482 3.522 1.00 62.41 C ATOM 192 CG2 VAL A 12 2.428 -0.898 4.357 1.00 75.43 C ATOM 0 H VAL A 12 0.728 -0.698 6.391 1.00 24.41 H new ATOM 0 HA VAL A 12 2.919 1.080 6.251 1.00 40.52 H new ATOM 0 HB VAL A 12 0.772 0.442 4.180 1.00 72.51 H new ATOM 0 HG11 VAL A 12 2.460 1.101 2.502 1.00 62.41 H new ATOM 0 HG12 VAL A 12 2.021 2.452 3.574 1.00 62.41 H new ATOM 0 HG13 VAL A 12 3.560 1.591 3.812 1.00 62.41 H new ATOM 0 HG21 VAL A 12 2.378 -1.232 3.321 1.00 75.43 H new ATOM 0 HG22 VAL A 12 3.469 -0.870 4.679 1.00 75.43 H new ATOM 0 HG23 VAL A 12 1.871 -1.590 4.988 1.00 75.43 H new ATOM 202 N LEU A 13 -0.105 2.431 6.031 1.00 52.40 N ATOM 203 CA LEU A 13 -0.867 3.684 6.141 1.00 72.11 C ATOM 204 C LEU A 13 -0.551 4.438 7.445 1.00 33.35 C ATOM 205 O LEU A 13 -0.561 5.669 7.474 1.00 22.24 O ATOM 206 CB LEU A 13 -2.373 3.395 6.056 1.00 33.43 C ATOM 207 CG LEU A 13 -2.852 2.789 4.727 1.00 65.34 C ATOM 208 CD1 LEU A 13 -4.347 2.487 4.781 1.00 63.12 C ATOM 209 CD2 LEU A 13 -2.530 3.724 3.561 1.00 55.42 C ATOM 0 H LEU A 13 -0.686 1.596 5.958 1.00 52.40 H new ATOM 0 HA LEU A 13 -0.569 4.322 5.309 1.00 72.11 H new ATOM 0 HB2 LEU A 13 -2.642 2.715 6.864 1.00 33.43 H new ATOM 0 HB3 LEU A 13 -2.915 4.325 6.228 1.00 33.43 H new ATOM 0 HG LEU A 13 -2.321 1.851 4.568 1.00 65.34 H new ATOM 0 HD11 LEU A 13 -4.666 2.059 3.831 1.00 63.12 H new ATOM 0 HD12 LEU A 13 -4.546 1.777 5.584 1.00 63.12 H new ATOM 0 HD13 LEU A 13 -4.898 3.409 4.967 1.00 63.12 H new ATOM 0 HD21 LEU A 13 -2.877 3.277 2.629 1.00 55.42 H new ATOM 0 HD22 LEU A 13 -3.030 4.680 3.713 1.00 55.42 H new ATOM 0 HD23 LEU A 13 -1.453 3.882 3.508 1.00 55.42 H new ATOM 221 N GLN A 14 -0.269 3.694 8.517 1.00 3.33 N ATOM 222 CA GLN A 14 0.096 4.298 9.808 1.00 14.23 C ATOM 223 C GLN A 14 1.383 5.134 9.699 1.00 63.14 C ATOM 224 O GLN A 14 1.577 6.099 10.440 1.00 23.53 O ATOM 225 CB GLN A 14 0.280 3.214 10.877 1.00 13.44 C ATOM 226 CG GLN A 14 -0.991 2.437 11.193 1.00 42.10 C ATOM 227 CD GLN A 14 -2.112 3.309 11.740 1.00 10.14 C ATOM 228 OE1 GLN A 14 -1.874 4.340 12.364 1.00 32.24 O ATOM 229 NE2 GLN A 14 -3.342 2.893 11.522 1.00 32.10 N ATOM 0 H GLN A 14 -0.285 2.674 8.521 1.00 3.33 H new ATOM 0 HA GLN A 14 -0.720 4.960 10.098 1.00 14.23 H new ATOM 0 HB2 GLN A 14 1.048 2.516 10.544 1.00 13.44 H new ATOM 0 HB3 GLN A 14 0.647 3.679 11.792 1.00 13.44 H new ATOM 0 HG2 GLN A 14 -1.337 1.938 10.288 1.00 42.10 H new ATOM 0 HG3 GLN A 14 -0.760 1.657 11.919 1.00 42.10 H new ATOM 0 HE21 GLN A 14 -3.504 2.032 11.000 1.00 32.10 H new ATOM 0 HE22 GLN A 14 -4.133 3.432 11.875 1.00 32.10 H new ATOM 238 N MET A 15 2.262 4.754 8.774 1.00 2.54 N ATOM 239 CA MET A 15 3.527 5.469 8.570 1.00 64.44 C ATOM 240 C MET A 15 3.315 6.674 7.649 1.00 24.14 C ATOM 241 O MET A 15 3.863 7.757 7.877 1.00 72.11 O ATOM 242 CB MET A 15 4.578 4.527 7.974 1.00 21.14 C ATOM 243 CG MET A 15 4.574 3.153 8.622 1.00 41.33 C ATOM 244 SD MET A 15 5.980 2.136 8.142 1.00 22.31 S ATOM 245 CE MET A 15 5.615 1.849 6.417 1.00 1.45 C ATOM 0 H MET A 15 2.125 3.957 8.153 1.00 2.54 H new ATOM 0 HA MET A 15 3.884 5.827 9.536 1.00 64.44 H new ATOM 0 HB2 MET A 15 4.398 4.419 6.904 1.00 21.14 H new ATOM 0 HB3 MET A 15 5.566 4.974 8.087 1.00 21.14 H new ATOM 0 HG2 MET A 15 4.572 3.270 9.706 1.00 41.33 H new ATOM 0 HG3 MET A 15 3.652 2.636 8.355 1.00 41.33 H new ATOM 0 HE1 MET A 15 5.531 0.777 6.236 1.00 1.45 H new ATOM 0 HE2 MET A 15 4.674 2.335 6.158 1.00 1.45 H new ATOM 0 HE3 MET A 15 6.416 2.259 5.802 1.00 1.45 H new ATOM 255 N ASP A 16 2.518 6.475 6.602 1.00 30.44 N ATOM 256 CA ASP A 16 2.145 7.569 5.701 1.00 30.30 C ATOM 257 C ASP A 16 0.863 7.235 4.915 1.00 63.35 C ATOM 258 O ASP A 16 0.809 6.252 4.172 1.00 52.53 O ATOM 259 CB ASP A 16 3.291 7.884 4.733 1.00 74.43 C ATOM 260 CG ASP A 16 3.194 9.293 4.174 1.00 55.42 C ATOM 261 OD1 ASP A 16 2.322 9.545 3.321 1.00 52.22 O ATOM 262 OD2 ASP A 16 3.992 10.153 4.598 1.00 64.13 O ATOM 0 H ASP A 16 2.118 5.570 6.355 1.00 30.44 H new ATOM 0 HA ASP A 16 1.948 8.449 6.313 1.00 30.30 H new ATOM 0 HB2 ASP A 16 4.244 7.763 5.248 1.00 74.43 H new ATOM 0 HB3 ASP A 16 3.279 7.167 3.912 1.00 74.43 H new ATOM 267 N ARG A 17 -0.161 8.073 5.076 1.00 52.44 N ATOM 268 CA ARG A 17 -1.449 7.874 4.399 1.00 53.20 C ATOM 269 C ARG A 17 -1.349 8.116 2.883 1.00 72.53 C ATOM 270 O ARG A 17 -2.217 7.691 2.119 1.00 70.30 O ATOM 271 CB ARG A 17 -2.513 8.800 5.005 1.00 61.05 C ATOM 272 CG ARG A 