USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 7 GLN : amide:sc= 0 X(o=-0.057,f=-0.14) USER MOD Set 1.2: A 14 CYS SG : rot -160:sc= -0.0566 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.103 (180deg=-0.137) USER MOD Single : A 4 THR OG1 : rot -23:sc= -0.341! USER MOD Single : A 6 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.628! USER MOD Single : A 12 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.27) USER MOD Single : A 16 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.11) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -165:sc= 1.42 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.753 -3.264 0.254 1.00 0.00 N ATOM 2 CA MET A 1 12.384 -3.420 0.715 1.00 0.00 C ATOM 3 C MET A 1 11.389 -3.057 -0.389 1.00 0.00 C ATOM 4 O MET A 1 11.764 -2.454 -1.394 1.00 0.00 O ATOM 5 CB MET A 1 12.149 -2.522 1.931 1.00 0.00 C ATOM 6 CG MET A 1 12.238 -1.044 1.547 1.00 0.00 C ATOM 7 SD MET A 1 11.780 -0.023 2.937 1.00 0.00 S ATOM 8 CE MET A 1 12.801 1.407 2.621 1.00 0.00 C ATOM 0 H1 MET A 1 14.285 -2.686 0.935 1.00 0.00 H new ATOM 0 H2 MET A 1 14.200 -4.199 0.170 1.00 0.00 H new ATOM 0 H3 MET A 1 13.755 -2.795 -0.674 1.00 0.00 H new ATOM 0 HA MET A 1 12.229 -4.464 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.168 -2.732 2.358 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.887 -2.746 2.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.252 -0.803 1.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.580 -0.839 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.638 2.150 3.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.850 1.111 2.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.539 1.834 1.653 1.00 0.00 H new ATOM 18 N ALA A 2 10.140 -3.438 -0.165 1.00 0.00 N ATOM 19 CA ALA A 2 9.089 -3.160 -1.129 1.00 0.00 C ATOM 20 C ALA A 2 8.184 -2.053 -0.584 1.00 0.00 C ATOM 21 O ALA A 2 8.569 -1.325 0.331 1.00 0.00 O ATOM 22 CB ALA A 2 8.318 -4.447 -1.430 1.00 0.00 C ATOM 0 H ALA A 2 9.832 -3.937 0.670 1.00 0.00 H new ATOM 0 HA ALA A 2 9.514 -2.807 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.530 -4.238 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.000 -5.192 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.875 -4.829 -0.510 1.00 0.00 H new ATOM 28 N LEU A 3 6.999 -1.959 -1.168 1.00 0.00 N ATOM 29 CA LEU A 3 6.036 -0.953 -0.753 1.00 0.00 C ATOM 30 C LEU A 3 5.720 -1.139 0.732 1.00 0.00 C ATOM 31 O LEU A 3 6.240 -2.052 1.372 1.00 0.00 O ATOM 32 CB LEU A 3 4.800 -0.990 -1.654 1.00 0.00 C ATOM 33 CG LEU A 3 4.995 -0.472 -3.081 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.166 -1.285 -4.077 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.689 1.025 -3.167 1.00 0.00 C ATOM 0 H LEU A 3 6.683 -2.564 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 3 6.455 0.046 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.444 -2.019 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.012 -0.405 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 3 6.043 -0.603 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.323 -0.896 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.474 -2.330 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.110 -1.209 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.835 1.368 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.656 1.203 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.358 1.572 -2.502 1.00 0.00 H new ATOM 47 N THR A 4 4.869 -0.258 1.238 1.00 0.00 N ATOM 48 CA THR A 4 4.477 -0.314 2.636 1.00 0.00 C ATOM 49 C THR A 4 3.084 0.290 2.824 1.00 0.00 C ATOM 50 O THR A 4 2.920 1.508 2.774 1.00 0.00 O ATOM 51 CB THR A 4 5.560 0.388 3.459 1.00 0.00 C ATOM 52 OG1 THR A 4 6.764 -0.277 3.086 1.00 0.00 O ATOM 53 CG2 THR A 4 5.429 0.109 4.957 1.00 0.00 C ATOM 0 H THR A 4 4.440 0.498 0.705 1.00 0.00 H new ATOM 0 HA THR A 4 4.400 -1.344 2.984 1.00 0.00 H new ATOM 0 HB THR A 4 5.510 1.463 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.552 -1.172 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.221 0.630 5.495 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.459 0.461 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.513 -0.963 5.136 1.00 0.00 H new ATOM 61 N LEU A 5 2.116 -0.589 3.036 1.00 0.00 N ATOM 62 CA LEU A 5 0.743 -0.158 3.232 1.00 0.00 C ATOM 63 C LEU A 5 0.399 -0.225 4.721 1.00 0.00 C ATOM 64 O LEU A 5 0.204 -1.309 5.269 1.00 0.00 O ATOM 65 CB LEU A 5 -0.205 -0.968 2.345 1.00 0.00 C ATOM 66 CG LEU A 5 -1.672 -0.992 2.778 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.406 0.261 2.297 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.361 -2.275 2.309 1.00 0.00 C ATOM 0 H LEU A 5 2.256 -1.599 3.076 1.00 0.00 H new ATOM 0 HA LEU A 5 0.622 0.880 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.152 -0.569 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.158 -1.995 2.303 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.707 -0.987 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.447 0.219 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.931 1.146 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.364 0.312 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.403 -2.267 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.317 -2.335 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.855 -3.138 2.741 1.00 0.00 H new ATOM 80 N TYR A 6 0.334 0.948 5.334 1.00 0.00 N ATOM 81 CA TYR A 6 0.017 1.036 6.750 1.00 0.00 C ATOM 82 C TYR A 6 -1.396 0.520 7.028 1.00 0.00 C ATOM 83 O TYR A 6 -2.320 0.782 6.259 1.00 0.00 O ATOM 84 CB TYR A 6 0.083 2.523 7.105 1.00 0.00 C ATOM 85 CG TYR A 6 1.490 3.120 7.028 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.353 2.992 8.097 1.00 0.00 C ATOM 87 CD2 TYR A 6 1.895 3.785 5.889 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.677 3.554 8.024 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.219 4.347 5.816 1.00 0.00 C ATOM 90 CZ TYR A 6 4.045 4.203 6.888 1.00 0.00 C ATOM 91 OH TYR A 6 5.295 4.734 6.819 1.00 0.00 O ATOM 0 H TYR A 6 0.495 1.845 4.876 1.00 0.00 H new ATOM 0 HA TYR A 6 0.711 0.435 7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.572 3.076 6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.305 2.663 8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.036 2.471 8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.219 3.884 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.362 3.462 8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.549 4.871 4.931 1.00 0.00 H new ATOM 0 HH TYR A 6 5.908 4.201 7.367 1.00 0.00 H new ATOM 101 N GLN A 7 -1.520 -0.206 8.130 1.00 0.00 N ATOM 102 CA GLN A 7 -2.804 -0.761 8.520 1.00 0.00 C ATOM 103 C GLN A 7 -2.738 -1.299 9.950 1.00 0.00 C ATOM 104 O GLN A 7 -1.668 -1.672 10.428 1.00 0.00 O ATOM 105 CB GLN A 7 -3.248 -1.853 7.544 1.00 0.00 C ATOM 106 CG GLN A 7 -2.139 -2.886 7.335 1.00 0.00 C ATOM 107 CD GLN A 7 -2.721 -4.236 6.911 1.00 0.00 C ATOM 108 OE1 GLN A 7 -2.696 -4.616 5.752 1.00 0.00 O ATOM 109 NE2 GLN A 7 -3.243 -4.938 7.913 1.00 0.00 N ATOM 0 H GLN A 7 -0.751 -0.422 8.765 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.547 0.036 8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.142 -2.346 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.516 -1.404 6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.444 -2.530 6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.569 -3.005 8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.231 -4.561 8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.655 -5.854 7.734 1.00 0.00 H new ATOM 118 N ARG A 8 -3.896 -1.323 10.594 1.00 0.00 N ATOM 119 CA ARG A 8 -3.983 -1.809 11.961 1.00 0.00 C ATOM 120 C ARG A 8 -5.215 -2.700 12.130 1.00 0.00 C ATOM 121 O ARG A 8 -6.346 -2.226 12.030 1.00 0.00 O ATOM 122 CB ARG A 8 -4.061 -0.648 12.954 1.00 0.00 C ATOM 123 CG ARG A 8 -5.315 0.195 12.715 1.00 0.00 C ATOM 124 CD ARG A 8 -5.187 1.567 13.380 1.00 0.00 C ATOM 125 NE ARG A 8 -6.467 2.302 13.272 1.00 0.00 N ATOM 126 CZ ARG A 8 -7.564 2.009 13.983 1.00 0.00 C ATOM 127 NH1 ARG A 8 -7.545 0.994 14.858 1.00 0.00 N ATOM 128 NH2 ARG A 8 -8.682 2.730 13.820 1.00 0.00 N ATOM 0 H ARG A 8 -4.782 -1.014 10.194 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.082 -2.387 12.166 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.068 -1.036 13.973 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.174 -0.022 12.857 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.476 0.319 11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.188 -0.325 13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.913 1.448 14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.389 2.138 12.905 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.517 3.081 12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.695 0.444 14.983 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.381 0.771 15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.698 3.503 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.517 2.506 14.362 1.00 0.00 H new ATOM 142 N ASP A 9 -4.955 -3.974 12.384 1.00 0.00 N ATOM 143 CA ASP A 9 -6.029 -4.935 12.568 1.00 0.00 C ATOM 144 C ASP A 9 -6.590 -5.334 11.201 1.00 0.00 C ATOM 145 O ASP A 9 -5.941 -5.130 10.176 1.00 0.00 O ATOM 146 CB ASP A 9 -7.171 -4.334 13.390 1.00 0.00 C ATOM 147 CG ASP A 9 -7.836 -5.298 14.375 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.685 -6.520 14.162 1.00 0.00 O ATOM 149 OD2 ASP A 9 -8.479 -4.790 15.318 1.00 0.00 O ATOM 0 H ASP A 9 -4.016 -4.363 12.467 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.622 -5.799 13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.787 -3.478 13.945 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.931 -3.956 12.706 1.00 0.00 H new ATOM 154 N ASP A 10 -7.789 -5.897 11.231 1.00 0.00 N ATOM 155 CA ASP A 10 -8.445 -6.327 10.007 1.00 0.00 C ATOM 156 C ASP A 10 -9.850 -5.726 9.949 1.00 0.00 C ATOM 157 O ASP A 10 -10.713 -6.077 10.752 1.00 0.00 O ATOM 158 CB ASP A 10 -8.579 -7.850 9.961 1.00 0.00 C ATOM 159 CG ASP A 10 -7.961 -8.591 11.148 1.00 0.00 C ATOM 160 OD1 ASP A 10 -8.416 -8.326 12.282 1.00 0.00 O ATOM 161 OD2 ASP A 10 -7.047 -9.405 10.896 1.00 0.00 O ATOM 0 H ASP A 10 -8.323 -6.065 12.083 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.840 -5.993 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.637 -8.105 9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.114 -8.213 9.044 1.00 0.00 H new ATOM 166 N CYS A 11 -10.037 -4.830 8.990 1.00 0.00 N ATOM 167 CA CYS A 11 -11.323 -4.177 8.816 1.00 0.00 C ATOM 168 C CYS A 11 -11.673 -4.195 7.327 1.00 0.00 C ATOM 169 O CYS A 11 -11.363 -5.155 6.624 1.00 0.00 O ATOM 170 CB CYS A 11 -11.318 -2.757 9.384 1.00 0.00 C ATOM 171 SG CYS A 11 -10.235 -1.682 8.374 1.00 0.00 S ATOM 0 H CYS A 11 -9.319 -4.541 8.326 1.00 0.00 H new ATOM 0 HA CYS A 11 -12.087 -4.718 9.374 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.332 -2.358 9.395 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.969 -2.771 10.417 1.00 0.00 H new ATOM 0 HG CYS A 11 -10.240 -0.478 8.864 1.00 0.00 H new ATOM 177 N HIS A 12 -12.315 -3.121 6.890 1.00 0.00 N ATOM 178 CA HIS A 12 -12.711 -3.001 5.497 1.00 0.00 C ATOM 179 C HIS A 12 -11.864 -1.926 4.813 1.00 0.00 C ATOM 180 O HIS A 12 -11.349 -2.140 3.717 1.00 0.00 O ATOM 181 CB HIS A 12 -14.213 -2.736 5.380 1.00 0.00 C ATOM 182 CG HIS A 12 -14.992 -3.875 4.767 1.00 0.00 C ATOM 183 ND1 HIS A 12 -14.813 -5.194 5.145 1.00 0.00 N ATOM 184 CD2 HIS A 12 -15.954 -3.878 3.800 1.00 0.00 C ATOM 185 CE1 HIS A 12 -15.636 -5.949 4.431 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.341 -5.132 3.597 1.00 0.00 N ATOM 0 H HIS A 12 -12.571 -2.326 7.476 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.526 -3.943 4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.613 -2.528 6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.368 -1.839 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.336 -3.008 3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.731 -7.023 4.498 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -17.049 -5.434 2.928 1.00 0.00 H new ATOM 194 N LEU A 13 -11.745 -0.793 5.490 1.00 0.00 N ATOM 195 CA LEU A 13 -10.969 0.316 4.962 1.00 0.00 C ATOM 196 C LEU A 13 -9.646 -0.212 4.405 1.00 0.00 C ATOM 197 O LEU A 13 -9.173 0.255 3.370 1.00 0.00 O ATOM 198 CB LEU A 13 -10.799 1.404 6.023 1.00 0.00 C ATOM 199 CG LEU A 13 -10.594 2.827 5.499 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.873 3.363 4.854 1.00 0.00 C ATOM 201 CD2 LEU A 13 -10.079 3.750 6.605 1.00 0.00 C ATOM 0 H LEU A 13 -12.173 -0.619 6.399 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.497 0.790 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.680 1.398 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.946 1.143 6.649 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.830 2.798 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.700 4.376 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.156 2.721 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.675 3.375 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.942 4.755 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.802 3.779 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.126 3.375 6.978 1.00 0.00 H new ATOM 213 N CYS A 14 -9.086 -1.180 5.116 1.00 0.00 N ATOM 214 CA CYS A 14 -7.826 -1.777 4.706 1.00 0.00 C ATOM 215 C CYS A 14 -8.103 -2.729 3.541 1.00 0.00 C ATOM 216 O CYS A 14 -7.378 -2.728 2.547 1.00 0.00 O ATOM 217 CB CYS A 14 -7.131 -2.486 5.870 1.00 0.00 C ATOM 218 SG CYS A 14 -5.758 -3.520 5.242 1.00 0.00 S ATOM 0 H CYS A 14 -9.482 -1.566 5.973 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.139 -0.996 4.380 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.749 -1.751 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.847 -3.106 6.409 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.451 -4.419 6.129 1.00 0.00 H new ATOM 224 N ASP A 15 -9.154 -3.520 3.701 1.00 0.00 N ATOM 225 CA ASP A 15 -9.535 -4.475 2.675 1.00 0.00 C ATOM 226 C ASP A 15 -9.623 -3.760 1.325 1.00 0.00 C ATOM 227 O ASP A 15 -9.015 -4.193 0.348 1.00 0.00 O ATOM 228 CB ASP A 15 -10.904 -5.089 2.975 1.00 0.00 C ATOM 229 CG ASP A 15 -10.938 -6.043 4.171 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.837 -6.444 4.607 1.00 0.00 O ATOM 231 OD2 ASP A 15 -12.063 -6.348 4.621 1.00 0.00 O ATOM 0 H ASP A 15 -9.754 -3.519 4.526 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.783 -5.264 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.616 -4.283 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.246 -5.627 2.091 1.00 0.00 H new ATOM 236 N GLN A 16 -10.385 -2.676 1.315 1.00 0.00 N ATOM 237 CA GLN A 16 -10.561 -1.896 0.102 1.00 0.00 C ATOM 238 C GLN A 16 -9.204 -1.433 -0.432 1.00 0.00 C ATOM 239 O GLN A 16 -9.024 -1.292 -1.641 1.00 0.00 O ATOM 240 CB GLN A 16 -11.490 -0.705 0.345 1.00 0.00 C ATOM 241 CG GLN A 16 -12.943 -1.071 0.035 1.00 0.00 C ATOM 242 CD GLN A 16 -13.681 0.107 -0.604 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.268 0.660 -1.610 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.793 0.459 0.036 1.00 0.00 N ATOM 0 H GLN A 16 -10.888 -2.320 2.128 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.029 -2.531 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.406 -0.380 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.182 0.134 -0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.970 -1.929 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.451 -1.368 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.081 -0.047 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.357 1.235 -0.311 1.00 0.00 H new ATOM 253 N ALA A 17 -8.284 -1.208 0.495 1.00 0.00 N ATOM 254 CA ALA A 17 -6.949 -0.764 0.132 1.00 0.00 C ATOM 255 C ALA A 17 -6.191 -1.920 -0.521 1.00 0.00 C ATOM 256 O ALA A 17 -5.628 -1.765 -1.604 1.00 0.00 O ATOM 257 CB ALA A 17 -6.235 -0.226 1.374 1.00 0.00 C ATOM 0 H ALA A 17 -8.437 -1.325 1.497 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.999 0.048 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.233 0.107 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.798 0.613 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.164 -1.015 2.123 1.00 0.00 H new ATOM 263 N VAL A 18 -6.201 -3.055 0.163 1.00 0.00 N ATOM 264 CA VAL A 18 -5.522 -4.237 -0.338 1.00 0.00 C ATOM 265 C VAL A 18 -6.161 -4.666 -1.660 1.00 0.00 C ATOM 266 O VAL A 18 -5.470 -5.126 -2.567 1.00 0.00 O ATOM 267 CB VAL A 18 -5.542 -5.341 0.722 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.868 -6.612 0.203 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.890 -4.865 2.022 1.00 0.00 C ATOM 0 H VAL A 18 -6.669 -3.181 1.061 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.474 -4.018 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.584 -5.579 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.896 -7.380 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.395 -6.968 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.832 -6.395 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.917 -5.668 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.854 -4.585 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.433 -4.002 2.407 1.00 0.00 H new ATOM 279 N GLU A 19 -7.474 -4.500 -1.727 1.00 0.00 N ATOM 280 CA GLU A 19 -8.214 -4.865 -2.923 1.00 0.00 C ATOM 281 C GLU A 19 -7.702 -4.070 -4.126 1.00 0.00 C ATOM 282 O GLU A 19 -7.391 -4.646 -5.168 1.00 0.00 O ATOM 283 CB GLU A 19 -9.716 -4.652 -2.724 1.00 0.00 C ATOM 284 CG GLU A 19 -10.506 -5.890 -3.154 1.00 0.00 C ATOM 285 CD GLU A 19 -11.200 -5.658 -4.498 1.00 0.00 C ATOM 286 OE1 GLU A 19 -11.812 -4.577 -4.642 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.103 -6.566 -5.351 1.00 0.00 O ATOM 0 H GLU A 19 -8.044 -4.118 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.053 -5.925 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.920 -4.431 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.044 -3.788 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.835 -6.746 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.249 -6.134 -2.394 1.00 0.00 H new ATOM 294 N ALA A 20 -7.632 -2.760 -3.943 1.00 0.00 N ATOM 295 CA ALA A 20 -7.163 -1.881 -5.001 1.00 0.00 C ATOM 296 C ALA A 20 -5.752 -2.298 -5.418 1.00 0.00 C ATOM 297 O ALA A 20 -5.421 -2.286 -6.603 1.00 0.00 O ATOM 298 CB ALA A 20 -7.224 -0.429 -4.522 1.00 0.00 C ATOM 0 H ALA A 20 -7.892 -2.286 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.803 -1.963 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.872 0.231 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.252 -0.173 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.591 -0.309 -3.643 1.00 0.00 H new ATOM 304 N LEU A 21 -4.957 -2.658 -4.421 1.00 0.00 N ATOM 305 CA LEU A 21 -3.589 -3.079 -4.669 1.00 0.00 C ATOM 306 C LEU A 21 -3.597 -4.339 -5.538 1.00 0.00 C ATOM 307 O LEU A 21 -3.034 -4.347 -6.631 1.00 0.00 O ATOM 308 CB LEU A 21 -2.832 -3.246 -3.350 1.00 0.00 C ATOM 309 CG LEU A 21 -1.917 -2.087 -2.950 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.566 -2.153 -1.463 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.668 -2.045 -3.832 1.00 0.00 C ATOM 0 H LEU A 21 -5.235 -2.667 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.049 -2.312 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.560 -3.400 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.231 -4.153 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.457 -1.154 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.915 -1.318 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.479 -2.097 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.053 -3.091 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.035 -1.212 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.116 -2.979 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.962 -1.914 -4.873 1.00 0.00 H new ATOM 323 N ALA A 22 -4.241 -5.373 -5.017 1.00 0.00 N ATOM 324 CA ALA A 22 -4.330 -6.636 -5.731 1.00 0.00 C ATOM 325 C ALA A 22 -4.925 -6.391 -7.120 1.00 0.00 C ATOM 326 O ALA A 22 -4.442 -6.936 -8.111 1.00 0.00 O ATOM 327 CB ALA A 22 -5.154 -7.630 -4.911 1.00 0.00 C ATOM 0 H ALA A 22 -4.706 -5.362 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.339 -7.070 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.220 -8.577 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.674 -7.792 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.156 -7.230 -4.755 1.00 0.00 H new ATOM 333 N GLN A 23 -5.965 -5.571 -7.146 1.00 0.00 N ATOM 334 CA GLN A 23 -6.631 -5.247 -8.396 1.00 0.00 C ATOM 335 C GLN A 23 -5.637 -4.629 -9.383 1.00 0.00 C ATOM 336 O GLN A 23 -5.663 -4.941 -10.572 1.00 0.00 O ATOM 337 CB GLN A 23 -7.820 -4.313 -8.159 1.00 0.00 C ATOM 338 CG GLN A 23 -9.055 -5.100 -7.718 1.00 0.00 C ATOM 339 CD GLN A 23 -10.274 -4.726 -8.564 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.504 -5.257 -9.638 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.040 -3.784 -8.021 1.00 0.00 N ATOM 0 H GLN A 23 -6.363 -5.121 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.017 -6.170 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.563 -3.577 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.042 -3.762 -9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.860 -6.169 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.262 -4.900 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.790 -3.381 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.878 -3.465 -8.508 1.00 0.00 H new ATOM 350 N ALA A 24 -4.785 -3.765 -8.852 1.00 0.00 N ATOM 351 CA ALA A 24 -3.785 -3.101 -9.670 1.00 0.00 C ATOM 352 C ALA A 24 -2.624 -4.063 -9.930 1.00 0.00 C ATOM 353 O ALA A 24 -1.756 -3.785 -10.756 1.00 0.00 O ATOM 354 CB ALA A 24 -3.332 -1.813 -8.979 1.00 0.00 C ATOM 0 H ALA A 24 -4.767 -3.509 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.204 -2.822 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.582 -1.315 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.188 -1.152 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.903 -2.053 -8.006 1.00 0.00 H new ATOM 360 N ARG A 25 -2.646 -5.174 -9.209 1.00 0.00 N ATOM 361 CA ARG A 25 -1.606 -6.179 -9.351 1.00 0.00 C ATOM 362 C ARG A 25 -0.236 -5.572 -9.046 1.00 0.00 C ATOM 363 O ARG A 25 0.745 -5.870 -9.725 1.00 0.00 O ATOM 364 CB ARG A 25 -1.594 -6.762 -10.766 1.00 0.00 C ATOM 365 CG ARG A 25 -2.465 -8.017 -10.849 1.00 0.00 C ATOM 366 CD ARG A 25 -1.636 -9.234 -11.263 1.00 0.00 C ATOM 367 NE ARG A 25 -2.483 -10.196 -12.003 1.00 0.00 N ATOM 368 CZ ARG A 25 -2.003 -11.184 -12.771 1.00 0.00 C ATOM 369 NH1 ARG A 25 -0.679 -11.347 -12.904 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.846 -12.010 -13.405 1.00 0.00 N ATOM 0 H ARG A 25 -3.368 -5.401 -8.525 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.819 -6.979 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.956 -6.016 -11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.571 -7.005 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.933 -8.203 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.269 -7.859 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.799 -8.919 -11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.213 -9.713 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.495 -10.101 -11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.037 -10.719 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.314 -12.099 -13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.853 -11.887 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.480 -12.762 -13.989 1.00 0.00 H new ATOM 384 N ALA A 26 -0.212 -4.730 -8.022 1.00 0.00 N ATOM 385 CA ALA A 26 1.022 -4.078 -7.618 1.00 0.00 C ATOM 386 C ALA A 26 2.107 -5.135 -7.408 1.00 0.00 C ATOM 387 O ALA A 26 3.262 -4.926 -7.776 1.00 0.00 O ATOM 388 CB ALA A 26 0.770 -3.243 -6.361 1.00 0.00 C ATOM 0 H ALA A 26 -1.028 -4.485 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 26 1.370 -3.399 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.696 -2.754 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.013 -2.488 -6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.422 -3.892 -5.557 1.00 0.00 H new ATOM 394 N GLY A 27 1.698 -6.248 -6.817 1.00 0.00 N ATOM 395 CA GLY A 27 2.621 -7.339 -6.553 1.00 0.00 C ATOM 396 C GLY A 27 2.689 -7.650 -5.056 1.00 0.00 C ATOM 397 O GLY A 27 1.665 -7.668 -4.375 1.00 0.00 O ATOM 0 H GLY A 27 0.739 -6.418 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.304 -8.228 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.614 -7.077 -6.919 1.00 0.00 H new ATOM 401 N ALA A 28 3.906 -7.886 -4.588 1.00 0.00 N ATOM 402 CA ALA A 28 4.121 -8.194 -3.185 1.00 0.00 C ATOM 403 C ALA A 28 4.512 -6.917 -2.440 1.00 0.00 C ATOM 404 O ALA A 28 5.023 -5.974 -3.043 1.00 0.00 O ATOM 405 CB ALA A 28 5.182 -9.290 -3.060 1.00 0.00 C ATOM 0 H ALA A 28 4.753 -7.870 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 28 3.205 -8.573 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.344 -9.521 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.843 -10.186 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.116 -8.944 -3.503 1.00 0.00 H new ATOM 411 N PHE A 29 4.257 -6.926 -1.140 1.00 0.00 N ATOM 412 CA PHE A 29 4.576 -5.780 -0.306 1.00 0.00 C ATOM 413 C PHE A 29 4.714 -6.190 1.161 1.00 0.00 C ATOM 414 O PHE A 29 4.592 -7.368 1.494 1.00 0.00 O ATOM 415 CB PHE A 29 3.415 -4.792 -0.440 1.00 0.00 C ATOM 416 CG PHE A 29 2.040 -5.411 -0.183 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.645 -5.687 1.089 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.211 -5.685 -1.226 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.369 -6.262 1.328 1.00 0.00 C ATOM 420 CE2 PHE A 29 -0.065 -6.259 -0.988 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.460 -6.535 0.284 1.00 0.00 C ATOM 0 H PHE A 29 3.833 -7.710 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 29 5.522 -5.342 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.568 -3.970 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.428 -4.365 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.302 -5.469 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.524 -5.466 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.056 -6.483 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.722 -6.477 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.431 -6.971 0.465 1.00 0.00 H new ATOM 431 N PHE A 30 4.968 -5.195 1.999 1.00 0.00 N ATOM 432 CA PHE A 30 5.124 -5.438 3.423 1.00 0.00 C ATOM 433 C PHE A 30 4.044 -4.708 4.225 1.00 0.00 C ATOM 434 O PHE A 30 3.621 -3.616 3.852 1.00 0.00 O ATOM 435 CB PHE A 30 6.496 -4.892 3.822 1.00 0.00 C ATOM 436 CG PHE A 30 7.670 -5.742 3.332 1.00 0.00 C ATOM 437 CD1 PHE A 30 7.902 -5.877 1.999 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.483 -6.361 4.230 1.00 0.00 C ATOM 439 CE1 PHE A 30 8.992 -6.665 1.545 1.00 0.00 C ATOM 440 CE2 PHE A 30 9.573 -7.150 3.776 1.00 0.00 C ATOM 441 CZ PHE A 30 9.804 -7.285 2.442 1.00 0.00 C ATOM 0 H PHE A 30 5.070 -4.219 1.719 1.00 0.00 H new ATOM 0 HA PHE A 30 5.035 -6.504 3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.602 -3.882 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.544 -4.816 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.257 -5.385 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.299 -6.252 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.176 -6.772 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.218 -7.642 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.633 -7.885 2.096 1.00 0.00 H new ATOM 451 N SER A 31 3.631 -5.342 5.313 1.00 0.00 N ATOM 452 CA SER A 31 2.609 -4.766 6.171 1.00 0.00 C ATOM 453 C SER A 31 3.262 -4.054 7.357 1.00 0.00 C ATOM 454 O SER A 31 4.260 -4.529 7.898 1.00 0.00 O ATOM 455 CB SER A 31 1.637 -5.840 6.667 1.00 0.00 C ATOM 456 OG SER A 31 0.355 -5.722 6.056 1.00 0.00 O ATOM 0 H SER A 31 3.985 -6.248 5.620 1.00 0.00 H new ATOM 0 HA SER A 31 2.041 -4.041 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.049 -6.827 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.532 -5.762 7.749 1.00 0.00 H new ATOM 0 HG SER A 31 -0.236 -6.425 6.397 1.00 0.00 H new ATOM 462 N VAL A 32 2.673 -2.926 7.726 1.00 0.00 N ATOM 463 CA VAL A 32 3.185 -2.143 8.838 1.00 0.00 C ATOM 464 C VAL A 32 2.014 -1.641 9.685 1.00 0.00 C ATOM 465 O VAL A 32 0.990 -1.223 9.148 1.00 0.00 O ATOM 466 CB VAL A 32 4.074 -1.013 8.317 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.596 -0.150 9.468 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.229 -1.565 7.478 1.00 0.00 C ATOM 0 H VAL A 32 1.846 -2.535 7.275 1.00 0.00 H new ATOM 0 HA VAL A 32 3.811 -2.760 9.483 1.00 0.00 H new ATOM 0 HB VAL A 32 3.465 -0.379 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.225 0.646 9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.755 0.287 10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.180 -0.768 10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.845 -0.740 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.836 -2.233 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.829 -2.115 6.626 1.00 0.00 H new ATOM 478 N PHE A 33 2.205 -1.698 10.995 1.00 0.00 N ATOM 479 CA PHE A 33 1.177 -1.254 11.921 1.00 0.00 C ATOM 480 C PHE A 33 1.549 0.090 12.549 1.00 0.00 C ATOM 481 O PHE A 33 2.651 0.252 13.071 1.00 0.00 O ATOM 482 CB PHE A 33 1.083 -2.310 13.024 1.00 0.00 C ATOM 483 CG PHE A 33 1.013 -3.748 12.505 1.00 0.00 C ATOM 484 CD1 PHE A 33 2.155 -4.407 12.173 1.00 0.00 C ATOM 485 CD2 PHE A 33 -0.191 -4.366 12.375 1.00 0.00 C ATOM 486 CE1 PHE A 33 2.090 -5.742 11.691 1.00 0.00 C ATOM 487 CE2 PHE A 33 -0.256 -5.700 11.893 1.00 0.00 C ATOM 488 CZ PHE A 33 0.886 -6.360 11.561 1.00 0.00 C ATOM 0 H PHE A 33 3.056 -2.045 11.437 1.00 0.00 H new ATOM 0 HA PHE A 33 0.231 -1.129 11.395 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.948 -2.213 13.680 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.199 -2.110 13.630 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.111 -3.916 12.276 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.098 -3.842 12.638 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.997 -6.266 11.428 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.213 -6.191 11.790 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.836 -7.375 11.194 1.00 0.00 H new ATOM 498 N ILE A 34 0.609 1.021 12.479 1.00 0.00 N ATOM 499 CA ILE A 34 0.824 2.346 13.034 1.00 0.00 C ATOM 500 C ILE A 34 0.536 2.318 14.536 1.00 0.00 C ATOM 501 O ILE A 34 0.657 3.337 15.215 1.00 0.00 O ATOM 502 CB ILE A 34 0.003 3.387 12.270 1.00 0.00 C ATOM 503 CG1 ILE A 34 -1.477 3.306 12.651 1.00 0.00 C ATOM 504 CG2 ILE A 34 0.214 3.251 10.761 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.055 4.699 12.905 1.00 0.00 C ATOM 0 H ILE A 34 -0.304 0.883 12.046 1.00 0.00 H new ATOM 0 HA ILE A 34 1.865 2.645 12.914 1.00 0.00 H new ATOM 0 HB ILE A 34 0.356 4.378 12.557 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.035 2.817 11.853 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.593 2.692 13.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.381 4.002 10.241 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.268 3.397 10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.095 2.257 10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.108 4.613 13.174 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.510 5.176 13.720 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.959 5.303 12.002 1.00 0.00 H new ATOM 517 N ASP A 35 0.159 1.140 15.012 1.00 0.00 N ATOM 518 CA ASP A 35 -0.147 0.965 16.422 1.00 0.00 C ATOM 519 C ASP A 35 1.145 0.673 17.187 1.00 0.00 C ATOM 520 O ASP A 35 1.207 -0.276 17.968 1.00 0.00 O ATOM 521 CB ASP A 35 -1.101 -0.212 16.636 1.00 0.00 C ATOM 522 CG ASP A 35 -1.500 -0.463 18.092 1.00 0.00 C ATOM 523 OD1 ASP A 35 -1.100 0.362 18.941 1.00 0.00 O ATOM 524 OD2 ASP A 35 -2.196 -1.476 18.323 1.00 0.00 O ATOM 0 H ASP A 35 0.059 0.297 14.446 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.617 1.880 16.782 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.005 -0.039 16.052 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.635 -1.115 16.242 1.00 0.00 H new ATOM 529 N ASP A 36 2.145 1.505 16.937 1.00 0.00 N ATOM 530 CA ASP A 36 3.432 1.347 17.594 1.00 0.00 C ATOM 531 C ASP A 36 4.279 2.598 17.352 1.00 0.00 C ATOM 532 O ASP A 36 5.503 2.515 17.260 1.00 0.00 O ATOM 533 CB ASP A 36 4.193 0.145 17.032 1.00 0.00 C ATOM 534 CG ASP A 36 4.948 -0.685 18.072 1.00 0.00 C ATOM 535 OD1 ASP A 36 4.726 -0.427 19.274 1.00 0.00 O ATOM 536 OD2 ASP A 36 5.730 -1.560 17.640 1.00 0.00 O ATOM 0 H ASP A 36 2.091 2.291 16.289 1.00 0.00 H new ATOM 0 HA ASP A 36 3.252 1.194 18.658 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.486 -0.504 16.514 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.904 0.500 16.287 1.00 0.00 H new ATOM 541 N ASP A 37 3.595 3.728 17.255 1.00 0.00 N ATOM 542 CA ASP A 37 4.269 4.994 17.025 1.00 0.00 C ATOM 543 C ASP A 37 3.229 6.111 16.926 1.00 0.00 C ATOM 544 O ASP A 37 2.654 6.337 15.862 1.00 0.00 O ATOM 545 CB ASP A 37 5.060 4.968 15.716 1.00 0.00 C ATOM 546 CG ASP A 37 6.510 5.445 15.826 1.00 0.00 C ATOM 547 OD1 ASP A 37 6.697 6.680 15.888 1.00 0.00 O ATOM 548 OD2 ASP A 37 7.397 4.566 15.844 1.00 0.00 O ATOM 0 H ASP A 37 2.580 3.793 17.332 1.00 0.00 H new ATOM 0 HA ASP A 37 4.953 5.167 17.856 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.057 3.950 15.328 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.543 5.590 14.985 1.00 0.00 H new ATOM 553 N ALA A 38 3.017 6.781 18.050 1.00 0.00 N ATOM 554 CA ALA A 38 2.055 7.869 18.103 1.00 0.00 C ATOM 555 C ALA A 38 2.310 8.826 16.937 1.00 0.00 C ATOM 556 O ALA A 38 1.377 9.434 16.413 1.00 0.00 O ATOM 557 CB ALA A 38 2.148 8.567 19.461 1.00 0.00 C ATOM 0 H ALA A 38 3.495 6.591 18.931 1.00 0.00 H new ATOM 0 HA ALA A 38 1.039 7.488 18.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.427 9.383 19.501 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.930 7.851 20.254 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.154 8.965 19.598 1.00 0.00 H new ATOM 563 N ALA A 39 3.577 8.930 16.564 1.00 0.00 N ATOM 564 CA ALA A 39 3.966 9.803 15.469 1.00 0.00 C ATOM 565 C ALA A 39 3.230 9.377 14.197 1.00 0.00 C ATOM 566 O ALA A 39 2.766 10.220 13.432 1.00 0.00 O ATOM 567 CB ALA A 39 5.486 9.768 15.303 1.00 0.00 C ATOM 0 H ALA A 39 4.348 8.424 17.001 1.00 0.00 H new ATOM 0 HA ALA A 39 3.686 10.835 15.682 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.777 10.423 14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.960 10.108 16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.805 8.749 15.085 1.00 0.00 H new ATOM 573 N LEU A 40 3.148 8.068 14.010 1.00 0.00 N ATOM 574 CA LEU A 40 2.477 7.519 12.843 1.00 0.00 C ATOM 575 C LEU A 40 0.963 7.646 13.024 1.00 0.00 C ATOM 576 O LEU A 40 0.230 7.822 12.052 1.00 0.00 O ATOM 577 CB LEU A 40 2.947 6.087 12.579 1.00 0.00 C ATOM 578 CG LEU A 40 4.443 5.911 12.313 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.840 4.435 12.376 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.844 6.557 10.986 1.00 0.00 C ATOM 0 H LEU A 40 3.535 7.371 14.647 1.00 0.00 H new ATOM 0 HA LEU A 40 2.740 8.086 11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.676 5.473 13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.397 5.697 11.722 1.00 0.00 H new ATOM 0 HG LEU A 40 4.993 6.426 13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.908 4.337 12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.612 4.039 13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.283 3.876 11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.912 6.417 10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.288 6.092 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.618 7.623 11.017 1.00 0.00 H new ATOM 592 N GLU A 41 0.539 7.551 14.276 1.00 0.00 N ATOM 593 CA GLU A 41 -0.875 7.653 14.597 1.00 0.00 C ATOM 594 C GLU A 41 -1.377 9.075 14.337 1.00 0.00 C ATOM 595 O GLU A 41 -2.438 9.264 13.744 1.00 0.00 O ATOM 596 CB GLU A 41 -1.140 7.234 16.044 1.00 0.00 C ATOM 597 CG GLU A 41 -1.093 5.712 16.192 1.00 