USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 Single : A 6 THR OG1 : rot -74:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 17 SER OG : rot 93:sc= 1.28 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 106:sc= 1.77 USER MOD Single : A 40 TYR OH : rot -160:sc= 0.606 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 46 MET CE :methyl -157:sc= 0 (180deg=-0.174) USER MOD Single : A 48 THR OG1 : rot 58:sc= 0.233 USER MOD Single : A 54 SER OG : rot 83:sc= 0.898 USER MOD Single : A 56 TYR OH : rot -105:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -60:sc= 0.0887 USER MOD Single : A 79 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -13.103 -5.158 1.055 1.00 1.02 N ATOM 45 CA LEU A 4 -11.883 -4.412 1.251 1.00 0.75 C ATOM 46 C LEU A 4 -10.689 -5.210 0.719 1.00 0.71 C ATOM 47 O LEU A 4 -10.753 -6.443 0.608 1.00 0.97 O ATOM 48 CB LEU A 4 -11.715 -4.091 2.742 1.00 0.70 C ATOM 49 CG LEU A 4 -12.926 -3.404 3.401 1.00 0.76 C ATOM 50 CD1 LEU A 4 -12.705 -3.201 4.881 1.00 1.20 C ATOM 51 CD2 LEU A 4 -13.273 -2.087 2.718 1.00 1.38 C ATOM 0 HA LEU A 4 -11.933 -3.474 0.698 1.00 0.75 H new ATOM 0 HB2 LEU A 4 -11.507 -5.018 3.276 1.00 0.70 H new ATOM 0 HB3 LEU A 4 -10.842 -3.450 2.864 1.00 0.70 H new ATOM 0 HG LEU A 4 -13.778 -4.072 3.275 1.00 0.76 H new ATOM 0 HD11 LEU A 4 -13.578 -2.714 5.316 1.00 1.20 H new ATOM 0 HD12 LEU A 4 -12.551 -4.167 5.362 1.00 1.20 H new ATOM 0 HD13 LEU A 4 -11.826 -2.575 5.035 1.00 1.20 H new ATOM 0 HD21 LEU A 4 -14.132 -1.635 3.214 1.00 1.38 H new ATOM 0 HD22 LEU A 4 -12.421 -1.410 2.780 1.00 1.38 H new ATOM 0 HD23 LEU A 4 -13.514 -2.272 1.671 1.00 1.38 H new ATOM 63 N LEU A 5 -9.616 -4.512 0.394 1.00 0.58 N ATOM 64 CA LEU A 5 -8.449 -5.140 -0.199 1.00 0.50 C ATOM 65 C LEU A 5 -7.812 -6.095 0.759 1.00 0.43 C ATOM 66 O LEU A 5 -7.757 -5.837 1.962 1.00 0.50 O ATOM 67 CB LEU A 5 -7.424 -4.100 -0.650 1.00 0.47 C ATOM 68 CG LEU A 5 -7.903 -3.118 -1.696 1.00 0.53 C ATOM 69 CD1 LEU A 5 -6.756 -2.245 -2.150 1.00 0.72 C ATOM 70 CD2 LEU A 5 -8.527 -3.851 -2.862 1.00 0.97 C ATOM 0 H LEU A 5 -9.528 -3.505 0.532 1.00 0.58 H new ATOM 0 HA LEU A 5 -8.789 -5.691 -1.075 1.00 0.50 H new ATOM 0 HB2 LEU A 5 -7.094 -3.539 0.224 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -6.551 -4.623 -1.041 1.00 0.47 H new ATOM 0 HG LEU A 5 -8.668 -2.476 -1.258 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -7.110 -1.541 -2.903 1.00 0.72 H new ATOM 0 HD12 LEU A 5 -6.358 -1.694 -1.297 1.00 0.72 H new ATOM 0 HD13 LEU A 5 -5.971 -2.869 -2.577 1.00 0.72 H new ATOM 0 HD21 LEU A 5 -8.866 -3.130 -3.606 1.00 0.97 H new ATOM 0 HD22 LEU A 5 -7.789 -4.515 -3.311 1.00 0.97 H new ATOM 0 HD23 LEU A 5 -9.376 -4.437 -2.511 1.00 0.97 H new ATOM 82 N THR A 6 -7.348 -7.192 0.257 1.00 0.40 N ATOM 83 CA THR A 6 -6.725 -8.147 1.102 1.00 0.44 C ATOM 84 C THR A 6 -5.246 -7.854 1.209 1.00 0.46 C ATOM 85 O THR A 6 -4.723 -6.935 0.534 1.00 0.49 O ATOM 86 CB THR A 6 -6.922 -9.585 0.591 1.00 0.54 C ATOM 87 OG1 THR A 6 -6.367 -9.705 -0.737 1.00 0.63 O ATOM 88 CG2 THR A 6 -8.395 -9.962 0.576 1.00 0.56 C ATOM 0 H THR A 6 -7.390 -7.445 -0.730 1.00 0.40 H new ATOM 0 HA THR A 6 -7.196 -8.069 2.082 1.00 0.44 H new ATOM 0 HB THR A 6 -6.406 -10.267 1.266 1.00 0.54 H new ATOM 0 HG1 THR A 6 -6.956 -9.257 -1.379 1.00 0.63 H new ATOM 0 HG21 THR A 6 -8.506 -10.983 0.211 1.00 0.56 H new ATOM 0 HG22 THR A 6 -8.799 -9.892 1.586 1.00 0.56 H new ATOM 0 HG23 THR A 6 -8.938 -9.281 -0.080 1.00 0.56 H new ATOM 96 N THR A 7 -4.556 -8.638 1.986 1.00 0.49 N ATOM 97 CA THR A 7 -3.151 -8.521 2.087 1.00 0.51 C ATOM 98 C THR A 7 -2.458 -9.041 0.827 1.00 0.46 C ATOM 99 O THR A 7 -1.337 -8.693 0.552 1.00 0.47 O ATOM 100 CB THR A 7 -2.631 -9.205 3.354 1.00 0.64 C ATOM 101 OG1 THR A 7 -3.410 -10.393 3.600 1.00 1.09 O ATOM 102 CG2 THR A 7 -2.715 -8.272 4.552 1.00 0.92 C ATOM 0 H THR A 7 -4.963 -9.374 2.563 1.00 0.49 H new ATOM 0 HA THR A 7 -2.906 -7.462 2.170 1.00 0.51 H new ATOM 0 HB THR A 7 -1.584 -9.470 3.208 1.00 0.64 H new ATOM 0 HG1 THR A 7 -3.082 -10.838 4.409 1.00 1.09 H new ATOM 0 HG21 THR A 7 -2.339 -8.783 5.438 1.00 0.92 H new ATOM 0 HG22 THR A 7 -2.113 -7.383 4.364 1.00 0.92 H new ATOM 0 HG23 THR A 7 -3.753 -7.980 4.714 1.00 0.92 H new ATOM 110 N ASP A 8 -3.183 -9.806 0.026 1.00 0.51 N ATOM 111 CA ASP A 8 -2.655 -10.299 -1.242 1.00 0.54 C ATOM 112 C ASP A 8 -2.665 -9.207 -2.269 1.00 0.50 C ATOM 113 O ASP A 8 -1.707 -9.069 -3.049 1.00 0.52 O ATOM 114 CB ASP A 8 -3.417 -11.518 -1.759 1.00 0.69 C ATOM 115 CG ASP A 8 -3.147 -12.751 -0.950 1.00 1.24 C ATOM 116 OD1 ASP A 8 -3.822 -12.957 0.090 1.00 2.13 O ATOM 117 OD2 ASP A 8 -2.277 -13.541 -1.337 1.00 1.37 O ATOM 0 H ASP A 8 -4.138 -10.100 0.229 1.00 0.51 H new ATOM 0 HA ASP A 8 -1.628 -10.617 -1.059 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -4.486 -11.306 -1.746 1.00 0.69 H new ATOM 0 HB3 ASP A 8 -3.141 -11.701 -2.797 1.00 0.69 H new ATOM 122 N ASP A 9 -3.738 -8.421 -2.262 1.00 0.50 N ATOM 123 CA ASP A 9 -3.862 -7.259 -3.148 1.00 0.55 C ATOM 124 C ASP A 9 -2.753 -6.305 -2.842 1.00 0.47 C ATOM 125 O ASP A 9 -2.020 -5.867 -3.728 1.00 0.49 O ATOM 126 CB ASP A 9 -5.200 -6.516 -2.944 1.00 0.69 C ATOM 127 CG ASP A 9 -6.413 -7.294 -3.361 1.00 1.11 C ATOM 128 OD1 ASP A 9 -6.731 -7.301 -4.573 1.00 1.24 O ATOM 129 OD2 ASP A 9 -7.088 -7.895 -2.469 1.00 1.94 O ATOM 0 H ASP A 9 -4.541 -8.566 -1.650 1.00 0.50 H new ATOM 0 HA ASP A 9 -3.818 -7.617 -4.177 1.00 0.55 H new ATOM 0 HB2 ASP A 9 -5.298 -6.252 -1.891 1.00 0.69 H new ATOM 0 HB3 ASP A 9 -5.172 -5.582 -3.506 1.00 0.69 H new ATOM 134 N LEU A 10 -2.621 -6.023 -1.560 1.00 0.43 N ATOM 135 CA LEU A 10 -1.619 -5.129 -1.053 1.00 0.41 C ATOM 136 C LEU A 10 -0.216 -5.655 -1.363 1.00 0.37 C ATOM 137 O LEU A 10 0.587 -4.933 -1.917 1.00 0.42 O ATOM 138 CB LEU A 10 -1.825 -4.928 0.456 1.00 0.44 C ATOM 139 CG LEU A 10 -0.894 -3.937 1.164 1.00 0.57 C ATOM 140 CD1 LEU A 10 -1.002 -2.547 0.547 1.00 0.83 C ATOM 141 CD2 LEU A 10 -1.240 -3.880 2.641 1.00 0.79 C ATOM 0 H LEU A 10 -3.221 -6.419 -0.837 1.00 0.43 H new ATOM 0 HA LEU A 10 -1.717 -4.162 -1.546 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -2.852 -4.600 0.616 1.00 0.44 H new ATOM 0 HB3 LEU A 10 -1.720 -5.897 0.943 1.00 0.44 H new ATOM 0 HG LEU A 10 0.133 -4.280 1.043 1.00 0.57 H new ATOM 0 HD11 LEU A 10 -0.331 -1.864 1.068 1.00 0.83 H new ATOM 0 HD12 LEU A 10 -0.725 -2.594 -0.506 1.00 0.83 H new ATOM 0 HD13 LEU A 10 -2.027 -2.188 0.637 1.00 0.83 H new ATOM 0 HD21 LEU A 10 -0.577 -3.175 3.143 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -2.273 -3.555 2.760 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -1.118 -4.869 3.082 1.00 0.79 H new ATOM 153 N ARG A 11 0.040 -6.935 -1.052 1.00 0.36 N ATOM 154 CA ARG A 11 1.349 -7.567 -1.270 1.00 0.37 C ATOM 155 C ARG A 11 1.886 -7.388 -2.677 1.00 0.37 C ATOM 156 O ARG A 11 2.918 -6.767 -2.862 1.00 0.37 O ATOM 157 CB ARG A 11 1.352 -9.068 -0.886 1.00 0.40 C ATOM 158 CG ARG A 11 2.600 -9.825 -1.349 1.00 0.50 C ATOM 159 CD ARG A 11 2.709 -11.218 -0.757 1.00 0.59 C ATOM 160 NE ARG A 11 1.550 -12.084 -1.002 1.00 0.96 N ATOM 161 CZ ARG A 11 1.457 -13.328 -0.512 1.00 1.40 C ATOM 162 NH1 ARG A 11 2.556 -13.932 -0.058 1.00 1.74 N ATOM 163 NH2 ARG A 11 0.300 -13.991 -0.539 1.00 2.00 N ATOM 0 H ARG A 11 -0.654 -7.560 -0.643 1.00 0.36 H new ATOM 0 HA ARG A 11 2.024 -7.036 -0.599 1.00 0.37 H new ATOM 0 HB2 ARG A 11 1.267 -9.156 0.197 1.00 0.40 H new ATOM 0 HB3 ARG A 11 0.470 -9.544 -1.315 1.00 0.40 H new ATOM 0 HG2 ARG A 11 2.589 -9.899 -2.436 1.00 0.50 H new ATOM 0 HG3 ARG A 11 3.486 -9.252 -1.077 1.00 0.50 H new ATOM 0 HD2 ARG A 11 3.598 -11.701 -1.163 1.00 0.59 H new ATOM 0 HD3 ARG A 11 2.857 -11.129 0.319 1.00 0.59 H new ATOM 0 HE ARG A 11 0.783 -11.724 -1.569 1.00 0.96 H new ATOM 0 HH11 ARG A 11 3.453 -13.447 -0.086 1.00 1.74 H new ATOM 0 HH12 ARG A 11 2.499 -14.879 0.318 1.00 1.74 H new ATOM 0 HH21 ARG A 11 -0.530 -13.552 -0.937 1.00 2.00 H new ATOM 0 HH22 ARG A 11 0.246 -14.937 -0.162 1.00 2.00 H new ATOM 177 N ARG A 12 1.183 -7.890 -3.669 1.00 0.39 N ATOM 178 CA ARG A 12 1.736 -7.869 -5.013 1.00 0.42 C ATOM 179 C ARG A 12 1.794 -6.481 -5.607 1.00 0.42 C ATOM 180 O ARG A 12 2.640 -6.204 -6.449 1.00 0.49 O ATOM 181 CB ARG A 12 1.101 -8.909 -5.941 1.00 0.52 C ATOM 182 CG ARG A 12 1.337 -10.357 -5.489 1.00 1.15 C ATOM 183 CD ARG A 12 2.830 -10.702 -5.414 1.00 1.30 C ATOM 184 NE ARG A 12 3.087 -12.026 -4.825 1.00 1.59 N ATOM 185 CZ ARG A 12 4.233 -12.380 -4.220 