17 -2.826 8.512 6.472 1.00 40.33 C ATOM 273 CD ARG A 17 -3.449 7.134 6.665 1.00 52.20 C ATOM 274 NE ARG A 17 -3.788 6.877 8.064 1.00 50.44 N ATOM 275 CZ ARG A 17 -4.589 5.927 8.469 1.00 23.32 C ATOM 276 NH1 ARG A 17 -5.159 5.132 7.622 1.00 62.24 N ATOM 277 NH2 ARG A 17 -4.825 5.778 9.727 1.00 21.13 N ATOM 0 H ARG A 17 -0.126 8.900 5.671 1.00 52.44 H new ATOM 0 HA ARG A 17 -1.738 6.834 4.550 1.00 53.20 H new ATOM 0 HB2 ARG A 17 -2.176 9.833 4.912 1.00 61.05 H new ATOM 0 HB3 ARG A 17 -3.431 8.710 4.424 1.00 61.05 H new ATOM 0 HG2 ARG A 17 -1.910 8.580 7.058 1.00 40.33 H new ATOM 0 HG3 ARG A 17 -3.506 9.274 6.854 1.00 40.33 H new ATOM 0 HD2 ARG A 17 -4.348 7.054 6.054 1.00 52.20 H new ATOM 0 HD3 ARG A 17 -2.755 6.370 6.314 1.00 52.20 H new ATOM 0 HE ARG A 17 -3.371 7.481 8.772 1.00 50.44 H new ATOM 0 HH11 ARG A 17 -4.986 5.242 6.623 1.00 62.24 H new ATOM 0 HH12 ARG A 17 -5.782 4.395 7.953 1.00 62.24 H new ATOM 0 HH21 ARG A 17 -4.387 6.401 10.405 1.00 21.13 H new ATOM 0 HH22 ARG A 17 -5.450 5.037 10.044 1.00 21.13 H new ATOM 291 N GLY A 18 -0.279 8.785 2.451 1.00 52.24 N ATOM 292 CA GLY A 18 -0.080 9.060 1.029 1.00 10.01 C ATOM 293 C GLY A 18 0.154 7.799 0.201 1.00 53.24 C ATOM 294 O GLY A 18 0.202 7.851 -1.026 1.00 22.02 O ATOM 0 H GLY A 18 0.457 9.143 3.060 1.00 52.24 H new ATOM 0 HA2 GLY A 18 -0.953 9.585 0.641 1.00 10.01 H new ATOM 0 HA3 GLY A 18 0.773 9.728 0.910 1.00 10.01 H new ATOM 298 N THR A 19 0.306 6.663 0.876 1.00 3.21 N ATOM 299 CA THR A 19 0.447 5.368 0.200 1.00 61.44 C ATOM 300 C THR A 19 -0.915 4.811 -0.244 1.00 25.00 C ATOM 301 O THR A 19 -0.988 3.955 -1.129 1.00 71.44 O ATOM 302 CB THR A 19 1.140 4.328 1.109 1.00 3.24 C ATOM 303 OG1 THR A 19 0.371 4.122 2.303 1.00 12.15 O ATOM 304 CG2 THR A 19 2.550 4.779 1.480 1.00 22.52 C ATOM 0 H THR A 19 0.335 6.609 1.894 1.00 3.21 H new ATOM 0 HA THR A 19 1.065 5.545 -0.680 1.00 61.44 H new ATOM 0 HB THR A 19 1.209 3.391 0.556 1.00 3.24 H new ATOM 0 HG1 THR A 19 0.535 4.858 2.929 1.00 12.15 H new ATOM 0 HG21 THR A 19 3.015 4.029 2.120 1.00 22.52 H new ATOM 0 HG22 THR A 19 3.143 4.901 0.574 1.00 22.52 H new ATOM 0 HG23 THR A 19 2.500 5.729 2.012 1.00 22.52 H new ATOM 312 N ALA A 20 -1.995 5.313 0.361 1.00 0.20 N ATOM 313 CA ALA A 20 -3.357 4.862 0.030 1.00 21.02 C ATOM 314 C ALA A 20 -3.679 5.007 -1.476 1.00 44.11 C ATOM 315 O ALA A 20 -4.115 4.042 -2.109 1.00 1.23 O ATOM 316 CB ALA A 20 -4.391 5.596 0.885 1.00 42.32 C ATOM 0 H ALA A 20 -1.957 6.032 1.083 1.00 0.20 H new ATOM 0 HA ALA A 20 -3.406 3.798 0.260 1.00 21.02 H new ATOM 0 HB1 ALA A 20 -5.391 5.248 0.625 1.00 42.32 H new ATOM 0 HB2 ALA A 20 -4.200 5.395 1.939 1.00 42.32 H new ATOM 0 HB3 ALA A 20 -4.320 6.668 0.701 1.00 42.32 H new ATOM 322 N PRO A 21 -3.468 6.202 -2.089 1.00 71.40 N ATOM 323 CA PRO A 21 -3.676 6.388 -3.539 1.00 21.03 C ATOM 324 C PRO A 21 -2.796 5.452 -4.389 1.00 31.30 C ATOM 325 O PRO A 21 -3.104 5.183 -5.552 1.00 52.43 O ATOM 326 CB PRO A 21 -3.296 7.860 -3.783 1.00 44.02 C ATOM 327 CG PRO A 21 -2.486 8.253 -2.594 1.00 25.31 C ATOM 328 CD PRO A 21 -3.036 7.457 -1.444 1.00 42.35 C ATOM 0 HA PRO A 21 -4.700 6.151 -3.829 1.00 21.03 H new ATOM 0 HB2 PRO A 21 -2.724 7.972 -4.704 1.00 44.02 H new ATOM 0 HB3 PRO A 21 -4.183 8.486 -3.880 1.00 44.02 H new ATOM 0 HG2 PRO A 21 -1.430 8.035 -2.751 1.00 25.31 H new ATOM 0 HG3 PRO A 21 -2.566 9.323 -2.403 1.00 25.31 H new ATOM 0 HD2 PRO A 21 -2.281 7.279 -0.678 1.00 42.35 H new ATOM 0 HD3 PRO A 21 -3.867 7.969 -0.959 1.00 42.35 H new ATOM 336 N ILE A 22 -1.702 4.960 -3.803 1.00 72.42 N ATOM 337 CA ILE A 22 -0.820 4.002 -4.483 1.00 74.44 C ATOM 338 C ILE A 22 -1.442 2.594 -4.475 1.00 73.44 C ATOM 339 O ILE A 22 -1.401 1.875 -5.479 1.00 14.20 O ATOM 340 CB ILE A 22 0.585 3.964 -3.830 1.00 4.13 C ATOM 341 CG1 ILE A 22 1.193 5.377 -3.802 1.00 12.55 C ATOM 342 CG2 ILE A 22 1.504 2.993 -4.574 1.00 34.23 C ATOM 343 CD1 ILE A 22 2.537 5.461 -3.112 1.00 53.53 C ATOM 0 H ILE A 22 -1.404 5.208 -2.860 1.00 72.42 H new ATOM 0 HA ILE A 22 -0.706 4.335 -5.515 1.00 74.44 H new ATOM 0 HB ILE A 22 0.482 3.609 -2.805 1.00 4.13 H new ATOM 0 HG12 ILE A 22 1.300 5.735 -4.826 1.00 12.55 H new ATOM 0 HG13 ILE A 22 0.497 6.050 -3.301 1.00 12.55 H new ATOM 0 HG21 ILE A 22 2.485 2.983 -4.098 1.00 34.23 H new ATOM 0 HG22 ILE A 22 1.076 1.991 -4.544 1.00 34.23 H new ATOM 0 HG23 ILE A 22 1.607 3.312 -5.611 1.00 34.23 H new ATOM 0 HD11 ILE A 