0.00 C ATOM 598 CD GLU A 41 -2.489 5.144 16.458 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.453 5.731 15.920 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.560 4.135 17.193 1.00 0.00 O ATOM 0 H GLU A 41 1.149 7.405 15.080 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.425 6.970 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.398 7.690 16.700 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.115 7.604 16.361 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.682 5.267 15.286 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.425 5.443 17.010 1.00 0.00 H new ATOM 607 N SER A 42 -0.591 10.039 14.794 1.00 0.00 N ATOM 608 CA SER A 42 -0.942 11.438 14.619 1.00 0.00 C ATOM 609 C SER A 42 -0.748 11.847 13.157 1.00 0.00 C ATOM 610 O SER A 42 -1.435 12.739 12.662 1.00 0.00 O ATOM 611 CB SER A 42 -0.109 12.334 15.536 1.00 0.00 C ATOM 612 OG SER A 42 -0.925 13.192 16.330 1.00 0.00 O ATOM 0 H SER A 42 0.288 9.878 15.286 1.00 0.00 H new ATOM 0 HA SER A 42 -1.991 11.564 14.889 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.506 11.714 16.188 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.571 12.936 14.934 1.00 0.00 H new ATOM 0 HG SER A 42 -0.356 13.747 16.903 1.00 0.00 H new ATOM 618 N ALA A 43 0.192 11.175 12.508 1.00 0.00 N ATOM 619 CA ALA A 43 0.486 11.457 11.113 1.00 0.00 C ATOM 620 C ALA A 43 -0.632 10.889 10.236 1.00 0.00 C ATOM 621 O ALA A 43 -1.012 11.497 9.237 1.00 0.00 O ATOM 622 CB ALA A 43 1.858 10.884 10.754 1.00 0.00 C ATOM 0 H ALA A 43 0.760 10.436 12.923 1.00 0.00 H new ATOM 0 HA ALA A 43 0.527 12.532 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.078 11.096 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.620 11.342 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.855 9.806 10.913 1.00 0.00 H new ATOM 628 N TYR A 44 -1.126 9.729 10.642 1.00 0.00 N ATOM 629 CA TYR A 44 -2.192 9.071 9.905 1.00 0.00 C ATOM 630 C TYR A 44 -3.487 9.047 10.719 1.00 0.00 C ATOM 631 O TYR A 44 -4.431 9.774 10.413 1.00 0.00 O ATOM 632 CB TYR A 44 -1.722 7.634 9.675 1.00 0.00 C ATOM 633 CG TYR A 44 -0.579 7.507 8.665 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.566 8.300 7.535 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.438 6.600 8.883 1.00 0.00 C ATOM 636 CE1 TYR A 44 0.509 8.181 6.584 1.00 0.00 C ATOM 637 CE2 TYR A 44 1.513 6.481 7.932 1.00 0.00 C ATOM 638 CZ TYR A 44 1.495 7.278 6.830 1.00 0.00 C ATOM 639 OH TYR A 44 2.511 7.165 5.932 1.00 0.00 O ATOM 0 H TYR A 44 -0.808 9.228 11.472 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.396 9.598 8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.401 7.211 10.627 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.566 7.037 9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.362 9.010 7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.428 5.979 9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.531 8.795 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.315 5.775 8.090 1.00 0.00 H new ATOM 0 HH TYR A 44 3.006 6.337 6.101 1.00 0.00 H new ATOM 649 N GLY A 45 -3.491 8.203 11.741 1.00 0.00 N ATOM 650 CA GLY A 45 -4.654 8.074 12.601 1.00 0.00 C ATOM 651 C GLY A 45 -5.857 7.538 11.821 1.00 0.00 C ATOM 652 O GLY A 45 -6.231 6.376 11.973 1.00 0.00 O ATOM 0 H GLY A 45 -2.706 7.602 11.992 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.425 7.404 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.900 9.044 13.034 1.00 0.00 H new ATOM 656 N LEU A 46 -6.427 8.410 11.003 1.00 0.00 N ATOM 657 CA LEU A 46 -7.579 8.039 10.200 1.00 0.00 C ATOM 658 C LEU A 46 -7.105 7.567 8.823 1.00 0.00 C ATOM 659 O LEU A 46 -7.795 6.799 8.155 1.00 0.00 O ATOM 660 CB LEU A 46 -8.586 9.189 10.142 1.00 0.00 C ATOM 661 CG LEU A 46 -9.704 9.155 11.187 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.681 8.012 10.907 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.129 9.084 12.603 1.00 0.00 C ATOM 0 H LEU A 46 -6.112 9.372 10.879 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.110 7.205 10.659 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.042 10.128 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.041 9.197 9.152 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.268 10.085 11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.465 8.010 11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.127 8.148 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.147 7.062 10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.944 9.061 13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.527 8.181 12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.506 9.959 12.787 1.00 0.00 H new ATOM 675 N ARG A 47 -5.931 8.048 8.441 1.00 0.00 N ATOM 676 CA ARG A 47 -5.356 7.685 7.157 1.00 0.00 C ATOM 677 C ARG A 47 -4.442 6.468 7.309 1.00 0.00 C ATOM 678 O ARG A 47 -3.382 6.402 6.688 1.00 0.00 O ATOM 679 CB ARG A 47 -4.554 8.846 6.565 1.00 0.00 C ATOM 680 CG ARG A 47 -5.457 10.050 6.285 1.00 0.00 C ATOM 681 CD ARG A 47 -4.960 11.292 7.026 1.00 0.00 C ATOM 682 NE ARG A 47 -4.927 12.451 6.106 1.00 0.00 N ATOM 683 CZ ARG A 47 -6.019 13.080 5.651 1.00 0.00 C ATOM 684 NH1 ARG A 47 -7.236 12.665 6.027 1.00 0.00 N ATOM 685 NH2 ARG A 47 -5.893 14.123 4.819 1.00 0.00 N ATOM 0 H ARG A 47 -5.362 8.686 8.998 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.177 7.444 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.761 9.134 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.072 8.526 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.483 10.248 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.478 9.823 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.613 11.507 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.964 11.110 7.431 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.016 12.792 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.331 11.870 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.068 13.144 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.966 14.438 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.724 14.602 4.472 1.00 0.00 H new ATOM 699 N VAL A 48 -4.886 5.534 8.137 1.00 0.00 N ATOM 700 CA VAL A 48 -4.121 4.323 8.379 1.00 0.00 C ATOM 701 C VAL A 48 -3.856 3.618 7.047 1.00 0.00 C ATOM 702 O VAL A 48 -2.740 3.171 6.788 1.00 0.00 O ATOM 703 CB VAL A 48 -4.851 3.436 9.389 1.00 0.00 C ATOM 704 CG1 VAL A 48 -3.919 2.356 9.944 1.00 0.00 C ATOM 705 CG2 VAL A 48 -5.454 4.273 10.519 1.00 0.00 C ATOM 0 H VAL A 48 -5.766 5.592 8.649 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.153 4.564 8.818 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.669 2.938 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.462 1.739 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.559 1.731 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.071 2.827 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.967 3.618 11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.660 4.811 11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.165 4.987 10.103 1.00 0.00 H new ATOM 715 N PRO A 49 -4.929 3.540 6.214 1.00 0.00 N ATOM 716 CA PRO A 49 -4.823 2.898 4.915 1.00 0.00 C ATOM 717 C PRO A 49 -4.074 3.789 3.922 1.00 0.00 C ATOM 718 O PRO A 49 -4.641 4.221 2.920 1.00 0.00 O ATOM 719 CB PRO A 49 -6.257 2.618 4.497 1.00 0.00 C ATOM 720 CG PRO A 49 -7.126 3.524 5.354 1.00 0.00 C ATOM 721 CD PRO A 49 -6.266 4.059 6.487 1.00 0.00 C ATOM 0 HA PRO A 49 -4.244 1.975 4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.402 2.826 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.512 1.570 4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.526 4.344 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.979 2.972 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.271 5.149 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.632 3.720 7.456 1.00 0.00 H new ATOM 729 N VAL A 50 -2.811 4.037 4.236 1.00 0.00 N ATOM 730 CA VAL A 50 -1.978 4.869 3.383 1.00 0.00 C ATOM 731 C VAL A 50 -0.900 4.003 2.730 1.00 0.00 C ATOM 732 O VAL A 50 -0.312 3.140 3.380 1.00 0.00 O ATOM 733 CB VAL A 50 -1.401 6.033 4.191 1.00 0.00 C ATOM 734 CG1 VAL A 50 -0.117 6.563 3.549 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.433 7.151 4.356 1.00 0.00 C ATOM 0 H VAL A 50 -2.344 3.677 5.068 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.571 5.309 2.582 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.150 5.659 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.272 7.390 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.625 5.765 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.332 6.912 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.997 7.966 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.729 7.520 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.308 6.764 4.877 1.00 0.00 H new ATOM 745 N LEU A 51 -0.671 4.263 1.451 1.00 0.00 N ATOM 746 CA LEU A 51 0.326 3.518 0.702 1.00 0.00 C ATOM 747 C LEU A 51 1.543 4.412 0.453 1.00 0.00 C ATOM 748 O LEU A 51 1.402 5.548 0.003 1.00 0.00 O ATOM 749 CB LEU A 51 -0.285 