1.00 2.08 C ATOM 186 NH1 ARG A 12 5.294 -11.569 -4.272 1.00 2.14 N ATOM 187 NH2 ARG A 12 4.339 -13.566 -3.624 1.00 2.82 N ATOM 0 H ARG A 12 0.256 -8.306 -3.581 1.00 0.39 H new ATOM 0 HA ARG A 12 2.776 -8.179 -4.911 1.00 0.42 H new ATOM 0 HB2 ARG A 12 0.028 -8.725 -6.000 1.00 0.52 H new ATOM 0 HB3 ARG A 12 1.502 -8.780 -6.946 1.00 0.52 H new ATOM 0 HG2 ARG A 12 0.880 -10.510 -4.511 1.00 1.15 H new ATOM 0 HG3 ARG A 12 0.842 -11.038 -6.182 1.00 1.15 H new ATOM 0 HD2 ARG A 12 3.256 -10.668 -6.417 1.00 1.30 H new ATOM 0 HD3 ARG A 12 3.343 -9.943 -4.824 1.00 1.30 H new ATOM 0 HE ARG A 12 2.344 -12.723 -4.880 1.00 1.59 H new ATOM 0 HH11 ARG A 12 5.234 -10.681 -4.771 1.00 2.14 H new ATOM 0 HH12 ARG A 12 6.164 -11.838 -3.813 1.00 2.14 H new ATOM 0 HH21 ARG A 12 3.548 -14.210 -3.626 1.00 2.82 H new ATOM 0 HH22 ARG A 12 5.211 -13.830 -3.166 1.00 2.82 H new ATOM 201 N ALA A 13 0.938 -5.597 -5.152 1.00 0.41 N ATOM 202 CA ALA A 13 1.008 -4.220 -5.597 1.00 0.47 C ATOM 203 C ALA A 13 2.223 -3.541 -4.962 1.00 0.43 C ATOM 204 O ALA A 13 2.933 -2.792 -5.617 1.00 0.48 O ATOM 205 CB ALA A 13 -0.266 -3.474 -5.245 1.00 0.55 C ATOM 0 H ALA A 13 0.194 -5.799 -4.484 1.00 0.41 H new ATOM 0 HA ALA A 13 1.114 -4.203 -6.682 1.00 0.47 H new ATOM 0 HB1 ALA A 13 -0.190 -2.442 -5.589 1.00 0.55 H new ATOM 0 HB2 ALA A 13 -1.115 -3.956 -5.729 1.00 0.55 H new ATOM 0 HB3 ALA A 13 -0.408 -3.487 -4.164 1.00 0.55 H new ATOM 211 N LEU A 14 2.460 -3.863 -3.699 1.00 0.39 N ATOM 212 CA LEU A 14 3.542 -3.298 -2.893 1.00 0.40 C ATOM 213 C LEU A 14 4.903 -3.746 -3.406 1.00 0.39 C ATOM 214 O LEU A 14 5.811 -2.927 -3.612 1.00 0.46 O ATOM 215 CB LEU A 14 3.356 -3.750 -1.436 1.00 0.44 C ATOM 216 CG LEU A 14 4.284 -3.148 -0.394 1.00 0.43 C ATOM 217 CD1 LEU A 14 4.065 -1.651 -0.305 1.00 0.81 C ATOM 218 CD2 LEU A 14 4.044 -3.804 0.957 1.00 0.70 C ATOM 0 H LEU A 14 1.893 -4.541 -3.190 1.00 0.39 H new ATOM 0 HA LEU A 14 3.505 -2.211 -2.960 1.00 0.40 H new ATOM 0 HB2 LEU A 14 2.330 -3.527 -1.142 1.00 0.44 H new ATOM 0 HB3 LEU A 14 3.469 -4.834 -1.402 1.00 0.44 H new ATOM 0 HG LEU A 14 5.317 -3.329 -0.690 1.00 0.43 H new ATOM 0 HD11 LEU A 14 4.735 -1.229 0.444 1.00 0.81 H new ATOM 0 HD12 LEU A 14 4.271 -1.195 -1.273 1.00 0.81 H new ATOM 0 HD13 LEU A 14 3.032 -1.451 -0.022 1.00 0.81 H new ATOM 0 HD21 LEU A 14 4.713 -3.367 1.698 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.010 -3.642 1.262 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.236 -4.874 0.881 1.00 0.70 H new ATOM 230 N VAL A 15 5.027 -5.047 -3.611 1.00 0.38 N ATOM 231 CA VAL A 15 6.265 -5.661 -4.073 1.00 0.44 C ATOM 232 C VAL A 15 6.706 -5.055 -5.406 1.00 0.47 C ATOM 233 O VAL A 15 7.732 -4.402 -5.463 1.00 0.54 O ATOM 234 CB VAL A 15 6.112 -7.213 -4.202 1.00 0.51 C ATOM 235 CG1 VAL A 15 7.387 -7.846 -4.717 1.00 0.64 C ATOM 236 CG2 VAL A 15 5.758 -7.832 -2.859 1.00 0.55 C ATOM 0 H VAL A 15 4.268 -5.712 -3.461 1.00 0.38 H new ATOM 0 HA VAL A 15 7.035 -5.458 -3.329 1.00 0.44 H new ATOM 0 HB VAL A 15 5.308 -7.402 -4.913 1.00 0.51 H new ATOM 0 HG11 VAL A 15 7.251 -8.925 -4.796 1.00 0.64 H new ATOM 0 HG12 VAL A 15 7.626 -7.437 -5.699 1.00 0.64 H new ATOM 0 HG13 VAL A 15 8.203 -7.633 -4.027 1.00 0.64 H new ATOM 0 HG21 VAL A 15 5.656 -8.911 -2.971 1.00 0.55 H new ATOM 0 HG22 VAL A 15 6.547 -7.615 -2.139 1.00 0.55 H new ATOM 0 HG23 VAL A 15 4.817 -7.414 -2.503 1.00 0.55 H new ATOM 246 N GLU A 16 5.900 -5.235 -6.450 1.00 0.48 N ATOM 247 CA GLU A 16 6.262 -4.795 -7.810 1.00 0.58 C ATOM 248 C GLU A 16 6.473 -3.279 -7.934 1.00 0.59 C ATOM 249 O GLU A 16 7.155 -2.809 -8.853 1.00 0.74 O ATOM 250 CB GLU A 16 5.222 -5.243 -8.815 1.00 0.69 C ATOM 251 CG GLU A 16 5.021 -6.737 -8.871 1.00 1.08 C ATOM 252 CD GLU A 16 4.097 -7.129 -9.979 1.00 1.37 C ATOM 253 OE1 GLU A 16 4.555 -7.354 -11.106 1.00 1.75 O ATOM 254 OE2 GLU A 16 2.874 -7.262 -9.730 1.00 1.79 O ATOM 0 H GLU A 16 4.986 -5.684 -6.387 1.00 0.48 H new ATOM 0 HA GLU A 16 7.220 -5.269 -8.024 1.00 0.58 H new ATOM 0 HB2 GLU A 16 4.271 -4.768 -8.573 1.00 0.69 H new ATOM 0 HB3 GLU A 16 5.513 -4.889 -9.804 1.00 0.69 H new ATOM 0 HG2 GLU A 16 5.984 -7.229 -9.009 1.00 1.08 H new ATOM 0 HG3 GLU A 16 4.618 -7.086 -7.920 1.00 1.08 H new ATOM 261 N SER A 17 5.911 -2.520 -7.032 1.00 0.55 N ATOM 262 CA SER A 17 6.039 -1.093 -7.097 1.00 0.62 C ATOM 263 C SER A 17 7.298 -0.588 -6.390 1.00 0.66 C ATOM 264 O SER A 17 7.565 0.610 -6.413 1.00 0.81 O ATOM 265 CB SER A 17 4.792 -0.411 -6.568 1.00 0.66 C ATOM 266 OG SER A 17 3.640 -0.841 -7.289 1.00 1.19 O ATOM 0 H SER A 17 5.362 -2.867 -6.246 1.00 0.55 H new ATOM 0 HA SER A 17 6.148 -0.829 -8.149 1.00 0.62 H new ATOM 0 HB2 SER A 17 4.670 -0.636 -5.509 1.00 0.66 H new ATOM 0 HB3 SER A 17 4.898 0.670 -6.654 1.00 0.66 H new ATOM 0 HG SER A 17 3.228 -1.599 -6.825 1.00 1.19 H new ATOM 272 N ALA A 18 8.072 -1.505 -5.772 1.00 0.59 N ATOM 273 CA ALA A 18 9.318 -1.128 -5.098 1.00 0.69 C ATOM 274 C ALA A 18 10.275 -0.494 -6.102 1.00 0.94 C ATOM 275 O ALA A 18 10.813 0.591 -5.867 1.00 1.31 O ATOM 276 CB ALA A 18 9.961 -2.325 -4.410 1.00 0.71 C ATOM 0 H ALA A 18 7.853 -2.500 -5.729 1.00 0.59 H new ATOM 0 HA ALA A 18 9.086 -0.398 -4.323 1.00 0.69 H new ATOM 0 HB1 ALA A 18 10.883 -2.011 -3.920 1.00 0.71 H new ATOM 0 HB2 ALA A 18 9.274 -2.729 -3.666 1.00 0.71 H new ATOM 0 HB3 ALA A 18 10.187 -3.092 -5.151 1.00 0.71 H new ATOM 282 N GLY A 19 10.492 -1.164 -7.219 1.00 0.84 N ATOM 283 CA GLY A 19 11.279 -0.528 -8.259 1.00 1.12 C ATOM 284 C GLY A 19 11.848 -1.466 -9.283 1.00 1.09 C ATOM 285 O GLY A 19 11.628 -1.294 -10.472 1.00 1.38 O ATOM 0 H GLY A 19 10.153 -2.104 -7.425 1.00 0.84 H new ATOM 0 HA2 GLY A 19 10.656 0.207 -8.768 1.00 1.12 H new ATOM 0 HA3 GLY A 19 12.099 0.018 -7.792 1.00 1.12 H new ATOM 289 N GLU A 20 12.568 -2.446 -8.822 1.00 1.07 N ATOM 290 CA GLU A 20 13.263 -3.405 -9.683 1.00 1.31 C ATOM 291 C GLU A 20 12.283 -4.456 -10.223 1.00 1.32 C ATOM 292 O GLU A 20 11.074 -4.203 -10.313 1.00 1.70 O ATOM 293 CB GLU A 20 14.325 -4.095 -8.841 1.00 1.70 C ATOM 294 CG GLU A 20 15.300 -3.142 -8.181 1.00 2.51 C ATOM 295 CD GLU A 20 16.225 -3.851 -7.245 1.00 3.05 C ATOM 296 OE1 GLU A 20 17.265 -4.345 -7.690 1.00 3.30 O ATOM 297 OE2 GLU A 20 15.938 -3.906 -6.037 1.00 3.58 O ATOM 0 H GLU A 20 12.702 -2.619 -7.826 1.00 1.07 H new ATOM 0 HA GLU A 20 13.709 -2.886 -10.532 1.00 1.31 H new ATOM 0 HB2 GLU A 20 13.834 -4.689 -8.070 1.00 1.70 H new ATOM 0 HB3 GLU A 20 14.881 -4.789 -9.472 1.00 1.70 H new ATOM 0 HG2 GLU A 20 15.882 -2.629 -8.947 1.00 2.51 H new ATOM 0 HG3 GLU A 20 14.747 -2.377 -7.635 1.00 2.51 H new ATOM 304 N THR A 21 12.815 -5.600 -10.650 1.00 1.59 N ATOM 305 CA THR A 21 12.013 -6.760 -10.998 1.00 1.78 C ATOM 306 C THR A 21 11.308 -7.179 -9.706 1.00 1.49 C ATOM 307 O THR A 21 11.893 -7.902 -8.885 1.00 1.79 O ATOM 308 CB THR A 21 12.955 -7.890 -11.438 1.00 2.25 C ATOM 309 OG1 THR A 21 13.919 -7.364 -12.373 1.00 2.61 O ATOM 310 CG2 THR A 21 12.182 -9.016 -12.102 1.00 2.75 C ATOM 0 H THR A 21 13.818 -5.744 -10.763 1.00 1.59 H new ATOM 0 HA THR A 21 11.305 -6.548 -11.799 1.00 1.78 H new ATOM 0 HB THR A 21 13.457 -8.287 -10.555 1.00 2.25 H new ATOM 0 HG1 THR A 21 14.525 -8.081 -12.656 1.00 2.61 H new ATOM 0 HG21 THR A 21 12.873 -9.803 -12.404 1.00 2.75 H new ATOM 0 HG22 THR A 21 11.454 -9.422 -11.399 1.00 2.75 H new ATOM 0 HG23 THR A 21 11.663 -8.632 -12.980 1.00 2.75 H new ATOM 318 N ASP A 22 10.117 -6.619 -9.495 1.00 1.18 N ATOM 319 CA ASP A 22 9.407 -6.658 -8.222 1.00 0.96 C ATOM 320 C ASP A 22 10.142 -5.737 -7.257 1.00 0.88 C ATOM 321 O ASP A 22 9.872 -4.530 -7.203 1.00 1.33 O ATOM 322 CB ASP A 22 9.220 -8.084 -7.635 1.00 1.20 C ATOM 323 CG ASP A 22 8.109 -8.896 -8.275 1.00 1.45 C ATOM 324 OD1 ASP A 22 8.017 -8.900 -9.527 1.00 2.09 O ATOM 325 OD2 ASP A 22 7.309 -9.535 -7.560 1.00 1.65 O ATOM 0 H ASP A 22 9.610 -6.115 -10.222 1.00 1.18 H new ATOM 0 HA ASP A 22 8.386 -6.314 -8.388 1.00 0.96 H new ATOM 0 HB2 ASP A 22 10.157 -8.631 -7.740 1.00 1.20 H new ATOM 0 HB3 ASP A 22 9.019 -7.998 -6.567 1.00 1.20 H new ATOM 330 N GLY A 23 11.133 -6.261 -6.590 1.00 0.62 N ATOM 331 CA GLY A 23 11.917 -5.460 -5.703 1.00 0.64 C ATOM 332 C GLY A 23 12.089 -6.121 -4.366 1.00 0.74 C ATOM 333 O GLY A 23 13.011 -6.902 -4.168 1.00 1.25 O ATOM 0 H GLY A 23 11.414 -7.240 -6.647 1.00 0.62 H new ATOM 0 HA2 GLY A 23 12.895 -5.276 -6.147 1.00 0.64 H new ATOM 0 HA3 GLY A 23 11.439 -4.489 -5.571 1.00 0.64 H new ATOM 337 N THR A 24 11.198 -5.834 -3.473 1.00 0.68 N ATOM 338 CA THR