USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 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 Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 17 SER OG : rot 96:sc= 1.16 USER MOD Single : A 40 TYR OH : rot -134:sc= 0.286 USER MOD Single : A 42 SER OG : rot 180:sc= -0.154 USER MOD Single : A 46 MET CE :methyl 138:sc= -0.176 (180deg=-0.841) USER MOD Single : A 48 THR OG1 : rot 85:sc= 1.3 USER MOD Single : A 54 SER OG : rot 79:sc= 0.00275 USER MOD Single : A 56 TYR OH : rot -102:sc= 0.891 USER MOD Single : A 59 SER OG : rot 39:sc= 0.047 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 79 ASN : amide:sc= 0.86 K(o=0.86,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.747 -10.498 -0.644 1.00 1.02 N ATOM 45 CA LEU A 4 10.967 -9.368 -1.079 1.00 0.89 C ATOM 46 C LEU A 4 9.561 -9.467 -0.528 1.00 0.82 C ATOM 47 O LEU A 4 9.116 -10.550 -0.135 1.00 1.00 O ATOM 48 CB LEU A 4 10.943 -9.285 -2.613 1.00 0.93 C ATOM 49 CG LEU A 4 12.302 -9.104 -3.304 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.131 -9.058 -4.810 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.999 -7.840 -2.812 1.00 1.09 C ATOM 0 HA LEU A 4 11.429 -8.457 -0.699 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.481 -10.194 -2.998 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.299 -8.454 -2.901 1.00 0.93 H new ATOM 0 HG LEU A 4 12.927 -9.960 -3.049 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.105 -8.929 -5.283 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.681 -9.989 -5.154 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.484 -8.222 -5.077 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.959 -7.734 -3.316 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.377 -6.972 -3.031 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.160 -7.909 -1.736 1.00 1.09 H new ATOM 63 N LEU A 5 8.875 -8.363 -0.509 1.00 0.69 N ATOM 64 CA LEU A 5 7.541 -8.302 0.016 1.00 0.62 C ATOM 65 C LEU A 5 6.594 -8.739 -1.109 1.00 0.51 C ATOM 66 O LEU A 5 6.729 -8.279 -2.263 1.00 0.50 O ATOM 67 CB LEU A 5 7.274 -6.855 0.509 1.00 0.64 C ATOM 68 CG LEU A 5 6.052 -6.597 1.411 1.00 0.71 C ATOM 69 CD1 LEU A 5 6.178 -5.244 2.070 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.781 -6.611 0.615 1.00 1.01 C ATOM 0 H LEU A 5 9.227 -7.472 -0.860 1.00 0.69 H new ATOM 0 HA LEU A 5 7.388 -8.963 0.869 1.00 0.62 H new ATOM 0 HB2 LEU A 5 8.160 -6.520 1.048 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.177 -6.218 -0.370 1.00 0.64 H new ATOM 0 HG LEU A 5 6.020 -7.389 2.160 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.311 -5.067 2.707 1.00 1.14 H new ATOM 0 HD12 LEU A 5 7.084 -5.217 2.675 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.230 -4.470 1.304 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.935 -6.426 1.277 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.821 -5.834 -0.148 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.662 -7.583 0.137 1.00 1.01 H new ATOM 82 N THR A 6 5.687 -9.640 -0.806 1.00 0.53 N ATOM 83 CA THR A 6 4.811 -10.179 -1.814 1.00 0.54 C ATOM 84 C THR A 6 3.432 -9.519 -1.823 1.00 0.47 C ATOM 85 O THR A 6 3.088 -8.752 -0.918 1.00 0.45 O ATOM 86 CB THR A 6 4.660 -11.707 -1.671 1.00 0.74 C ATOM 87 OG1 THR A 6 4.258 -12.020 -0.329 1.00 0.84 O ATOM 88 CG2 THR A 6 5.970 -12.415 -1.992 1.00 1.01 C ATOM 0 H THR A 6 5.539 -10.013 0.132 1.00 0.53 H new ATOM 0 HA THR A 6 5.286 -9.955 -2.769 1.00 0.54 H new ATOM 0 HB THR A 6 3.903 -12.051 -2.376 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.159 -12.990 -0.235 1.00 0.84 H new ATOM 0 HG21 THR A 6 5.838 -13.492 -1.884 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.266 -12.187 -3.016 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.745 -12.074 -1.306 1.00 1.01 H new ATOM 96 N THR A 7 2.657 -9.853 -2.841 1.00 0.53 N ATOM 97 CA THR A 7 1.304 -9.375 -3.030 1.00 0.55 C ATOM 98 C THR A 7 0.451 -9.653 -1.772 1.00 0.49 C ATOM 99 O THR A 7 -0.222 -8.762 -1.263 1.00 0.47 O ATOM 100 CB THR A 7 0.683 -10.073 -4.271 1.00 0.73 C ATOM 101 OG1 THR A 7 1.540 -9.871 -5.431 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.703 -9.510 -4.576 1.00 0.95 C ATOM 0 H THR A 7 2.965 -10.485 -3.580 1.00 0.53 H new ATOM 0 HA THR A 7 1.323 -8.298 -3.194 1.00 0.55 H new ATOM 0 HB THR A 7 0.594 -11.137 -4.052 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.145 -10.314 -6.211 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.117 -10.015 -5.449 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.358 -9.671 -3.720 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.625 -8.442 -4.778 1.00 0.95 H new ATOM 110 N ASP A 8 0.511 -10.885 -1.280 1.00 0.57 N ATOM 111 CA ASP A 8 -0.241 -11.293 -0.084 1.00 0.61 C ATOM 112 C ASP A 8 0.204 -10.554 1.148 1.00 0.54 C ATOM 113 O ASP A 8 -0.624 -10.139 1.955 1.00 0.53 O ATOM 114 CB ASP A 8 -0.161 -12.800 0.170 1.00 0.81 C ATOM 115 CG ASP A 8 -0.965 -13.597 -0.809 1.00 1.41 C ATOM 116 OD1 ASP A 8 -2.181 -13.709 -0.637 1.00 1.86 O ATOM 117 OD2 ASP A 8 -0.406 -14.106 -1.792 1.00 2.14 O ATOM 0 H ASP A 8 1.076 -11.629 -1.690 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.279 -11.032 -0.291 1.00 0.61 H new ATOM 0 HB2 ASP A 8 0.881 -13.117 0.121 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.512 -13.013 1.180 1.00 0.81 H new ATOM 122 N ASP A 9 1.504 -10.350 1.281 1.00 0.55 N ATOM 123 CA ASP A 9 2.061 -9.657 2.453 1.00 0.57 C ATOM 124 C ASP A 9 1.586 -8.221 2.448 1.00 0.50 C ATOM 125 O ASP A 9 1.134 -7.693 3.470 1.00 0.57 O ATOM 126 CB ASP A 9 3.588 -9.667 2.421 1.00 0.65 C ATOM 127 CG ASP A 9 4.210 -9.239 3.743 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.089 -8.037 4.096 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.809 -10.074 4.451 1.00 1.61 O ATOM 0 H ASP A 9 2.200 -10.650 0.599 1.00 0.55 H new ATOM 0 HA ASP A 9 1.725 -10.174 3.352 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.935 -10.669 2.170 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.934 -9.002 1.630 1.00 0.65 H new ATOM 134 N LEU A 10 1.625 -7.627 1.263 1.00 0.43 N ATOM 135 CA LEU A 10 1.195 -6.264 1.055 1.00 0.43 C ATOM 136 C LEU A 10 -0.285 -6.189 1.355 1.00 0.41 C ATOM 137 O LEU A 10 -0.730 -5.327 2.107 1.00 0.47 O ATOM 138 CB LEU A 10 1.450 -5.859 -0.410 1.00 0.46 C ATOM 139 CG LEU A 10 1.214 -4.391 -0.775 1.00 0.57 C ATOM 140 CD1 LEU A 10 2.223 -3.493 -0.073 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.276 -4.198 -2.281 1.00 0.79 C ATOM 0 H LEU A 10 1.960 -8.087 0.416 1.00 0.43 H new ATOM 0 HA LEU A 10 1.748 -5.587 1.707 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.482 -6.108 -0.656 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.814 -6.473 -1.047 1.00 0.46 H new ATOM 0 HG LEU A 10 0.217 -4.110 -0.436 1.00 0.57 H new ATOM 0 HD11 LEU A 10 2.037 -2.454 -0.346 1.00 0.88 H new ATOM 0 HD12 LEU A 10 2.123 -3.608 1.006 1.00 0.88 H new ATOM 0 HD13 LEU A 10 3.232 -3.773 -0.376 1.00 0.88 H new ATOM 0 HD21 LEU A 10 1.106 -3.148 -2.521 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.258 -4.499 -2.646 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.509 -4.808 -2.758 1.00 0.79 H new ATOM 153 N ARG A 11 -1.027 -7.146 0.803 1.00 0.39 N ATOM 154 CA ARG A 11 -2.460 -7.248 0.998 1.00 0.44 C ATOM 155 C ARG A 11 -2.852 -7.197 2.455 1.00 0.44 C ATOM 156 O ARG A 11 -3.777 -6.506 2.787 1.00 0.48 O ATOM 157 CB ARG A 11 -3.064 -8.479 0.292 1.00 0.52 C ATOM 158 CG ARG A 11 -4.544 -8.690 0.593 1.00 0.70 C ATOM 159 CD ARG A 11 -5.222 -9.617 -0.400 1.00 0.85 C ATOM 160 NE ARG A 11 -4.607 -10.951 -0.516 1.00 1.22 N ATOM 161 CZ ARG A 11 -5.298 -12.044 -0.867 1.00 1.67 C ATOM 162 NH1 ARG A 11 -6.615 -12.069 -0.687 1.00 2.17 N ATOM 163 NH2 ARG A 11 -4.673 -13.135 -1.252 1.00 2.23 N ATOM 0 H ARG A 11 -0.642 -7.876 0.204 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.889 -6.365 0.524 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.933 -8.371 -0.785 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.510 -9.368 0.593 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.651 -9.101 1.597 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.052 -7.726 0.587 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.266 -9.737 -0.110 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.216 -9.143 -1.381 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.611 -11.047 -0.320 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -7.090 -11.261 -0.285 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -7.150 -12.896 -0.951 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.654 -13.154 -1.285 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -5.207 -13.962 -1.517 1.00 2.23 H new ATOM 177 N ARG A 12 -2.116 -7.895 3.315 1.00 0.47 N ATOM 178 CA ARG A 12 -2.423 -7.918 4.754 1.00 0.54 C ATOM 179 C ARG A 12 -2.438 -6.503 5.334 1.00 0.54 C ATOM 180 O ARG A 12 -3.428 -6.080 5.919 1.00 0.62 O ATOM 181 CB ARG A 12 -1.416 -8.755 5.534 1.00 0.64 C ATOM 182 CG ARG A 12 -1.256 -10.182 5.056 1.00 1.04 C ATOM 183 CD ARG A 12 -0.352 -10.981 5.981 1.00 1.27 C ATOM 184 NE ARG A 12 0.974 -10.359 6.182 1.00 1.78 N ATOM 185 CZ ARG A 12 1.993 -10.922 6.838 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.940 -12.197 7.204 1.00 2.59 N ATOM 187 NH2 ARG A 12 3.069 -10.209 7.089 1.00 3.25 N ATOM 0 H ARG A 12 -1.304 -8.452 3.048 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.411 -8.368 4.854 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.445 -8.262 5.488 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.715 -8.771 6.582 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.234 -10.660 4.999 