USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 535 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 17 SER OG : rot -37:sc= 0.207 USER MOD Set 1.2: A 48 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 6 THR OG1 : rot 32:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 40 TYR OH : rot -152:sc= 0.549 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -81:sc= -0.0152 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -43:sc= 0.227 USER MOD Single : A 79 ASN : amide:sc= -0.113 K(o=-0.11,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.262 -11.368 -0.188 1.00 1.02 N ATOM 45 CA LEU A 4 10.744 -10.067 -0.548 1.00 0.89 C ATOM 46 C LEU A 4 9.262 -9.932 -0.264 1.00 0.82 C ATOM 47 O LEU A 4 8.564 -10.924 -0.010 1.00 1.00 O ATOM 48 CB LEU A 4 11.026 -9.793 -2.019 1.00 0.93 C ATOM 49 CG LEU A 4 12.494 -9.613 -2.387 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.651 -9.582 -3.888 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.028 -8.321 -1.777 1.00 1.09 C ATOM 0 HA LEU A 4 11.253 -9.329 0.072 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.621 -10.616 -2.607 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.484 -8.894 -2.313 1.00 0.93 H new ATOM 0 HG LEU A 4 13.065 -10.453 -1.991 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.703 -9.453 -4.141 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.288 -10.519 -4.311 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.075 -8.752 -4.297 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.078 -8.199 -2.044 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.456 -7.475 -2.158 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.933 -8.364 -0.692 1.00 1.09 H new ATOM 63 N LEU A 5 8.798 -8.705 -0.321 1.00 0.69 N ATOM 64 CA LEU A 5 7.411 -8.382 -0.103 1.00 0.62 C ATOM 65 C LEU A 5 6.664 -8.677 -1.395 1.00 0.51 C ATOM 66 O LEU A 5 7.015 -8.139 -2.450 1.00 0.50 O ATOM 67 CB LEU A 5 7.297 -6.876 0.208 1.00 0.64 C ATOM 68 CG LEU A 5 5.928 -6.360 0.658 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.619 -6.826 2.063 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.862 -4.847 0.569 1.00 1.01 C ATOM 0 H LEU A 5 9.383 -7.894 -0.523 1.00 0.69 H new ATOM 0 HA LEU A 5 6.999 -8.960 0.724 1.00 0.62 H new ATOM 0 HB2 LEU A 5 8.022 -6.635 0.986 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.591 -6.323 -0.684 1.00 0.64 H new ATOM 0 HG LEU A 5 5.174 -6.770 -0.014 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.642 -6.449 2.365 1.00 1.14 H new ATOM 0 HD12 LEU A 5 5.612 -7.916 2.092 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.380 -6.450 2.747 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.879 -4.506 0.894 1.00 1.01 H new ATOM 0 HD22 LEU A 5 6.628 -4.411 1.210 1.00 1.01 H new ATOM 0 HD23 LEU A 5 6.031 -4.535 -0.462 1.00 1.01 H new ATOM 82 N THR A 6 5.672 -9.513 -1.337 1.00 0.53 N ATOM 83 CA THR A 6 4.924 -9.836 -2.518 1.00 0.54 C ATOM 84 C THR A 6 3.447 -9.448 -2.412 1.00 0.47 C ATOM 85 O THR A 6 3.058 -8.748 -1.468 1.00 0.45 O ATOM 86 CB THR A 6 5.135 -11.303 -2.967 1.00 0.74 C ATOM 87 OG1 THR A 6 5.202 -12.182 -1.824 1.00 0.84 O ATOM 88 CG2 THR A 6 6.401 -11.440 -3.798 1.00 1.01 C ATOM 0 H THR A 6 5.361 -9.984 -0.487 1.00 0.53 H new ATOM 0 HA THR A 6 5.331 -9.215 -3.316 1.00 0.54 H new ATOM 0 HB THR A 6 4.282 -11.588 -3.582 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.632 -11.831 -1.108 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.527 -12.479 -4.101 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.324 -10.810 -4.684 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.261 -11.128 -3.205 1.00 1.01 H new ATOM 96 N THR A 7 2.649 -9.912 -3.362 1.00 0.53 N ATOM 97 CA THR A 7 1.241 -9.589 -3.498 1.00 0.55 C ATOM 98 C THR A 7 0.464 -9.803 -2.189 1.00 0.49 C ATOM 99 O THR A 7 -0.164 -8.878 -1.672 1.00 0.47 O ATOM 100 CB THR A 7 0.674 -10.514 -4.573 1.00 0.73 C ATOM 101 OG1 THR A 7 1.623 -10.560 -5.655 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.660 -9.987 -5.087 1.00 0.95 C ATOM 0 H THR A 7 2.980 -10.549 -4.087 1.00 0.53 H new ATOM 0 HA THR A 7 1.139 -8.536 -3.761 1.00 0.55 H new ATOM 0 HB THR A 7 0.507 -11.508 -4.157 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.285 -11.150 -6.361 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.047 -10.660 -5.852 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.370 -9.928 -4.262 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.519 -8.995 -5.515 1.00 0.95 H new ATOM 110 N ASP A 8 0.542 -10.999 -1.648 1.00 0.57 N ATOM 111 CA ASP A 8 -0.220 -11.355 -0.451 1.00 0.61 C ATOM 112 C ASP A 8 0.289 -10.618 0.787 1.00 0.54 C ATOM 113 O ASP A 8 -0.488 -10.244 1.662 1.00 0.53 O ATOM 114 CB ASP A 8 -0.211 -12.863 -0.228 1.00 0.81 C ATOM 115 CG ASP A 8 -1.025 -13.272 0.968 1.00 1.41 C ATOM 116 OD1 ASP A 8 -2.260 -13.132 0.928 1.00 1.86 O ATOM 117 OD2 ASP A 8 -0.433 -13.704 1.984 1.00 2.14 O ATOM 0 H ASP A 8 1.126 -11.751 -2.014 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.250 -11.039 -0.617 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -0.600 -13.361 -1.116 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.817 -13.202 -0.097 1.00 0.81 H new ATOM 122 N ASP A 9 1.582 -10.366 0.825 1.00 0.55 N ATOM 123 CA ASP A 9 2.198 -9.640 1.946 1.00 0.57 C ATOM 124 C ASP A 9 1.698 -8.211 1.945 1.00 0.50 C ATOM 125 O ASP A 9 1.334 -7.650 2.986 1.00 0.57 O ATOM 126 CB ASP A 9 3.718 -9.589 1.814 1.00 0.65 C ATOM 127 CG ASP A 9 4.381 -10.916 1.690 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.720 -11.535 2.719 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.606 -11.354 0.544 1.00 1.61 O ATOM 0 H ASP A 9 2.238 -10.649 0.097 1.00 0.55 H new ATOM 0 HA ASP A 9 1.931 -10.163 2.864 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.972 -8.989 0.940 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.127 -9.075 2.684 1.00 0.65 H new ATOM 134 N LEU A 10 1.665 -7.636 0.753 1.00 0.43 N ATOM 135 CA LEU A 10 1.210 -6.283 0.555 1.00 0.43 C ATOM 136 C LEU A 10 -0.278 -6.209 0.881 1.00 0.41 C ATOM 137 O LEU A 10 -0.725 -5.280 1.536 1.00 0.47 O ATOM 138 CB LEU A 10 1.463 -5.855 -0.898 1.00 0.46 C ATOM 139 CG LEU A 10 1.243 -4.376 -1.218 1.00 0.57 C ATOM 140 CD1 LEU A 10 2.272 -3.516 -0.500 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.288 -4.135 -2.718 1.00 0.79 C ATOM 0 H LEU A 10 1.957 -8.104 -0.105 1.00 0.43 H new ATOM 0 HA LEU A 10 1.757 -5.607 1.212 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.491 -6.111 -1.156 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.815 -6.445 -1.546 1.00 0.46 H new ATOM 0 HG LEU A 10 0.253 -4.092 -0.862 1.00 0.57 H new ATOM 0 HD11 LEU A 10 2.100 -2.467 -0.740 1.00 0.88 H new ATOM 0 HD12 LEU A 10 2.181 -3.662 0.576 1.00 0.88 H new ATOM 0 HD13 LEU A 10 3.273 -3.802 -0.822 1.00 0.88 H new ATOM 0 HD21 LEU A 10 1.129 -3.076 -2.921 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.261 -4.437 -3.106 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.506 -4.719 -3.204 1.00 0.79 H new ATOM 153 N ARG A 11 -1.015 -7.225 0.435 1.00 0.39 N ATOM 154 CA ARG A 11 -2.450 -7.379 0.695 1.00 0.44 C ATOM 155 C ARG A 11 -2.751 -7.209 2.165 1.00 0.44 C ATOM 156 O ARG A 11 -3.597 -6.406 2.539 1.00 0.48 O ATOM 157 CB ARG A 11 -2.900 -8.760 0.228 1.00 0.52 C ATOM 158 CG ARG A 11 -4.340 -9.121 0.537 1.00 0.70 C ATOM 159 CD ARG A 11 -4.646 -10.512 0.022 1.00 0.85 C ATOM 160 NE ARG A 11 -4.519 -10.581 -1.435 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.936 -11.567 -2.131 1.00 1.67 C ATOM 162 NH1 ARG A 11 -3.325 -12.569 -1.517 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.955 -11.512 -3.456 1.00 2.23 N ATOM 0 H ARG A 11 -0.626 -7.981 -0.129 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.992 -6.609 0.146 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.752 -8.825 -0.850 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.251 -9.507 0.685 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.512 -9.076 1.612 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.012 -8.397 0.076 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -3.967 -11.230 0.483 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.657 -10.796 0.315 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.911 -9.806 -1.970 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -3.293 -12.599 -0.498 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -2.887 -13.311 -2.063 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -4.408 -10.729 -3.927 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.517 -12.253 -4.004 1.00 2.23 H new ATOM 177 N ARG A 12 -2.025 -7.956 2.977 1.00 0.47 N ATOM 178 CA ARG A 12 -2.164 -7.928 4.427 1.00 0.54 C ATOM 179 C ARG A 12 -1.954 -6.527 4.983 1.00 0.54 C ATOM 180 O ARG A 12 -2.756 -6.044 5.773 1.00 0.62 O ATOM 181 CB ARG A 12 -1.191 -8.914 5.061 1.00 0.64 C ATOM 182 CG ARG A 12 -1.484 -10.353 4.690 1.00 1.04 C ATOM 183 CD ARG A 12 -0.409 -11.301 5.177 1.00 1.27 C ATOM 184 NE ARG A 12 -0.213 -11.232 6.628 1.00 1.78 N ATOM 185 CZ ARG A 12 -0.041 -12.284 7.430 1.00 2.34 C ATOM 186 NH1 ARG A 12 -0.228 -13.520 6.979 1.00 2.59 N ATOM 187 NH2 ARG A 12 0.290 -12.090 8.687 1.00 3.25 N ATOM 0 H ARG A 12 -1.313 -8.608 2.647 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.183 -8.225 4.677 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.176 -8.664 4.752 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.230 -8.809 6.145 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.444 -10.647 5.114 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.575 -10.436 3.607 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.675 -12.321 4.898 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.530 -11.068 4.676 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.208 -10.307 7.058 1.00 1.78 H new ATOM 0 HH11 ARG A 12 -0.506 -13.673 6.010 1.00 2.59 H new ATOM 0 HH12 ARG A 12 -0.093 -14.316 7.602 1.00 2.59 H new ATOM 0 HH21 ARG A 12 0.413 -11.142 9.041 1.00 3.25 H new ATOM 0 HH22 ARG A 12 0.424 -12.888 9.308 1.00 3.25 H new ATOM 201 N ALA A 13 -0.912 -5.860 4.518 1.00 0.52 N ATOM 202 CA ALA A 13 -0.600 -4.516 4.977 1.00 0.59 C ATOM 203 C ALA A 13 -1.712 -3.539 4.595 1.00 0.59 C ATOM 204 O ALA A 13 -2.204 -2.779 5.433 1.00 0.69 O ATOM 205 CB ALA A 13 0.738 -4.056 4.411 1.00 0.66 C ATOM 0 H ALA A 13 -0.265 -6.228 3.820 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.526 -4.535 6.064 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.956 -3.048 4.765 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.525 -4.734 4.741 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.692 -4.056 3.322 1.00 0.66 H new ATOM 211 N LEU A 14 -2.124 -3.592 3.344 1.00 0.52 N ATOM 212 CA LEU A 14 -3.160 -2.736 2.824 1.00 0.55 C ATOM 213 C LEU A 14 -4.513 -2.980 3.486 1.00 0.58 C ATOM 214 O LEU A 14 -5.166 -2.026 3.927 1.00 0.68 O ATOM 215 CB LEU A 14 -3.263 -2.932 1.314 1.00 0.52 C ATOM 216 CG LEU A 14 -2.285 -2.148 0.418 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.701 -0.698 0.318 1.00 1.30 C ATOM 218 CD2 LEU A 14 -0.845 -2.219 0.907 1.00 1.05 C ATOM 0 H LEU A 14 -1.741 -4.240 2.656 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.885 -1.706 3.051 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.131 -3.994 1.105 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.277 -2.671 1.011 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.327 -2.621 -0.563 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.998 -0.161 -0.319 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.701 -0.635 -0.111 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.704 -0.251 1.312 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.204 -1.648 0.235 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.781 -1.802 1.912 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.518 -3.258 0.924 1.00 1.05 H new ATOM 230 N VAL A 15 -4.918 -4.240 3.600 1.00 0.57 N ATOM 231 CA VAL A 15 -6.237 -4.571 4.136 1.00 0.66 C ATOM 232 C VAL A 15 -6.368 -4.149 5.606 1.00 0.72 C ATOM 233 O VAL A 15 -7.435 -3.693 6.047 1.00 0.91 O ATOM 234 CB VAL A 15 -6.622 -6.083 3.935 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.761 -7.029 4.757 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.093 -6.318 4.207 1.00 1.01 C ATOM 0 H VAL A 15 -4.356 -5.047 3.330 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.956 -3.994 3.554 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.424 -6.310 2.887 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.075 -8.057 4.576 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.716 -6.912 4.470 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.874 -6.797 5.816 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.326 -7.372 4.059 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.323 -6.036 5.235 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.690 -5.715 3.523 1.00 1.01 H new ATOM 246 N GLU A 16 -5.275 -4.237 6.341 1.00 0.66 N ATOM 247 CA GLU A 16 -5.260 -3.814 7.722 1.00 0.79 C ATOM 248 C GLU A 16 -5.239 -2.302 7.823 1.00 0.83 C ATOM 249 O GLU A 16 -5.884 -1.722 8.695 1.00 0.98 O ATOM 250 CB GLU A 16 -4.068 -4.381 8.454 1.00 0.94 C ATOM 251 CG GLU A 16 -4.092 -5.878 8.641 1.00 1.08 C ATOM 252 CD GLU A 16 -2.872 -6.353 9.368 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.613 -5.864 10.488 1.00 1.49 O ATOM 254 OE2 GLU A 16 -2.135 -7.206 8.838 1.00 1.71 O ATOM 0 H GLU A 16 -4.385 -4.600 6.000 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.171 -4.192 8.186 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.163 -4.112 7.909 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.003 -3.908 9.434 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.984 -6.163 9.198 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.153 -6.368 7.669 1.00 1.08 H new ATOM 261 N SER A 17 -4.548 -1.660 6.903 1.00 0.77 N ATOM 262 CA SER A 17 -4.412 -0.226 6.941 1.00 0.91 C ATOM 263 C SER A 17 -5.661 0.465 6.396 1.00 0.95 C ATOM 264 O SER A 17 -5.825 1.680 6.538 1.00 1.24 O ATOM 265 CB SER A 17 -3.164 0.227 6.188 1.00 0.98 C ATOM 266 OG SER A 17 -2.929 1.608 6.408 1.00 1.24 O ATOM 0 H SER A 17 -4.073 -2.112 6.122 1.00 0.77 H new ATOM 0 HA SER A 17 -4.300 0.067 7.985 1.00 0.91 H new ATOM 0 HB2 SER A 17 -2.302 -0.352 6.518 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.286 0.038 5.122 1.00 0.98 H new ATOM 0 HG SER A 17 -3.785 2.085 6.439 1.00 1.24 H new ATOM 272 N ALA A 18 -6.533 -0.301 5.769 1.00 0.83 N ATOM 273 CA ALA A 18 -7.808 0.224 5.327 1.00 0.94 C ATOM 274 C ALA A 18 -8.699 0.360 6.543 1.00 1.41 C ATOM 275 O ALA A 18 -9.558 1.253 6.618 1.00 2.05 O ATOM 276 CB ALA A 18 -8.445 -0.707 4.306 1.00 1.05 C ATOM 0 H ALA A 18 -6.381 -1.287 5.555 1.00 0.83 H new ATOM 0 HA ALA A 18 -7.669 1.193 4.848 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.402 -0.296 3.986 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.786 -0.807 3.443 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.604 -1.687 4.756 1.00 1.05 H new ATOM 393 N GLY A 28 -7.893 -10.321 -1.886 1.00 0.95 N ATOM 394 CA GLY A 28 -7.963 -10.788 -3.233 1.00 1.09 C ATOM 395 C GLY A 28 -6.942 -10.046 -4.036 1.00 0.84 C ATOM 396 O GLY A 28 -6.016 -9.451 -3.449 1.00 1.04 O ATOM 0 HA2 GLY A 28 -7.774 -11.861 -3.274 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.960 -10.625 -3.641 1.00 1.09 H new ATOM 400 N ASP A 29 -7.058 -10.045 -5.328 1.00 0.80 N ATOM 401 CA ASP A 29 -6.115 -9.305 -6.132 1.00 0.86 C ATOM 402 C ASP A 29 -6.509 -7.868 -6.213 1.00 0.77 C ATOM 403 O ASP A 29 -7.684 -7.537 -6.420 1.00 1.01 O ATOM 404 CB ASP A 29 -5.847 -9.926 -7.498 1.00 1.28 C ATOM 405 CG ASP A 29 -4.942 -11.130 -7.390 1.00 1.96 C ATOM 406 OD1 ASP A 29 -3.708 -10.958 -7.247 1.00 2.61 O ATOM 407 OD2 ASP A 29 -5.434 -12.258 -7.405 1.00 2.38 O ATOM 0 H ASP A 29 -7.783 -10.538 -5.849 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.153 -9.361 -5.622 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -6.791 -10.219 -7.957 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -5.391 -9.184 -8.153 1.00 1.28 H new ATOM 412 N PHE A 30 -5.536 -7.019 -6.026 1.00 0.58 N ATOM 413 CA PHE A 30 -5.781 -5.603 -5.874 1.00 0.52 C ATOM 414 C PHE A 30 -4.654 -4.778 -6.491 1.00 0.46 C ATOM 415 O PHE A 30 -4.773 -3.575 -6.613 1.00 0.44 O ATOM 416 CB PHE A 30 -5.883 -5.275 -4.366 1.00 0.56 C ATOM 417 CG PHE A 30 -4.572 -5.427 -3.619 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.040 -6.680 -3.351 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.870 -4.308 -3.203 1.00 0.73 C ATOM 420 CE1 PHE A 30 -2.841 -6.807 -2.697 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.671 -4.435 -2.542 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.155 -5.685 -2.292 1.00 0.89 C ATOM 0 H PHE A 30 -4.552 -7.284 -5.974 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.709 -5.352 -6.388 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.241 -4.252 -4.249 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.628 -5.928 -3.911 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.576 -7.565 -3.661 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.269 -3.324 -3.400 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.435 -7.788 -2.500 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.135 -3.554 -2.220 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.211 -5.786 -1.778 1.00 0.89 H new ATOM 432 N LEU A 31 -3.552 -5.443 -6.852 1.00 0.48 N ATOM 433 CA LEU A 31 -2.345 -4.801 -7.377 1.00 0.49 C ATOM 434 C LEU A 31 -2.644 -3.852 -8.557 1.00 0.43 C ATOM 435 O LEU A 31 -2.018 -2.795 -8.696 1.00 0.46 O ATOM 436 CB LEU A 31 -1.345 -5.879 -7.809 1.00 0.62 C ATOM 437 CG LEU A 31 0.069 -5.406 -8.091 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.737 -4.937 -6.808 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.886 -6.496 -8.763 1.00 1.53 C ATOM 0 H LEU A 31 -3.473 -6.458 -6.786 1.00 0.48 H new ATOM 0 HA LEU A 31 -1.921 -4.190 -6.580 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.303 -6.640 -7.029 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -1.730 -6.363 -8.706 1.00 0.62 H new ATOM 0 HG LEU A 31 0.016 -4.562 -8.779 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.750 -4.601 -7.027 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.166 -4.113 -6.381 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.774 -5.761 -6.095 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.895 -6.130 -8.953 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.934 -7.369 -8.112 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.416 -6.773 -9.707 1.00 1.53 H new ATOM 451 N ASP A 32 -3.604 -4.241 -9.372 1.00 0.43 N ATOM 452 CA ASP A 32 -3.991 -3.504 -10.572 1.00 0.49 C ATOM 453 C ASP A 32 -5.241 -2.648 -10.335 1.00 0.41 C ATOM 454 O ASP A 32 -5.744 -1.986 -11.257 1.00 0.51 O ATOM 455 CB ASP A 32 -4.261 -4.500 -11.708 1.00 0.68 C ATOM 456 CG ASP A 32 -5.410 -5.449 -11.408 1.00 1.43 C ATOM 457 OD1 ASP A 32 -5.270 -6.318 -10.512 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.482 -5.329 -12.048 1.00 1.99 O ATOM 0 H ASP A 32 -4.149 -5.090 -9.222 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.174 -2.834 -10.838 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -4.482 -3.949 -12.622 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -3.358 -5.080 -11.897 1.00 0.68 H new ATOM 463 N LEU A 33 -5.739 -2.669 -9.125 1.00 0.36 N ATOM 464 CA LEU A 33 -6.930 -1.921 -8.754 1.00 0.35 C ATOM 465 C LEU A 33 -6.570 -0.515 -8.298 1.00 0.32 C ATOM 466 O LEU A 33 -5.530 -0.302 -7.693 1.00 0.38 O ATOM 467 CB LEU A 33 -7.751 -2.663 -7.677 1.00 0.46 C ATOM 468 CG LEU A 33 -8.666 -3.829 -8.145 1.00 0.70 C ATOM 469 CD1 LEU A 33 -7.913 -4.913 -8.896 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.384 -4.430 -6.960 1.00 1.56 C ATOM 0 H LEU A 33 -5.333 -3.207 -8.359 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.557 -1.837 -9.642 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.055 -3.059 -6.937 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.376 -1.930 -7.167 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.386 -3.402 -8.843 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.608 -5.698 -9.195 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.446 -4.484 -9.783 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.144 -5.336 -8.250 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.023 -5.246 -7.297 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -8.653 -4.812 -6.247 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -9.995 -3.666 -6.479 1.00 1.56 H new ATOM 482 N ARG A 34 -7.415 0.432 -8.613 1.00 0.39 N ATOM 483 CA ARG A 34 -7.178 1.826 -8.259 1.00 0.49 C ATOM 484 C ARG A 34 -7.582 2.063 -6.800 1.00 0.45 C ATOM 485 O ARG A 34 -8.651 1.617 -6.383 1.00 0.50 O ATOM 486 CB ARG A 34 -7.999 2.755 -9.164 1.00 0.73 C ATOM 487 CG ARG A 34 -7.874 2.471 -10.653 1.00 0.89 C ATOM 488 CD ARG A 34 -6.456 2.628 -11.187 1.00 0.95 C ATOM 489 NE ARG A 34 -6.393 2.280 -12.617 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.416 2.616 -13.475 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.422 3.404 -13.100 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.450 2.174 -14.726 1.00 3.48 N ATOM 0 H ARG A 34 -8.285 0.270 -9.120 1.00 0.39 H new ATOM 0 HA ARG A 34 -6.118 2.043 -8.391 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -9.049 2.679 -8.881 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.692 3.784 -8.978 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.217 1.456 -10.851 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.536 3.143 -11.199 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.120 3.655 -11.043 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.777 1.989 -10.622 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.166 1.731 -12.992 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.390 3.766 -12.147 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.688 3.650 -13.764 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.218 1.579 -15.036 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.708 2.429 -15.377 1.00 3.48 H new ATOM 506 N PHE A 35 -6.741 2.750 -6.033 1.00 0.43 N ATOM 507 CA PHE A 35 -7.055 3.099 -4.630 1.00 0.43 C ATOM 508 C PHE A 35 -8.417 3.780 -4.477 1.00 0.48 C ATOM 509 O PHE A 35 -9.205 3.414 -3.598 1.00 0.52 O ATOM 510 CB PHE A 35 -5.958 3.942 -3.987 1.00 0.44 C ATOM 511 CG PHE A 35 -4.717 3.167 -3.691 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.668 2.330 -2.591 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.609 3.269 -4.495 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.535 1.610 -2.303 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.472 2.552 -4.212 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.432 1.719 -3.117 1.00 0.60 C ATOM 0 H PHE A 35 -5.830 3.082 -6.351 1.00 0.43 H new ATOM 0 HA PHE A 35 -7.107 2.149 -4.098 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.711 4.772 -4.650 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.337 4.375 -3.062 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.533 2.242 -1.950 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.631 3.919 -5.358 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.510 0.961 -1.440 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.606 2.642 -4.851 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.538 1.153 -2.898 1.00 0.60 H new ATOM 526 N GLU A 36 -8.694 4.751 -5.345 1.00 0.53 N ATOM 527 CA GLU A 36 -9.974 5.482 -5.335 1.00 0.67 C ATOM 528 C GLU A 36 -11.177 4.534 -5.503 1.00 0.73 C ATOM 529 O GLU A 36 -12.258 4.782 -4.983 1.00 0.87 O ATOM 530 CB GLU A 36 -10.004 6.564 -6.427 1.00 0.75 C ATOM 531 CG GLU A 36 -9.880 6.026 -7.845 1.00 1.26 C ATOM 532 CD GLU A 36 -9.993 7.101 -8.886 1.00 1.59 C ATOM 533 OE1 GLU A 36 -11.128 7.443 -9.289 1.00 2.04 O ATOM 534 OE2 GLU A 36 -8.956 7.607 -9.344 1.00 1.90 O ATOM 0 H GLU A 36 -8.048 5.057 -6.072 1.00 0.53 H new ATOM 0 HA GLU A 36 -10.054 5.963 -4.360 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.936 7.123 -6.343 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.193 7.269 -6.246 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.921 5.520 -7.954 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.656 5.279 -8.015 1.00 1.26 H new ATOM 541 N ASP A 37 -10.944 3.434 -6.186 1.00 0.70 N ATOM 542 CA ASP A 37 -11.980 2.470 -6.513 1.00 0.83 C ATOM 543 C ASP A 37 -12.176 1.478 -5.388 1.00 0.82 C ATOM 544 O ASP A 37 -13.295 1.042 -5.117 1.00 0.98 O ATOM 545 CB ASP A 37 -11.597 1.737 -7.806 1.00 0.94 C ATOM 546 CG ASP A 37 -12.491 0.560 -8.141 1.00 1.41 C ATOM 547 OD1 ASP A 37 -13.595 0.770 -8.681 1.00 1.71 O ATOM 548 OD2 ASP A 37 -12.081 -0.603 -7.914 1.00 2.12 O ATOM 0 H ASP A 37 -10.020 