A 24 11.228 -6.366 -2.140 1.00 0.78 C ATOM 339 C THR A 24 9.950 -7.179 -1.933 1.00 0.70 C ATOM 340 O THR A 24 8.858 -6.655 -2.096 1.00 0.94 O ATOM 341 CB THR A 24 11.258 -5.185 -1.150 1.00 1.01 C ATOM 342 OG1 THR A 24 12.362 -4.313 -1.480 1.00 1.78 O ATOM 343 CG2 THR A 24 11.411 -5.670 0.288 1.00 0.96 C ATOM 0 H THR A 24 10.410 -5.210 -3.649 1.00 0.68 H new ATOM 0 HA THR A 24 12.102 -6.998 -1.982 1.00 0.78 H new ATOM 0 HB THR A 24 10.313 -4.647 -1.231 1.00 1.01 H new ATOM 0 HG1 THR A 24 12.383 -3.560 -0.853 1.00 1.78 H new ATOM 0 HG21 THR A 24 11.429 -4.813 0.961 1.00 0.96 H new ATOM 0 HG22 THR A 24 10.572 -6.316 0.545 1.00 0.96 H new ATOM 0 HG23 THR A 24 12.342 -6.228 0.387 1.00 0.96 H new ATOM 351 N ASP A 25 10.091 -8.461 -1.661 1.00 0.63 N ATOM 352 CA ASP A 25 8.936 -9.332 -1.470 1.00 0.57 C ATOM 353 C ASP A 25 8.450 -9.237 -0.028 1.00 0.74 C ATOM 354 O ASP A 25 9.261 -9.165 0.910 1.00 1.73 O ATOM 355 CB ASP A 25 9.289 -10.787 -1.818 1.00 0.66 C ATOM 356 CG ASP A 25 8.105 -11.737 -1.728 1.00 1.34 C ATOM 357 OD1 ASP A 25 7.823 -12.261 -0.646 1.00 1.86 O ATOM 358 OD2 ASP A 25 7.454 -11.998 -2.761 1.00 2.00 O ATOM 0 H ASP A 25 10.993 -8.928 -1.566 1.00 0.63 H new ATOM 0 HA ASP A 25 8.139 -9.006 -2.138 1.00 0.57 H new ATOM 0 HB2 ASP A 25 9.697 -10.822 -2.828 1.00 0.66 H new ATOM 0 HB3 ASP A 25 10.074 -11.133 -1.145 1.00 0.66 H new ATOM 363 N LEU A 26 7.153 -9.238 0.151 1.00 0.53 N ATOM 364 CA LEU A 26 6.541 -9.128 1.457 1.00 0.46 C ATOM 365 C LEU A 26 5.569 -10.271 1.677 1.00 0.60 C ATOM 366 O LEU A 26 4.377 -10.123 1.480 1.00 0.86 O ATOM 367 CB LEU A 26 5.801 -7.775 1.666 1.00 0.43 C ATOM 368 CG LEU A 26 6.628 -6.488 1.859 1.00 0.42 C ATOM 369 CD1 LEU A 26 7.654 -6.644 2.961 1.00 0.71 C ATOM 370 CD2 LEU A 26 7.258 -6.002 0.571 1.00 0.79 C ATOM 0 H LEU A 26 6.482 -9.316 -0.613 1.00 0.53 H new ATOM 0 HA LEU A 26 7.351 -9.174 2.185 1.00 0.46 H new ATOM 0 HB2 LEU A 26 5.150 -7.621 0.806 1.00 0.43 H new ATOM 0 HB3 LEU A 26 5.156 -7.885 2.538 1.00 0.43 H new ATOM 0 HG LEU A 26 5.927 -5.713 2.170 1.00 0.42 H new ATOM 0 HD11 LEU A 26 8.217 -5.717 3.068 1.00 0.71 H new ATOM 0 HD12 LEU A 26 7.148 -6.871 3.899 1.00 0.71 H new ATOM 0 HD13 LEU A 26 8.336 -7.456 2.711 1.00 0.71 H new ATOM 0 HD21 LEU A 26 7.828 -5.094 0.765 1.00 0.79 H new ATOM 0 HD22 LEU A 26 7.923 -6.771 0.178 1.00 0.79 H new ATOM 0 HD23 LEU A 26 6.477 -5.791 -0.159 1.00 0.79 H new ATOM 382 N SER A 27 6.088 -11.409 2.004 1.00 0.69 N ATOM 383 CA SER A 27 5.271 -12.576 2.259 1.00 0.87 C ATOM 384 C SER A 27 5.444 -13.047 3.697 1.00 0.86 C ATOM 385 O SER A 27 6.356 -12.598 4.396 1.00 1.38 O ATOM 386 CB SER A 27 5.606 -13.677 1.268 1.00 1.31 C ATOM 387 OG SER A 27 5.409 -13.211 -0.065 1.00 1.77 O ATOM 0 H SER A 27 7.090 -11.568 2.105 1.00 0.69 H new ATOM 0 HA SER A 27 4.223 -12.310 2.124 1.00 0.87 H new ATOM 0 HB2 SER A 27 6.640 -13.995 1.401 1.00 1.31 H new ATOM 0 HB3 SER A 27 4.978 -14.548 1.454 1.00 1.31 H new ATOM 0 HG SER A 27 6.279 -13.050 -0.487 1.00 1.77 H new ATOM 393 N GLY A 28 4.585 -13.941 4.135 1.00 0.85 N ATOM 394 CA GLY A 28 4.610 -14.386 5.502 1.00 1.04 C ATOM 395 C GLY A 28 3.635 -13.561 6.271 1.00 0.98 C ATOM 396 O GLY A 28 2.457 -13.914 6.371 1.00 1.37 O ATOM 0 H GLY A 28 3.861 -14.372 3.560 1.00 0.85 H new ATOM 0 HA2 GLY A 28 4.348 -15.442 5.564 1.00 1.04 H new ATOM 0 HA3 GLY A 28 5.611 -14.281 5.919 1.00 1.04 H new ATOM 400 N ASP A 29 4.107 -12.451 6.757 1.00 0.88 N ATOM 401 CA ASP A 29 3.287 -11.439 7.398 1.00 0.85 C ATOM 402 C ASP A 29 4.022 -10.141 7.272 1.00 0.73 C ATOM 403 O ASP A 29 5.180 -10.051 7.666 1.00 0.93 O ATOM 404 CB ASP A 29 2.991 -11.748 8.869 1.00 1.08 C ATOM 405 CG ASP A 29 2.092 -10.693 9.481 1.00 1.69 C ATOM 406 OD1 ASP A 29 0.897 -10.617 9.100 1.00 2.39 O ATOM 407 OD2 ASP A 29 2.557 -9.920 10.339 1.00 2.15 O ATOM 0 H ASP A 29 5.097 -12.208 6.723 1.00 0.88 H new ATOM 0 HA ASP A 29 2.314 -11.403 6.908 1.00 0.85 H new ATOM 0 HB2 ASP A 29 2.516 -12.726 8.949 1.00 1.08 H new ATOM 0 HB3 ASP A 29 3.926 -11.801 9.427 1.00 1.08 H new ATOM 412 N PHE A 30 3.398 -9.162 6.692 1.00 0.56 N ATOM 413 CA PHE A 30 4.091 -7.929 6.381 1.00 0.50 C ATOM 414 C PHE A 30 3.278 -6.705 6.746 1.00 0.41 C ATOM 415 O PHE A 30 3.768 -5.588 6.631 1.00 0.40 O ATOM 416 CB PHE A 30 4.399 -7.884 4.878 1.00 0.50 C ATOM 417 CG PHE A 30 3.165 -7.787 3.996 1.00 0.43 C ATOM 418 CD1 PHE A 30 2.393 -8.906 3.721 1.00 0.50 C ATOM 419 CD2 PHE A 30 2.779 -6.566 3.460 1.00 0.42 C ATOM 420 CE1 PHE A 30 1.268 -8.808 2.934 1.00 0.53 C ATOM 421 CE2 PHE A 30 1.654 -6.466 2.675 1.00 0.45 C ATOM 422 CZ PHE A 30 0.899 -7.586 2.413 1.00 0.50 C ATOM 0 H PHE A 30 2.415 -9.183 6.422 1.00 0.56 H new ATOM 0 HA PHE A 30 5.008 -7.914 6.970 1.00 0.50 H new ATOM 0 HB2 PHE A 30 5.046 -7.030 4.676 1.00 0.50 H new ATOM 0 HB3 PHE A 30 4.958 -8.779 4.605 1.00 0.50 H new ATOM 0 HD1 PHE A 30 2.678 -9.865 4.129 1.00 0.50 H new ATOM 0 HD2 PHE A 30 3.369 -5.684 3.662 1.00 0.42 H new ATOM 0 HE1 PHE A 30 0.676 -9.687 2.725 1.00 0.53 H new ATOM 0 HE2 PHE A 30 1.364 -5.510 2.265 1.00 0.45 H new ATOM 0 HZ PHE A 30 0.015 -7.508 1.798 1.00 0.50 H new ATOM 432 N LEU A 31 2.062 -6.907 7.205 1.00 0.43 N ATOM 433 CA LEU A 31 1.133 -5.855 7.444 1.00 0.44 C ATOM 434 C LEU A 31 1.607 -4.884 8.561 1.00 0.52 C ATOM 435 O LEU A 31 1.170 -3.726 8.622 1.00 0.66 O ATOM 436 CB LEU A 31 -0.210 -6.500 7.761 1.00 0.52 C ATOM 437 CG LEU A 31 -1.366 -5.570 7.956 1.00 0.68 C ATOM 438 CD1 LEU A 31 -1.641 -4.763 6.687 1.00 0.88 C ATOM 439 CD2 LEU A 31 -2.599 -6.325 8.398 1.00 1.47 C ATOM 0 H LEU A 31 1.696 -7.834 7.423 1.00 0.43 H new ATOM 0 HA LEU A 31 1.044 -5.227 6.557 1.00 0.44 H new ATOM 0 HB2 LEU A 31 -0.458 -7.188 6.953 1.00 0.52 H new ATOM 0 HB3 LEU A 31 -0.097 -7.098 8.665 1.00 0.52 H new ATOM 0 HG LEU A 31 -1.102 -4.868 8.747 1.00 0.68 H new ATOM 0 HD11 LEU A 31 -2.486 -4.095 6.856 1.00 0.88 H new ATOM 0 HD12 LEU A 31 -0.759 -4.175 6.431 1.00 0.88 H new ATOM 0 HD13 LEU A 31 -1.874 -5.442 5.867 1.00 0.88 H new ATOM 0 HD21 LEU A 31 -3.425 -5.626 8.533 1.00 1.47 H new ATOM 0 HD22 LEU A 31 -2.866 -7.061 7.640 1.00 1.47 H new ATOM 0 HD23 LEU A 31 -2.396 -6.833 9.341 1.00 1.47 H new ATOM 451 N ASP A 32 2.524 -5.342 9.391 1.00 0.60 N ATOM 452 CA ASP A 32 3.061 -4.531 10.479 1.00 0.84 C ATOM 453 C ASP A 32 4.530 -4.121 10.188 1.00 0.71 C ATOM 454 O ASP A 32 5.159 -3.385 10.951 1.00 0.85 O ATOM 455 CB ASP A 32 2.935 -5.315 11.808 1.00 1.20 C ATOM 456 CG ASP A 32 3.505 -4.604 13.020 1.00 1.57 C ATOM 457 OD1 ASP A 32 2.862 -3.639 13.512 1.00 2.05 O ATOM 458 OD2 ASP A 32 4.608 -4.985 13.490 1.00 2.21 O ATOM 0 H ASP A 32 2.919 -6.281 9.335 1.00 0.60 H new ATOM 0 HA ASP A 32 2.487 -3.609 10.565 1.00 0.84 H new ATOM 0 HB2 ASP A 32 1.881 -5.527 11.990 1.00 1.20 H new ATOM 0 HB3 ASP A 32 3.439 -6.275 11.697 1.00 1.20 H new ATOM 463 N LEU A 33 5.055 -4.555 9.054 1.00 0.55 N ATOM 464 CA LEU A 33 6.441 -4.250 8.693 1.00 0.52 C ATOM 465 C LEU A 33 6.558 -2.845 8.133 1.00 0.51 C ATOM 466 O LEU A 33 5.966 -2.519 7.115 1.00 0.77 O ATOM 467 CB LEU A 33 7.015 -5.273 7.706 1.00 0.60 C ATOM 468 CG LEU A 33 7.105 -6.718 8.205 1.00 0.84 C ATOM 469 CD1 LEU A 33 7.758 -7.598 7.153 1.00 1.48 C ATOM 470 CD2 LEU A 33 7.870 -6.792 9.519 1.00 1.44 C ATOM 0 H LEU A 33 4.551 -5.116 8.368 1.00 0.55 H new ATOM 0 HA LEU A 33 7.031 -4.310 9.607 1.00 0.52 H new ATOM 0 HB2 LEU A 33 6.403 -5.260 6.804 1.00 0.60 H new ATOM 0 HB3 LEU A 33 8.014 -4.947 7.418 1.00 0.60 H new ATOM 0 HG LEU A 33 6.094 -7.083 8.385 1.00 0.84 H new ATOM 0 HD11 LEU A 33 7.816 -8.623 7.521 1.00 1.48 H new ATOM 0 HD12 LEU A 33 7.165 -7.573 6.239 1.00 1.48 H new ATOM 0 HD13 LEU A 33 8.763 -7.230 6.944 1.00 1.48 H new ATOM 0 HD21 LEU A 33 7.920 -7.828 9.853 1.00 1.44 H new ATOM 0 HD22 LEU A 33 8.880 -6.408 9.374 1.00 1.44 H new ATOM 0 HD23 LEU A 33 7.358 -6.193 10.272 1.00 1.44 H new ATOM 482 N ARG A 34 7.325 -2.026 8.810 1.00 0.35 N ATOM 483 CA ARG A 34 7.472 -0.623 8.460 1.00 0.37 C ATOM 484 C ARG A 34 8.266 -0.441 7.179 1.00 0.37 C ATOM 485 O ARG A 34 9.280 -1.111 6.960 1.00 0.49 O ATOM 486 CB ARG A 34 8.148 0.184 9.584 1.00 0.44 C ATOM 487 CG ARG A 34 7.373 0.306 10.907 1.00 0.53 C ATOM 488 CD ARG A 34 7.256 -1.008 11.654 1.00 0.95 C ATOM 489 NE ARG A 34 8.566 -1.645 11.853 1.00 1.56 N ATOM 490 CZ ARG A 34 8.750 -2.960 12.011 1.00 2.31 C ATOM 491 NH1 ARG A 34 7.713 -3.783 11.980 1.00 2.63 N ATOM 492 NH2 ARG A 34 9.961 -3.449 12.194 1.00 3.28 N ATOM 0 H ARG A 34 7.870 -2.309 9.624 1.00 0.35 