22 2.895 6.490 -3.136 1.00 53.53 H new ATOM 0 HD12 ILE A 22 2.435 5.137 -2.076 1.00 53.53 H new ATOM 0 HD13 ILE A 22 3.251 4.817 -3.626 1.00 53.53 H new ATOM 355 N PHE A 23 -2.027 2.209 -3.340 1.00 32.24 N ATOM 356 CA PHE A 23 -2.803 0.967 -3.261 1.00 61.34 C ATOM 357 C PHE A 23 -3.992 1.020 -4.235 1.00 14.35 C ATOM 358 O PHE A 23 -4.254 0.068 -4.974 1.00 42.21 O ATOM 359 CB PHE A 23 -3.314 0.726 -1.830 1.00 23.12 C ATOM 360 CG PHE A 23 -2.232 0.390 -0.831 1.00 35.01 C ATOM 361 CD1 PHE A 23 -1.576 -0.831 -0.887 1.00 50.11 C ATOM 362 CD2 PHE A 23 -1.874 1.289 0.166 1.00 2.03 C ATOM 363 CE1 PHE A 23 -0.588 -1.147 0.023 1.00 71.21 C ATOM 364 CE2 PHE A 23 -0.885 0.976 1.080 1.00 41.12 C ATOM 365 CZ PHE A 23 -0.241 -0.244 1.008 1.00 72.01 C ATOM 0 H PHE A 23 -1.980 2.734 -2.467 1.00 32.24 H new ATOM 0 HA PHE A 23 -2.147 0.142 -3.538 1.00 61.34 H new ATOM 0 HB2 PHE A 23 -3.841 1.617 -1.490 1.00 23.12 H new ATOM 0 HB3 PHE A 23 -4.040 -0.087 -1.848 1.00 23.12 H new ATOM 0 HD1 PHE A 23 -1.842 -1.544 -1.653 1.00 50.11 H new ATOM 0 HD2 PHE A 23 -2.374 2.244 0.228 1.00 2.03 H new ATOM 0 HE1 PHE A 23 -0.086 -2.101 -0.035 1.00 71.21 H new ATOM 0 HE2 PHE A 23 -0.616 1.685 1.849 1.00 41.12 H new ATOM 0 HZ PHE A 23 0.532 -0.491 1.721 1.00 72.01 H new ATOM 375 N ILE A 24 -4.701 2.150 -4.231 1.00 74.14 N ATOM 376 CA ILE A 24 -5.803 2.388 -5.172 1.00 51.54 C ATOM 377 C ILE A 24 -5.302 2.357 -6.627 1.00 12.22 C ATOM 378 O ILE A 24 -5.966 1.822 -7.513 1.00 72.54 O ATOM 379 CB ILE A 24 -6.494 3.749 -4.889 1.00 44.21 C ATOM 380 CG1 ILE A 24 -7.050 3.780 -3.452 1.00 62.14 C ATOM 381 CG2 ILE A 24 -7.607 4.017 -5.904 1.00 14.32 C ATOM 382 CD1 ILE A 24 -7.691 5.101 -3.066 1.00 11.20 C ATOM 0 H ILE A 24 -4.532 2.920 -3.584 1.00 74.14 H new ATOM 0 HA ILE A 24 -6.530 1.588 -5.031 1.00 51.54 H new ATOM 0 HB ILE A 24 -5.749 4.538 -4.989 1.00 44.21 H new ATOM 0 HG12 ILE A 24 -7.787 2.984 -3.341 1.00 62.14 H new ATOM 0 HG13 ILE A 24 -6.240 3.564 -2.755 1.00 62.14 H new ATOM 0 HG21 ILE A 24 -8.076 4.976 -5.685 1.00 14.32 H new ATOM 0 HG22 ILE A 24 -7.185 4.040 -6.909 1.00 14.32 H new ATOM 0 HG23 ILE A 24 -8.354 3.225 -5.842 1.00 14.32 H new ATOM 0 HD11 ILE A 24 -8.057 5.042 -2.041 1.00 11.20 H new ATOM 0 HD12 ILE A 24 -6.953 5.900 -3.142 1.00 11.20 H new ATOM 0 HD13 ILE A 24 -8.524 5.311 -3.737 1.00 11.20 H new ATOM 394 N ASN A 25 -4.115 2.918 -6.854 1.00 32.22 N ATOM 395 CA ASN A 25 -3.482 2.919 -8.182 1.00 21.13 C ATOM 396 C ASN A 25 -3.374 1.499 -8.764 1.00 23.54 C ATOM 397 O ASN A 25 -3.535 1.292 -9.966 1.00 53.15 O ATOM 398 CB ASN A 25 -2.082 3.544 -8.089 1.00 23.24 C ATOM 399 CG ASN A 25 -1.355 3.594 -9.424 1.00 11.14 C ATOM 400 OD1 ASN A 25 -1.962 3.785 -10.473 1.00 33.41 O ATOM 401 ND2 ASN A 25 -0.052 3.402 -9.400 1.00 74.25 N ATOM 0 H ASN A 25 -3.565 3.383 -6.132 1.00 32.22 H new ATOM 0 HA ASN A 25 -4.111 3.508 -8.849 1.00 21.13 H new ATOM 0 HB2 ASN A 25 -2.169 4.556 -7.693 1.00 23.24 H new ATOM 0 HB3 ASN A 25 -1.484 2.974 -7.379 1.00 23.24 H new ATOM 0 HD21 ASN A 25 0.481 3.410 -10.270 1.00 74.25 H new ATOM 0 HD22 ASN A 25 0.424 3.246 -8.512 1.00 74.25 H new ATOM 408 N ASN A 26 -3.096 0.524 -7.905 1.00 60.52 N ATOM 409 CA ASN A 26 -2.956 -0.872 -8.333 1.00 53.30 C ATOM 410 C ASN A 26 -4.297 -1.635 -8.291 1.00 42.21 C ATOM 411 O ASN A 26 -4.369 -2.805 -8.669 1.00 3.53 O ATOM 412 CB ASN A 26 -1.895 -1.573 -7.479 1.00 24.14 C ATOM 413 CG ASN A 26 -0.492 -1.117 -7.844 1.00 41.02 C ATOM 414 OD1 ASN A 26 0.166 -1.728 -8.679 1.00 42.21 O ATOM 415 ND2 ASN A 26 -0.032 -0.033 -7.247 1.00 31.40 N ATOM 0 H ASN A 26 -2.962 0.671 -6.905 1.00 60.52 H new ATOM 0 HA ASN A 26 -2.633 -0.872 -9.374 1.00 53.30 H new ATOM 0 HB2 ASN A 26 -2.082 -1.368 -6.425 1.00 24.14 H new ATOM 0 HB3 ASN A 26 -1.974 -2.652 -7.613 1.00 24.14 H new ATOM 0 HD21 ASN A 26 0.897 0.320 -7.476 1.00 31.40 H new ATOM 0 HD22 ASN A 26 -0.606 0.451 -6.557 1.00 31.40 H new ATOM 422 N GLY A 27 -5.359 -0.966 -7.842 1.00 63.31 N ATOM 423 CA GLY A 27 -6.693 -1.564 -7.875 1.00 51.04 C ATOM 424 C GLY A 27 -7.107 -2.274 -6.586 1.00 60.35 C ATOM 425 O GLY A 27 -7.753 -3.321 -6.635 1.00 43.22 O ATOM 0 H GLY A 27 -5.323 -0.022 -7.456 1.00 63.31 H new ATOM 0 HA2 GLY A 27 -7.421 -0.783 -8.093 1.00 51.04 H new ATOM 0 HA3 GLY A 27 -6.736 -2.278 -8.697 1.00 51.04 H new ATOM 429 N MET A 28 -6.731 -1.721 -5.435 1.00 53.41 N ATOM 430 CA MET A 28 -7.195 -2.242 -4.142 1.00 