3.178 -6.535 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.921 3.001 -6.656 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.623 2.446 -8.634 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.569 1.385 -7.720 1.00 0.94 H new ATOM 553 N ILE A 38 -11.110 1.175 -4.686 1.00 0.68 N ATOM 554 CA ILE A 38 -11.160 0.175 -3.631 1.00 0.70 C ATOM 555 C ILE A 38 -11.382 0.776 -2.248 1.00 0.72 C ATOM 556 O ILE A 38 -11.152 0.127 -1.233 1.00 0.82 O ATOM 557 CB ILE A 38 -9.931 -0.772 -3.645 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.612 0.019 -3.558 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.966 -1.627 -4.892 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.353 -0.837 -3.568 1.00 0.75 C ATOM 0 H ILE A 38 -10.194 1.603 -4.822 1.00 0.68 H new ATOM 0 HA ILE A 38 -12.037 -0.432 -3.854 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.978 -1.417 -2.768 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.567 0.716 -4.394 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.622 0.616 -2.646 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -9.102 -2.292 -4.901 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.881 -2.220 -4.901 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.940 -0.986 -5.773 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.475 -0.194 -3.503 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.368 -1.517 -2.716 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.313 -1.414 -4.492 1.00 0.75 H new ATOM 572 N GLY A 39 -11.913 1.985 -2.230 1.00 0.75 N ATOM 573 CA GLY A 39 -12.280 2.639 -0.988 1.00 0.87 C ATOM 574 C GLY A 39 -11.101 3.117 -0.169 1.00 0.68 C ATOM 575 O GLY A 39 -11.114 3.017 1.055 1.00 0.76 O ATOM 0 H GLY A 39 -12.100 2.536 -3.067 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.921 3.491 -1.214 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.870 1.948 -0.386 1.00 0.87 H new ATOM 579 N TYR A 40 -10.085 3.621 -0.819 1.00 0.55 N ATOM 580 CA TYR A 40 -8.936 4.149 -0.111 1.00 0.52 C ATOM 581 C TYR A 40 -8.866 5.641 -0.176 1.00 0.56 C ATOM 582 O TYR A 40 -8.763 6.230 -1.264 1.00 0.71 O ATOM 583 CB TYR A 40 -7.624 3.555 -0.607 1.00 0.60 C ATOM 584 CG TYR A 40 -7.299 2.212 -0.032 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.063 1.109 -0.367 1.00 0.75 C ATOM 586 CD2 TYR A 40 -6.237 2.037 0.829 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.780 -0.128 0.145 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.942 0.804 1.347 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.685 -0.250 1.048 1.00 0.93 C ATOM 590 OH TYR A 40 -6.421 -1.500 1.523 1.00 1.21 O ATOM 0 H TYR A 40 -10.024 3.680 -1.836 1.00 0.55 H new ATOM 0 HA TYR A 40 -9.076 3.854 0.929 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.664 3.472 -1.693 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.814 4.245 -0.370 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.897 1.226 -1.044 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.627 2.886 1.100 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -8.371 -0.989 -0.128 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -5.094 0.690 2.006 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.002 -1.433 2.406 1.00 1.21 H new ATOM 600 N ASP A 41 -8.937 6.253 0.975 1.00 0.58 N ATOM 601 CA ASP A 41 -8.759 7.681 1.092 1.00 0.77 C ATOM 602 C ASP A 41 -7.292 7.958 1.250 1.00 0.91 C ATOM 603 O ASP A 41 -6.513 7.053 1.620 1.00 1.78 O ATOM 604 CB ASP A 41 -9.481 8.265 2.320 1.00 0.86 C ATOM 605 CG ASP A 41 -10.980 8.139 2.292 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.511 7.105 2.760 1.00 2.34 O ATOM 607 OD2 ASP A 41 -11.659 9.082 1.831 1.00 2.07 O ATOM 0 H ASP A 41 -9.120 5.779 1.860 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.178 8.143 0.198 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.106 7.768 3.215 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.221 9.320 2.409 1.00 0.86 H new ATOM 612 N SER A 42 -6.916 9.180 0.977 1.00 0.59 N ATOM 613 CA SER A 42 -5.562 9.681 1.141 1.00 0.58 C ATOM 614 C SER A 42 -5.026 9.363 2.554 1.00 0.51 C ATOM 615 O SER A 42 -3.860 8.996 2.730 1.00 0.51 O ATOM 616 CB SER A 42 -5.614 11.176 0.933 1.00 0.71 C ATOM 617 OG SER A 42 -6.673 11.700 1.815 1.00 0.97 O ATOM 0 H SER A 42 -7.562 9.885 0.621 1.00 0.59 H new ATOM 0 HA SER A 42 -4.893 9.206 0.423 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.653 11.632 1.172 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.829 11.413 -0.109 1.00 0.71 H new ATOM 0 HG SER A 42 -6.736 12.672 1.709 1.00 0.97 H new ATOM 622 N LEU A 43 -5.910 9.497 3.543 1.00 0.48 N ATOM 623 CA LEU A 43 -5.592 9.227 4.934 1.00 0.51 C ATOM 624 C LEU A 43 -5.146 7.781 5.126 1.00 0.46 C ATOM 625 O LEU A 43 -4.052 7.535 5.597 1.00 0.50 O ATOM 626 CB LEU A 43 -6.784 9.520 5.832 1.00 0.60 C ATOM 627 CG LEU A 43 -6.536 9.322 7.328 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.530 10.335 7.856 1.00 1.40 C ATOM 629 CD2 LEU A 43 -7.827 9.395 8.093 1.00 1.64 C ATOM 0 H LEU A 43 -6.873 9.799 3.394 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.770 9.886 5.214 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.100 10.550 5.665 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.613 8.880 5.529 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.111 8.328 7.472 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.373 10.170 8.922 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -4.584 10.217 7.328 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.912 11.344 7.697 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -7.629 9.252 9.155 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -8.287 10.371 7.938 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -8.503 8.615 7.741 1.00 1.64 H new ATOM 641 N ALA A 44 -5.974 6.833 4.707 1.00 0.44 N ATOM 642 CA ALA A 44 -5.657 5.409 4.862 1.00 0.45 C ATOM 643 C ALA A 44 -4.428 5.043 4.060 1.00 0.41 C ATOM 644 O ALA A 44 -3.652 4.168 4.452 1.00 0.47 O ATOM 645 CB ALA A 44 -6.828 4.542 4.440 1.00 0.51 C ATOM 0 H ALA A 44 -6.870 7.018 4.257 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.454 5.228 5.918 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.566 3.491 4.565 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.695 4.776 5.058 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.065 4.735 3.394 1.00 0.51 H new ATOM 651 N LEU A 45 -4.238 5.723 2.956 1.00 0.39 N ATOM 652 CA LEU A 45 -3.098 5.505 2.109 1.00 0.42 C ATOM 653 C LEU A 45 -1.809 5.988 2.796 1.00 0.41 C ATOM 654 O LEU A 45 -0.781 5.307 2.744 1.00 0.44 O ATOM 655 CB LEU A 45 -3.320 6.187 0.763 1.00 0.50 C ATOM 656 CG LEU A 45 -2.234 6.009 -0.294 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.987 4.531 -0.575 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.661 6.712 -1.555 1.00 0.90 C ATOM 0 H LEU A 45 -4.875 6.446 2.621 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.980 4.436 1.929 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.259 5.820 0.349 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.446 7.255 0.942 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.303 6.440 0.074 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.209 4.430 -1.332 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.669 4.035 0.342 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.907 4.071 -0.936 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.891 6.591 -2.317 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.597 6.282 -1.912 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.804 7.773 -1.349 1.00 0.90 H new ATOM 670 N MET A 46 -1.879 7.125 3.483 1.00 0.42 N ATOM 671 CA MET A 46 -0.711 7.634 4.205 1.00 0.48 C ATOM 672 C MET A 46 -0.440 6.732 5.411 1.00 0.46 C ATOM 673 O MET A 46 0.708 6.483 5.767 1.00 0.53 O ATOM 674 CB MET A 46 -0.879 9.135 4.616 1.00 0.57 C ATOM 675 CG MET A 46 -1.701 9.428 5.879 1.00 0.58 C ATOM 676 SD MET A 46 -0.761 9.208 7.417 1.00 1.46 S ATOM 677 CE MET A 46 -2.000 9.592 8.648 1.00 1.78 C ATOM 0 H MET A 46 -2.715 7.704 3.557 1.00 0.42 H new ATOM 0 HA MET A 46 0.154 7.608 3.542 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.115 9.561 4.753 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.340 9.664 3.782 