2.941 -0.577 1.00 0.00 C ATOM 750 CG LEU A 51 -0.272 1.415 -0.696 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.867 0.965 -2.033 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.137 0.860 -0.480 1.00 0.00 C ATOM 0 H LEU A 51 -1.159 4.980 0.914 1.00 0.00 H new ATOM 0 HA LEU A 51 0.672 2.660 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.318 3.283 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.249 3.357 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.903 1.005 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.846 -0.123 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.897 1.313 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.282 1.385 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.118 -0.226 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.810 1.274 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.488 1.136 0.514 1.00 0.00 H new ATOM 764 N ARG A 52 2.711 3.864 0.756 1.00 0.00 N ATOM 765 CA ARG A 52 3.952 4.598 0.571 1.00 0.00 C ATOM 766 C ARG A 52 4.949 3.759 -0.232 1.00 0.00 C ATOM 767 O ARG A 52 4.878 2.531 -0.227 1.00 0.00 O ATOM 768 CB ARG A 52 4.577 4.971 1.916 1.00 0.00 C ATOM 769 CG ARG A 52 5.026 3.723 2.678 1.00 0.00 C ATOM 770 CD ARG A 52 6.104 4.067 3.708 1.00 0.00 C ATOM 771 NE ARG A 52 7.404 3.495 3.291 1.00 0.00 N ATOM 772 CZ ARG A 52 8.511 3.517 4.046 1.00 0.00 C ATOM 773 NH1 ARG A 52 8.483 4.082 5.260 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.646 2.973 3.586 1.00 0.00 N ATOM 0 H ARG A 52 2.824 2.921 1.128 1.00 0.00 H new ATOM 0 HA ARG A 52 3.719 5.513 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.431 5.629 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.855 5.527 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.170 3.271 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.411 2.983 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.189 5.149 3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.822 3.676 4.686 1.00 0.00 H new ATOM 0 HE ARG A 52 7.461 3.057 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.619 4.496 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.326 4.099 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.667 2.542 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.489 2.990 4.160 1.00 0.00 H new ATOM 788 N ASP A 53 5.855 4.456 -0.902 1.00 0.00 N ATOM 789 CA ASP A 53 6.865 3.792 -1.707 1.00 0.00 C ATOM 790 C ASP A 53 8.254 4.165 -1.185 1.00 0.00 C ATOM 791 O ASP A 53 8.395 5.102 -0.401 1.00 0.00 O ATOM 792 CB ASP A 53 6.777 4.228 -3.171 1.00 0.00 C ATOM 793 CG ASP A 53 6.100 5.580 -3.403 1.00 0.00 C ATOM 794 OD1 ASP A 53 6.748 6.601 -3.087 1.00 0.00 O ATOM 795 OD2 ASP A 53 4.949 5.562 -3.891 1.00 0.00 O ATOM 0 H ASP A 53 5.910 5.474 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 53 6.696 2.717 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.785 4.268 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.234 3.466 -3.729 1.00 0.00 H new ATOM 800 N PRO A 54 9.270 3.392 -1.653 1.00 0.00 N ATOM 801 CA PRO A 54 10.643 3.631 -1.242 1.00 0.00 C ATOM 802 C PRO A 54 11.216 4.867 -1.938 1.00 0.00 C ATOM 803 O PRO A 54 12.195 5.449 -1.472 1.00 0.00 O ATOM 804 CB PRO A 54 11.388 2.353 -1.592 1.00 0.00 C ATOM 805 CG PRO A 54 10.516 1.627 -2.604 1.00 0.00 C ATOM 806 CD PRO A 54 9.140 2.273 -2.582 1.00 0.00 C ATOM 0 HA PRO A 54 10.731 3.848 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.370 2.575 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.551 1.740 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.953 1.692 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.445 0.568 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.847 2.615 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.377 1.569 -2.249 1.00 0.00 H new ATOM 814 N MET A 55 10.583 5.231 -3.043 1.00 0.00 N ATOM 815 CA MET A 55 11.018 6.387 -3.809 1.00 0.00 C ATOM 816 C MET A 55 10.918 7.666 -2.975 1.00 0.00 C ATOM 817 O MET A 55 11.734 8.574 -3.124 1.00 0.00 O ATOM 818 CB MET A 55 10.151 6.526 -5.062 1.00 0.00 C ATOM 819 CG MET A 55 10.438 5.397 -6.054 1.00 0.00 C ATOM 820 SD MET A 55 9.275 4.064 -5.816 1.00 0.00 S ATOM 821 CE MET A 55 9.909 2.885 -6.997 1.00 0.00 C ATOM 0 H MET A 55 9.772 4.746 -3.427 1.00 0.00 H new ATOM 0 HA MET A 55 12.060 6.240 -4.092 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.097 6.511 -4.783 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.342 7.489 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.369 5.773 -7.075 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.456 5.031 -5.917 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.294 1.985 -6.979 1.00 0.00 H new ATOM 0 HE2 MET A 55 9.884 3.321 -7.996 1.00 0.00 H new ATOM 0 HE3 MET A 55 10.936 2.628 -6.739 1.00 0.00 H new ATOM 831 N GLY A 56 9.911 7.696 -2.114 1.00 0.00 N ATOM 832 CA GLY A 56 9.693 8.848 -1.256 1.00 0.00 C ATOM 833 C GLY A 56 8.354 9.519 -1.568 1.00 0.00 C ATOM 834 O GLY A 56 8.239 10.743 -1.508 1.00 0.00 O ATOM 0 H GLY A 56 9.237 6.940 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.713 8.537 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.503 9.565 -1.391 1.00 0.00 H new ATOM 838 N ARG A 57 7.374 8.689 -1.895 1.00 0.00 N ATOM 839 CA ARG A 57 6.047 9.187 -2.216 1.00 0.00 C ATOM 840 C ARG A 57 4.978 8.277 -1.608 1.00 0.00 C ATOM 841 O ARG A 57 5.281 7.175 -1.154 1.00 0.00 O ATOM 842 CB ARG A 57 5.840 9.265 -3.730 1.00 0.00 C ATOM 843 CG ARG A 57 6.979 10.036 -4.400 1.00 0.00 C ATOM 844 CD ARG A 57 6.434 11.143 -5.304 1.00 0.00 C ATOM 845 NE ARG A 57 5.676 12.127 -4.499 1.00 0.00 N ATOM 846 CZ ARG A 57 6.244 13.044 -3.704 1.00 0.00 C ATOM 847 NH1 ARG A 57 7.579 13.109 -3.603 1.00 0.00 N ATOM 848 NH2 ARG A 57 5.477 13.896 -3.011 1.00 0.00 N ATOM 0 H ARG A 57 7.472 7.675 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 57 5.958 10.189 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.784 8.259 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.889 9.753 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.627 10.470 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.591 9.351 -4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.256 11.639 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.789 10.713 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 57 4.658 12.106 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.163 12.460 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.011 13.807 -2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.461 13.846 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.909 14.594 -2.406 1.00 0.00 H new ATOM 862 N GLU A 58 3.749 8.772 -1.619 1.00 0.00 N ATOM 863 CA GLU A 58 2.633 8.018 -1.075 1.00 0.00 C ATOM 864 C GLU A 58 1.388 8.210 -1.943 1.00 0.00 C ATOM 865 O GLU A 58 1.379 9.047 -2.845 1.00 0.00 O ATOM 866 CB GLU A 58 2.357 8.418 0.376 1.00 0.00 C ATOM 867 CG GLU A 58 2.341 9.940 0.532 1.00 0.00 C ATOM 868 CD GLU A 58 0.917 10.454 0.756 1.00 0.00 C ATOM 869 OE1 GLU A 58 0.014 9.944 0.058 1.00 0.00 O ATOM 870 OE2 GLU A 58 0.765 11.344 1.619 1.00 0.00 O ATOM 0 H GLU A 58 3.502 9.687 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 58 2.897 6.960 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.399 8.006 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.120 7.990 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.972 10.230 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.763 10.405 -0.359 1.00 0.00 H new ATOM 877 N LEU A 59 0.367 7.422 -1.641 1.00 0.00 N ATOM 878 CA LEU A 59 -0.880 7.495 -2.383 1.00 0.00 C ATOM 879 C LEU A 59 -2.033 7.750 -1.410 1.00 0.00 C ATOM 880 O LEU A 59 -2.026 7.246 -0.288 1.00 0.00 O ATOM 881 CB LEU A 59 -1.066 6.244 -3.243 1.00 0.00 C ATOM 882 CG LEU A 59 -1.600 6.475 -4.658 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.982 5.152 -5.324 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.764 7.469 -4.649 1.00 0.00 C ATOM 0 H LEU A 59 0.378 6.729 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.860 8.332 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.106 5.733 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.747 5.569 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.803 6.917 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.358 5.346 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.105 4.508 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.756 4.658 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.125 7.616 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.572 7.078 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.425 8.422 -4.243 1.00 0.00 H new ATOM 896 N ASP A 60 -2.997 8.531 -1.875 1.00 0.00 N ATOM 897 CA ASP A 60 -4.154 8.858 -1.060 1.00 0.00 C ATOM 898 C ASP A 60 -4.948 7.582 -0.773 1.00 0.00 C ATOM 899 O ASP A 60 -5.195 6.785 -1.676 1.00 0.00 O ATOM 900 CB ASP A 60 -5.079 9.837 -1.785 1.00 0.00 C ATOM 901 CG ASP A 60 -5.413 11.110 -1.005 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.496 11.614 -0.321 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.578 