12.52 C ATOM 431 C MET A 28 -8.620 -1.766 -3.817 1.00 65.31 C ATOM 432 O MET A 28 -9.150 -0.855 -4.462 1.00 71.40 O ATOM 433 CB MET A 28 -6.232 -1.817 -3.029 1.00 24.23 C ATOM 434 CG MET A 28 -4.893 -2.529 -3.088 1.00 35.44 C ATOM 435 SD MET A 28 -5.034 -4.288 -2.713 1.00 63.43 S ATOM 436 CE MET A 28 -3.315 -4.792 -2.776 1.00 33.31 C ATOM 0 H MET A 28 -6.109 -0.915 -5.366 1.00 53.41 H new ATOM 0 HA MET A 28 -7.215 -3.330 -4.209 1.00 12.52 H new ATOM 0 HB2 MET A 28 -6.067 -0.741 -3.092 1.00 24.23 H new ATOM 0 HB3 MET A 28 -6.697 -2.012 -2.062 1.00 24.23 H new ATOM 0 HG2 MET A 28 -4.462 -2.405 -4.081 1.00 35.44 H new ATOM 0 HG3 MET A 28 -4.205 -2.063 -2.382 1.00 35.44 H new ATOM 0 HE1 MET A 28 -3.241 -5.859 -2.564 1.00 33.31 H new ATOM 0 HE2 MET A 28 -2.913 -4.590 -3.769 1.00 33.31 H new ATOM 0 HE3 MET A 28 -2.745 -4.234 -2.033 1.00 33.31 H new ATOM 572 N GLU A 39 -5.622 -6.983 5.896 1.00 60.00 N ATOM 573 CA GLU A 39 -5.071 -7.815 4.822 1.00 22.42 C ATOM 574 C GLU A 39 -3.647 -7.374 4.427 1.00 30.13 C ATOM 575 O GLU A 39 -3.335 -6.180 4.391 1.00 74.25 O ATOM 576 CB GLU A 39 -5.997 -7.777 3.595 1.00 33.20 C ATOM 577 CG GLU A 39 -7.396 -8.330 3.867 1.00 22.33 C ATOM 578 CD GLU A 39 -8.283 -8.357 2.628 1.00 30.51 C ATOM 579 OE1 GLU A 39 -7.995 -9.142 1.701 1.00 70.54 O ATOM 580 OE2 GLU A 39 -9.280 -7.597 2.573 1.00 23.14 O ATOM 0 HA GLU A 39 -5.007 -8.837 5.196 1.00 22.42 H new ATOM 0 HB2 GLU A 39 -6.084 -6.748 3.247 1.00 33.20 H new ATOM 0 HB3 GLU A 39 -5.540 -8.349 2.787 1.00 33.20 H new ATOM 0 HG2 GLU A 39 -7.309 -9.341 4.265 1.00 22.33 H new ATOM 0 HG3 GLU A 39 -7.876 -7.725 4.636 1.00 22.33 H new ATOM 587 N SER A 40 -2.784 -8.351 4.149 1.00 75.12 N ATOM 588 CA SER A 40 -1.411 -8.076 3.697 1.00 12.33 C ATOM 589 C SER A 40 -1.397 -7.635 2.229 1.00 24.14 C ATOM 590 O SER A 40 -2.298 -7.978 1.467 1.00 14.10 O ATOM 591 CB SER A 40 -0.524 -9.320 3.873 1.00 1.24 C ATOM 592 OG SER A 40 -0.478 -9.735 5.230 1.00 71.31 O ATOM 0 H SER A 40 -3.007 -9.343 4.228 1.00 75.12 H new ATOM 0 HA SER A 40 -1.014 -7.267 4.310 1.00 12.33 H new ATOM 0 HB2 SER A 40 -0.907 -10.132 3.255 1.00 1.24 H new ATOM 0 HB3 SER A 40 0.485 -9.102 3.523 1.00 1.24 H new ATOM 0 HG SER A 40 0.402 -9.524 5.607 1.00 71.31 H new ATOM 598 N ILE A 41 -0.371 -6.886 1.832 1.00 53.32 N ATOM 599 CA ILE A 41 -0.275 -6.367 0.462 1.00 41.24 C ATOM 600 C ILE A 41 -0.408 -7.473 -0.604 1.00 24.02 C ATOM 601 O ILE A 41 -1.309 -7.426 -1.441 1.00 73.53 O ATOM 602 CB ILE A 41 1.061 -5.614 0.280 1.00 62.21 C ATOM 603 CG1 ILE A 41 1.118 -4.424 1.255 1.00 1.24 C ATOM 604 CG2 ILE A 41 1.238 -5.144 -1.166 1.00 71.44 C ATOM 605 CD1 ILE A 41 2.519 -4.035 1.649 1.00 74.23 C ATOM 0 H ILE A 41 0.407 -6.623 2.436 1.00 53.32 H new ATOM 0 HA ILE A 41 -1.111 -5.683 0.317 1.00 41.24 H new ATOM 0 HB ILE A 41 1.881 -6.296 0.503 1.00 62.21 H new ATOM 0 HG12 ILE A 41 0.627 -3.566 0.797 1.00 1.24 H new ATOM 0 HG13 ILE A 41 0.553 -4.673 2.153 1.00 1.24 H new ATOM 0 HG21 ILE A 41 2.187 -4.617 -1.264 1.00 71.44 H new ATOM 0 HG22 ILE A 41 1.231 -6.007 -1.832 1.00 71.44 H new ATOM 0 HG23 ILE A 41 0.422 -4.473 -1.433 1.00 71.44 H new ATOM 0 HD11 ILE A 41 2.482 -3.190 2.337 1.00 74.23 H new ATOM 0 HD12 ILE A 41 3.007 -4.879 2.136 1.00 74.23 H new ATOM 0 HD13 ILE A 41 3.082 -3.754 0.759 1.00 74.23 H new ATOM 617 N GLU A 42 0.474 -8.473 -0.565 1.00 70.52 N ATOM 618 CA GLU A 42 0.447 -9.556 -1.562 1.00 5.21 C ATOM 619 C GLU A 42 -0.840 -10.390 -1.457 1.00 55.52 C ATOM 620 O GLU A 42 -1.364 -10.877 -2.465 1.00 33.13 O ATOM 621 CB GLU A 42 1.674 -10.468 -1.414 1.00 61.03 C ATOM 622 CG GLU A 42 1.709 -11.260 -0.111 1.00 33.20 C ATOM 623 CD GLU A 42 2.952 -12.126 0.020 1.00 62.02 C ATOM 624 OE1 GLU A 42 3.122 -13.058 -0.798 1.00 31.42 O ATOM 625 OE2 GLU A 42 3.762 -11.880 0.936 1.00 21.23 O ATOM 0 H GLU A 42 1.210 -8.560 0.136 1.00 70.52 H new ATOM 0 HA GLU A 42 0.470 -9.088 -2.546 1.00 5.21 H new ATOM 0 HB2 GLU A 42 1.698 -11.166 -2.251 1.00 61.03 H new ATOM 0 HB3 GLU A 42 2.576 -9.859 -1.481 1.00 61.03 H new ATOM 0 HG2 GLU A 42 1.663 -10.568 0.730 1.00 33.20 H new ATOM 0 HG3 GLU A 42 0.823 -11.893 -0.052 1.00 33.20 H new ATOM 632 N ASP A 43 -1.346 -10.539 -0.237 1.00 44.51 N ATOM 633 CA ASP A 43 -2.583 -11.284 0.009 1.00 1.34 C ATOM 634 C ASP A 43 -3.782 -10.588 -0.657 1.00 72.13 C ATOM 635 O ASP A 43 -4.518 -11.201 -1.438 1.00 21.54 O ATOM 636 CB ASP A 43 -2.809 -11.427 