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.073 10.451 5.832 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.572 8.773 5.897 1.00 0.58 H new ATOM 0 HE1 MET A 46 -1.565 9.498 9.643 1.00 1.78 H new ATOM 0 HE2 MET A 46 -2.355 10.612 8.501 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.836 8.900 8.551 1.00 1.78 H new ATOM 687 N GLU A 47 -1.524 6.206 6.007 1.00 0.44 N ATOM 688 CA GLU A 47 -1.423 5.265 7.116 1.00 0.49 C ATOM 689 C GLU A 47 -0.717 3.995 6.645 1.00 0.47 C ATOM 690 O GLU A 47 0.076 3.394 7.382 1.00 0.51 O ATOM 691 CB GLU A 47 -2.811 4.930 7.676 1.00 0.54 C ATOM 692 CG GLU A 47 -3.549 6.102 8.305 1.00 0.78 C ATOM 693 CD GLU A 47 -4.892 5.703 8.877 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.853 5.504 8.097 1.00 1.88 O ATOM 695 OE2 GLU A 47 -5.026 5.586 10.099 1.00 1.03 O ATOM 0 H GLU A 47 -2.482 6.424 5.731 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.841 5.724 7.915 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.423 4.524 6.871 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.705 4.143 8.423 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.934 6.532 9.096 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.694 6.880 7.556 1.00 0.78 H new ATOM 702 N THR A 48 -0.996 3.618 5.402 1.00 0.45 N ATOM 703 CA THR A 48 -0.361 2.486 4.766 1.00 0.48 C ATOM 704 C THR A 48 1.136 2.758 4.686 1.00 0.44 C ATOM 705 O THR A 48 1.944 1.967 5.179 1.00 0.46 O ATOM 706 CB THR A 48 -0.936 2.268 3.338 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.362 2.077 3.400 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.297 1.057 2.674 1.00 0.65 C ATOM 0 H THR A 48 -1.674 4.097 4.810 1.00 0.45 H new ATOM 0 HA THR A 48 -0.551 1.585 5.349 1.00 0.48 H new ATOM 0 HB THR A 48 -0.710 3.155 2.747 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.803 2.943 3.531 1.00 0.63 H new ATOM 0 HG21 THR A 48 -0.716 0.926 1.676 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.780 1.209 2.598 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.496 0.167 3.271 1.00 0.65 H new ATOM 716 N ALA A 49 1.485 3.904 4.093 1.00 0.45 N ATOM 717 CA ALA A 49 2.868 4.324 3.926 1.00 0.48 C ATOM 718 C ALA A 49 3.611 4.342 5.272 1.00 0.44 C ATOM 719 O ALA A 49 4.736 3.838 5.378 1.00 0.45 O ATOM 720 CB ALA A 49 2.924 5.696 3.264 1.00 0.57 C ATOM 0 H ALA A 49 0.807 4.566 3.715 1.00 0.45 H new ATOM 0 HA ALA A 49 3.368 3.601 3.281 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.964 6.000 3.144 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.445 5.648 2.286 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.403 6.422 3.888 1.00 0.57 H new ATOM 726 N ALA A 50 2.956 4.882 6.292 1.00 0.44 N ATOM 727 CA ALA A 50 3.503 4.942 7.642 1.00 0.46 C ATOM 728 C ALA A 50 3.846 3.545 8.171 1.00 0.44 C ATOM 729 O ALA A 50 4.946 3.328 8.709 1.00 0.44 O ATOM 730 CB ALA A 50 2.526 5.637 8.575 1.00 0.56 C ATOM 0 H ALA A 50 2.026 5.293 6.206 1.00 0.44 H new ATOM 0 HA ALA A 50 4.427 5.518 7.603 1.00 0.46 H new ATOM 0 HB1 ALA A 50 2.947 5.675 9.580 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.342 6.651 8.220 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.587 5.084 8.596 1.00 0.56 H new ATOM 736 N ARG A 51 2.916 2.602 7.994 1.00 0.46 N ATOM 737 CA ARG A 51 3.107 1.209 8.423 1.00 0.48 C ATOM 738 C ARG A 51 4.259 0.549 7.657 1.00 0.46 C ATOM 739 O ARG A 51 5.012 -0.260 8.208 1.00 0.49 O ATOM 740 CB ARG A 51 1.799 0.404 8.257 1.00 0.54 C ATOM 741 CG ARG A 51 1.950 -1.102 8.474 1.00 0.78 C ATOM 742 CD ARG A 51 0.622 -1.826 8.360 1.00 0.80 C ATOM 743 NE ARG A 51 0.792 -3.289 8.316 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.048 -4.184 8.853 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.018 -3.795 9.671 1.00 1.80 N ATOM 746 NH2 ARG A 51 0.114 -5.477 8.583 1.00 3.14 N ATOM 0 H ARG A 51 2.014 2.779 7.552 1.00 0.46 H new ATOM 0 HA ARG A 51 3.372 1.214 9.480 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.060 0.787 8.960 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.406 0.576 7.255 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.648 -1.506 7.741 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.380 -1.286 9.459 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.010 -1.560 9.207 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.104 -1.494 7.460 1.00 0.80 H new ATOM 0 HE ARG A 51 1.617 -3.650 7.837 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.129 -2.806 9.896 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -1.652 -4.485 10.074 1.00 1.80 H new ATOM 0 HH21 ARG A 51 0.873 -5.779 7.972 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -0.520 -6.166 8.987 1.00 3.14 H new ATOM 760 N LEU A 52 4.395 0.904 6.398 1.00 0.44 N ATOM 761 CA LEU A 52 5.463 0.380 5.565 1.00 0.46 C ATOM 762 C LEU A 52 6.806 0.824 6.125 1.00 0.38 C ATOM 763 O LEU A 52 7.719 0.007 6.321 1.00 0.40 O ATOM 764 CB LEU A 52 5.322 0.893 4.136 1.00 0.55 C ATOM 765 CG LEU A 52 3.990 0.625 3.444 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.958 1.319 2.117 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.744 -0.863 3.263 1.00 0.80 C ATOM 0 H LEU A 52 3.775 1.559 5.922 1.00 0.44 H new ATOM 0 HA LEU A 52 5.403 -0.708 5.560 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.493 1.970 4.142 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.114 0.448 3.534 1.00 0.55 H new ATOM 0 HG LEU A 52 3.195 1.017 4.079 1.00 0.70 H new ATOM 0 HD11 LEU A 52 3.004 1.124 1.627 1.00 0.83 H new ATOM 0 HD12 LEU A 52 4.077 2.392 2.265 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.770 0.947 1.492 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.786 -1.016 2.767 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.540 -1.292 2.655 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.729 -1.351 4.238 1.00 0.80 H new ATOM 779 N GLU A 53 6.903 2.111 6.414 1.00 0.35 N ATOM 780 CA GLU A 53 8.116 2.698 6.940 1.00 0.33 C ATOM 781 C GLU A 53 8.512 2.092 8.277 1.00 0.34 C ATOM 782 O GLU A 53 9.680 1.746 8.481 1.00 0.41 O ATOM 783 CB GLU A 53 7.997 4.213 7.059 1.00 0.34 C ATOM 784 CG GLU A 53 7.782 4.916 5.735 1.00 0.35 C ATOM 785 CD GLU A 53 7.842 6.411 5.865 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.840 7.013 6.282 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.869 7.015 5.537 1.00 0.49 O ATOM 0 H GLU A 53 6.140 2.776 6.289 1.00 0.35 H new ATOM 0 HA GLU A 53 8.906 2.470 6.225 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.168 4.452 7.725 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.902 4.604 7.524 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.539 4.585 5.024 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.813 4.628 5.327 1.00 0.35 H new ATOM 794 N SER A 54 7.557 1.959 9.172 1.00 0.36 N ATOM 795 CA SER A 54 7.820 1.410 10.482 1.00 0.43 C ATOM 796 C SER A 54 8.224 -0.071 10.427 1.00 0.42 C ATOM 797 O SER A 54 9.314 -0.450 10.872 1.00 0.48 O ATOM 798 CB SER A 54 6.617 1.646 11.406 1.00 0.55 C ATOM 799 OG SER A 54 5.394 1.234 10.799 1.00 1.22 O ATOM 0 H SER A 54 6.585 2.226 9.013 1.00 0.36 H new ATOM 0 HA SER A 54 8.679 1.936 10.899 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.762 1.100 12.338 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.557 2.704 11.662 1.00 0.55 H new ATOM 0 HG SER A 54 5.078 1.935 10.191 1.00 1.22 H new ATOM 805 N ARG A 55 7.368 -0.880 9.842 1.00 0.44 N ATOM 806 CA ARG A 55 7.551 -2.321 9.809 1.00 0.51 C ATOM 807 C ARG A 55 8.736 -2.763 8.942 1.00 0.56 C ATOM 808 O ARG A 55 9.531 -3.612 9.352 1.00 0.64 O ATOM 809 CB ARG A 55 6.258 -2.996 9.350 1.00 0.60 C ATOM 810 CG ARG A 55 6.275 -4.515 9.363 1.00 0.77 C ATOM 811 CD ARG A 55 4.907 -5.046 9.001 1.00 0.95 C ATOM 812 NE ARG A 55 4.828 -6.505 9.025 1.00 1.51 N ATOM 813 CZ ARG A 55 3.897 -7.215 9.677 1.00 1.97 C ATOM 814 NH1 ARG A 55 3.015 -6.609 10.474 1.00 1.87 N ATOM 815 NH2 ARG A 55 3.858 -8.532 9.530 1.00 2.88 N ATOM 0 H ARG A 55 6.521 -0.559 9.373 1.00 0.44 H new ATOM 0 HA ARG A 55 7.790 -2.637 10.824 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.443 -2.653 9.988 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.033 -2.661 8.338 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.018 -4.885 8.656 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.566 -4.876 10.349 