H new ATOM 0 HA ARG A 34 6.460 -0.245 8.311 1.00 0.37 H new ATOM 0 HB2 ARG A 34 9.115 -0.272 9.797 1.00 0.44 H new ATOM 0 HB3 ARG A 34 8.345 1.189 9.211 1.00 0.44 H new ATOM 0 HG2 ARG A 34 7.870 1.037 11.546 1.00 0.53 H new ATOM 0 HG3 ARG A 34 6.374 0.690 10.701 1.00 0.53 H new ATOM 0 HD2 ARG A 34 6.786 -0.834 12.622 1.00 0.95 H new ATOM 0 HD3 ARG A 34 6.604 -1.684 11.100 1.00 0.95 H new ATOM 0 HE ARG A 34 9.390 -1.044 11.872 1.00 1.56 H new ATOM 0 HH11 ARG A 34 6.773 -3.414 11.836 1.00 2.63 H new ATOM 0 HH12 ARG A 34 7.854 -4.786 12.101 1.00 2.63 H new ATOM 0 HH21 ARG A 34 10.766 -2.823 12.216 1.00 3.28 H new ATOM 0 HH22 ARG A 34 10.093 -4.453 12.314 1.00 3.28 H new ATOM 506 N PHE A 35 7.830 0.495 6.368 1.00 0.32 N ATOM 507 CA PHE A 35 8.479 0.816 5.113 1.00 0.35 C ATOM 508 C PHE A 35 9.812 1.478 5.363 1.00 0.46 C ATOM 509 O PHE A 35 10.749 1.350 4.564 1.00 0.53 O ATOM 510 CB PHE A 35 7.577 1.690 4.243 1.00 0.33 C ATOM 511 CG PHE A 35 6.306 0.998 3.861 1.00 0.34 C ATOM 512 CD1 PHE A 35 6.341 -0.150 3.106 1.00 0.43 C ATOM 513 CD2 PHE A 35 5.086 1.473 4.277 1.00 0.37 C ATOM 514 CE1 PHE A 35 5.189 -0.803 2.768 1.00 0.52 C ATOM 515 CE2 PHE A 35 3.924 0.821 3.944 1.00 0.44 C ATOM 516 CZ PHE A 35 3.974 -0.319 3.187 1.00 0.53 C ATOM 0 H PHE A 35 7.005 1.063 6.561 1.00 0.32 H new ATOM 0 HA PHE A 35 8.661 -0.111 4.570 1.00 0.35 H new ATOM 0 HB2 PHE A 35 7.340 2.609 4.779 1.00 0.33 H new ATOM 0 HB3 PHE A 35 8.116 1.978 3.340 1.00 0.33 H new ATOM 0 HD1 PHE A 35 7.292 -0.541 2.775 1.00 0.43 H new ATOM 0 HD2 PHE A 35 5.040 2.372 4.874 1.00 0.37 H new ATOM 0 HE1 PHE A 35 5.234 -1.701 2.170 1.00 0.52 H new ATOM 0 HE2 PHE A 35 2.972 1.207 4.279 1.00 0.44 H new ATOM 0 HZ PHE A 35 3.063 -0.835 2.921 1.00 0.53 H new ATOM 526 N GLU A 36 9.897 2.160 6.496 1.00 0.59 N ATOM 527 CA GLU A 36 11.126 2.767 6.977 1.00 0.80 C ATOM 528 C GLU A 36 12.193 1.685 7.178 1.00 0.82 C ATOM 529 O GLU A 36 13.384 1.914 6.942 1.00 0.94 O ATOM 530 CB GLU A 36 10.828 3.467 8.301 1.00 1.02 C ATOM 531 CG GLU A 36 11.963 4.231 8.926 1.00 1.13 C ATOM 532 CD GLU A 36 11.511 4.932 10.169 1.00 1.46 C ATOM 533 OE1 GLU A 36 11.001 6.065 10.076 1.00 1.87 O ATOM 534 OE2 GLU A 36 11.616 4.349 11.274 1.00 1.95 O ATOM 0 H GLU A 36 9.100 2.309 7.115 1.00 0.59 H new ATOM 0 HA GLU A 36 11.501 3.490 6.252 1.00 0.80 H new ATOM 0 HB2 GLU A 36 9.999 4.156 8.143 1.00 1.02 H new ATOM 0 HB3 GLU A 36 10.488 2.717 9.015 1.00 1.02 H new ATOM 0 HG2 GLU A 36 12.779 3.549 9.164 1.00 1.13 H new ATOM 0 HG3 GLU A 36 12.353 4.958 8.214 1.00 1.13 H new ATOM 541 N ASP A 37 11.749 0.504 7.578 1.00 0.76 N ATOM 542 CA ASP A 37 12.643 -0.614 7.819 1.00 0.84 C ATOM 543 C ASP A 37 12.977 -1.348 6.539 1.00 0.79 C ATOM 544 O ASP A 37 14.139 -1.545 6.219 1.00 0.97 O ATOM 545 CB ASP A 37 12.052 -1.596 8.834 1.00 0.93 C ATOM 546 CG ASP A 37 12.898 -2.853 8.972 1.00 1.26 C ATOM 547 OD1 ASP A 37 13.894 -2.840 9.711 1.00 1.31 O ATOM 548 OD2 ASP A 37 12.585 -3.865 8.331 1.00 1.98 O ATOM 0 H ASP A 37 10.764 0.295 7.744 1.00 0.76 H new ATOM 0 HA ASP A 37 13.562 -0.195 8.230 1.00 0.84 H new ATOM 0 HB2 ASP A 37 11.968 -1.107 9.805 1.00 0.93 H new ATOM 0 HB3 ASP A 37 11.043 -1.870 8.527 1.00 0.93 H new ATOM 553 N ILE A 38 11.956 -1.685 5.765 1.00 0.62 N ATOM 554 CA ILE A 38 12.143 -2.499 4.552 1.00 0.62 C ATOM 555 C ILE A 38 12.685 -1.719 3.339 1.00 0.63 C ATOM 556 O ILE A 38 12.674 -2.215 2.211 1.00 0.69 O ATOM 557 CB ILE A 38 10.876 -3.312 4.176 1.00 0.63 C ATOM 558 CG1 ILE A 38 9.665 -2.380 3.994 1.00 0.55 C ATOM 559 CG2 ILE A 38 10.600 -4.368 5.244 1.00 0.72 C ATOM 560 CD1 ILE A 38 8.372 -3.094 3.646 1.00 0.65 C ATOM 0 H ILE A 38 10.990 -1.413 5.946 1.00 0.62 H new ATOM 0 HA ILE A 38 12.926 -3.207 4.825 1.00 0.62 H new ATOM 0 HB ILE A 38 11.050 -3.817 3.226 1.00 0.63 H new ATOM 0 HG12 ILE A 38 9.517 -1.813 4.913 1.00 0.55 H new ATOM 0 HG13 ILE A 38 9.891 -1.660 3.208 1.00 0.55 H new ATOM 0 HG21 ILE A 38 9.709 -4.935 4.974 1.00 0.72 H new ATOM 0 HG22 ILE A 38 11.452 -5.044 5.316 1.00 0.72 H new ATOM 0 HG23 ILE A 38 10.441 -3.880 6.206 1.00 0.72 H new ATOM 0 HD11 ILE A 38 7.571 -2.363 3.536 1.00 0.65 H new ATOM 0 HD12 ILE A 38 8.498 -3.638 2.710 1.00 0.65 H new ATOM 0 HD13 ILE A 38 8.117 -3.794 4.442 1.00 0.65 H new ATOM 572 N GLY A 39 13.221 -0.542 3.604 1.00 0.66 N ATOM 573 CA GLY A 39 13.875 0.260 2.588 1.00 0.76 C ATOM 574 C GLY A 39 12.947 0.789 1.515 1.00 0.64 C ATOM 575 O GLY A 39 13.296 0.786 0.329 1.00 0.74 O ATOM 0 H GLY A 39 13.215 -0.115 4.530 1.00 0.66 H new ATOM 0 HA2 GLY A 39 14.370 1.103 3.071 1.00 0.76 H new ATOM 0 HA3 GLY A 39 14.653 -0.339 2.115 1.00 0.76 H new ATOM 579 N TYR A 40 11.788 1.239 1.908 1.00 0.50 N ATOM 580 CA TYR A 40 10.852 1.803 0.966 1.00 0.41 C ATOM 581 C TYR A 40 10.936 3.295 0.927 1.00 0.40 C ATOM 582 O TYR A 40 11.001 3.959 1.973 1.00 0.57 O ATOM 583 CB TYR A 40 9.415 1.392 1.269 1.00 0.43 C ATOM 584 CG TYR A 40 8.944 0.162 0.548 1.00 0.41 C ATOM 585 CD1 TYR A 40 9.600 -1.046 0.678 1.00 0.67 C ATOM 586 CD2 TYR A 40 7.814 0.217 -0.262 1.00 0.65 C ATOM 587 CE1 TYR A 40 9.156 -2.170 0.021 1.00 0.99 C ATOM 588 CE2 TYR A 40 7.363 -0.903 -0.925 1.00 0.97 C ATOM 589 CZ TYR A 40 8.039 -2.096 -0.783 1.00 1.10 C ATOM 590 OH TYR A 40 7.585 -3.219 -1.430 1.00 1.52 O ATOM 0 H TYR A 40 11.465 1.228 2.875 1.00 0.50 H new ATOM 0 HA TYR A 40 11.132 1.404 -0.009 1.00 0.41 H new ATOM 0 HB2 TYR A 40 9.319 1.226 2.342 1.00 0.43 H new ATOM 0 HB3 TYR A 40 8.754 2.220 1.014 1.00 0.43 H new ATOM 0 HD1 TYR A 40 10.476 -1.109 1.306 1.00 0.67 H new ATOM 0 HD2 TYR A 40 7.283 1.151 -0.372 1.00 0.65 H new ATOM 0 HE1 TYR A 40 9.681 -3.107 0.135 1.00 0.99 H new ATOM 0 HE2 TYR A 40 6.485 -0.847 -1.552 1.00 0.97 H new ATOM 0 HH TYR A 40 7.008 -2.955 -2.177 1.00 1.52 H new ATOM 600 N ASP A 41 10.969 3.810 -0.269 1.00 0.45 N ATOM 601 CA ASP A 41 10.876 5.227 -0.499 1.00 0.57 C ATOM 602 C ASP A 41 9.423 5.553 -0.622 1.00 0.46 C ATOM 603 O ASP A 41 8.616 4.668 -0.985 1.00 0.44 O ATOM 604 CB ASP A 41 11.578 5.645 -1.802 1.00 0.78 C ATOM 605 CG ASP A 41 13.073 5.482 -1.769 1.00 1.35 C ATOM 606 OD1 ASP A 41 13.776 6.359 -1.215 1.00 1.88 O ATOM 607 OD2 ASP A 41 13.573 4.453 -2.270 1.00 2.04 O ATOM 0 H ASP A 41 11.062 3.255 -1.120 1.00 0.45 H new ATOM 0 HA ASP A 41 11.358 5.756 0.323 1.00 0.57 H new ATOM 0 HB2 ASP A 41 11.176 5.054 -2.625 1.00 0.78 H new ATOM 0 HB3 ASP A 41 11.341 6.688 -2.012 1.00 0.78 H new ATOM 612 N SER A 42 9.063 6.790 -0.351 1.00 0.46 N ATOM 613 CA SER A 42 7.687 7.215 -0.456 1.00 0.47 C ATOM 614 C SER A 42 7.196 7.013 -1.882 1.00 0.45 C ATOM 615 O SER A 42 6.078 6.633 -2.084 1.00 0.49 O ATOM 616 CB SER A 42 7.540 8.669 -0.101 1.00 0.66 C ATOM 617 OG SER A 42 8.317 8.997 1.075 1.00 1.03 O ATOM 0 H SER A 42 9.710 7.521 -0.055 1.00 0.46 H new ATOM 0 HA SER A 42 7.098 6.618 0.240 1.00 0.47 H new ATOM 0 HB2 SER A 42 7.864 9.286 -0.939 1.00 0.66 H new ATOM 0 HB3 SER A 42 6.490 8.899 0.077 1.00 0.66 H new ATOM 0 HG SER A 42 8.207 9.948 1.285 1.00 1.03 H new ATOM 622 N LEU A 43 8.070 7.253 -2.857 1.00 0.51 N ATOM 623 CA LEU A 43 7.731 7.067 -4.268 1.00 0.63 C ATOM 624 C LEU A 43 7.260 5.638 -4.565 1.00 0.56 C ATOM 625 O LEU A 43 6.215 5.454 -5.174 1.00 0.61 O ATOM 626 CB LEU A 43 8.904 7.463 -5.179 1.00 0.82 C ATOM 627 CG LEU A 43 8.735 7.190 -6.688 1.00 1.11 C ATOM 628 CD1 LEU A 43 7.463 7.829 -7.241 1.00 1.63 C ATOM 629 CD2 LEU A 43 9.948 7.693 -7.444 1.00 1.86 C ATOM 0 H LEU A 43 9.023 7.578 -2.695 1.00 0.51 H new ATOM 0 HA LEU A 43 6.895 7.732 -4.485 1.00 0.63 H new ATOM 0 HB2 LEU A 43 9.093 8.528 -5.045 1.00 0.82 H new ATOM 0 HB3 LEU A 43 9.794 6.935 -4.836 1.00 0.82 H new ATOM 0 HG LEU A 43 8.645 6.112 -6.824 1.00 1.11 H new ATOM 0 HD11 LEU A 43 7.381 7.613 -8.306 1.00 1.63 H new ATOM 0 HD12 LEU A 43 6.596 7.422 -6.721 1.00 1.63 H new ATOM 0 HD13 LEU A 43 7.503 8.908 -7.091 1.00 1.63 H new ATOM 0 HD21 LEU A 43 9.821 7.496 -8.509 1.00 1.86 H new ATOM 0 HD22 LEU A 43 10.058 8.766 -7.284 1.00 1.86 H new ATOM 0 HD23 LEU A 43 10.840 7.179 -7.084 1.00 1.86 H new ATOM 641 N ALA A 44 7.994 4.641 -4.094 1.00 0.50 N ATOM 642 CA ALA A 44 7.621 3.239 -4.322 1.00 0.48 C ATOM 643 C ALA A 44 6.307 2.926 -3.612 1.00 0.41 C ATOM 644 O ALA A 44 5.460 2.181 -4.105 1.00 0.47 O ATOM 645 CB ALA A 44 8.718 2.313 -3.831 1.00 0.51 C ATOM 0 H ALA A 44 8.849 4.768 -3.553 1.00 0.50 H new ATOM 0 HA ALA A 44 7.490 3.081 -5.392 1.00 0.48 H new ATOM 0 HB1 ALA A 44 8.426 1.278 -4.007 1.00 0.51 H new ATOM 0 HB2 ALA A 44 9.642 