1.518 1.00 52.24 C ATOM 637 CG ASP A 43 -4.066 -12.211 1.844 1.00 55.21 C ATOM 638 OD1 ASP A 43 -4.021 -13.461 1.820 1.00 72.21 O ATOM 639 OD2 ASP A 43 -5.105 -11.590 2.123 1.00 62.25 O ATOM 0 H ASP A 43 -0.918 -10.152 0.604 1.00 44.51 H new ATOM 0 HA ASP A 43 -2.489 -12.277 -0.430 1.00 1.34 H new ATOM 0 HB2 ASP A 43 -1.948 -11.924 1.966 1.00 52.24 H new ATOM 0 HB3 ASP A 43 -2.875 -10.436 1.968 1.00 52.24 H new ATOM 644 N ALA A 44 -3.963 -9.307 -0.344 1.00 23.34 N ATOM 645 CA ALA A 44 -5.007 -8.491 -0.969 1.00 45.03 C ATOM 646 C ALA A 44 -4.836 -8.451 -2.495 1.00 43.32 C ATOM 647 O ALA A 44 -5.814 -8.497 -3.246 1.00 3.34 O ATOM 648 CB ALA A 44 -4.992 -7.082 -0.387 1.00 73.21 C ATOM 0 H ALA A 44 -3.398 -8.807 0.342 1.00 23.34 H new ATOM 0 HA ALA A 44 -5.974 -8.947 -0.754 1.00 45.03 H new ATOM 0 HB1 ALA A 44 -5.772 -6.485 -0.859 1.00 73.21 H new ATOM 0 HB2 ALA A 44 -5.172 -7.130 0.687 1.00 73.21 H new ATOM 0 HB3 ALA A 44 -4.021 -6.622 -0.572 1.00 73.21 H new ATOM 654 N CYS A 45 -3.583 -8.373 -2.951 1.00 32.01 N ATOM 655 CA CYS A 45 -3.277 -8.467 -4.383 1.00 32.02 C ATOM 656 C CYS A 45 -3.824 -9.771 -4.975 1.00 15.41 C ATOM 657 O CYS A 45 -4.515 -9.760 -5.990 1.00 75.12 O ATOM 658 CB CYS A 45 -1.764 -8.381 -4.632 1.00 24.34 C ATOM 659 SG CYS A 45 -1.034 -6.771 -4.250 1.00 21.30 S ATOM 0 H CYS A 45 -2.766 -8.246 -2.353 1.00 32.01 H new ATOM 0 HA CYS A 45 -3.761 -7.624 -4.876 1.00 32.02 H new ATOM 0 HB2 CYS A 45 -1.266 -9.143 -4.033 1.00 24.34 H new ATOM 0 HB3 CYS A 45 -1.566 -8.617 -5.678 1.00 24.34 H new ATOM 0 HG CYS A 45 -0.941 -6.632 -2.961 1.00 21.30 H new ATOM 665 N ALA A 46 -3.539 -10.891 -4.314 1.00 34.33 N ATOM 666 CA ALA A 46 -3.999 -12.208 -4.776 1.00 1.41 C ATOM 667 C ALA A 46 -5.534 -12.282 -4.863 1.00 33.43 C ATOM 668 O ALA A 46 -6.084 -13.026 -5.676 1.00 13.24 O ATOM 669 CB ALA A 46 -3.470 -13.303 -3.857 1.00 2.42 C ATOM 0 H ALA A 46 -2.991 -10.917 -3.454 1.00 34.33 H new ATOM 0 HA ALA A 46 -3.605 -12.360 -5.781 1.00 1.41 H new ATOM 0 HB1 ALA A 46 -3.818 -14.274 -4.210 1.00 2.42 H new ATOM 0 HB2 ALA A 46 -2.380 -13.285 -3.860 1.00 2.42 H new ATOM 0 HB3 ALA A 46 -3.833 -13.134 -2.843 1.00 2.42 H new ATOM 675 N VAL A 47 -6.219 -11.510 -4.022 1.00 64.12 N ATOM 676 CA VAL A 47 -7.687 -11.448 -4.040 1.00 15.52 C ATOM 677 C VAL A 47 -8.210 -10.791 -5.332 1.00 71.42 C ATOM 678 O VAL A 47 -9.216 -11.223 -5.899 1.00 72.55 O ATOM 679 CB VAL A 47 -8.232 -10.667 -2.814 1.00 15.01 C ATOM 680 CG1 VAL A 47 -9.758 -10.605 -2.833 1.00 24.31 C ATOM 681 CG2 VAL A 47 -7.734 -11.294 -1.512 1.00 45.12 C ATOM 0 H VAL A 47 -5.784 -10.916 -3.316 1.00 64.12 H new ATOM 0 HA VAL A 47 -8.045 -12.477 -3.998 1.00 15.52 H new ATOM 0 HB VAL A 47 -7.855 -9.646 -2.872 1.00 15.01 H new ATOM 0 HG11 VAL A 47 -10.111 -10.052 -1.962 1.00 24.31 H new ATOM 0 HG12 VAL A 47 -10.090 -10.102 -3.741 1.00 24.31 H new ATOM 0 HG13 VAL A 47 -10.164 -11.616 -2.809 1.00 24.31 H new ATOM 0 HG21 VAL A 47 -8.127 -10.733 -0.664 1.00 45.12 H new ATOM 0 HG22 VAL A 47 -8.075 -12.328 -1.452 1.00 45.12 H new ATOM 0 HG23 VAL A 47 -6.644 -11.270 -1.490 1.00 45.12 H new ATOM 691 N HIS A 48 -7.521 -9.749 -5.795 1.00 4.10 N ATOM 692 CA HIS A 48 -7.948 -9.004 -6.991 1.00 3.54 C ATOM 693 C HIS A 48 -6.999 -9.242 -8.185 1.00 73.51 C ATOM 694 O HIS A 48 -7.096 -8.568 -9.211 1.00 44.54 O ATOM 695 CB HIS A 48 -8.025 -7.506 -6.648 1.00 52.21 C ATOM 696 CG HIS A 48 -8.613 -6.651 -7.732 1.00 34.20 C ATOM 697 ND1 HIS A 48 -8.015 -5.498 -8.198 1.00 33.51 N ATOM 698 CD2 HIS A 48 -9.765 -6.775 -8.430 1.00 52.43 C ATOM 699 CE1 HIS A 48 -8.770 -4.955 -9.130 1.00 13.22 C ATOM 700 NE2 HIS A 48 -9.835 -5.708 -9.290 1.00 75.44 N ATOM 0 H HIS A 48 -6.665 -9.398 -5.365 1.00 4.10 H new ATOM 0 HA HIS A 48 -8.932 -9.365 -7.292 1.00 3.54 H new ATOM 0 HB2 HIS A 48 -8.619 -7.383 -5.743 1.00 52.21 H new ATOM 0 HB3 HIS A 48 -7.022 -7.145 -6.422 1.00 52.21 H new ATOM 0 HD2 HIS A 48 -10.493 -7.566 -8.329 1.00 52.43 H new ATOM 0 HE1 HIS A 48 -8.551 -4.046 -9.671 1.00 13.22 H new ATOM 0 HE2 HIS A 48 -10.593 -5.528 -9.948 1.00 75.44 H new ATOM 709 N GLY A 49 -6.085 -10.205 -8.045 1.00 72.31 N ATOM 710 CA GLY A 49 -5.135 -10.521 -9.115 1.00 14.40 C ATOM 711 C GLY A 49 -4.173 -9.373 -9.430 1.00 41.42 C ATOM 712 O GLY A 49 -3.733 -9.212 -10.570 1.00 43.14 O ATOM 0 H GLY A 49 -5.982 -10.777 -7.207 1.00 72.31 H new ATOM 0 HA2 GLY A 49 -4.558 -11.401 -8.831 1.00 14.40 H new