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.171 -4.638 9.694 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.639 -4.691 8.006 1.00 0.95 H new ATOM 0 HE ARG A 55 5.536 -7.023 8.505 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.045 -5.596 10.591 1.00 1.87 H new ATOM 0 HH12 ARG A 55 2.310 -7.159 10.966 1.00 1.87 H new ATOM 0 HH21 ARG A 55 4.534 -8.998 8.924 1.00 2.88 H new ATOM 0 HH22 ARG A 55 3.152 -9.079 10.023 1.00 2.88 H new ATOM 829 N TYR A 56 8.886 -2.176 7.769 1.00 0.56 N ATOM 830 CA TYR A 56 9.908 -2.655 6.837 1.00 0.67 C ATOM 831 C TYR A 56 11.200 -1.849 6.927 1.00 0.70 C ATOM 832 O TYR A 56 12.158 -2.114 6.194 1.00 0.86 O ATOM 833 CB TYR A 56 9.367 -2.683 5.397 1.00 0.75 C ATOM 834 CG TYR A 56 8.031 -3.394 5.273 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.863 -4.706 5.701 1.00 1.09 C ATOM 836 CD2 TYR A 56 6.926 -2.730 4.769 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.629 -5.329 5.615 1.00 1.24 C ATOM 838 CE2 TYR A 56 5.697 -3.342 4.687 1.00 0.96 C ATOM 839 CZ TYR A 56 5.550 -4.636 5.108 1.00 1.17 C ATOM 840 OH TYR A 56 4.306 -5.239 5.040 1.00 1.33 O ATOM 0 H TYR A 56 8.332 -1.386 7.438 1.00 0.56 H new ATOM 0 HA TYR A 56 10.155 -3.675 7.130 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.262 -1.660 5.036 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.095 -3.176 4.752 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.706 -5.247 6.106 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.031 -1.709 4.433 1.00 0.82 H new ATOM 0 HE1 TYR A 56 6.513 -6.351 5.943 1.00 1.24 H new ATOM 0 HE2 TYR A 56 4.849 -2.802 4.291 1.00 0.96 H new ATOM 0 HH TYR A 56 4.220 -5.894 5.764 1.00 1.33 H new ATOM 850 N GLY A 57 11.224 -0.875 7.831 1.00 0.61 N ATOM 851 CA GLY A 57 12.418 -0.068 8.055 1.00 0.68 C ATOM 852 C GLY A 57 12.808 0.759 6.842 1.00 0.72 C ATOM 853 O GLY A 57 13.974 0.752 6.411 1.00 0.91 O ATOM 0 H GLY A 57 10.430 -0.625 8.420 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.248 0.596 8.902 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.247 -0.722 8.325 1.00 0.68 H new ATOM 857 N VAL A 58 11.852 1.476 6.298 1.00 0.62 N ATOM 858 CA VAL A 58 12.083 2.284 5.114 1.00 0.65 C ATOM 859 C VAL A 58 11.694 3.736 5.352 1.00 0.57 C ATOM 860 O VAL A 58 11.161 4.076 6.416 1.00 0.50 O ATOM 861 CB VAL A 58 11.379 1.741 3.824 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.900 0.364 3.448 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.865 1.706 3.988 1.00 0.57 C ATOM 0 H VAL A 58 10.898 1.519 6.657 1.00 0.62 H new ATOM 0 HA VAL A 58 13.155 2.221 4.930 1.00 0.65 H new ATOM 0 HB VAL A 58 11.618 2.431 3.015 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.392 0.016 2.549 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.972 0.420 3.260 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.711 -0.332 4.265 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.409 1.324 3.075 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.604 1.056 4.823 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.497 2.713 4.184 1.00 0.57 H new ATOM 873 N SER A 59 11.990 4.570 4.403 1.00 0.63 N ATOM 874 CA SER A 59 11.653 5.961 4.437 1.00 0.63 C ATOM 875 C SER A 59 11.136 6.365 3.061 1.00 0.62 C ATOM 876 O SER A 59 11.874 6.346 2.072 1.00 0.73 O ATOM 877 CB SER A 59 12.885 6.783 4.832 1.00 0.83 C ATOM 878 OG SER A 59 13.407 6.345 6.097 1.00 1.41 O ATOM 0 H SER A 59 12.488 4.293 3.557 1.00 0.63 H new ATOM 0 HA SER A 59 10.877 6.150 5.179 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.653 6.688 4.064 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.620 7.839 4.889 1.00 0.83 H new ATOM 0 HG SER A 59 14.194 6.881 6.330 1.00 1.41 H new ATOM 884 N ILE A 60 9.879 6.688 3.006 1.00 0.52 N ATOM 885 CA ILE A 60 9.211 6.993 1.765 1.00 0.53 C ATOM 886 C ILE A 60 9.265 8.490 1.470 1.00 0.59 C ATOM 887 O ILE A 60 8.914 9.307 2.319 1.00 0.67 O ATOM 888 CB ILE A 60 7.732 6.503 1.807 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.690 4.975 1.994 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.970 6.917 0.546 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.296 4.399 2.118 1.00 0.55 C ATOM 0 H ILE A 60 9.277 6.749 3.827 1.00 0.52 H new ATOM 0 HA ILE A 60 9.731 6.468 0.963 1.00 0.53 H new ATOM 0 HB ILE A 60 7.239 6.977 2.656 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.191 4.504 1.148 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.258 4.715 2.887 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.942 6.559 0.608 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.972 8.004 0.460 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.453 6.483 -0.330 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.359 3.318 2.247 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.796 4.839 2.981 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.728 4.624 1.216 1.00 0.55 H new ATOM 903 N PRO A 61 9.755 8.871 0.281 1.00 0.62 N ATOM 904 CA PRO A 61 9.776 10.265 -0.148 1.00 0.71 C ATOM 905 C PRO A 61 8.349 10.778 -0.393 1.00 0.65 C ATOM 906 O PRO A 61 7.521 10.079 -1.006 1.00 0.57 O ATOM 907 CB PRO A 61 10.577 10.235 -1.460 1.00 0.78 C ATOM 908 CG PRO A 61 11.253 8.907 -1.478 1.00 0.77 C ATOM 909 CD PRO A 61 10.358 7.983 -0.721 1.00 0.64 C ATOM 0 HA PRO A 61 10.214 10.930 0.597 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.922 10.355 -2.323 1.00 0.78 H new ATOM 0 HB3 PRO A 61 11.304 11.047 -1.496 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.401 8.558 -2.500 1.00 0.77 H new ATOM 0 HG3 PRO A 61 12.238 8.964 -1.015 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.605 7.529 -1.366 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.915 7.168 -0.258 1.00 0.64 H new ATOM 917 N ASP A 62 8.081 11.991 0.063 1.00 0.75 N ATOM 918 CA ASP A 62 6.741 12.617 0.004 1.00 0.78 C ATOM 919 C ASP A 62 6.181 12.662 -1.406 1.00 0.68 C ATOM 920 O ASP A 62 5.020 12.300 -1.638 1.00 0.67 O ATOM 921 CB ASP A 62 6.748 14.057 0.568 1.00 0.99 C ATOM 922 CG ASP A 62 7.010 14.160 2.055 1.00 1.34 C ATOM 923 OD1 ASP A 62 6.070 14.004 2.849 1.00 2.03 O ATOM 924 OD2 ASP A 62 8.166 14.442 2.457 1.00 1.88 O ATOM 0 H ASP A 62 8.787 12.588 0.493 1.00 0.75 H new ATOM 0 HA ASP A 62 6.104 11.984 0.622 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.507 14.634 0.040 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.786 14.521 0.351 1.00 0.99 H new ATOM 929 N ASP A 63 7.007 13.048 -2.353 1.00 0.67 N ATOM 930 CA ASP A 63 6.555 13.238 -3.734 1.00 0.67 C ATOM 931 C ASP A 63 6.319 11.890 -4.405 1.00 0.58 C ATOM 932 O ASP A 63 5.495 11.762 -5.313 1.00 0.60 O ATOM 933 CB ASP A 63 7.579 14.066 -4.514 1.00 0.85 C ATOM 934 CG ASP A 63 7.082 14.523 -5.861 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.222 15.428 -5.903 1.00 1.95 O ATOM 936 OD2 ASP A 63 7.557 14.018 -6.897 1.00 2.23 O ATOM 0 H ASP A 63 7.998 13.239 -2.203 1.00 0.67 H new ATOM 0 HA ASP A 63 5.610 13.781 -3.725 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.855 14.939 -3.922 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.484 13.474 -4.651 1.00 0.85 H new ATOM 941 N VAL A 64 7.008 10.881 -3.912 1.00 0.60 N ATOM 942 CA VAL A 64 6.864 9.522 -4.405 1.00 0.64 C ATOM 943 C VAL A 64 5.594 8.878 -3.822 1.00 0.60 C ATOM 944 O VAL A 64 4.884 8.149 -4.507 1.00 0.58 O ATOM 945 CB VAL A 64 8.120 8.667 -4.061 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.948 7.212 -4.486 1.00 0.97 C ATOM 947 CG2 VAL A 64 9.350 9.260 -4.731 1.00 0.98 C ATOM 0 H VAL A 64 7.686 10.978 -3.156 1.00 0.60 H new ATOM 0 HA VAL A 64 6.772 9.559 -5.490 1.00 0.64 H new ATOM 0 HB VAL A 64 8.247 8.684 -2.979 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.845 6.649 -4.229 1.00 0.97 H new ATOM 0 HG12 VAL A 64 7.089 6.781 -3.971 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.786 7.164 -5.563 1.00 0.97 H new ATOM 0 HG21 VAL A 64 10.224 8.657 -4.486 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.207 9.269 -5.812 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.502 10.279 -4.376 1.00 0.98 H new ATOM 957 N ALA A 65 5.302 9.179 -2.568 1.00 0.72 N ATOM 958 CA ALA A 65 4.118 8.641 -1.890 1.00 0.85 C ATOM 959 C ALA A 65 2.828 9.062 -2.598 1.00 0.80 C ATOM 960 O ALA A 65 1.893 8.281 -2.729 1.00 0.90 O ATOM 