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.841 -10.185 4.048 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.842 -11.095 6.948 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.218 -11.982 5.571 1.00 1.27 H new ATOM 0 HE ARG A 12 1.122 -9.429 5.790 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.116 -12.757 6.985 1.00 2.59 H new ATOM 0 HH12 ARG A 12 2.723 -12.617 7.704 1.00 2.59 H new ATOM 0 HH21 ARG A 12 3.119 -9.237 6.784 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.853 -10.628 7.589 1.00 3.25 H new ATOM 201 N ALA A 13 -1.361 -5.765 5.099 1.00 0.52 N ATOM 202 CA ALA A 13 -1.213 -4.414 5.639 1.00 0.59 C ATOM 203 C ALA A 13 -2.245 -3.466 5.034 1.00 0.59 C ATOM 204 O ALA A 13 -2.777 -2.576 5.708 1.00 0.69 O ATOM 205 CB ALA A 13 0.197 -3.900 5.402 1.00 0.66 C ATOM 0 H ALA A 13 -0.571 -6.079 4.535 1.00 0.52 H new ATOM 0 HA ALA A 13 -1.389 -4.456 6.714 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.291 -2.893 5.810 1.00 0.66 H new ATOM 0 HB2 ALA A 13 0.912 -4.559 5.894 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.401 -3.878 4.332 1.00 0.66 H new ATOM 211 N LEU A 14 -2.507 -3.648 3.767 1.00 0.52 N ATOM 212 CA LEU A 14 -3.495 -2.889 3.066 1.00 0.55 C ATOM 213 C LEU A 14 -4.918 -3.201 3.583 1.00 0.58 C ATOM 214 O LEU A 14 -5.675 -2.277 3.970 1.00 0.68 O ATOM 215 CB LEU A 14 -3.366 -3.179 1.559 1.00 0.52 C ATOM 216 CG LEU A 14 -2.260 -2.433 0.756 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.682 -1.023 0.440 1.00 1.30 C ATOM 218 CD2 LEU A 14 -0.921 -2.379 1.480 1.00 1.05 C ATOM 0 H LEU A 14 -2.030 -4.340 3.189 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.327 -1.827 3.243 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.199 -4.249 1.440 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.325 -2.952 1.093 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.129 -3.011 -0.159 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.892 -0.524 -0.121 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.594 -1.041 -0.156 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.866 -0.481 1.368 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.196 -1.846 0.865 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -1.042 -1.860 2.431 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.565 -3.393 1.663 1.00 1.05 H new ATOM 230 N VAL A 15 -5.260 -4.485 3.630 1.00 0.57 N ATOM 231 CA VAL A 15 -6.593 -4.931 4.003 1.00 0.66 C ATOM 232 C VAL A 15 -6.905 -4.655 5.465 1.00 0.72 C ATOM 233 O VAL A 15 -8.020 -4.293 5.790 1.00 0.91 O ATOM 234 CB VAL A 15 -6.889 -6.432 3.614 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.184 -7.442 4.512 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.385 -6.706 3.534 1.00 1.01 C ATOM 0 H VAL A 15 -4.617 -5.245 3.409 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.276 -4.328 3.405 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.467 -6.570 2.619 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.432 -8.453 4.188 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -5.106 -7.295 4.449 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.509 -7.302 5.543 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.550 -7.749 3.264 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.844 -6.505 4.502 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.833 -6.060 2.779 1.00 1.01 H new ATOM 246 N GLU A 16 -5.906 -4.756 6.339 1.00 0.66 N ATOM 247 CA GLU A 16 -6.130 -4.489 7.748 1.00 0.79 C ATOM 248 C GLU A 16 -6.518 -3.021 7.961 1.00 0.83 C ATOM 249 O GLU A 16 -7.278 -2.687 8.880 1.00 0.98 O ATOM 250 CB GLU A 16 -4.910 -4.850 8.599 1.00 0.94 C ATOM 251 CG GLU A 16 -3.754 -3.940 8.366 1.00 1.08 C ATOM 252 CD GLU A 16 -2.628 -4.114 9.343 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.728 -3.599 10.476 1.00 1.49 O ATOM 254 OE2 GLU A 16 -1.621 -4.735 9.004 1.00 1.71 O ATOM 0 H GLU A 16 -4.950 -5.017 6.097 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.954 -5.124 8.074 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -5.186 -4.817 9.653 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.610 -5.875 8.380 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.374 -4.104 7.358 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.103 -2.908 8.411 1.00 1.08 H new ATOM 261 N SER A 17 -6.035 -2.163 7.081 1.00 0.77 N ATOM 262 CA SER A 17 -6.283 -0.760 7.194 1.00 0.91 C ATOM 263 C SER A 17 -7.652 -0.376 6.593 1.00 0.95 C ATOM 264 O SER A 17 -8.550 0.042 7.314 1.00 1.24 O ATOM 265 CB SER A 17 -5.151 0.002 6.487 1.00 0.98 C ATOM 266 OG SER A 17 -3.876 -0.442 6.948 1.00 1.24 O ATOM 0 H SER A 17 -5.465 -2.429 6.278 1.00 0.77 H new ATOM 0 HA SER A 17 -6.309 -0.490 8.250 1.00 0.91 H new ATOM 0 HB2 SER A 17 -5.225 -0.146 5.410 1.00 0.98 H new ATOM 0 HB3 SER A 17 -5.257 1.071 6.670 1.00 0.98 H new ATOM 0 HG SER A 17 -3.525 -1.121 6.335 1.00 1.24 H new ATOM 272 N ALA A 18 -7.806 -0.547 5.285 1.00 0.83 N ATOM 273 CA ALA A 18 -9.032 -0.129 4.589 1.00 0.94 C ATOM 274 C ALA A 18 -10.099 -1.216 4.489 1.00 1.41 C ATOM 275 O ALA A 18 -11.295 -0.952 4.647 1.00 2.05 O ATOM 276 CB ALA A 18 -8.708 0.424 3.215 1.00 1.05 C ATOM 0 H ALA A 18 -7.103 -0.971 4.680 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.465 0.656 5.209 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.630 0.727 2.718 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.050 1.287 3.316 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.211 -0.344 2.622 1.00 1.05 H new ATOM 393 N GLY A 28 -8.524 -10.275 -2.580 1.00 0.95 N ATOM 394 CA GLY A 28 -8.211 -10.938 -3.811 1.00 1.09 C ATOM 395 C GLY A 28 -7.055 -10.242 -4.448 1.00 0.84 C ATOM 396 O GLY A 28 -6.023 -10.047 -3.796 1.00 1.04 O ATOM 0 HA2 GLY A 28 -7.967 -11.984 -3.626 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.074 -10.925 -4.477 1.00 1.09 H new ATOM 400 N ASP A 29 -7.199 -9.851 -5.676 1.00 0.80 N ATOM 401 CA ASP A 29 -6.169 -9.080 -6.338 1.00 0.86 C ATOM 402 C ASP A 29 -6.525 -7.617 -6.275 1.00 0.77 C ATOM 403 O ASP A 29 -7.706 -7.256 -6.263 1.00 1.01 O ATOM 404 CB ASP A 29 -5.942 -9.524 -7.786 1.00 1.28 C ATOM 405 CG ASP A 29 -4.947 -8.633 -8.516 1.00 1.96 C ATOM 406 OD1 ASP A 29 -3.909 -8.297 -7.932 1.00 2.61 O ATOM 407 OD2 ASP A 29 -5.201 -8.248 -9.694 1.00 2.38 O ATOM 0 H ASP A 29 -8.019 -10.049 -6.250 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.229 -9.254 -5.814 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.580 -10.552 -7.796 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -6.893 -9.516 -8.319 1.00 1.28 H new ATOM 412 N PHE A 30 -5.530 -6.791 -6.215 1.00 0.58 N ATOM 413 CA PHE A 30 -5.728 -5.374 -6.071 1.00 0.52 C ATOM 414 C PHE A 30 -4.611 -4.589 -6.746 1.00 0.46 C ATOM 415 O PHE A 30 -4.666 -3.379 -6.796 1.00 0.44 O ATOM 416 CB PHE A 30 -5.818 -5.008 -4.566 1.00 0.56 C ATOM 417 CG PHE A 30 -4.564 -5.300 -3.753 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.143 -6.603 -3.518 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.818 -4.265 -3.225 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.006 -6.855 -2.786 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.678 -4.514 -2.488 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.273 -5.809 -2.270 1.00 0.89 C ATOM 0 H PHE A 30 -4.552 -7.076 -6.264 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.663 -5.105 -6.562 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.049 -3.946 -4.480 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.653 -5.553 -4.125 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.716 -7.428 -3.915 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.131 -3.245 -3.391 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.688 -7.873 -2.616 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.105 -3.693 -2.083 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.381 -6.007 -1.695 1.00 0.89 H new ATOM 432 N LEU A 31 -3.601 -5.293 -7.269 1.00 0.48 N ATOM 433 CA LEU A 31 -2.416 -4.649 -7.864 1.00 0.49 C ATOM 434 C LEU A 31 -2.737 -3.661 -8.987 1.00 0.43 C ATOM 435 O LEU A 31 -2.057 -2.641 -9.136 1.00 0.46 O ATOM 436 CB LEU A 31 -1.379 -5.678 -8.316 1.00 0.62 C ATOM 437 CG LEU A 31 -0.765 -6.540 -7.206 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.252 -7.506 -7.786 1.00 1.15 C ATOM 439 CD2 LEU A 31 -0.118 -5.666 -6.134 1.00 1.53 C ATOM 0 H LEU A 31 -3.577 -6.312 -7.294 1.00 0.48 H new ATOM 0 HA LEU A 31 -1.985 -4.053 -7.060 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.845 -6.339 -9.047 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -0.574 -5.153 -8.829 1.00 0.62 H new ATOM 0 HG LEU A 31 -1.565 -7.115 -6.740 1.00 0.73 H new ATOM 0 HD11 LEU A 31 0.678 -8.110 -6.985 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.237 -8.157 -8.511 1.00 1.15 H new ATOM 0 HD13 LEU A 31 1.046 -6.945 -8.279 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.310 -6.300 -5.358 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.669 -5.061 -6.584 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.871 -5.012 -5.694 1.00 1.53 H new ATOM 451 N ASP A 32 -3.770 -3.962 -9.752 1.00 0.43 N ATOM 452 CA ASP A 32 -4.150 -3.135 -10.906 1.00 0.49 C ATOM 453 C ASP A 32 -5.251 -2.141 -10.535 1.00 0.41 C ATOM 454 O ASP A 32 -5.548 -1.225 -11.281 1.00 0.51 O ATOM 455 CB ASP A 32 -4.612 -4.046 -12.061 1.00 0.68 C ATOM 456 CG ASP A 32 -4.772 -3.327 -13.390 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.735 -2.892 -13.969 1.00 2.17 O ATOM 458 OD2 ASP A 32 -5.912 -3.226 -13.905 1.00 1.99 O ATOM 0 H ASP A 32 -4.369 -4.774 -9.603 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.281 -2.560 -11.224 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.892 -4.855 -12.182 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.564 -4.504 -11.791 1.00 0.68 H new ATOM 463 N LEU A 33 -5.815 -2.310 -9.362 1.00 0.36 N ATOM 464 CA LEU A 33 -6.900 -1.457 -8.896 1.00 0.35 C ATOM 465 C LEU A 33 -6.304 -0.231 -8.224 1.00 0.32 C ATOM 466 O LEU A 33 -5.340 -0.351 -7.476 1.00 0.38 O ATOM 467 CB LEU A 33 -7.795 -2.232 -7.928 1.00 0.46 C ATOM 468 CG LEU A 33 -8.423 -3.523 -8.478 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.264 -4.207 -7.415 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.262 -3.236 -9.715 1.00 1.56 C ATOM 0 H LEU A 33 -5.541 -3.037 -8.701 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.515 -1.139 -9.738 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.208 -2.485 -7.045 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.598 -1.572 -7.599 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.613 -4.195 -8.763 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.699 -5.118 -7.826 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.636 -4.458 -6.560 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.062 -3.537 -7.095 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.695 -4.165 -10.085 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.061 -2.540 -9.459 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.632 -2.797 -10.488 1.00 1.56 H new ATOM 482 N ARG A 34 -6.842 0.940 -8.489 1.00 0.39 N ATOM 483 CA ARG A 34 -6.247 2.152 -7.973 1.00 0.49 C ATOM 484 C ARG A 34 -6.710 2.387 -6.563 1.00 0.45 C ATOM 485 O ARG A 34 -7.860 2.094 -6.241 1.00 0.50 O ATOM 486 CB ARG A 34 -6.533 3.392 -8.858 1.00 0.73 C ATOM 487 CG ARG A 34 -6.022 3.301 -10.299 1.00 0.89 C ATOM 488 CD ARG A 34 -6.855 2.354 -11.150 1.00 0.95 C ATOM 489 NE ARG A 34 -6.358 2.217 -12.516 1.00 1.79 N ATOM 490 CZ ARG A 34 -6.666 1.193 -13.328 1.00 2.53 C ATOM 491 NH1 ARG A 34 -7.501 0.236 -12.919 1.00 2.76 N ATOM 492 NH2 ARG A 34 -6.165 1.139 -14.546 1.00 3.48 N ATOM 0 H ARG A 34 -7.681 1.078 -9.052 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.166 2.011 -7.985 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -7.610 3.560 -8.882 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.084 4.266 -8.386 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -6.032 4.294 -10.749 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -4.985 2.964 -10.294 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.873 1.372 -10.677 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -7.884 2.713 -11.179 1.00 0.95 H new ATOM 0 HE ARG A 34 -5.739 2.944 -12.875 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -7.909 0.280 -11.985 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -7.731 -0.540 -13.540 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.541 1.876 -14.874 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -6.401 0.360 -15.160 1.00 3.48 H new ATOM 506 N PHE A 35 -5.827 2.909 -5.722 1.00 0.43 N ATOM 507 CA PHE A 35 -6.150 3.222 -4.331 1.00 0.43 C ATOM 508 C PHE A 35 -7.451 4.006 -4.223 1.00 0.48 C ATOM 509 O PHE A 35 -8.321 3.659 -3.421 1.00 0.52 O ATOM 510 CB PHE A 35 -5.008 3.968 -3.624 1.00 0.44 C ATOM 511 CG PHE A 35 -3.769 3.141 -3.395 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.809 2.026 -2.579 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.566 3.490 -3.976 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.678 1.277 -2.348 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.427 2.742 -3.752 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.484 1.634 -2.937 1.00 0.60 C ATOM 0 H PHE A 35 -4.866 3.128 -5.982 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.283 2.268 -3.821 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -4.741 4.843 -4.216 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.369 4.332 -2.662 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.741 1.739 -2.116 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.515 4.360 -4.614 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.726 0.410 -1.706 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.494 3.026 -4.215 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.596 1.046 -2.760 1.00 0.60 H new ATOM 526 N GLU A 36 -7.598 5.015 -5.076 1.00 0.53 N ATOM 527 CA GLU A 36 -8.796 5.840 -5.126 1.00 0.67 C ATOM 528 C GLU A 36 -10.083 5.003 -5.303 1.00 0.73 C ATOM 529 O GLU A 36 -11.103 5.290 -4.673 1.00 0.87 O ATOM 530 CB GLU A 36 -8.691 6.896 -6.239 1.00 0.75 C ATOM 531 CG GLU A 36 -8.504 6.322 -7.641 1.00 1.26 C ATOM 532 CD GLU A 36 -8.528 7.380 -8.706 1.00 1.59 C ATOM 533 OE1 GLU A 36 -9.619 7.861 -9.072 1.00 2.04 O ATOM 534 OE2 GLU A 36 -7.448 7.750 -9.216 1.00 1.90 O ATOM 0 H GLU A 36 -6.885 5.283 -5.754 1.00 0.53 