2.526 -4.369 1.00 0.51 H new ATOM 0 HB3 ALA A 44 8.875 2.469 -2.764 1.00 0.51 H new ATOM 651 N LEU A 45 6.144 3.543 -2.480 1.00 0.34 N ATOM 652 CA LEU A 45 4.971 3.407 -1.654 1.00 0.31 C ATOM 653 C LEU A 45 3.739 4.065 -2.331 1.00 0.32 C ATOM 654 O LEU A 45 2.653 3.474 -2.391 1.00 0.34 O ATOM 655 CB LEU A 45 5.293 4.038 -0.305 1.00 0.29 C ATOM 656 CG LEU A 45 4.219 4.034 0.752 1.00 0.33 C ATOM 657 CD1 LEU A 45 3.727 2.620 1.000 1.00 0.86 C ATOM 658 CD2 LEU A 45 4.795 4.625 2.021 1.00 0.86 C ATOM 0 H LEU A 45 6.843 4.176 -2.090 1.00 0.34 H new ATOM 0 HA LEU A 45 4.710 2.358 -1.514 1.00 0.31 H new ATOM 0 HB2 LEU A 45 6.165 3.527 0.103 1.00 0.29 H new ATOM 0 HB3 LEU A 45 5.584 5.074 -0.482 1.00 0.29 H new ATOM 0 HG LEU A 45 3.369 4.630 0.420 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.952 2.634 1.766 1.00 0.86 H new ATOM 0 HD12 LEU A 45 3.318 2.210 0.077 1.00 0.86 H new ATOM 0 HD13 LEU A 45 4.558 1.999 1.336 1.00 0.86 H new ATOM 0 HD21 LEU A 45 4.032 4.631 2.799 1.00 0.86 H new ATOM 0 HD22 LEU A 45 5.643 4.025 2.350 1.00 0.86 H new ATOM 0 HD23 LEU A 45 5.125 5.646 1.830 1.00 0.86 H new ATOM 670 N MET A 46 3.931 5.267 -2.853 1.00 0.35 N ATOM 671 CA MET A 46 2.904 5.999 -3.601 1.00 0.39 C ATOM 672 C MET A 46 2.508 5.226 -4.820 1.00 0.41 C ATOM 673 O MET A 46 1.341 5.097 -5.129 1.00 0.46 O ATOM 674 CB MET A 46 3.432 7.361 -4.042 1.00 0.46 C ATOM 675 CG MET A 46 3.696 8.298 -2.909 1.00 0.50 C ATOM 676 SD MET A 46 4.438 9.856 -3.433 1.00 0.85 S ATOM 677 CE MET A 46 4.454 10.749 -1.881 1.00 1.73 C ATOM 0 H MET A 46 4.813 5.773 -2.772 1.00 0.35 H new ATOM 0 HA MET A 46 2.042 6.135 -2.947 1.00 0.39 H new ATOM 0 HB2 MET A 46 4.354 7.218 -4.606 1.00 0.46 H new ATOM 0 HB3 MET A 46 2.711 7.818 -4.720 1.00 0.46 H new ATOM 0 HG2 MET A 46 2.759 8.505 -2.392 1.00 0.50 H new ATOM 0 HG3 MET A 46 4.356 7.812 -2.191 1.00 0.50 H new ATOM 0 HE1 MET A 46 4.486 11.821 -2.078 1.00 1.73 H new ATOM 0 HE2 MET A 46 3.553 10.511 -1.315 1.00 1.73 H new ATOM 0 HE3 MET A 46 5.332 10.460 -1.304 1.00 1.73 H new ATOM 687 N GLU A 47 3.496 4.700 -5.485 1.00 0.40 N ATOM 688 CA GLU A 47 3.329 3.917 -6.683 1.00 0.44 C ATOM 689 C GLU A 47 2.523 2.636 -6.372 1.00 0.42 C ATOM 690 O GLU A 47 1.674 2.209 -7.165 1.00 0.50 O ATOM 691 CB GLU A 47 4.719 3.628 -7.211 1.00 0.49 C ATOM 692 CG GLU A 47 4.790 2.928 -8.552 1.00 0.71 C ATOM 693 CD GLU A 47 4.019 3.628 -9.644 1.00 0.88 C ATOM 694 OE1 GLU A 47 4.331 4.784 -9.958 1.00 1.43 O ATOM 695 OE2 GLU A 47 3.119 3.008 -10.233 1.00 1.63 O ATOM 0 H GLU A 47 4.471 4.805 -5.203 1.00 0.40 H new ATOM 0 HA GLU A 47 2.759 4.448 -7.445 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.260 4.571 -7.287 1.00 0.49 H new ATOM 0 HB3 GLU A 47 5.245 3.017 -6.477 1.00 0.49 H new ATOM 0 HG2 GLU A 47 5.834 2.844 -8.853 1.00 0.71 H new ATOM 0 HG3 GLU A 47 4.407 1.913 -8.443 1.00 0.71 H new ATOM 702 N THR A 48 2.773 2.066 -5.204 1.00 0.38 N ATOM 703 CA THR A 48 2.009 0.933 -4.702 1.00 0.38 C ATOM 704 C THR A 48 0.541 1.342 -4.571 1.00 0.37 C ATOM 705 O THR A 48 -0.354 0.737 -5.188 1.00 0.41 O ATOM 706 CB THR A 48 2.539 0.527 -3.310 1.00 0.39 C ATOM 707 OG1 THR A 48 3.891 0.054 -3.409 1.00 0.47 O ATOM 708 CG2 THR A 48 1.650 -0.537 -2.671 1.00 0.42 C ATOM 0 H THR A 48 3.513 2.376 -4.575 1.00 0.38 H new ATOM 0 HA THR A 48 2.107 0.094 -5.391 1.00 0.38 H new ATOM 0 HB THR A 48 2.520 1.410 -2.671 1.00 0.39 H new ATOM 0 HG1 THR A 48 4.455 0.755 -3.797 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.048 -0.803 -1.692 1.00 0.42 H new ATOM 0 HG22 THR A 48 0.639 -0.146 -2.558 1.00 0.42 H new ATOM 0 HG23 THR A 48 1.628 -1.422 -3.307 1.00 0.42 H new ATOM 716 N ALA A 49 0.316 2.384 -3.775 1.00 0.35 N ATOM 717 CA ALA A 49 -1.006 2.897 -3.508 1.00 0.38 C ATOM 718 C ALA A 49 -1.724 3.255 -4.796 1.00 0.40 C ATOM 719 O ALA A 49 -2.841 2.841 -4.995 1.00 0.42 O ATOM 720 CB ALA A 49 -0.927 4.102 -2.581 1.00 0.42 C ATOM 0 H ALA A 49 1.059 2.894 -3.297 1.00 0.35 H new ATOM 0 HA ALA A 49 -1.582 2.115 -3.013 1.00 0.38 H new ATOM 0 HB1 ALA A 49 -1.931 4.479 -2.388 1.00 0.42 H new ATOM 0 HB2 ALA A 49 -0.463 3.807 -1.640 1.00 0.42 H new ATOM 0 HB3 ALA A 49 -0.330 4.884 -3.051 1.00 0.42 H new ATOM 726 N ALA A 50 -1.026 3.951 -5.689 1.00 0.43 N ATOM 727 CA ALA A 50 -1.579 4.445 -6.956 1.00 0.48 C ATOM 728 C ALA A 50 -2.171 3.334 -7.809 1.00 0.47 C ATOM 729 O ALA A 50 -3.203 3.530 -8.470 1.00 0.51 O ATOM 730 CB ALA A 50 -0.520 5.208 -7.735 1.00 0.58 C ATOM 0 H ALA A 50 -0.044 4.194 -5.555 1.00 0.43 H new ATOM 0 HA ALA A 50 -2.397 5.120 -6.705 1.00 0.48 H new ATOM 0 HB1 ALA A 50 -0.946 5.568 -8.672 1.00 0.58 H new ATOM 0 HB2 ALA A 50 -0.174 6.056 -7.144 1.00 0.58 H new ATOM 0 HB3 ALA A 50 0.321 4.548 -7.948 1.00 0.58 H new ATOM 736 N ARG A 51 -1.537 2.176 -7.779 1.00 0.46 N ATOM 737 CA ARG A 51 -2.011 1.014 -8.514 1.00 0.51 C ATOM 738 C ARG A 51 -3.366 0.587 -7.945 1.00 0.49 C ATOM 739 O ARG A 51 -4.355 0.445 -8.672 1.00 0.62 O ATOM 740 CB ARG A 51 -0.993 -0.125 -8.392 1.00 0.57 C ATOM 741 CG ARG A 51 -1.289 -1.337 -9.255 1.00 0.79 C ATOM 742 CD ARG A 51 -0.210 -2.404 -9.110 1.00 0.80 C ATOM 743 NE ARG A 51 1.139 -1.904 -9.472 1.00 1.38 N ATOM 744 CZ ARG A 51 2.102 -2.632 -10.057 1.00 1.81 C ATOM 745 NH1 ARG A 51 1.851 -3.866 -10.472 1.00 1.82 N ATOM 746 NH2 ARG A 51 3.298 -2.104 -10.258 1.00 2.77 N ATOM 0 H ARG A 51 -0.682 2.013 -7.247 1.00 0.46 H new ATOM 0 HA ARG A 51 -2.127 1.260 -9.569 1.00 0.51 H new ATOM 0 HB2 ARG A 51 -0.007 0.258 -8.654 1.00 0.57 H new ATOM 0 HB3 ARG A 51 -0.946 -0.441 -7.350 1.00 0.57 H new ATOM 0 HG2 ARG A 51 -2.256 -1.756 -8.976 1.00 0.79 H new ATOM 0 HG3 ARG A 51 -1.363 -1.032 -10.299 1.00 0.79 H new ATOM 0 HD2 ARG A 51 -0.196 -2.764 -8.081 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.459 -3.256 -9.742 1.00 0.80 H new ATOM 0 HE ARG A 51 1.351 -0.929 -9.259 1.00 1.38 H new ATOM 0 HH11 ARG A 51 0.921 -4.267 -10.347 1.00 1.82 H new ATOM 0 HH12 ARG A 51 2.587 -4.414 -10.916 1.00 1.82 H new ATOM 0 HH21 ARG A 51 3.487 -1.144 -9.968 1.00 2.77 H new ATOM 0 HH22 ARG A 51 4.031 -2.656 -10.703 1.00 2.77 H new ATOM 760 N LEU A 52 -3.408 0.469 -6.628 1.00 0.41 N ATOM 761 CA LEU A 52 -4.609 0.079 -5.907 1.00 0.40 C ATOM 762 C LEU A 52 -5.699 1.138 -6.059 1.00 0.37 C ATOM 763 O LEU A 52 -6.877 0.806 -6.264 1.00 0.41 O ATOM 764 CB LEU A 52 -4.287 -0.136 -4.424 1.00 0.39 C ATOM 765 CG LEU A 52 -3.278 -1.245 -4.102 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.965 -1.262 -2.616 1.00 0.49 C ATOM 767 CD2 LEU A 52 -3.817 -2.600 -4.541 1.00 0.56 C ATOM 0 H LEU A 52 -2.604 0.642 -6.025 1.00 0.41 H new ATOM 0 HA LEU A 52 -4.976 -0.856 -6.331 1.00 0.40 H new ATOM 0 HB2 LEU A 52 -3.907 0.801 -4.017 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.217 -0.357 -3.900 1.00 0.39 H new ATOM 0 HG LEU A 52 -2.358 -1.042 -4.650 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -2.247 -2.055 -2.404 1.00 0.49 H new ATOM 0 HD12 LEU A 52 -2.542 -0.301 -2.322 1.00 0.49 H new ATOM 0 HD13 LEU A 52 -3.881 -1.442 -2.053 1.00 0.49 H new ATOM 0 HD21 LEU A 52 -3.088 -3.375 -4.305 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -4.750 -2.807 -4.017 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -3.999 -2.588 -5.616 1.00 0.56 H new ATOM 779 N GLU A 53 -5.297 2.408 -5.983 1.00 0.37 N ATOM 780 CA GLU A 53 -6.218 3.531 -6.113 1.00 0.38 C ATOM 781 C GLU A 53 -6.904 3.499 -7.455 1.00 0.40 C ATOM 782 O GLU A 53 -8.126 3.522 -7.532 1.00 0.44 O ATOM 783 CB GLU A 53 -5.527 4.884 -5.997 1.00 0.46 C ATOM 784 CG GLU A 53 -4.731 5.168 -4.753 1.00 0.64 C ATOM 785 CD GLU A 53 -4.084 6.533 -4.851 1.00 1.43 C ATOM 786 OE1 GLU A 53 -4.787 7.534 -4.693 1.00 1.52 O ATOM 787 OE2 GLU A 53 -2.877 6.629 -5.158 1.00 2.19 O ATOM 0 H GLU A 53 -4.327 2.683 -5.830 1.00 0.37 H new ATOM 0 HA GLU A 53 -6.929 3.422 -5.294 1.00 0.38 H new ATOM 0 HB2 GLU A 53 -4.860 4.992 -6.852 1.00 0.46 H new ATOM 0 HB3 GLU A 53 -6.290 5.657 -6.089 1.00 0.46 H new ATOM 0 HG2 GLU A 53 -5.381 5.127 -3.879 1.00 0.64 H new ATOM 0 HG3 GLU A 53 -3.966 4.403 -4.618 1.00 0.64 H new ATOM 794 N SER A 54 -6.116 3.436 -8.497 1.00 0.44 N ATOM 795 CA SER A 54 -6.619 3.455 -9.839 1.00 0.51 C ATOM 796 C SER A 54 -7.497 2.247 -10.132 1.00 0.51 C ATOM 797 O SER A 54 -8.633 2.404 -10.592 1.00 0.58 O ATOM 798 CB SER A 54 -5.459 3.545 -10.813 1.00 0.61 C ATOM 799 OG SER A 54 -4.681 4.708 -10.543 1.00 1.18 O ATOM 0 H SER A 54 -5.100 3.370 -8.434 1.00 0.44 H new ATOM 0 HA SER A 54 -7.252 4.334 -9.959 1.00 0.51 H