961 CB ALA A 65 4.087 9.092 -0.435 1.00 1.09 C ATOM 0 H ALA A 65 5.869 9.798 -1.988 1.00 0.72 H new ATOM 0 HA ALA A 65 4.183 7.553 -1.925 1.00 0.85 H new ATOM 0 HB1 ALA A 65 3.202 8.684 0.054 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.981 8.734 0.076 1.00 1.09 H new ATOM 0 HB3 ALA A 65 4.056 10.181 -0.392 1.00 1.09 H new ATOM 967 N GLY A 66 2.815 10.272 -3.104 1.00 0.73 N ATOM 968 CA GLY A 66 1.626 10.797 -3.723 1.00 0.81 C ATOM 969 C GLY A 66 1.438 10.392 -5.180 1.00 0.73 C ATOM 970 O GLY A 66 0.464 10.804 -5.807 1.00 0.92 O ATOM 0 H GLY A 66 3.612 10.908 -3.099 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.758 10.465 -3.152 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.651 11.885 -3.662 1.00 0.81 H new ATOM 974 N ARG A 67 2.347 9.601 -5.733 1.00 0.56 N ATOM 975 CA ARG A 67 2.212 9.209 -7.144 1.00 0.61 C ATOM 976 C ARG A 67 1.613 7.815 -7.260 1.00 0.58 C ATOM 977 O ARG A 67 1.431 7.297 -8.358 1.00 0.79 O ATOM 978 CB ARG A 67 3.565 9.252 -7.885 1.00 0.63 C ATOM 979 CG ARG A 67 4.546 8.153 -7.495 1.00 0.57 C ATOM 980 CD ARG A 67 5.849 8.297 -8.248 1.00 0.87 C ATOM 981 NE ARG A 67 6.792 7.203 -7.966 1.00 1.64 N ATOM 982 CZ ARG A 67 8.125 7.279 -8.112 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.697 8.426 -8.471 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.881 6.202 -7.904 1.00 3.30 N ATOM 0 H ARG A 67 3.164 9.224 -5.252 1.00 0.56 H new ATOM 0 HA ARG A 67 1.544 9.932 -7.612 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.378 9.188 -8.957 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.033 10.219 -7.700 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.735 8.194 -6.422 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.107 7.178 -7.704 1.00 0.57 H new ATOM 0 HD2 ARG A 67 5.644 8.328 -9.318 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.313 9.248 -7.985 1.00 0.87 H new ATOM 0 HE ARG A 67 6.404 6.320 -7.634 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.123 9.252 -8.637 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.710 8.479 -8.581 1.00 2.40 H new ATOM 0 HH21 ARG A 67 8.448 5.319 -7.634 1.00 3.30 H new ATOM 0 HH22 ARG A 67 9.893 6.260 -8.015 1.00 3.30 H new ATOM 998 N VAL A 68 1.294 7.232 -6.135 1.00 0.45 N ATOM 999 CA VAL A 68 0.828 5.900 -6.068 1.00 0.45 C ATOM 1000 C VAL A 68 -0.683 5.849 -6.326 1.00 0.46 C ATOM 1001 O VAL A 68 -1.498 6.095 -5.436 1.00 0.53 O ATOM 1002 CB VAL A 68 1.159 5.335 -4.678 1.00 0.53 C ATOM 1003 CG1 VAL A 68 0.698 3.935 -4.559 1.00 1.45 C ATOM 1004 CG2 VAL A 68 2.651 5.429 -4.382 1.00 0.85 C ATOM 0 H VAL A 68 1.357 7.693 -5.227 1.00 0.45 H new ATOM 0 HA VAL A 68 1.317 5.298 -6.834 1.00 0.45 H new ATOM 0 HB VAL A 68 0.631 5.940 -3.941 1.00 0.53 H new ATOM 0 HG11 VAL A 68 0.942 3.555 -3.567 1.00 1.45 H new ATOM 0 HG12 VAL A 68 -0.381 3.893 -4.708 1.00 1.45 H new ATOM 0 HG13 VAL A 68 1.192 3.324 -5.314 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.852 5.021 -3.391 1.00 0.85 H new ATOM 0 HG22 VAL A 68 3.206 4.861 -5.128 1.00 0.85 H new ATOM 0 HG23 VAL A 68 2.963 6.473 -4.415 1.00 0.85 H new ATOM 1014 N ASP A 69 -1.026 5.603 -7.567 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.416 5.492 -7.995 1.00 0.53 C ATOM 1016 C ASP A 69 -2.843 4.036 -7.926 1.00 0.42 C ATOM 1017 O ASP A 69 -4.035 3.713 -7.730 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.560 6.038 -9.429 1.00 0.71 C ATOM 1019 CG ASP A 69 -3.905 5.752 -10.084 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -4.892 6.485 -9.841 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -3.976 4.829 -10.919 1.00 2.04 O ATOM 0 H ASP A 69 -0.351 5.472 -8.320 1.00 0.47 H new ATOM 0 HA ASP A 69 -3.058 6.079 -7.338 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.401 7.116 -9.411 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -1.771 5.610 -10.048 1.00 0.71 H new ATOM 1026 N THR A 70 -1.853 3.165 -8.017 1.00 0.35 N ATOM 1027 CA THR A 70 -2.058 1.735 -7.973 1.00 0.29 C ATOM 1028 C THR A 70 -1.067 1.098 -6.992 1.00 0.26 C ATOM 1029 O THR A 70 0.065 1.590 -6.832 1.00 0.29 O ATOM 1030 CB THR A 70 -1.874 1.089 -9.375 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.611 1.479 -9.939 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.003 1.461 -10.322 1.00 0.39 C ATOM 0 H THR A 70 -0.876 3.437 -8.124 1.00 0.35 H new ATOM 0 HA THR A 70 -3.081 1.556 -7.643 1.00 0.29 H new ATOM 0 HB THR A 70 -1.894 0.007 -9.243 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.461 2.434 -9.777 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.836 0.989 -11.290 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.952 1.118 -9.910 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.032 2.544 -10.446 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.469 0.005 -6.306 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.613 -0.705 -5.345 1.00 0.31 C ATOM 1042 C PRO A 71 0.668 -1.225 -5.984 1.00 0.32 C ATOM 1043 O PRO A 71 1.665 -1.431 -5.295 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.484 -1.869 -4.876 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.872 -1.405 -5.118 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.808 -0.604 -6.376 1.00 0.30 C ATOM 0 HA PRO A 71 -0.285 -0.051 -4.537 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.266 -2.780 -5.434 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.317 -2.092 -3.822 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.555 -2.248 -5.223 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.235 -0.802 -4.286 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.922 -1.230 -7.261 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.594 0.150 -6.416 1.00 0.30 H new ATOM 1054 N ARG A 72 0.621 -1.440 -7.304 1.00 0.32 N ATOM 1055 CA ARG A 72 1.781 -1.870 -8.097 1.00 0.38 C ATOM 1056 C ARG A 72 2.969 -0.941 -7.816 1.00 0.35 C ATOM 1057 O ARG A 72 4.059 -1.380 -7.458 1.00 0.36 O ATOM 1058 CB ARG A 72 1.444 -1.788 -9.587 1.00 0.45 C ATOM 1059 CG ARG A 72 2.472 -2.439 -10.506 1.00 0.88 C ATOM 1060 CD ARG A 72 2.297 -1.974 -11.945 1.00 0.81 C ATOM 1061 NE ARG A 72 0.909 -2.122 -12.434 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.208 -1.156 -13.069 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.773 0.026 -13.351 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.051 -1.390 -13.439 1.00 1.55 N ATOM 0 H ARG A 72 -0.228 -1.320 -7.856 1.00 0.32 H new ATOM 0 HA ARG A 72 2.034 -2.895 -7.827 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.476 -2.260 -9.754 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.339 -0.739 -9.865 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.477 -2.195 -10.162 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.373 -3.523 -10.457 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.594 -0.928 -12.022 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.966 -2.544 -12.589 1.00 0.81 H new ATOM 0 HE ARG A 72 0.447 -3.018 -12.281 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.742 0.204 -13.086 1.00 1.48 H new ATOM 0 HH12 ARG A 72 0.234 0.747 -13.830 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.481 -2.294 -13.243 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.585 -0.665 -13.918 1.00 1.55 H new ATOM 1078 N GLU A 73 2.697 0.353 -7.921 1.00 0.34 N ATOM 1079 CA GLU A 73 3.689 1.405 -7.757 1.00 0.36 C ATOM 1080 C GLU A 73 4.205 1.448 -6.328 1.00 0.32 C ATOM 1081 O GLU A 73 5.370 1.755 -6.082 1.00 0.35 O ATOM 1082 CB GLU A 73 3.055 2.734 -8.119 1.00 0.42 C ATOM 1083 CG GLU A 73 2.437 2.721 -9.493 1.00 0.60 C ATOM 1084 CD GLU A 73 1.694 3.975 -9.820 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.517 4.093 -9.419 1.00 2.18 O ATOM 1086 OE2 GLU A 73 2.291 4.891 -10.432 1.00 1.78 O ATOM 0 H GLU A 73 1.763 0.707 -8.126 1.00 0.34 H new ATOM 0 HA GLU A 73 4.536 1.202 -8.413 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.291 2.981 -7.382 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.810 3.519 -8.071 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.221 2.568 -10.235 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.756 1.873 -9.569 1.00 0.60 H new ATOM 1093 N LEU A 74 3.325 1.158 -5.399 1.00 0.31 N ATOM 1094 CA LEU A 74 3.668 1.138 -3.996 1.00 0.32 C ATOM 1095 C LEU A 74 4.602 -0.054 -3.712 