H new ATOM 0 HA GLU A 36 -8.866 6.345 -4.163 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.593 7.508 -6.228 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -7.854 7.558 -6.017 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -7.555 5.787 -7.687 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.291 5.594 -7.839 1.00 1.26 H new ATOM 541 N ASP A 37 -10.020 3.945 -6.111 1.00 0.70 N ATOM 542 CA ASP A 37 -11.203 3.134 -6.387 1.00 0.83 C ATOM 543 C ASP A 37 -11.375 2.003 -5.388 1.00 0.82 C ATOM 544 O ASP A 37 -12.475 1.494 -5.207 1.00 0.98 O ATOM 545 CB ASP A 37 -11.296 2.627 -7.854 1.00 0.94 C ATOM 546 CG ASP A 37 -10.227 1.671 -8.312 1.00 1.41 C ATOM 547 OD1 ASP A 37 -10.242 0.499 -7.883 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.292 2.091 -9.000 1.00 2.12 O ATOM 0 H ASP A 37 -9.171 3.632 -6.581 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.044 3.815 -6.259 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -12.264 2.142 -7.985 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.282 3.494 -8.514 1.00 0.94 H new ATOM 553 N ILE A 38 -10.315 1.636 -4.699 1.00 0.68 N ATOM 554 CA ILE A 38 -10.411 0.586 -3.687 1.00 0.70 C ATOM 555 C ILE A 38 -10.582 1.145 -2.278 1.00 0.72 C ATOM 556 O ILE A 38 -10.270 0.483 -1.284 1.00 0.82 O ATOM 557 CB ILE A 38 -9.278 -0.471 -3.751 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.888 0.185 -3.749 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.469 -1.357 -4.962 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.723 -0.790 -3.793 1.00 0.75 C ATOM 0 H ILE A 38 -9.385 2.038 -4.813 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.324 0.048 -3.941 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.334 -1.089 -2.855 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.816 0.854 -4.607 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.794 0.802 -2.855 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.670 -2.097 -5.001 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.431 -1.865 -4.893 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.444 -0.748 -5.866 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.784 -0.236 -3.788 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.763 -1.444 -2.922 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.785 -1.391 -4.700 1.00 0.75 H new ATOM 572 N GLY A 39 -11.132 2.341 -2.210 1.00 0.75 N ATOM 573 CA GLY A 39 -11.511 2.941 -0.943 1.00 0.87 C ATOM 574 C GLY A 39 -10.386 3.620 -0.189 1.00 0.68 C ATOM 575 O GLY A 39 -10.519 3.898 1.002 1.00 0.76 O ATOM 0 H GLY A 39 -11.328 2.922 -3.025 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.298 3.673 -1.127 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -11.939 2.167 -0.306 1.00 0.87 H new ATOM 579 N TYR A 40 -9.295 3.899 -0.845 1.00 0.55 N ATOM 580 CA TYR A 40 -8.194 4.558 -0.184 1.00 0.52 C ATOM 581 C TYR A 40 -8.186 6.017 -0.451 1.00 0.56 C ATOM 582 O TYR A 40 -7.948 6.461 -1.584 1.00 0.71 O ATOM 583 CB TYR A 40 -6.840 3.989 -0.576 1.00 0.60 C ATOM 584 CG TYR A 40 -6.557 2.640 -0.030 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.065 1.513 -0.631 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.762 2.493 1.088 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.798 0.272 -0.139 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.487 1.254 1.593 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.011 0.146 0.971 1.00 0.93 C ATOM 590 OH TYR A 40 -5.748 -1.084 1.459 1.00 1.21 O ATOM 0 H TYR A 40 -9.140 3.684 -1.830 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.352 4.377 0.879 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.779 3.947 -1.663 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.061 4.674 -0.240 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.687 1.614 -1.508 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.352 3.368 1.570 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.204 -0.605 -0.621 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.866 1.146 2.470 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.868 -1.083 2.432 1.00 1.21 H new ATOM 600 N ASP A 41 -8.467 6.764 0.563 1.00 0.58 N ATOM 601 CA ASP A 41 -8.315 8.184 0.486 1.00 0.77 C ATOM 602 C ASP A 41 -6.889 8.454 0.870 1.00 0.91 C ATOM 603 O ASP A 41 -6.192 7.539 1.363 1.00 1.78 O ATOM 604 CB ASP A 41 -9.224 8.926 1.477 1.00 0.86 C ATOM 605 CG ASP A 41 -10.649 8.463 1.466 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.401 8.880 0.570 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.050 7.672 2.328 1.00 2.34 O ATOM 0 H ASP A 41 -8.805 6.416 1.460 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.579 8.529 -0.514 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.822 8.805 2.483 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.198 