new ATOM 0 HB2 SER A 54 -4.836 2.654 -10.732 1.00 0.61 H new ATOM 0 HB3 SER A 54 -5.835 3.579 -11.836 1.00 0.61 H new ATOM 0 HG SER A 54 -4.047 4.517 -9.820 1.00 1.18 H new ATOM 805 N ARG A 55 -7.007 1.065 -9.805 1.00 0.49 N ATOM 806 CA ARG A 55 -7.731 -0.156 -10.087 1.00 0.53 C ATOM 807 C ARG A 55 -9.036 -0.276 -9.286 1.00 0.54 C ATOM 808 O ARG A 55 -10.077 -0.616 -9.846 1.00 0.67 O ATOM 809 CB ARG A 55 -6.845 -1.383 -9.869 1.00 0.60 C ATOM 810 CG ARG A 55 -7.573 -2.696 -10.067 1.00 0.76 C ATOM 811 CD ARG A 55 -6.659 -3.873 -9.879 1.00 0.93 C ATOM 812 NE ARG A 55 -7.406 -5.129 -9.878 1.00 1.46 N ATOM 813 CZ ARG A 55 -6.899 -6.318 -10.157 1.00 2.05 C ATOM 814 NH1 ARG A 55 -5.670 -6.412 -10.652 1.00 2.15 N ATOM 815 NH2 ARG A 55 -7.635 -7.414 -9.961 1.00 2.93 N ATOM 0 H ARG A 55 -6.108 0.927 -9.343 1.00 0.49 H new ATOM 0 HA ARG A 55 -8.013 -0.111 -11.139 1.00 0.53 H new ATOM 0 HB2 ARG A 55 -6.000 -1.338 -10.556 1.00 0.60 H new ATOM 0 HB3 ARG A 55 -6.437 -1.352 -8.859 1.00 0.60 H new ATOM 0 HG2 ARG A 55 -8.401 -2.763 -9.362 1.00 0.76 H new ATOM 0 HG3 ARG A 55 -8.003 -2.726 -11.068 1.00 0.76 H new ATOM 0 HD2 ARG A 55 -5.915 -3.890 -10.676 1.00 0.93 H new ATOM 0 HD3 ARG A 55 -6.117 -3.769 -8.939 1.00 0.93 H new ATOM 0 HE ARG A 55 -8.398 -5.085 -9.643 1.00 1.46 H new ATOM 0 HH11 ARG A 55 -5.120 -5.569 -10.816 1.00 2.15 H new ATOM 0 HH12 ARG A 55 -5.276 -7.328 -10.868 1.00 2.15 H new ATOM 0 HH21 ARG A 55 -8.584 -7.332 -9.597 1.00 2.93 H new ATOM 0 HH22 ARG A 55 -7.248 -8.333 -10.175 1.00 2.93 H new ATOM 829 N TYR A 56 -8.992 0.030 -8.005 1.00 0.51 N ATOM 830 CA TYR A 56 -10.158 -0.166 -7.149 1.00 0.59 C ATOM 831 C TYR A 56 -10.980 1.092 -6.934 1.00 0.64 C ATOM 832 O TYR A 56 -11.967 1.079 -6.194 1.00 0.81 O ATOM 833 CB TYR A 56 -9.764 -0.822 -5.831 1.00 0.66 C ATOM 834 CG TYR A 56 -9.284 -2.238 -6.022 1.00 0.71 C ATOM 835 CD1 TYR A 56 -10.197 -3.271 -6.154 1.00 0.89 C ATOM 836 CD2 TYR A 56 -7.927 -2.548 -6.081 1.00 0.71 C ATOM 837 CE1 TYR A 56 -9.787 -4.567 -6.341 1.00 0.99 C ATOM 838 CE2 TYR A 56 -7.507 -3.853 -6.267 1.00 0.82 C ATOM 839 CZ TYR A 56 -8.447 -4.857 -6.397 1.00 0.95 C ATOM 840 OH TYR A 56 -8.048 -6.157 -6.586 1.00 1.09 O ATOM 0 H TYR A 56 -8.173 0.412 -7.532 1.00 0.51 H new ATOM 0 HA TYR A 56 -10.818 -0.847 -7.686 1.00 0.59 H new ATOM 0 HB2 TYR A 56 -8.979 -0.235 -5.355 1.00 0.66 H new ATOM 0 HB3 TYR A 56 -10.619 -0.818 -5.155 1.00 0.66 H new ATOM 0 HD1 TYR A 56 -11.254 -3.052 -6.109 1.00 0.89 H new ATOM 0 HD2 TYR A 56 -7.195 -1.761 -5.980 1.00 0.71 H new ATOM 0 HE1 TYR A 56 -10.517 -5.356 -6.444 1.00 0.99 H new ATOM 0 HE2 TYR A 56 -6.453 -4.085 -6.310 1.00 0.82 H new ATOM 0 HH TYR A 56 -7.721 -6.525 -5.739 1.00 1.09 H new ATOM 850 N GLY A 57 -10.581 2.162 -7.567 1.00 0.59 N ATOM 851 CA GLY A 57 -11.349 3.387 -7.524 1.00 0.67 C ATOM 852 C GLY A 57 -11.297 4.100 -6.189 1.00 0.66 C ATOM 853 O GLY A 57 -12.313 4.601 -5.709 1.00 0.88 O ATOM 0 H GLY A 57 -9.727 2.215 -8.122 1.00 0.59 H new ATOM 0 HA2 GLY A 57 -10.983 4.061 -8.299 1.00 0.67 H new ATOM 0 HA3 GLY A 57 -12.388 3.161 -7.763 1.00 0.67 H new ATOM 857 N VAL A 58 -10.141 4.160 -5.587 1.00 0.49 N ATOM 858 CA VAL A 58 -10.002 4.841 -4.309 1.00 0.47 C ATOM 859 C VAL A 58 -9.028 5.987 -4.419 1.00 0.44 C ATOM 860 O VAL A 58 -8.452 6.199 -5.488 1.00 0.46 O ATOM 861 CB VAL A 58 -9.655 3.914 -3.100 1.00 0.51 C ATOM 862 CG1 VAL A 58 -10.701 2.852 -2.942 1.00 0.68 C ATOM 863 CG2 VAL A 58 -8.297 3.268 -3.239 1.00 0.64 C ATOM 0 H VAL A 58 -9.280 3.751 -5.950 1.00 0.49 H new ATOM 0 HA VAL A 58 -10.995 5.228 -4.081 1.00 0.47 H new ATOM 0 HB VAL A 58 -9.631 4.547 -2.213 1.00 0.51 H new ATOM 0 HG11 VAL A 58 -10.446 2.214 -2.096 1.00 0.68 H new ATOM 0 HG12 VAL A 58 -11.670 3.319 -2.765 1.00 0.68 H new ATOM 0 HG13 VAL A 58 -10.748 2.250 -3.850 1.00 0.68 H new ATOM 0 HG21 VAL A 58 -8.105 2.635 -2.373 1.00 0.64 H new ATOM 0 HG22 VAL A 58 -8.273 2.662 -4.144 1.00 0.64 H new ATOM 0 HG23 VAL A 58 -7.531 4.041 -3.300 1.00 0.64 H new ATOM 873 N SER A 59 -8.865 6.730 -3.360 1.00 0.46 N ATOM 874 CA SER A 59 -7.969 7.850 -3.358 1.00 0.54 C ATOM 875 C SER A 59 -7.133 7.865 -2.092 1.00 0.51 C ATOM 876 O SER A 59 -7.676 7.811 -0.973 1.00 0.66 O ATOM 877 CB SER A 59 -8.771 9.139 -3.454 1.00 0.73 C ATOM 878 OG SER A 59 -9.626 9.119 -4.591 1.00 1.33 O ATOM 0 H SER A 59 -9.349 6.576 -2.476 1.00 0.46 H new ATOM 0 HA SER A 59 -7.300 7.765 -4.215 1.00 0.54 H new ATOM 0 HB2 SER A 59 -9.365 9.271 -2.549 1.00 0.73 H new ATOM 0 HB3 SER A 59 -8.093 9.990 -3.518 1.00 0.73 H new ATOM 0 HG SER A 59 -10.134 9.956 -4.633 1.00 1.33 H new ATOM 884 N ILE A 60 -5.843 7.885 -2.271 1.00 0.47 N ATOM 885 CA ILE A 60 -4.894 8.024 -1.203 1.00 0.44 C ATOM 886 C ILE A 60 -4.152 9.329 -1.449 1.00 0.35 C ATOM 887 O ILE A 60 -3.383 9.428 -2.405 1.00 0.37 O ATOM 888 CB ILE A 60 -3.861 6.848 -1.169 1.00 0.52 C ATOM 889 CG1 ILE A 60 -4.570 5.486 -1.054 1.00 0.73 C ATOM 890 CG2 ILE A 60 -2.854 7.028 -0.031 1.00 0.50 C ATOM 891 CD1 ILE A 60 -5.457 5.345 0.162 1.00 0.61 C ATOM 0 H ILE A 60 -5.410 7.803 -3.191 1.00 0.47 H new ATOM 0 HA ILE A 60 -5.419 8.013 -0.248 1.00 0.44 H new ATOM 0 HB ILE A 60 -3.314 6.867 -2.112 1.00 0.52 H new ATOM 0 HG12 ILE A 60 -5.172 5.327 -1.948 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -3.817 4.698 -1.033 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -2.150 6.196 -0.033 1.00 0.50 H new ATOM 0 HG22 ILE A 60 -2.311 7.963 -0.170 1.00 0.50 H new ATOM 0 HG23 ILE A 60 -3.383 7.053 0.922 1.00 0.50 H new ATOM 0 HD11 ILE A 60 -5.917 4.357 0.164 1.00 0.61 H new ATOM 0 HD12 ILE A 60 -4.859 5.469 1.065 1.00 0.61 H new ATOM 0 HD13 ILE A 60 -6.236 6.107 0.135 1.00 0.61 H new ATOM 903 N PRO A 61 -4.426 10.367 -0.648 1.00 0.38 N ATOM 904 CA PRO A 61 -3.780 11.670 -0.803 1.00 0.40 C ATOM 905 C PRO A 61 -2.254 11.566 -0.741 1.00 0.34 C ATOM 906 O PRO A 61 -1.713 10.917 0.152 1.00 0.30 O ATOM 907 CB PRO A 61 -4.313 12.482 0.382 1.00 0.52 C ATOM 908 CG PRO A 61 -5.599 11.823 0.737 1.00 0.57 C ATOM 909 CD PRO A 61 -5.403 10.363 0.456 1.00 0.50 C ATOM 0 HA PRO A 61 -3.998 12.121 -1.771 1.00 0.40 H new ATOM 0 HB2 PRO A 61 -3.615 12.467 1.219 1.00 0.52 H new ATOM 0 HB3 PRO A 61 -4.464 13.527 0.111 1.00 0.52 H new ATOM 0 HG2 PRO A 61 -5.847 11.989 1.785 1.00 0.57 H new ATOM 0 HG3 PRO A 61 -6.421 12.228 0.147 1.00 0.57 H new ATOM 0 HD2 PRO A 61 -5.024 9.831 1.329 1.00 0.50 H new ATOM 0 HD3 PRO A 61 -6.336 9.878 0.168 1.00 0.50 H new ATOM 917 N ASP A 62 -1.598 12.216 -1.697 1.00 0.43 N ATOM 918 CA ASP A 62 -0.116 12.252 -1.861 1.00 0.48 C ATOM 919 C ASP A 62 0.628 12.449 -0.536 1.00 0.43 C ATOM 920 O ASP A 62 1.553 11.692 -0.211 1.00 0.47 O ATOM 921 CB ASP A 62 0.261 13.371 -2.843 1.00 0.71 C ATOM 922 CG ASP A 62 1.757 13.597 -2.975 1.00 1.29 C ATOM 923 OD1 ASP A 62 2.442 12.781 -3.644 1.00 1.64 O ATOM 924 OD2 ASP A 62 2.272 14.561 -2.402 1.00 2.10 O ATOM 0 H ASP A 62 -2.084 12.756 -2.413 1.00 0.43 H new ATOM 0 HA ASP A 62 0.190 11.281 -2.252 1.00 0.48 H new ATOM 0 HB2 ASP A 62 -0.148 13.132 -3.825 1.00 0.71 H new ATOM 0 HB3 ASP A 62 -0.209 14.299 -2.519 1.00 0.71 H new ATOM 929 N ASP A 63 0.178 13.426 0.243 1.00 0.46 N ATOM 930 CA ASP A 63 0.772 13.741 1.559 1.00 0.55 C ATOM 931 C ASP A 63 0.736 12.541 2.473 1.00 0.46 C ATOM 932 O ASP A 63 1.702 12.236 3.154 1.00 0.52 O ATOM 933 CB ASP A 63 0.028 14.893 2.248 1.00 0.78 C ATOM 934 CG ASP A 63 0.302 16.247 1.652 1.00 1.38 C ATOM 935 OD1 ASP A 63 -0.141 16.507 0.531 1.00 2.18 O ATOM 936 OD2 ASP A 63 1.006 17.066 2.276 1.00 1.57 O ATOM 0 H ASP A 63 -0.607 14.027 -0.009 1.00 0.46 H new ATOM 0 HA ASP A 63 1.805 14.034 1.373 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -1.043 14.698 2.202 1.00 0.78 H new ATOM 0 HB3 ASP A 63 0.304 14.910 3.302 1.00 0.78 H new ATOM 941 N VAL A 64 -0.369 11.833 2.429 1.00 0.42 N ATOM 942 CA VAL A 64 -0.606 10.699 3.291 1.00 0.43 C ATOM 943 C VAL A 64 0.071 9.451 2.716 1.00 0.38 C ATOM 944 O VAL A 64 0.514 8.582 3.453 1.00 0.47 O ATOM 945 CB VAL A 64 -2.123 10.432 3.457 1.00 0.51 C ATOM 946 CG1 VAL A 64 -2.381 9.356 4.501 1.00 0.60 C ATOM 947 CG2 VAL A 64 -2.869 11.711 3.817 1.00 0.58 C ATOM 0 H VAL A 64 -1.136 12.031 1.787 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.184 10.927 4.270 1.00 0.43 H new ATOM 0 HB VAL A 64 -2.499 10.074 2.499 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -3.454 9.191 4.595 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -1.896 8.429 4.195 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -1.978 