1.00 0.30 C ATOM 1096 O LEU A 74 5.643 0.096 -3.057 1.00 0.31 O ATOM 1097 CB LEU A 74 2.363 1.117 -3.145 1.00 0.36 C ATOM 1098 CG LEU A 74 2.479 1.343 -1.622 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.017 0.116 -0.915 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.360 2.563 -1.341 1.00 0.44 C ATOM 0 H LEU A 74 2.350 0.929 -5.594 1.00 0.31 H new ATOM 0 HA LEU A 74 4.214 2.039 -3.716 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.693 1.879 -3.544 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.879 0.153 -3.302 1.00 0.36 H new ATOM 0 HG LEU A 74 1.479 1.529 -1.229 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.085 0.313 0.155 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.347 -0.726 -1.087 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.007 -0.123 -1.303 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.437 2.716 -0.265 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.354 2.397 -1.756 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.917 3.446 -1.802 1.00 0.44 H new ATOM 1112 N LEU A 75 4.222 -1.223 -4.222 1.00 0.29 N ATOM 1113 CA LEU A 75 5.013 -2.444 -4.083 1.00 0.30 C ATOM 1114 C LEU A 75 6.406 -2.235 -4.665 1.00 0.29 C ATOM 1115 O LEU A 75 7.405 -2.593 -4.047 1.00 0.30 O ATOM 1116 CB LEU A 75 4.320 -3.626 -4.782 1.00 0.33 C ATOM 1117 CG LEU A 75 5.013 -4.991 -4.657 1.00 0.37 C ATOM 1118 CD1 LEU A 75 5.077 -5.435 -3.203 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.299 -6.034 -5.504 1.00 0.45 C ATOM 0 H LEU A 75 3.355 -1.351 -4.744 1.00 0.29 H new ATOM 0 HA LEU A 75 5.102 -2.677 -3.022 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.311 -3.717 -4.381 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.222 -3.388 -5.841 1.00 0.33 H new ATOM 0 HG LEU A 75 6.034 -4.888 -5.026 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.572 -6.404 -3.140 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.638 -4.702 -2.623 1.00 0.41 H new ATOM 0 HD13 LEU A 75 4.066 -5.517 -2.803 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.805 -6.994 -5.402 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.266 -6.131 -5.168 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.313 -5.726 -6.549 1.00 0.45 H new ATOM 1131 N ASP A 76 6.440 -1.618 -5.838 1.00 0.31 N ATOM 1132 CA ASP A 76 7.673 -1.296 -6.568 1.00 0.34 C ATOM 1133 C ASP A 76 8.641 -0.502 -5.694 1.00 0.32 C ATOM 1134 O ASP A 76 9.843 -0.792 -5.643 1.00 0.34 O ATOM 1135 CB ASP A 76 7.314 -0.481 -7.810 1.00 0.45 C ATOM 1136 CG ASP A 76 8.506 -0.081 -8.638 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.040 -0.926 -9.389 1.00 0.90 O ATOM 1138 OD2 ASP A 76 8.971 1.070 -8.503 1.00 1.25 O ATOM 0 H ASP A 76 5.596 -1.318 -6.325 1.00 0.31 H new ATOM 0 HA ASP A 76 8.164 -2.226 -6.854 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.631 -1.062 -8.430 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.779 0.417 -7.502 1.00 0.45 H new ATOM 1143 N LEU A 77 8.102 0.476 -4.996 1.00 0.32 N ATOM 1144 CA LEU A 77 8.863 1.313 -4.087 1.00 0.36 C ATOM 1145 C LEU A 77 9.424 0.499 -2.912 1.00 0.34 C ATOM 1146 O LEU A 77 10.631 0.460 -2.695 1.00 0.40 O ATOM 1147 CB LEU A 77 7.969 2.453 -3.565 1.00 0.41 C ATOM 1148 CG LEU A 77 8.541 3.345 -2.479 1.00 0.53 C ATOM 1149 CD1 LEU A 77 9.769 4.107 -2.956 1.00 0.94 C ATOM 1150 CD2 LEU A 77 7.478 4.287 -1.953 1.00 1.35 C ATOM 0 H LEU A 77 7.112 0.716 -5.043 1.00 0.32 H new ATOM 0 HA LEU A 77 9.708 1.732 -4.633 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.698 3.084 -4.412 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.046 2.012 -3.188 1.00 0.41 H new ATOM 0 HG LEU A 77 8.867 2.703 -1.661 1.00 0.53 H new ATOM 0 HD11 LEU A 77 10.146 4.733 -2.147 1.00 0.94 H new ATOM 0 HD12 LEU A 77 10.542 3.400 -3.258 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.500 4.735 -3.806 1.00 0.94 H new ATOM 0 HD21 LEU A 77 7.905 4.920 -1.175 1.00 1.35 H new ATOM 0 HD22 LEU A 77 7.110 4.912 -2.767 1.00 1.35 H new ATOM 0 HD23 LEU A 77 6.652 3.709 -1.538 1.00 1.35 H new ATOM 1162 N ILE A 78 8.545 -0.176 -2.195 1.00 0.30 N ATOM 1163 CA ILE A 78 8.926 -0.898 -0.977 1.00 0.32 C ATOM 1164 C ILE A 78 9.830 -2.096 -1.281 1.00 0.33 C ATOM 1165 O ILE A 78 10.905 -2.226 -0.700 1.00 0.39 O ATOM 1166 CB ILE A 78 7.677 -1.354 -0.176 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.794 -0.142 0.159 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.090 -2.080 1.109 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.498 0.949 0.954 1.00 0.42 C ATOM 0 H ILE A 78 7.555 -0.244 -2.430 1.00 0.30 H new ATOM 0 HA ILE A 78 9.494 -0.199 -0.363 1.00 0.32 H new ATOM 0 HB ILE A 78 7.107 -2.049 -0.793 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.419 0.287 -0.770 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.927 -0.485 0.724 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.199 -2.390 1.654 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.685 -2.958 0.856 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.681 -1.409 1.732 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.802 1.766 1.146 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.849 0.540 1.902 1.00 0.42 H new ATOM 0 HD13 ILE A 78 8.348 1.324 0.384 1.00 0.42 H new ATOM 1181 N ASN A 79 9.404 -2.952 -2.194 1.00 0.33 N ATOM 1182 CA ASN A 79 10.181 -4.147 -2.561 1.00 0.38 C ATOM 1183 C ASN A 79 11.517 -3.717 -3.168 1.00 0.38 C ATOM 1184 O ASN A 79 12.559 -4.290 -2.856 1.00 0.42 O ATOM 1185 CB ASN A 79 9.349 -5.065 -3.507 1.00 0.46 C ATOM 1186 CG ASN A 79 10.025 -6.368 -3.974 1.00 0.57 C ATOM 1187 OD1 ASN A 79 11.226 -6.448 -4.180 1.00 1.18 O ATOM 1188 ND2 ASN A 79 9.236 -7.407 -4.113 1.00 0.82 N ATOM 0 H ASN A 79 8.525 -2.851 -2.701 1.00 0.33 H new ATOM 0 HA ASN A 79 10.402 -4.740 -1.674 1.00 0.38 H new ATOM 0 HB2 ASN A 79 8.421 -5.326 -2.999 1.00 0.46 H new ATOM 0 HB3 ASN A 79 9.077 -4.487 -4.390 1.00 0.46 H new ATOM 0 HD21 ASN A 79 9.623 -8.306 -4.399 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.236 -7.315 -3.935 1.00 0.82 H new ATOM 1195 N GLY A 80 11.485 -2.647 -3.956 1.00 0.38 N ATOM 1196 CA GLY A 80 12.702 -2.101 -4.526 1.00 0.46 C ATOM 1197 C GLY A 80 13.653 -1.613 -3.444 1.00 0.50 C ATOM 1198 O GLY A 80 14.864 -1.823 -3.526 1.00 0.62 O ATOM 0 H GLY A 80 10.633 -2.147 -4.211 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.196 -2.862 -5.130 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.454 -1.276 -5.194 1.00 0.46 H new ATOM 1202 N ALA A 81 13.099 -1.015 -2.406 1.00 0.47 N ATOM 1203 CA ALA A 81 13.884 -0.514 -1.288 1.00 0.57 C ATOM 1204 C ALA A 81 14.452 -1.673 -0.465 1.00 0.62 C ATOM 1205 O ALA A 81 15.577 -1.594 0.048 1.00 0.80 O ATOM 1206 CB ALA A 81 13.038 0.397 -0.415 1.00 0.59 C ATOM 0 H ALA A 81 12.095 -0.862 -2.312 1.00 0.47 H new ATOM 0 HA ALA A 81 14.719 0.064 -1.684 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.639 0.764 0.417 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.683 1.241 -1.006 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.184 -0.160 -0.028 1.00 0.59 H new ATOM 1212 N LEU A 82 13.679 -2.746 -0.353 1.00 0.54 N ATOM 1213 CA LEU A 82 14.120 -3.955 0.337 1.00 0.61 C ATOM 1214 C LEU A 82 15.250 -4.620 -0.442 1.00 0.74 C ATOM 1215 O LEU A 82 16.195 -5.154 0.143 1.00 0.89 O ATOM 1216 CB LEU A 82 12.956 -4.943 0.526 1.00 0.54 C ATOM 1217 CG LEU A 82 11.784 -4.464 1.391 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.698 -5.528 1.447 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.255 -4.113 2.797 1.00 0.68 C ATOM 0 H LEU A 82 12.735 -2.805 -0.734 1.00 0.54 H new ATOM 0 HA LEU A 82 14.484 -3.668 1.323 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.568 -5.205 -0.458 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.353 -5.858 0.966 1.00 0.54 H new ATOM 0 HG LEU A 82 11.370 -3.564 0.936 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.873 -5.173 2.065 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.336 -5.732 0.439 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.106 -6.442 1.877 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.406 -3.776 3.392 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.698 -4.993 3.263 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.999 -3.318 2.744 1.00 0.68 H new