11.552 -1.110 1.00 0.00 O ATOM 0 H ASP A 60 -3.000 8.947 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.798 9.315 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.615 10.119 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.009 9.323 -2.027 1.00 0.00 H new ATOM 908 N TRP A 61 -5.324 7.429 0.488 1.00 0.00 N ATOM 909 CA TRP A 61 -6.085 6.263 0.906 1.00 0.00 C ATOM 910 C TRP A 61 -7.158 5.995 -0.152 1.00 0.00 C ATOM 911 O TRP A 61 -7.270 4.881 -0.659 1.00 0.00 O ATOM 912 CB TRP A 61 -6.663 6.460 2.308 1.00 0.00 C ATOM 913 CG TRP A 61 -8.094 5.942 2.469 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.143 6.573 3.015 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.593 4.652 2.057 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.277 5.787 2.984 1.00 0.00 N ATOM 917 CE2 TRP A 61 -9.932 4.582 2.383 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.935 3.580 1.428 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.728 3.461 2.119 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.744 2.467 1.173 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.093 2.380 1.494 1.00 0.00 C ATOM 0 H TRP A 61 -5.116 8.093 1.234 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.441 5.387 0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.021 5.954 3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.642 7.522 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.106 7.571 3.427 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.199 6.043 3.337 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.889 3.613 1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.775 3.431 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.287 1.615 0.692 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.649 1.484 1.263 1.00 0.00 H new ATOM 932 N PRO A 62 -7.940 7.064 -0.461 1.00 0.00 N ATOM 933 CA PRO A 62 -9.000 6.955 -1.448 1.00 0.00 C ATOM 934 C PRO A 62 -8.427 6.921 -2.866 1.00 0.00 C ATOM 935 O PRO A 62 -8.038 7.955 -3.408 1.00 0.00 O ATOM 936 CB PRO A 62 -9.896 8.158 -1.198 1.00 0.00 C ATOM 937 CG PRO A 62 -9.059 9.141 -0.395 1.00 0.00 C ATOM 938 CD PRO A 62 -7.836 8.400 0.120 1.00 0.00 C ATOM 0 HA PRO A 62 -9.566 6.028 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.225 8.602 -2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.793 7.870 -0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.760 9.985 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.638 9.546 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.915 8.895 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.828 8.359 1.209 1.00 0.00 H new ATOM 946 N PHE A 63 -8.392 5.721 -3.427 1.00 0.00 N ATOM 947 CA PHE A 63 -7.873 5.539 -4.772 1.00 0.00 C ATOM 948 C PHE A 63 -8.650 4.451 -5.517 1.00 0.00 C ATOM 949 O PHE A 63 -9.612 3.897 -4.987 1.00 0.00 O ATOM 950 CB PHE A 63 -6.414 5.102 -4.633 1.00 0.00 C ATOM 951 CG PHE A 63 -6.134 4.252 -3.391 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.026 3.301 -3.004 1.00 0.00 C ATOM 953 CD2 PHE A 63 -4.995 4.448 -2.675 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.767 2.513 -1.851 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.736 3.660 -1.523 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.627 2.709 -1.135 1.00 0.00 C ATOM 0 H PHE A 63 -8.715 4.866 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.968 6.467 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.129 4.536 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.781 5.989 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.931 3.145 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.287 5.203 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.475 1.758 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.831 3.816 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.430 2.109 -0.259 1.00 0.00 H new ATOM 966 N ASP A 64 -8.203 4.177 -6.734 1.00 0.00 N ATOM 967 CA ASP A 64 -8.844 3.166 -7.556 1.00 0.00 C ATOM 968 C ASP A 64 -7.802 2.133 -7.991 1.00 0.00 C ATOM 969 O ASP A 64 -6.662 2.164 -7.531 1.00 0.00 O ATOM 970 CB ASP A 64 -9.451 3.784 -8.817 1.00 0.00 C ATOM 971 CG ASP A 64 -10.260 5.062 -8.586 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.659 5.277 -7.421 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.463 5.793 -9.579 1.00 0.00 O ATOM 0 H ASP A 64 -7.404 4.638 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.634 2.703 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.647 4.003 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.096 3.044 -9.292 1.00 0.00 H new ATOM 978 N ALA A 65 -8.232 1.241 -8.872 1.00 0.00 N ATOM 979 CA ALA A 65 -7.350 0.200 -9.373 1.00 0.00 C ATOM 980 C ALA A 65 -6.403 0.799 -10.415 1.00 0.00 C ATOM 981 O ALA A 65 -5.191 0.605 -10.341 1.00 0.00 O ATOM 982 CB ALA A 65 -8.187 -0.949 -9.938 1.00 0.00 C ATOM 0 H ALA A 65 -9.179 1.218 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.739 -0.207 -8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.526 -1.730 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.821 -1.358 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.811 -0.579 -10.752 1.00 0.00 H new ATOM 988 N PRO A 66 -7.008 1.532 -11.387 1.00 0.00 N ATOM 989 CA PRO A 66 -6.231 2.160 -12.443 1.00 0.00 C ATOM 990 C PRO A 66 -5.494 3.395 -11.921 1.00 0.00 C ATOM 991 O PRO A 66 -4.457 3.777 -12.460 1.00 0.00 O ATOM 992 CB PRO A 66 -7.240 2.487 -13.532 1.00 0.00 C ATOM 993 CG PRO A 66 -8.603 2.456 -12.860 1.00 0.00 C ATOM 994 CD PRO A 66 -8.441 1.783 -11.507 1.00 0.00 C ATOM 0 HA PRO A 66 -5.444 1.512 -12.829 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.041 3.466 -13.967 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.188 1.761 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.992 3.467 -12.739 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.319 1.910 -13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.800 2.423 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.011 0.855 -11.455 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.059 3.985 -10.878 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.468 5.169 -10.277 1.00 0.00 C ATOM 1004 C ARG A 67 -4.274 4.781 -9.403 1.00 0.00 C ATOM 1005 O ARG A 67 -3.324 5.550 -9.267 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.491 5.924 -9.426 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.366 7.435 -9.630 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.726 8.122 -9.487 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.079 8.811 -10.749 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.071 9.705 -10.864 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.813 10.024 -9.795 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.320 10.280 -12.048 1.00 0.00 N ATOM 0 H ARG A 67 -6.920 3.665 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.134 5.820 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.498 5.600 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.343 5.682 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.668 7.847 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.953 7.639 -10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.490 7.386 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.696 8.840 -8.667 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.534 8.592 -11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.623 9.587 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.568 10.704 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.755 10.037 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.075 10.960 -12.136 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.363 3.588 -8.832 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.301 3.089 -7.974 1.00 0.00 C ATOM 1028 C LEU A 68 -2.160 2.555 -8.841 1.00 0.00 C ATOM 1029 O LEU A 68 -0.988 2.760 -8.526 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.853 2.063 -6.982 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.895 1.619 -5.874 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.377 2.105 -4.506 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.687 0.104 -5.904 1.00 0.00 C ATOM 0 H LEU A 68 -5.153 2.953 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.889 3.896 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.746 2.480 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.167 1.180 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.924 2.080 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.679 1.776 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.432 3.194 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.365 1.692 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.002 -0.185 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.644 -0.398 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.266 -0.187 -6.867 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.541 1.879 -9.915 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.564 1.314 -10.830 1.00 0.00 C ATOM 1047 C ARG A 69 -0.834 2.429 -11.582 1.00 0.00 C ATOM 