9.677 5.461 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -3.931 11.494 3.927 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -2.480 12.107 4.755 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -2.730 12.448 3.026 1.00 0.58 H new ATOM 957 N ALA A 65 0.172 9.395 1.401 1.00 0.31 N ATOM 958 CA ALA A 65 0.818 8.286 0.705 1.00 0.35 C ATOM 959 C ALA A 65 2.299 8.231 1.058 1.00 0.43 C ATOM 960 O ALA A 65 2.901 7.174 1.088 1.00 0.53 O ATOM 961 CB ALA A 65 0.624 8.411 -0.797 1.00 0.40 C ATOM 0 H ALA A 65 -0.191 10.117 0.779 1.00 0.31 H new ATOM 0 HA ALA A 65 0.353 7.355 1.029 1.00 0.35 H new ATOM 0 HB1 ALA A 65 1.113 7.575 -1.298 1.00 0.40 H new ATOM 0 HB2 ALA A 65 -0.441 8.400 -1.028 1.00 0.40 H new ATOM 0 HB3 ALA A 65 1.061 9.347 -1.144 1.00 0.40 H new ATOM 967 N GLY A 66 2.861 9.384 1.349 1.00 0.48 N ATOM 968 CA GLY A 66 4.229 9.453 1.800 1.00 0.61 C ATOM 969 C GLY A 66 4.287 9.640 3.299 1.00 0.63 C ATOM 970 O GLY A 66 5.233 10.208 3.828 1.00 0.88 O ATOM 0 H GLY A 66 2.389 10.286 1.280 1.00 0.48 H new ATOM 0 HA2 GLY A 66 4.756 8.540 1.521 1.00 0.61 H new ATOM 0 HA3 GLY A 66 4.739 10.279 1.305 1.00 0.61 H new ATOM 974 N ARG A 67 3.246 9.188 3.973 1.00 0.56 N ATOM 975 CA ARG A 67 3.132 9.312 5.416 1.00 0.63 C ATOM 976 C ARG A 67 2.633 7.978 6.024 1.00 0.51 C ATOM 977 O ARG A 67 2.364 7.885 7.215 1.00 0.69 O ATOM 978 CB ARG A 67 2.160 10.476 5.741 1.00 0.84 C ATOM 979 CG ARG A 67 1.951 10.796 7.216 1.00 1.49 C ATOM 980 CD ARG A 67 0.921 11.901 7.394 1.00 2.24 C ATOM 981 NE ARG A 67 0.556 12.083 8.802 1.00 2.85 N ATOM 982 CZ ARG A 67 -0.470 12.823 9.250 1.00 3.81 C ATOM 983 NH1 ARG A 67 -1.129 13.650 8.441 1.00 4.32 N ATOM 984 NH2 ARG A 67 -0.777 12.800 10.534 1.00 4.63 N ATOM 0 H ARG A 67 2.452 8.722 3.534 1.00 0.56 H new ATOM 0 HA ARG A 67 4.106 9.532 5.854 1.00 0.63 H new ATOM 0 HB2 ARG A 67 2.527 11.375 5.246 1.00 0.84 H new ATOM 0 HB3 ARG A 67 1.190 10.243 5.302 1.00 0.84 H new ATOM 0 HG2 ARG A 67 1.623 9.900 7.743 1.00 1.49 H new ATOM 0 HG3 ARG A 67 2.897 11.101 7.663 1.00 1.49 H new ATOM 0 HD2 ARG A 67 1.318 12.835 6.998 1.00 2.24 H new ATOM 0 HD3 ARG A 67 0.029 11.663 6.815 1.00 2.24 H new ATOM 0 HE ARG A 67 1.129 11.608 9.499 1.00 2.85 H new ATOM 0 HH11 ARG A 67 -0.857 13.730 7.461 1.00 4.32 H new ATOM 0 HH12 ARG A 67 -1.906 14.204 8.801 1.00 4.32 H new ATOM 0 HH21 ARG A 67 -0.236 12.223 11.178 1.00 4.63 H new ATOM 0 HH22 ARG A 67 -1.555 13.360 10.882 1.00 4.63 H new ATOM 998 N VAL A 68 2.506 6.954 5.206 1.00 0.39 N ATOM 999 CA VAL A 68 2.067 5.637 5.682 1.00 0.37 C ATOM 1000 C VAL A 68 3.278 4.720 5.906 1.00 0.38 C ATOM 1001 O VAL A 68 3.767 4.104 4.991 1.00 0.58 O ATOM 1002 CB VAL A 68 1.021 4.966 4.708 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -0.290 5.700 4.778 1.00 0.50 C ATOM 1004 CG2 VAL A 68 1.497 4.929 3.253 1.00 0.42 C ATOM 0 H VAL A 68 2.698 6.998 4.205 1.00 0.39 H new ATOM 0 HA VAL A 68 1.558 5.786 6.634 1.00 0.37 H new ATOM 0 HB VAL A 68 0.903 3.935 5.041 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.006 5.231 4.103 1.00 0.50 H new ATOM 0 HG12 VAL A 68 -0.674 5.663 5.797 1.00 0.50 H new ATOM 0 HG13 VAL A 68 -0.141 6.739 4.484 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.735 4.456 2.633 1.00 0.42 H new ATOM 0 HG22 VAL A 68 1.672 5.946 2.901 1.00 0.42 H new ATOM 0 HG23 VAL A 68 2.423 4.358 3.188 1.00 0.42 H new ATOM 1014 N ASP A 69 3.802 4.695 7.119 1.00 0.43 N ATOM 1015 CA ASP A 69 5.020 3.907 7.389 1.00 0.52 C ATOM 1016 C ASP A 69 4.698 2.427 7.521 1.00 0.35 C ATOM 1017 O ASP A 69 5.556 1.578 7.362 1.00 0.33 O ATOM 1018 CB ASP A 69 5.765 4.411 8.637 1.00 0.81 C ATOM 1019 CG ASP A 69 7.133 3.752 8.837 1.00 1.27 C ATOM 1020 OD1 ASP A 69 7.810 3.417 7.823 1.00 1.49 O ATOM 1021 OD2 ASP A 69 7.545 3.530 10.001 1.00 2.03 O ATOM 0 H ASP A 69 3.424 5.194 7.924 1.00 0.43 H new ATOM 0 HA ASP A 69 5.682 4.041 6.533 1.00 0.52 H new ATOM 0 HB2 ASP A 69 5.898 5.490 8.561 1.00 0.81 H new ATOM 0 HB3 ASP A 69 5.149 4.227 9.517 1.00 0.81 H new ATOM 1026 N THR A 70 3.474 2.111 7.817 1.00 0.32 N ATOM 1027 CA THR A 70 3.088 0.729 7.920 1.00 0.27 C ATOM 1028 C THR A 70 1.999 0.386 6.886 1.00 0.25 C ATOM 1029 O THR A 70 1.155 1.237 6.564 1.00 0.28 O ATOM 1030 CB THR A 70 2.618 0.387 9.359 1.00 0.35 C ATOM 1031 OG1 THR A 70 1.522 1.218 9.744 1.00 0.46 O ATOM 1032 CG2 THR A 70 3.749 0.592 10.348 1.00 0.41 C ATOM 0 H THR A 70 2.727 2.783 7.991 1.00 0.32 H new ATOM 0 HA THR A 70 3.964 0.118 7.702 1.00 0.27 H new ATOM 0 HB THR A 70 2.305 -0.657 9.365 1.00 0.35 H new ATOM 0 HG1 THR A 70 1.801 2.157 9.723 1.00 0.46 H new ATOM 0 HG21 THR A 70 3.403 0.348 11.352 1.00 0.41 H new ATOM 0 HG22 THR A 70 4.585 -0.056 10.085 1.00 0.41 H new ATOM 0 HG23 THR A 70 4.074 1.632 10.319 1.00 0.41 H new ATOM 1040 N PRO A 71 2.012 -0.857 6.325 1.00 0.26 N ATOM 1041 CA PRO A 71 1.002 -1.309 5.347 1.00 0.27 C ATOM 1042 C PRO A 71 -0.397 -1.276 5.945 1.00 0.25 C ATOM 1043 O PRO A 71 -1.394 -1.104 5.231 1.00 0.27 O ATOM 1044 CB PRO A 71 1.417 -2.755 5.046 1.00 0.33 C ATOM 1045 CG PRO A 71 2.856 -2.810 5.394 1.00 0.37 C ATOM 1046 CD PRO A 71 3.027 -1.895 6.566 1.00 0.31 C ATOM 0 HA PRO A 71 0.966 -0.675 4.461 1.00 0.27 H new ATOM 0 HB2 PRO A 71 0.839 -3.465 5.637 1.00 0.33 H new ATOM 0 HB3 PRO A 71 1.253 -3.005 3.998 1.00 0.33 H new ATOM 0 HG2 PRO A 71 3.159 -3.827 5.644 1.00 0.37 H new ATOM 0 HG3 PRO A 71 3.474 -2.490 4.555 1.00 0.37 H new ATOM 0 HD2 PRO A 71 2.859 -2.413 7.510 1.00 0.31 H new ATOM 0 HD3 PRO A 71 4.032 -1.475 6.607 1.00 0.31 H new ATOM 1054 N ARG A 72 -0.438 -1.424 7.270 1.00 0.24 N ATOM 1055 CA ARG A 72 -1.642 -1.342 8.077 1.00 0.28 C ATOM 1056 C ARG A 72 -2.380 -0.041 7.750 1.00 0.27 C ATOM 1057 O ARG A 72 -3.573 -0.042 7.477 1.00 0.34 O ATOM 1058 CB ARG A 72 -1.229 -1.310 9.554 1.00 0.39 C ATOM 1059 CG ARG A 72 -2.378 -1.378 10.542 1.00 0.80 C ATOM 1060 CD ARG A 72 -2.882 -2.795 10.719 1.00 1.03 C ATOM 1061 NE ARG A 72 -1.915 -3.624 11.454 1.00 1.35 N ATOM 1062 CZ ARG A 72 -2.149 -4.858 11.908 1.00 2.07 C ATOM 1063 NH1 ARG A 72 -3.273 -5.501 11.596 1.00 2.71 N ATOM 1064 NH2 ARG A 72 -1.252 -5.462 12.677 1.00 2.59 N ATOM 0 H ARG A 72 0.398 -1.610 7.823 1.00 0.24 H new ATOM 0 HA ARG A 72 -2.289 -2.196 7.874 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.555 -2.145 9.745 1.00 0.39 H new ATOM 0 HB3 ARG A 72 -0.665 -0.396 9.738 1.00 0.39 H new ATOM 0 HG2 ARG A 72 -2.053 -0.984 11.505 1.00 0.80 H new ATOM 0 HG3 ARG A 72 -3.193 -0.742 10.196 1.00 0.80 H new ATOM 0 HD2 ARG A 72 -3.831 -2.780 11.255 1.00 1.03 H new ATOM 0 HD3 ARG A 72 -3.074 -3.238 9.742 1.00 1.03 H new ATOM 0 HE ARG A 72 -0.993 -3.225 11.631 1.00 1.35 H new ATOM 0 HH11 ARG A 72 -3.970 -5.051 11.002 1.00 2.71 H new ATOM 0 HH12 ARG A 72 -3.437 -6.443 11.951 1.00 2.71 H new ATOM 0 HH21 ARG A 72 -0.385 -4.984 12.921 1.00 2.59 H new ATOM 0 HH22 ARG A 72 -1.430 -6.404 13.024 1.00 2.59 H new ATOM 1078 N GLU A 73 -1.619 1.044 7.721 1.00 0.24 N ATOM 1079 CA GLU A 73 -2.131 2.382 7.468 1.00 0.28 C ATOM 1080 C GLU A 73 -2.696 2.517 6.061 1.00 0.25 C ATOM 1081 O GLU A 73 -3.792 3.033 5.882 1.00 0.26 O ATOM 1082 CB GLU A 73 -1.022 3.396 7.672 1.00 0.34 C ATOM 1083 CG GLU A 73 -0.511 3.473 9.085 1.00 0.46 C ATOM 1084 CD GLU A 73 0.698 4.348 9.186 1.00 1.12 C ATOM 1085 OE1 GLU A 73 0.556 5.581 9.207 1.00 1.36 O ATOM 1086 OE2 GLU A 73 1.824 3.817 9.212 1.00 1.97 O ATOM 0 H GLU A 73 -0.611 1.018 7.875 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.943 2.567 8.171 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.192 3.149 7.010 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.385 4.380 7.374 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -1.296 3.859 9.736 1.00 0.46 H new ATOM 0 HG3 GLU A 73 -0.267 2.472 9.439 1.00 0.46 H new ATOM 1093 N LEU A 74 -1.950 2.028 5.066 1.00 0.24 N ATOM 1094 CA LEU A 74 -2.365 2.130 3.655 1.00 0.25 C ATOM 1095 C LEU A 74 -3.666 1.343 3.469 1.00 0.25 C ATOM 1096 O LEU A 74 -4.617 1.814 2.831 1.00 0.26 O ATOM 1097 CB LEU A 74 -1.256 1.560 2.736 1.00 0.28 C ATOM 1098 CG LEU A 74 -1.117 2.153 1.308 1.00 0.35 C ATOM 1099 CD1 LEU A 74 0.106 1.572 0.620 1.00 0.93 C ATOM 1100 CD2 LEU A 74 -2.353 1.892 0.453 1.00 0.88 C ATOM 0 H LEU A 74 -1.056 1.557 5.206 1.00 0.24 H new ATOM 0 HA LEU A 74 -2.528 3.174 3.389 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -0.301 1.689 3.246 1.00 0.28 H new ATOM 0 HB3 LEU A 74 -1.423 0.487 2.637 1.00 0.28 H new ATOM 0 HG LEU A 74 -1.008 3.232 