ATOM 0 HA3 GLY A 49 -5.688 -10.780 -10.018 1.00 14.40 H new ATOM 716 N ILE A 50 -3.843 -8.585 -8.410 1.00 2.21 N ATOM 717 CA ILE A 50 -2.956 -7.425 -8.563 1.00 1.32 C ATOM 718 C ILE A 50 -1.475 -7.838 -8.551 1.00 31.14 C ATOM 719 O ILE A 50 -1.108 -8.852 -7.956 1.00 60.42 O ATOM 720 CB ILE A 50 -3.196 -6.399 -7.424 1.00 42.35 C ATOM 721 CG1 ILE A 50 -4.683 -6.019 -7.344 1.00 52.21 C ATOM 722 CG2 ILE A 50 -2.328 -5.153 -7.609 1.00 34.41 C ATOM 723 CD1 ILE A 50 -5.012 -5.073 -6.208 1.00 34.13 C ATOM 0 H ILE A 50 -4.178 -8.728 -7.457 1.00 2.21 H new ATOM 0 HA ILE A 50 -3.189 -6.972 -9.527 1.00 1.32 H new ATOM 0 HB ILE A 50 -2.908 -6.868 -6.483 1.00 42.35 H new ATOM 0 HG12 ILE A 50 -4.982 -5.559 -8.286 1.00 52.21 H new ATOM 0 HG13 ILE A 50 -5.275 -6.927 -7.231 1.00 52.21 H new ATOM 0 HG21 ILE A 50 -2.518 -4.453 -6.796 1.00 34.41 H new ATOM 0 HG22 ILE A 50 -1.276 -5.438 -7.603 1.00 34.41 H new ATOM 0 HG23 ILE A 50 -2.570 -4.679 -8.560 1.00 34.41 H new ATOM 0 HD11 ILE A 50 -6.079 -4.851 -6.217 1.00 34.13 H new ATOM 0 HD12 ILE A 50 -4.746 -5.538 -5.259 1.00 34.13 H new ATOM 0 HD13 ILE A 50 -4.448 -4.148 -6.330 1.00 34.13 H new ATOM 735 N ASP A 51 -0.628 -7.041 -9.201 1.00 43.13 N ATOM 736 CA ASP A 51 0.818 -7.272 -9.187 1.00 73.11 C ATOM 737 C ASP A 51 1.447 -6.644 -7.930 1.00 44.25 C ATOM 738 O ASP A 51 1.552 -5.419 -7.817 1.00 23.43 O ATOM 739 CB ASP A 51 1.460 -6.684 -10.449 1.00 62.12 C ATOM 740 CG ASP A 51 2.885 -7.164 -10.646 1.00 42.33 C ATOM 741 OD1 ASP A 51 3.792 -6.636 -9.978 1.00 53.35 O ATOM 742 OD2 ASP A 51 3.097 -8.089 -11.460 1.00 40.25 O ATOM 0 H ASP A 51 -0.918 -6.228 -9.745 1.00 43.13 H new ATOM 0 HA ASP A 51 0.999 -8.347 -9.169 1.00 73.11 H new ATOM 0 HB2 ASP A 51 0.863 -6.958 -11.319 1.00 62.12 H new ATOM 0 HB3 ASP A 51 1.451 -5.596 -10.386 1.00 62.12 H new ATOM 747 N ALA A 52 1.846 -7.481 -6.977 1.00 0.41 N ATOM 748 CA ALA A 52 2.424 -6.999 -5.720 1.00 41.22 C ATOM 749 C ALA A 52 3.874 -6.536 -5.895 1.00 65.14 C ATOM 750 O ALA A 52 4.337 -5.654 -5.173 1.00 11.04 O ATOM 751 CB ALA A 52 2.333 -8.080 -4.648 1.00 1.11 C ATOM 0 H ALA A 52 1.781 -8.496 -7.048 1.00 0.41 H new ATOM 0 HA ALA A 52 1.844 -6.132 -5.403 1.00 41.22 H new ATOM 0 HB1 ALA A 52 2.766 -7.709 -3.719 1.00 1.11 H new ATOM 0 HB2 ALA A 52 1.288 -8.341 -4.482 1.00 1.11 H new ATOM 0 HB3 ALA A 52 2.880 -8.964 -4.975 1.00 1.11 H new ATOM 757 N ASP A 53 4.580 -7.124 -6.856 1.00 42.41 N ATOM 758 CA ASP A 53 5.976 -6.763 -7.114 1.00 32.20 C ATOM 759 C ASP A 53 6.100 -5.265 -7.448 1.00 2.24 C ATOM 760 O ASP A 53 6.948 -4.562 -6.895 1.00 32.53 O ATOM 761 CB ASP A 53 6.538 -7.621 -8.255 1.00 61.35 C ATOM 762 CG ASP A 53 8.037 -7.448 -8.434 1.00 25.21 C ATOM 763 OD1 ASP A 53 8.455 -6.557 -9.204 1.00 23.33 O ATOM 764 OD2 ASP A 53 8.808 -8.214 -7.813 1.00 40.23 O ATOM 0 H ASP A 53 4.212 -7.851 -7.469 1.00 42.41 H new ATOM 0 HA ASP A 53 6.558 -6.955 -6.212 1.00 32.20 H new ATOM 0 HB2 ASP A 53 6.318 -8.670 -8.058 1.00 61.35 H new ATOM 0 HB3 ASP A 53 6.032 -7.359 -9.184 1.00 61.35 H new ATOM 769 N LYS A 54 5.238 -4.780 -8.338 1.00 41.55 N ATOM 770 CA LYS A 54 5.221 -3.360 -8.701 1.00 74.32 C ATOM 771 C LYS A 54 4.626 -2.497 -7.579 1.00 21.21 C ATOM 772 O LYS A 54 5.188 -1.462 -7.225 1.00 30.31 O ATOM 773 CB LYS A 54 4.434 -3.141 -9.998 1.00 24.21 C ATOM 774 CG LYS A 54 5.076 -3.787 -11.221 1.00 61.32 C ATOM 775 CD LYS A 54 4.297 -3.480 -12.496 1.00 2.14 C ATOM 776 CE LYS A 54 4.936 -4.130 -13.714 1.00 14.33 C ATOM 777 NZ LYS A 54 4.214 -3.790 -14.966 1.00 34.14 N ATOM 0 H LYS A 54 4.542 -5.346 -8.822 1.00 41.55 H new ATOM 0 HA LYS A 54 6.256 -3.053 -8.855 1.00 74.32 H new ATOM 0 HB2 LYS A 54 3.427 -3.540 -9.874 1.00 24.21 H new ATOM 0 HB3 LYS A 54 4.333 -2.070 -10.175 1.00 24.21 H new ATOM 0 HG2 LYS A 54 6.100 -3.430 -11.326 1.00 61.32 H new ATOM 0 HG3 LYS A 54 5.128 -4.866 -11.077 1.00 61.32 H new ATOM 0 HD2 LYS A 54 3.271 -3.834 -12.390 1.00 2.14 H new ATOM 0 HD3 LYS A 54 4.249 -2.401 -12.642 1.00 2.14 H new ATOM 0 HE2 LYS A 54 5.974 -3.808 -13.795 1.00 14.33 H new ATOM 0 HE3 LYS A 54 4.947 -5.212 -13.584 1.00 14.33 H new ATOM 0 HZ1 LYS A 54 4.681 -4.252 -15.772 1.00 34.14 H new ATOM 0 HZ2 LYS A 54 3.230 -4.120 -14.900 1.00 34.14 H new ATOM 0 HZ3 LYS A 54 4.225 -2.759 -15.104 1.00 34.14 H new ATOM 791 N LEU A 55 3.495 -2.932 -7.016 1.00 1.31 N ATOM 792 CA LEU A 55 2.827 -2.190 -5.935 1.00 31.30 C ATOM 793 C LEU A 55 