1048 O ARG A 69 0.395 2.447 -11.633 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.231 0.378 -11.839 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.212 -0.157 -12.847 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.387 -1.294 -12.241 1.00 0.00 C ATOM 1052 NE ARG A 69 0.829 -1.525 -13.052 1.00 0.00 N ATOM 1053 CZ ARG A 69 1.637 -2.585 -12.911 1.00 0.00 C ATOM 1054 NH1 ARG A 69 1.363 -3.517 -11.988 1.00 0.00 N ATOM 1055 NH2 ARG A 69 2.719 -2.712 -13.691 1.00 0.00 N ATOM 0 H ARG A 69 -3.513 1.710 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.849 0.741 -10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.700 -0.454 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.024 0.910 -12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.729 -0.513 -13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.550 0.649 -13.163 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.109 -1.047 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.984 -2.205 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 69 1.067 -0.834 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.540 -3.419 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.977 -4.324 -11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.928 -2.002 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.334 -3.519 -13.583 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.622 3.331 -12.149 1.00 0.00 N ATOM 1070 CA ALA A 70 -1.067 4.446 -12.896 1.00 0.00 C ATOM 1071 C ALA A 70 -0.087 5.213 -12.006 1.00 0.00 C ATOM 1072 O ALA A 70 0.894 5.772 -12.495 1.00 0.00 O ATOM 1073 CB ALA A 70 -2.203 5.331 -13.413 1.00 0.00 C ATOM 0 H ALA A 70 -2.641 3.312 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.513 4.089 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.786 6.168 -13.974 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.853 4.746 -14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.781 5.711 -12.570 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.387 5.216 -10.716 1.00 0.00 N ATOM 1080 CA TRP A 71 0.454 5.906 -9.753 1.00 0.00 C ATOM 1081 C TRP A 71 1.748 5.104 -9.596 1.00 0.00 C ATOM 1082 O TRP A 71 2.827 5.680 -9.468 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.284 6.115 -8.430 1.00 0.00 C ATOM 1084 CG TRP A 71 0.596 6.664 -7.306 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.014 7.924 -7.125 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.155 5.913 -6.206 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.797 8.041 -5.995 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.885 6.779 -5.418 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.046 4.548 -5.888 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.563 6.376 -4.262 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.729 4.161 -4.730 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.469 5.020 -3.925 1.00 0.00 C ATOM 0 H TRP A 71 -1.201 4.751 -10.315 1.00 0.00 H new ATOM 0 HA TRP A 71 0.704 6.906 -10.107 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.115 6.800 -8.594 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.712 5.165 -8.111 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.769 8.746 -7.782 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.231 8.896 -5.647 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.480 3.853 -6.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.128 7.073 -3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.678 3.122 -4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.969 4.643 -3.045 1.00 0.00 H new ATOM 1103 N LEU A 72 1.596 3.788 -9.611 1.00 0.00 N ATOM 1104 CA LEU A 72 2.739 2.902 -9.471 1.00 0.00 C ATOM 1105 C LEU A 72 3.697 3.124 -10.643 1.00 0.00 C ATOM 1106 O LEU A 72 4.886 3.365 -10.441 1.00 0.00 O ATOM 1107 CB LEU A 72 2.276 1.451 -9.322 1.00 0.00 C ATOM 1108 CG LEU A 72 1.603 1.095 -7.995 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.845 -0.230 -8.102 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.618 1.084 -6.850 1.00 0.00 C ATOM 0 H LEU A 72 0.699 3.314 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 72 3.291 3.132 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.580 1.227 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.140 0.799 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 72 0.869 1.868 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.376 -0.459 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.078 -0.149 -8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.541 -1.027 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.113 0.828 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.393 0.346 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.072 2.070 -6.757 1.00 0.00 H new ATOM 1122 N ASP A 73 3.144 3.033 -11.844 1.00 0.00 N ATOM 1123 CA ASP A 73 3.935 3.221 -13.048 1.00 0.00 C ATOM 1124 C ASP A 73 4.400 4.677 -13.125 1.00 0.00 C ATOM 1125 O ASP A 73 5.529 4.950 -13.532 1.00 0.00 O ATOM 1126 CB ASP A 73 3.109 2.922 -14.301 1.00 0.00 C ATOM 1127 CG ASP A 73 3.867 2.201 -15.418 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.588 1.236 -15.083 1.00 0.00 O ATOM 1129 OD2 ASP A 73 3.708 2.630 -16.581 1.00 0.00 O ATOM 0 H ASP A 73 2.158 2.832 -12.009 1.00 0.00 H new ATOM 0 HA ASP A 73 4.784 2.539 -13.004 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.250 2.315 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.720 3.861 -14.694 1.00 0.00 H new ATOM 1134 N ALA A 74 3.508 5.572 -12.728 1.00 0.00 N ATOM 1135 CA ALA A 74 3.814 6.992 -12.747 1.00 0.00 C ATOM 1136 C ALA A 74 5.246 7.208 -12.254 1.00 0.00 C ATOM 1137 O ALA A 74 5.948 8.093 -12.742 1.00 0.00 O ATOM 1138 CB ALA A 74 2.786 7.747 -11.902 1.00 0.00 C ATOM 0 H ALA A 74 2.573 5.341 -12.391 1.00 0.00 H new ATOM 0 HA ALA A 74 3.753 7.384 -13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.015 8.812 -11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.789 7.585 -12.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.820 7.382 -10.875 1.00 0.00 H new ATOM 1144 N ALA A 75 5.637 6.385 -11.293 1.00 0.00 N ATOM 1145 CA ALA A 75 6.973 6.474 -10.728 1.00 0.00 C ATOM 1146 C ALA A 75 7.360 7.947 -10.577 1.00 0.00 C ATOM 1147 O ALA A 75 8.297 8.415 -11.221 1.00 0.00 O ATOM 1148 CB ALA A 75 7.954 5.702 -11.612 1.00 0.00 C ATOM 0 H ALA A 75 5.052 5.653 -10.891 1.00 0.00 H new ATOM 0 HA ALA A 75 7.002 6.021 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.956 5.769 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.651 4.656 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.955 6.130 -12.614 1.00 0.00 H new ATOM 1154 N PRO A 76 6.599 8.654 -9.699 1.00 0.00 N ATOM 1155 CA PRO A 76 6.853 10.063 -9.454 1.00 0.00 C ATOM 1156 C PRO A 76 8.096 10.254 -8.583 1.00 0.00 C ATOM 1157 O PRO A 76 8.639 9.287 -8.050 1.00 0.00 O ATOM 1158 CB PRO A 76 5.584 10.584 -8.800 1.00 0.00 C ATOM 1159 CG PRO A 76 4.850 9.359 -8.280 1.00 0.00 C ATOM 1160 CD PRO A 76 5.481 8.132 -8.918 1.00 0.00 C ATOM 0 HA PRO A 76 7.070 10.616 -10.368 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.817 11.273 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.972 11.131 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.921 9.304 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.790 9.415 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.822 7.424 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.768 7.604 -9.551 1.00 0.00 H new ATOM 1168 N HIS A 77 8.512 11.506 -8.466 1.00 0.00 N ATOM 1169 CA HIS A 77 9.681 11.836 -7.669 1.00 0.00 C ATOM 1170 C HIS A 77 9.407 13.101 -6.855 1.00 0.00 C ATOM 1171 O HIS A 77 9.513 13.090 -5.629 1.00 0.00 O ATOM 1172 CB HIS A 77 10.924 11.957 -8.553 1.00 0.00 C ATOM 1173 CG HIS A 77 12.142 11.256 -7.999 1.00 0.00 C ATOM 1174 ND1 HIS A 77 13.319 11.120 -8.715 1.00 0.00 N ATOM 1175 CD2 HIS A 77 12.354 10.656 -6.793 1.00 0.00 C ATOM 1176 CE1 HIS A 77 14.192 10.464 -7.964 1.00 0.00 C ATOM 1177 NE2 HIS A 77 13.591 10.177 -6.774 1.00 0.00 N ATOM 0 H HIS A 77 8.060 12.305 -8.910 1.00 0.00 H new ATOM 0 HA HIS A 77 9.884 11.030 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.698 11.548 -9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.157 13.013 -8.692 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.636 10.583 -5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 77 15.202 10.203 -8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.022 9.676 -5.997 1.00 0.00 H new ATOM 1185 N ALA A 78 9.060 14.162 -7.568 1.00 0.00 N ATOM 1186 CA ALA A 78 8.769 15.433 -6.927 1.00 0.00 C ATOM 1187 C ALA A 78 7.547 16.068 -7.593 1.00 0.00 C ATOM 1188 O ALA A 78 7.686 16.932 -8.457 1.00 0.00 O ATOM 1189 CB ALA A 78 10.005 16.333 -6.995 1.00 0.00 C ATOM 0 H ALA A 78 8.974 14.168 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 78 8.530 15.286 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.787 17.287 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.836 15.849 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.273 16.505 -8.037 1.00 0.00 H new TER 1195 ALA A 78