1.416 1.00 0.35 H new ATOM 0 HD11 LEU A 74 0.195 1.994 -0.381 1.00 0.93 H new ATOM 0 HD12 LEU A 74 0.998 1.815 1.197 1.00 0.93 H new ATOM 0 HD13 LEU A 74 0.004 0.489 0.550 1.00 0.93 H new ATOM 0 HD21 LEU A 74 -2.209 2.325 -0.537 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.510 0.817 0.359 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -3.224 2.346 0.925 1.00 0.88 H new ATOM 1112 N LEU A 75 -3.711 0.172 4.074 1.00 0.26 N ATOM 1113 CA LEU A 75 -4.876 -0.678 4.016 1.00 0.29 C ATOM 1114 C LEU A 75 -6.054 -0.009 4.722 1.00 0.29 C ATOM 1115 O LEU A 75 -7.163 -0.025 4.214 1.00 0.33 O ATOM 1116 CB LEU A 75 -4.568 -2.052 4.636 1.00 0.34 C ATOM 1117 CG LEU A 75 -5.720 -3.063 4.664 1.00 0.40 C ATOM 1118 CD1 LEU A 75 -6.246 -3.333 3.259 1.00 0.50 C ATOM 1119 CD2 LEU A 75 -5.267 -4.359 5.322 1.00 0.45 C ATOM 0 H LEU A 75 -2.939 -0.214 4.618 1.00 0.26 H new ATOM 0 HA LEU A 75 -5.148 -0.832 2.972 1.00 0.29 H new ATOM 0 HB2 LEU A 75 -3.738 -2.496 4.087 1.00 0.34 H new ATOM 0 HB3 LEU A 75 -4.226 -1.896 5.659 1.00 0.34 H new ATOM 0 HG LEU A 75 -6.534 -2.637 5.251 1.00 0.40 H new ATOM 0 HD11 LEU A 75 -7.062 -4.054 3.308 1.00 0.50 H new ATOM 0 HD12 LEU A 75 -6.609 -2.403 2.821 1.00 0.50 H new ATOM 0 HD13 LEU A 75 -5.443 -3.736 2.641 1.00 0.50 H new ATOM 0 HD21 LEU A 75 -6.094 -5.069 5.336 1.00 0.45 H new ATOM 0 HD22 LEU A 75 -4.435 -4.782 4.758 1.00 0.45 H new ATOM 0 HD23 LEU A 75 -4.947 -4.156 6.344 1.00 0.45 H new ATOM 1131 N ASP A 76 -5.784 0.620 5.856 1.00 0.28 N ATOM 1132 CA ASP A 76 -6.811 1.316 6.653 1.00 0.32 C ATOM 1133 C ASP A 76 -7.379 2.489 5.878 1.00 0.29 C ATOM 1134 O ASP A 76 -8.590 2.754 5.908 1.00 0.33 O ATOM 1135 CB ASP A 76 -6.229 1.789 7.989 1.00 0.37 C ATOM 1136 CG ASP A 76 -7.208 2.593 8.820 1.00 0.47 C ATOM 1137 OD1 ASP A 76 -8.097 1.988 9.460 1.00 0.60 O ATOM 1138 OD2 ASP A 76 -7.132 3.844 8.820 1.00 0.54 O ATOM 0 H ASP A 76 -4.848 0.668 6.259 1.00 0.28 H new ATOM 0 HA ASP A 76 -7.619 0.614 6.860 1.00 0.32 H new ATOM 0 HB2 ASP A 76 -5.904 0.921 8.563 1.00 0.37 H new ATOM 0 HB3 ASP A 76 -5.343 2.395 7.797 1.00 0.37 H new ATOM 1143 N LEU A 77 -6.506 3.172 5.163 1.00 0.24 N ATOM 1144 CA LEU A 77 -6.900 4.266 4.295 1.00 0.24 C ATOM 1145 C LEU A 77 -7.873 3.772 3.236 1.00 0.24 C ATOM 1146 O LEU A 77 -8.949 4.339 3.046 1.00 0.28 O ATOM 1147 CB LEU A 77 -5.686 4.873 3.605 1.00 0.27 C ATOM 1148 CG LEU A 77 -4.692 5.648 4.457 1.00 0.33 C ATOM 1149 CD1 LEU A 77 -3.570 6.148 3.573 1.00 0.43 C ATOM 1150 CD2 LEU A 77 -5.382 6.814 5.154 1.00 0.44 C ATOM 0 H LEU A 77 -5.503 2.984 5.167 1.00 0.24 H new ATOM 0 HA LEU A 77 -7.380 5.026 4.911 1.00 0.24 H new ATOM 0 HB2 LEU A 77 -5.144 4.066 3.112 1.00 0.27 H new ATOM 0 HB3 LEU A 77 -6.046 5.541 2.822 1.00 0.27 H new ATOM 0 HG LEU A 77 -4.284 4.992 5.226 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -2.853 6.705 4.176 1.00 0.43 H new ATOM 0 HD12 LEU A 77 -3.070 5.300 3.105 1.00 0.43 H new ATOM 0 HD13 LEU A 77 -3.978 6.800 2.801 1.00 0.43 H new ATOM 0 HD21 LEU A 77 -4.656 7.357 5.759 1.00 0.44 H new ATOM 0 HD22 LEU A 77 -5.806 7.485 4.407 1.00 0.44 H new ATOM 0 HD23 LEU A 77 -6.178 6.435 5.795 1.00 0.44 H new ATOM 1162 N ILE A 78 -7.511 2.689 2.573 1.00 0.23 N ATOM 1163 CA ILE A 78 -8.355 2.129 1.548 1.00 0.25 C ATOM 1164 C ILE A 78 -9.611 1.496 2.145 1.00 0.29 C ATOM 1165 O ILE A 78 -10.662 1.510 1.528 1.00 0.32 O ATOM 1166 CB ILE A 78 -7.588 1.177 0.584 1.00 0.27 C ATOM 1167 CG1 ILE A 78 -6.556 1.998 -0.206 1.00 0.28 C ATOM 1168 CG2 ILE A 78 -8.538 0.441 -0.364 1.00 0.41 C ATOM 1169 CD1 ILE A 78 -5.870 1.258 -1.326 1.00 0.32 C ATOM 0 H ILE A 78 -6.639 2.184 2.730 1.00 0.23 H new ATOM 0 HA ILE A 78 -8.688 2.956 0.921 1.00 0.25 H new ATOM 0 HB ILE A 78 -7.081 0.414 1.174 1.00 0.27 H new ATOM 0 HG12 ILE A 78 -7.054 2.874 -0.622 1.00 0.28 H new ATOM 0 HG13 ILE A 78 -5.797 2.361 0.487 1.00 0.28 H new ATOM 0 HG21 ILE A 78 -7.963 -0.213 -1.020 1.00 0.41 H new ATOM 0 HG22 ILE A 78 -9.242 -0.155 0.217 1.00 0.41 H new ATOM 0 HG23 ILE A 78 -9.087 1.166 -0.965 1.00 0.41 H new ATOM 0 HD11 ILE A 78 -5.162 1.923 -1.821 1.00 0.32 H new ATOM 0 HD12 ILE A 78 -5.338 0.397 -0.921 1.00 0.32 H new ATOM 0 HD13 ILE A 78 -6.614 0.918 -2.047 1.00 0.32 H new ATOM 1181 N ASN A 79 -9.503 0.993 3.367 1.00 0.33 N ATOM 1182 CA ASN A 79 -10.675 0.504 4.116 1.00 0.41 C ATOM 1183 C ASN A 79 -11.729 1.594 4.206 1.00 0.41 C ATOM 1184 O ASN A 79 -12.904 1.360 3.933 1.00 0.53 O ATOM 1185 CB ASN A 79 -10.315 0.036 5.548 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.886 -1.425 5.679 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -10.152 -2.055 6.700 1.00 1.20 O ATOM 1188 ND2 ASN A 79 -9.202 -1.970 4.705 1.00 0.71 N ATOM 0 H ASN A 79 -8.619 0.909 3.870 1.00 0.33 H new ATOM 0 HA ASN A 79 -11.059 -0.356 3.568 1.00 0.41 H new ATOM 0 HB2 ASN A 79 -9.510 0.667 5.925 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -11.178 0.201 6.192 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -8.880 -2.934 4.786 1.00 0.71 H new ATOM 0 HD22 ASN A 79 -8.991 -1.430 3.865 1.00 0.71 H new ATOM 1195 N GLY A 80 -11.299 2.789 4.562 1.00 0.39 N ATOM 1196 CA GLY A 80 -12.205 3.911 4.659 1.00 0.45 C ATOM 1197 C GLY A 80 -12.669 4.389 3.296 1.00 0.43 C ATOM 1198 O GLY A 80 -13.836 4.700 3.109 1.00 0.55 O ATOM 0 H GLY A 80 -10.328 3.005 4.788 1.00 0.39 H new ATOM 0 HA2 GLY A 80 -13.071 3.627 5.257 1.00 0.45 H new ATOM 0 HA3 GLY A 80 -11.712 4.731 5.182 1.00 0.45 H new ATOM 1202 N ALA A 81 -11.765 4.387 2.337 1.00 0.34 N ATOM 1203 CA ALA A 81 -12.053 4.871 0.998 1.00 0.36 C ATOM 1204 C ALA A 81 -13.059 3.970 0.296 1.00 0.34 C ATOM 1205 O ALA A 81 -13.995 4.448 -0.342 1.00 0.42 O ATOM 1206 CB ALA A 81 -10.773 4.992 0.190 1.00 0.38 C ATOM 0 H ALA A 81 -10.810 4.051 2.462 1.00 0.34 H new ATOM 0 HA ALA A 81 -12.499 5.862 1.082 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -11.007 5.356 -0.810 1.00 0.38 H new ATOM 0 HB2 ALA A 81 -10.097 5.692 0.682 1.00 0.38 H new ATOM 0 HB3 ALA A 81 -10.294 4.015 0.118 1.00 0.38 H new ATOM 1212 N LEU A 82 -12.877 2.674 0.439 1.00 0.29 N ATOM 1213 CA LEU A 82 -13.780 1.691 -0.135 1.00 0.31 C ATOM 1214 C LEU A 82 -15.147 1.726 0.544 1.00 0.40 C ATOM 1215 O LEU A 82 -16.165 1.467 -0.086 1.00 0.53 O ATOM 1216 CB LEU A 82 -13.180 0.278 -0.065 1.00 0.33 C ATOM 1217 CG LEU A 82 -12.088 -0.086 -1.100 1.00 0.36 C ATOM 1218 CD1 LEU A 82 -11.572 -1.489 -0.835 1.00 0.47 C ATOM 1219 CD2 LEU A 82 -12.662 -0.015 -2.508 1.00 0.41 C ATOM 0 H LEU A 82 -12.098 2.269 0.957 1.00 0.29 H new ATOM 0 HA LEU A 82 -13.918 1.952 -1.184 1.00 0.31 H new ATOM 0 HB2 LEU A 82 -12.759 0.140 0.931 1.00 0.33 H new ATOM 0 HB3 LEU A 82 -13.994 -0.439 -0.169 1.00 0.33 H new ATOM 0 HG LEU A 82 -11.266 0.625 -1.009 1.00 0.36 H new ATOM 0 HD11 LEU A 82 -10.804 -1.738 -1.567 1.00 0.47 H new ATOM 0 HD12 LEU A 82 -11.147 -1.537 0.168 1.00 0.47 H new ATOM 0 HD13 LEU A 82 -12.394 -2.200 -0.915 1.00 0.47 H new ATOM 0 HD21 LEU A 82 -11.887 -0.272 -3.230 1.00 0.41 H new ATOM 0 HD22 LEU A 82 -13.491 -0.717 -2.599 1.00 0.41 H new ATOM 0 HD23 LEU A 82 -13.020 0.996 -2.705 1.00 0.41 H new ATOM 1231 N ALA A 83 -15.166 2.076 1.817 1.00 0.44 N ATOM 1232 CA ALA A 83 -16.410 2.153 2.557 1.00 0.56 C ATOM 1233 C ALA A 83 -17.234 3.368 2.110 1.00 0.67 C ATOM 1234 O ALA A 83 -18.462 3.300 1.989 1.00 0.80 O ATOM 1235 CB ALA A 83 -16.139 2.200 4.048 1.00 0.67 C ATOM 0 H ALA A 83 -14.334 2.311 2.359 1.00 0.44 H new ATOM 0 HA ALA A 83 -16.993 1.256 2.345 1.00 0.56 H new ATOM 0 HB1 ALA A 83 -17.084 2.258 4.588 1.00 0.67 H new ATOM 0 HB2 ALA A 83 -15.603 1.300 4.349 1.00 0.67 H new ATOM 0 HB3 ALA A 83 -15.534 3.077 4.280 1.00 0.67 H new ATOM 1241 N GLU A 84 -16.545 4.465 1.781 1.00 0.78 N ATOM 1242 CA GLU A 84 -17.215 5.696 1.344 1.00 1.04 C ATOM 1243 C GLU A 84 -17.714 5.596 -0.092 1.00 1.08 C ATOM 1244 O GLU A 84 -18.266 6.559 -0.647 1.00 1.41 O ATOM 1245 CB GLU A 84 -16.330 6.928 1.499 1.00 1.29 C ATOM 1246 CG GLU A 84 -15.860 7.180 2.910 1.00 1.69 C ATOM 1247 CD GLU A 84 -15.316 8.565 3.090 1.00 2.22 C ATOM 1248 OE1 GLU A 84 -14.403 8.974 2.348 1.00 3.00 O ATOM 1249 OE2 GLU A 84 -15.830 9.299 3.964 1.00 2.44 O ATOM 0 H GLU A 84 -15.527 4.527 1.808 1.00 0.78 H new ATOM 0 HA GLU A 84 -18.075 5.813 2.003 1.00 1.04 H new ATOM 0 HB2 GLU A 84 -15.459 6.819 0.852 1.00 1.29 H new ATOM 0 HB3 GLU A 84 -16.879 7.802 1.150 1.00 1.29 H new ATOM 0 HG2 GLU A 84 -16.690 7.026 3.600 1.00 1.69 H new ATOM 0 HG3 GLU A 84 -15.090 6.453 3.169 1.00 1.69 H new