3.789 -1.886 -4.776 1.00 75.51 C ATOM 794 O LEU A 55 3.919 -0.739 -4.343 1.00 13.21 O ATOM 795 CB LEU A 55 1.608 -2.980 -5.426 1.00 20.32 C ATOM 796 CG LEU A 55 0.928 -2.429 -4.155 1.00 35.10 C ATOM 797 CD1 LEU A 55 0.553 -0.955 -4.317 1.00 42.34 C ATOM 798 CD2 LEU A 55 -0.305 -3.261 -3.804 1.00 54.20 C ATOM 0 H LEU A 55 3.021 -3.793 -7.288 1.00 1.31 H new ATOM 0 HA LEU A 55 2.492 -1.236 -6.343 1.00 31.30 H new ATOM 0 HB2 LEU A 55 0.866 -3.018 -6.224 1.00 20.32 H new ATOM 0 HB3 LEU A 55 1.920 -4.006 -5.231 1.00 20.32 H new ATOM 0 HG LEU A 55 1.643 -2.502 -3.336 1.00 35.10 H new ATOM 0 HD11 LEU A 55 0.076 -0.598 -3.404 1.00 42.34 H new ATOM 0 HD12 LEU A 55 1.452 -0.370 -4.509 1.00 42.34 H new ATOM 0 HD13 LEU A 55 -0.137 -0.845 -5.153 1.00 42.34 H new ATOM 0 HD21 LEU A 55 -0.772 -2.858 -2.905 1.00 54.20 H new ATOM 0 HD22 LEU A 55 -1.016 -3.224 -4.630 1.00 54.20 H new ATOM 0 HD23 LEU A 55 -0.008 -4.295 -3.626 1.00 54.20 H new ATOM 810 N VAL A 56 4.474 -2.914 -4.285 1.00 24.33 N ATOM 811 CA VAL A 56 5.419 -2.751 -3.178 1.00 42.11 C ATOM 812 C VAL A 56 6.547 -1.766 -3.536 1.00 22.45 C ATOM 813 O VAL A 56 6.930 -0.926 -2.721 1.00 3.34 O ATOM 814 CB VAL A 56 6.020 -4.113 -2.753 1.00 62.40 C ATOM 815 CG1 VAL A 56 7.093 -3.936 -1.681 1.00 43.34 C ATOM 816 CG2 VAL A 56 4.916 -5.042 -2.257 1.00 44.55 C ATOM 0 H VAL A 56 4.395 -3.869 -4.634 1.00 24.33 H new ATOM 0 HA VAL A 56 4.860 -2.338 -2.339 1.00 42.11 H new ATOM 0 HB VAL A 56 6.494 -4.562 -3.626 1.00 62.40 H new ATOM 0 HG11 VAL A 56 7.495 -4.911 -1.404 1.00 43.34 H new ATOM 0 HG12 VAL A 56 7.896 -3.309 -2.070 1.00 43.34 H new ATOM 0 HG13 VAL A 56 6.655 -3.462 -0.803 1.00 43.34 H new ATOM 0 HG21 VAL A 56 5.350 -5.997 -1.961 1.00 44.55 H new ATOM 0 HG22 VAL A 56 4.417 -4.589 -1.401 1.00 44.55 H new ATOM 0 HG23 VAL A 56 4.192 -5.205 -3.055 1.00 44.55 H new ATOM 826 N LYS A 57 7.064 -1.861 -4.757 1.00 33.41 N ATOM 827 CA LYS A 57 8.117 -0.946 -5.218 1.00 34.12 C ATOM 828 C LYS A 57 7.601 0.497 -5.331 1.00 24.44 C ATOM 829 O LYS A 57 8.307 1.441 -4.974 1.00 74.24 O ATOM 830 CB LYS A 57 8.689 -1.431 -6.554 1.00 14.32 C ATOM 831 CG LYS A 57 9.442 -2.751 -6.434 1.00 74.44 C ATOM 832 CD LYS A 57 9.865 -3.304 -7.790 1.00 53.52 C ATOM 833 CE LYS A 57 10.582 -4.640 -7.639 1.00 32.13 C ATOM 834 NZ LYS A 57 10.849 -5.280 -8.950 1.00 3.35 N ATOM 0 H LYS A 57 6.777 -2.556 -5.446 1.00 33.41 H new ATOM 0 HA LYS A 57 8.915 -0.946 -4.476 1.00 34.12 H new ATOM 0 HB2 LYS A 57 7.876 -1.546 -7.271 1.00 14.32 H new ATOM 0 HB3 LYS A 57 9.360 -0.671 -6.953 1.00 14.32 H new ATOM 0 HG2 LYS A 57 10.325 -2.607 -5.812 1.00 74.44 H new ATOM 0 HG3 LYS A 57 8.811 -3.481 -5.928 1.00 74.44 H new ATOM 0 HD2 LYS A 57 8.988 -3.428 -8.425 1.00 53.52 H new ATOM 0 HD3 LYS A 57 10.521 -2.590 -8.289 1.00 53.52 H new ATOM 0 HE2 LYS A 57 11.524 -4.488 -7.111 1.00 32.13 H new ATOM 0 HE3 LYS A 57 9.977 -5.308 -7.026 1.00 32.13 H new ATOM 0 HZ1 LYS A 57 11.704 -5.869 -8.881 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 10.039 -5.875 -9.217 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 10.992 -4.545 -9.672 1.00 3.35 H new ATOM 848 N GLU A 58 6.367 0.666 -5.809 1.00 72.24 N ATOM 849 CA GLU A 58 5.738 1.992 -5.850 1.00 23.44 C ATOM 850 C GLU A 58 5.612 2.579 -4.433 1.00 23.13 C ATOM 851 O GLU A 58 5.783 3.785 -4.228 1.00 32.30 O ATOM 852 CB GLU A 58 4.357 1.931 -6.532 1.00 43.22 C ATOM 853 CG GLU A 58 4.416 1.568 -8.018 1.00 52.14 C ATOM 854 CD GLU A 58 3.160 1.968 -8.783 1.00 53.53 C ATOM 855 OE1 GLU A 58 2.100 1.343 -8.578 1.00 31.34 O ATOM 856 OE2 GLU A 58 3.234 2.911 -9.604 1.00 73.42 O ATOM 0 H GLU A 58 5.786 -0.090 -6.171 1.00 72.24 H new ATOM 0 HA GLU A 58 6.379 2.647 -6.441 1.00 23.44 H new ATOM 0 HB2 GLU A 58 3.738 1.199 -6.013 1.00 43.22 H new ATOM 0 HB3 GLU A 58 3.866 2.898 -6.423 1.00 43.22 H new ATOM 0 HG2 GLU A 58 5.280 2.055 -8.470 1.00 52.14 H new ATOM 0 HG3 GLU A 58 4.567 0.493 -8.117 1.00 52.14 H new ATOM 863 N LEU A 59 5.323 1.718 -3.457 1.00 44.10 N ATOM 864 CA LEU A 59 5.285 2.122 -2.048 1.00 0.53 C ATOM 865 C LEU A 59 6.679 2.536 -1.534 1.00 3.51 C ATOM 866 O LEU A 59 6.840 3.609 -0.951 1.00 13.12 O ATOM 867 CB LEU A 59 4.734 0.975 -1.193 1.00 73.23 C ATOM 868 CG LEU A 59 3.302 0.530 -1.536 1.00 3.12 C ATOM 869 CD1 LEU A 59 2.937 -0.743 -0.778 1.00 12.13 C ATOM 870 CD2 LEU A 59 2.300 1.641 -1.233 1.00 20.52 C ATOM 0 H LEU A 59 5.111 0.733 -3.615 1.00 44.10 H new ATOM 0 HA LEU A 59 4.630 2.989 -1.968 1.00 0.53 H new ATOM 0 HB2 LEU A 59 5.398 0.117 -1.294 1.00 73.23 H new ATOM 0 HB3 LEU A 59 4.762 1.278 -0.146 1.00 73.23 H new ATOM 0 HG LEU A 59 3.261 0.317 -2.604 1.00 3.12 H new ATOM 0 HD11 LEU A 59 1.920 -1.041 -1.035 1.00 12.13 H new ATOM 0 HD12 LEU A 59 3.628 -1.540 -1.051 1.00 12.13 H new ATOM 0 HD13 LEU A 59 3.001 -0.559 0.294 1.00 12.13 H new ATOM 0 HD21 LEU A 59 1.295 1.303 -1.484 1.00 20.52 H new ATOM 0 HD22 LEU A 59 2.345 1.892 -0.173 1.00 20.52 H new ATOM 0 HD23 LEU A 59 2.544 2.523 -1.825 1.00 20.52 H new ATOM 882 N ASN A 60 7.684 1.677 -1.752 1.00 44.43 N ATOM 883 CA ASN A 60 9.062 1.964 -1.310 1.00 63.32 C ATOM 884 C ASN A 60 9.581 3.294 -1.877 1.00 51.51 C ATOM 885 O ASN A 60 10.067 4.147 -1.130 1.00 23.41 O ATOM 886 CB ASN A 60 10.018 0.826 -1.706 1.00 63.54 C ATOM 887 CG ASN A 60 9.920 -0.379 -0.786 1.00 24.22 C ATOM 888 OD1 ASN A 60 9.119 -1.354 -1.155 1.00 71.34 O flip ATOM 889 ND2 ASN A 60 10.573 -0.438 0.248 1.00 53.45 N flip ATOM 0 H ASN A 60 7.573 0.782 -2.229 1.00 44.43 H new ATOM 0 HA ASN A 60 9.032 2.044 -0.223 1.00 63.32 H new ATOM 0 HB2 ASN A 60 9.800 0.515 -2.728 1.00 63.54 H new ATOM 0 HB3 ASN A 60 11.042 1.200 -1.698 1.00 63.54 H new ATOM 0 HD21 ASN A 60 11.186 0.334 0.509 1.00 53.45 H new ATOM 0 HD22 ASN A 60 10.504 -1.259 0.849 1.00 53.45 H new ATOM 896 N GLU A 61 9.473 3.465 -3.194 1.00 51.34 N ATOM 897 CA GLU A 61 9.941 4.690 -3.854 1.00 4.34 C ATOM 898 C GLU A 61 9.258 5.939 -3.279 1.00 13.23 C ATOM 899 O GLU A 61 9.873 6.999 -3.168 1.00 34.52 O ATOM 900 CB GLU A 61 9.713 4.614 -5.369 1.00 14.41 C ATOM 901 CG GLU A 61 10.513 3.512 -6.061 1.00 53.13 C ATOM 902 CD GLU A 61 10.372 3.552 -7.575 1.00 12.10 C ATOM 903 OE1 GLU A 61 9.394 2.982 -8.102 1.00 33.24 O ATOM 904 OE2 GLU A 61 11.235 4.165 -8.243 1.00 22.03 O ATOM 0 H GLU A 61 9.067 2.775 -3.826 1.00 51.34 H new ATOM 0 HA GLU A 61 11.011 4.773 -3.662 1.00 4.34 H new ATOM 0 HB2 GLU A 61 8.652 4.453 -5.559 1.00 14.41 H new ATOM 0 HB3 GLU A 61 9.975 5.574 -5.814 1.00 14.41 H new ATOM 0 HG2 GLU A 61 11.565 3.610 -5.795 1.00 53.13 H new ATOM 0 HG3 GLU A 61 10.180 2.541 -5.694 1.00 53.13 H new ATOM 911 N TYR A 62 7.990 5.805 -2.899 1.00 53.10 N ATOM 912 CA TYR A 62 7.248 6.908 -2.278 1.00 3.23 C ATOM 913 C TYR A 62 7.932 7.378 -0.981 1.00 2.23 C ATOM 914 O TYR A 62 8.137 8.575 -0.773 1.00 24.01 O ATOM 915 CB TYR A 62 5.808 6.475 -1.986 1.00 14.11 C ATOM 916 CG TYR A 62 4.977 7.534 -1.287 1.00 43.00 C ATOM 917 CD1 TYR A 62 4.460 8.616 -1.993 1.00 42.22 C ATOM 918 CD2 TYR A 62 4.718 7.456 0.079 1.00 45.11 C ATOM 919 CE1 TYR A 62 3.706 9.585 -1.360 1.00 23.41 C ATOM 920 CE2 TYR A 62 3.965 8.421 0.716 1.00 54.22 C ATOM 921 CZ TYR A 62 3.462 9.483 -0.006 1.00 44.20 C ATOM 922 OH TYR A 62 2.716 10.449 0.630 1.00 54.31 O ATOM 0 H TYR A 62 7.452 4.946 -3.008 1.00 53.10 H new ATOM 0 HA TYR A 62 7.237 7.744 -2.977 1.00 3.23 H new ATOM 0 HB2 TYR A 62 5.322 6.207 -2.924 1.00 14.11 H new ATOM 0 HB3 TYR A 62 5.827 5.577 -1.369 1.00 14.11 H new ATOM 0 HD1 TYR A 62 4.651 8.699 -3.053 1.00 42.22 H new ATOM 0 HD2 TYR A 62 5.113 6.628 0.649 1.00 45.11 H new ATOM 0 HE1 TYR A 62 3.310 10.418 -1.922 1.00 23.41 H new ATOM 0 HE2 TYR A 62 3.770 8.345 1.776 1.00 54.22 H new ATOM 0 HH TYR A 62 2.637 10.227 1.581 1.00 54.31 H new ATOM 932 N PHE A 63 8.283 6.429 -0.112 1.00 72.42 N ATOM 933 CA PHE A 63 8.998 6.750 1.127 1.00 35.25 C ATOM 934 C PHE A 63 10.365 7.390 0.832 1.00 11.15 C ATOM 935 O PHE A 63 10.783 8.323 1.521 1.00 70.21 O ATOM 936 CB PHE A 63 9.158 5.500 2.003 1.00 52.02 C ATOM 937 CG PHE A 63 7.891 5.118 2.736 1.00 71.41 C ATOM 938 CD1 PHE A 63 7.587 5.695 3.964 1.00 71.13 C ATOM 939 CD2 PHE A 63 7.004 4.190 2.202 1.00 25.01 C ATOM 940 CE1 PHE A 63 6.430 5.353 4.642 1.00 0.51 C ATOM 941 CE2 PHE A 63 5.846 3.847 2.880 1.00 42.22 C ATOM 942 CZ PHE A 63 5.560 4.430 4.100 1.00 41.34 C ATOM 0 H PHE A 63 8.086 5.437 -0.241 1.00 72.42 H new ATOM 0 HA PHE A 63 8.402 7.478 1.677 1.00 35.25 H new ATOM 0 HB2 PHE A 63 9.474 4.665 1.378 1.00 52.02 H new ATOM 0 HB3 PHE A 63 9.952 5.673 2.730 1.00 52.02 H new ATOM 0 HD1 PHE A 63 8.263 6.419 4.394 1.00 71.13 H new ATOM 0 HD2 PHE A 63 7.220 3.732 1.248 1.00 25.01 H new ATOM 0 HE1 PHE A 63 6.208 5.809 5.596 1.00 0.51 H new ATOM 0 HE2 PHE A 63 5.166 3.123 2.455 1.00 42.22 H new ATOM 0 HZ PHE A 63 4.657 4.163 4.628 1.00 41.34 H new