9.992 1.249 1.00 0.86 H new ATOM 612 N SER A 42 -6.455 9.663 0.670 1.00 0.59 N ATOM 613 CA SER A 42 -5.119 10.113 1.032 1.00 0.58 C ATOM 614 C SER A 42 -4.801 9.764 2.507 1.00 0.51 C ATOM 615 O SER A 42 -3.693 9.326 2.852 1.00 0.51 O ATOM 616 CB SER A 42 -5.100 11.607 0.849 1.00 0.71 C ATOM 617 OG SER A 42 -6.171 12.194 1.681 1.00 0.97 O ATOM 0 H SER A 42 -7.025 10.392 0.240 1.00 0.59 H new ATOM 0 HA SER A 42 -4.370 9.623 0.409 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.130 12.012 1.138 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.252 11.862 -0.200 1.00 0.71 H new ATOM 0 HG SER A 42 -6.171 13.168 1.574 1.00 0.97 H new ATOM 622 N LEU A 43 -5.813 9.950 3.329 1.00 0.48 N ATOM 623 CA LEU A 43 -5.786 9.722 4.755 1.00 0.51 C ATOM 624 C LEU A 43 -5.411 8.251 5.070 1.00 0.46 C ATOM 625 O LEU A 43 -4.387 7.990 5.701 1.00 0.50 O ATOM 626 CB LEU A 43 -7.180 10.130 5.315 1.00 0.60 C ATOM 627 CG LEU A 43 -7.402 10.197 6.840 1.00 0.76 C ATOM 628 CD1 LEU A 43 -7.464 8.825 7.477 1.00 1.40 C ATOM 629 CD2 LEU A 43 -6.335 11.059 7.501 1.00 1.64 C ATOM 0 H LEU A 43 -6.721 10.281 3.002 1.00 0.48 H new ATOM 0 HA LEU A 43 -5.019 10.326 5.239 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.420 11.112 4.908 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.911 9.430 4.910 1.00 0.60 H new ATOM 0 HG LEU A 43 -8.375 10.661 7.002 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -7.621 8.929 8.551 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -8.288 8.259 7.043 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -6.527 8.298 7.297 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -6.510 11.093 8.576 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -5.351 10.633 7.307 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -6.380 12.069 7.094 1.00 1.64 H new ATOM 641 N ALA A 44 -6.212 7.304 4.598 1.00 0.44 N ATOM 642 CA ALA A 44 -5.943 5.887 4.848 1.00 0.45 C ATOM 643 C ALA A 44 -4.655 5.445 4.174 1.00 0.41 C ATOM 644 O ALA A 44 -3.943 4.565 4.676 1.00 0.47 O ATOM 645 CB ALA A 44 -7.102 5.021 4.373 1.00 0.51 C ATOM 0 H ALA A 44 -7.048 7.486 4.043 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.830 5.761 5.925 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.878 3.973 4.570 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -8.010 5.304 4.906 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.249 5.166 3.303 1.00 0.51 H new ATOM 651 N LEU A 45 -4.349 6.065 3.054 1.00 0.39 N ATOM 652 CA LEU A 45 -3.164 5.748 2.296 1.00 0.42 C ATOM 653 C LEU A 45 -1.896 6.090 3.083 1.00 0.41 C ATOM 654 O LEU A 45 -0.956 5.291 3.120 1.00 0.44 O ATOM 655 CB LEU A 45 -3.193 6.459 0.939 1.00 0.50 C ATOM 656 CG LEU A 45 -2.032 6.176 -0.017 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.913 4.683 -0.298 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.246 6.932 -1.310 1.00 0.90 C ATOM 0 H LEU A 45 -4.919 6.805 2.645 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.149 4.673 2.114 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.121 6.189 0.435 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.229 7.533 1.120 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.105 6.509 0.450 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.081 4.506 -0.980 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.736 4.150 0.636 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.837 4.323 -0.752 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.419 6.730 -1.991 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.181 6.610 -1.769 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.293 8.001 -1.103 1.00 0.90 H new ATOM 670 N MET A 46 -1.887 7.243 3.752 1.00 0.42 N ATOM 671 CA MET A 46 -0.712 7.647 4.530 1.00 0.48 C ATOM 672 C MET A 46 -0.518 6.727 5.735 1.00 0.46 C ATOM 673 O MET A 46 0.622 6.388 6.089 1.00 0.53 O ATOM 674 CB MET A 46 -0.741 9.160 4.926 1.00 0.57 C ATOM 675 CG MET A 46 -1.788 9.598 5.967 1.00 0.58 C ATOM 676 SD MET A 46 -1.361 9.168 7.679 1.00 1.46 S ATOM 677 CE MET A 46 0.162 10.087 7.899 1.00 1.78 C ATOM 0 H MET A 46 -2.664 7.904 3.773 1.00 0.42 H new ATOM 0 HA MET A 46 0.161 7.534 3.887 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.245 9.428 5.306 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.903 9.743 4.019 1.00 0.57 H new ATOM 0 HG2 MET A 46 -1.923 10.677 5.898 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.745 9.141 5.717 1.00 0.58 H new ATOM 0 HE1 MET A 46 0.167 10.553 8.884 1.00 1.78 H new ATOM 0 HE2 MET A 46 1.011 9.409 7.814 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.235 10.859 7.133 1.00 1.78 H new ATOM 687 N GLU A 47 -1.634 6.296 6.338 1.00 0.44 N ATOM 688 CA GLU A 47 -1.598 5.360 7.456 1.00 0.49 C ATOM 689 C GLU A 47 -1.010 4.027 7.015 1.00 0.47 C ATOM 690 O GLU A 47 -0.132 3.471 7.677 1.00 0.51 O ATOM 691 CB GLU A 47 -2.992 5.162 8.061 1.00 0.54 C ATOM 692 CG GLU A 47 -3.511 6.343 8.862 1.00 0.78 C ATOM 693 CD GLU A 47 -4.841 6.055 9.529 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.897 5.220 10.459 1.00 1.03 O ATOM 695 OE2 GLU A 47 -5.852 6.652 9.140 1.00 1.88 O ATOM 0 H GLU A 47 -2.573 6.585 6.065 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.957 5.784 8.229 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.695 4.949 7.256 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.971 4.284 8.706 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.778 6.612 9.623 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.618 7.205 8.204 1.00 0.78 H new ATOM 702 N THR A 48 -1.481 3.550 5.877 1.00 0.45 N ATOM 703 CA THR A 48 -1.012 2.312 5.286 1.00 0.48 C ATOM 704 C THR A 48 0.503 2.404 5.001 1.00 0.44 C ATOM 705 O THR A 48 1.280 1.533 5.422 1.00 0.46 O ATOM 706 CB THR A 48 -1.777 2.049 3.970 1.00 0.54 C ATOM 707 OG1 THR A 48 -3.196 2.016 4.233 1.00 0.63 O ATOM 708 CG2 THR A 48 -1.356 0.725 3.369 1.00 0.65 C ATOM 0 H THR A 48 -2.207 4.016 5.333 1.00 0.45 H new ATOM 0 HA THR A 48 -1.191 1.491 5.980 1.00 0.48 H new ATOM 0 HB THR A 48 -1.546 2.850 3.268 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.554 2.928 4.213 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.904 0.555 2.442 1.00 0.65 H new ATOM 0 HG22 THR A 48 -0.287 0.744 3.159 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.573 -0.079 4.072 1.00 0.65 H new ATOM 716 N ALA A 49 0.904 3.472 4.309 1.00 0.45 N ATOM 717 CA ALA A 49 2.298 3.706 3.942 1.00 0.48 C ATOM 718 C ALA A 49 3.219 3.695 5.164 1.00 0.44 C ATOM 719 O ALA A 49 4.223 2.982 5.174 1.00 0.45 O ATOM 720 CB ALA A 49 2.429 5.024 3.191 1.00 0.57 C ATOM 0 H ALA A 49 0.267 4.201 3.987 1.00 0.45 H new ATOM 0 HA ALA A 49 2.610 2.889 3.291 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.473 5.188 2.923 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.823 4.989 2.286 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.085 5.840 3.826 1.00 0.57 H new ATOM 726 N ALA A 50 2.826 4.433 6.207 1.00 0.44 N ATOM 727 CA ALA A 50 3.630 4.574 7.433 1.00 0.46 C ATOM 728 C ALA A 50 3.936 3.228 8.089 1.00 0.44 C ATOM 729 O ALA A 50 5.042 3.004 8.593 1.00 0.44 O ATOM 730 CB ALA A 50 2.936 5.498 8.421 1.00 0.56 C ATOM 0 H ALA A 50 1.946 4.949 6.229 1.00 0.44 H new ATOM 0 HA ALA A 50 4.584 5.012 7.140 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.544 5.591 9.321 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.804 6.481 7.969 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.962 5.085 8.682 1.00 0.56 H new ATOM 736 N ARG A 51 2.965 2.327 8.054 1.00 0.46 N ATOM 737 CA ARG A 51 3.094 1.019 8.623 1.00 0.48 C ATOM 738 C ARG A 51 4.174 0.216 7.906 1.00 0.46 C ATOM 739 O ARG A 51 5.008 -0.439 8.543 1.00 0.49 O ATOM 740 CB ARG A 51 1.755 0.320 8.540 1.00 0.54 C ATOM 741 CG ARG A 51 0.693 0.937 9.424 1.00 0.78 C ATOM 742 CD ARG A 51 -0.650 0.261 9.251 1.00 0.80 C ATOM 743 NE ARG A 51 -1.639 0.805 10.185 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.839 0.270 10.437 1.00 2.07 C ATOM 745 NH1 ARG A 51 -3.284 -0.739 9.719 1.00 1.80 N ATOM 746 NH2 ARG A 51 -3.604 0.770 11.379 1.00 3.14 N ATOM 0 H ARG A 51 2.058 2.499 7.621 1.00 0.46 H new ATOM 0 HA ARG A 51 3.396 1.104 9.667 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.410 0.336 7.506 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.883 -0.726 8.817 1.00 0.54 H new ATOM 0 HG2 ARG A 51 1.003 0.866 10.467 1.00 0.78 H new ATOM 0 HG3 ARG A 51 0.598 1.998 9.191 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.999 0.396 8.227 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.544 -0.812 9.413 1.00 0.80 H new ATOM 0 HE ARG A 51 -1.393 1.660 10.683 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.713 -1.119 8.964 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -4.200 -1.141 9.917 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -3.285 1.571 11.924 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -4.518 0.358 11.566 1.00 3.14 H new ATOM 760 N LEU A 52 4.183 0.309 6.590 1.00 0.44 N ATOM 761 CA LEU A 52 5.159 -0.393 5.780 1.00 0.46 C ATOM 762 C LEU A 52 6.542 0.199 5.997 1.00 0.38 C ATOM 763 O LEU A 52 7.539 -0.534 6.075 1.00 0.40 O ATOM 764 CB LEU A 52 4.766 -0.335 4.307 1.00 0.55 C ATOM 765 CG LEU A 52 3.449 -1.026 3.946 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.095 -0.770 2.498 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.544 -2.524 4.199 1.00 0.80 C ATOM 0 H LEU A 52 3.519 0.869 6.056 1.00 0.44 H new ATOM 0 HA LEU A 52 5.183 -1.440 6.083 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.701 0.711 4.008 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.565 -0.785 3.718 1.00 0.55 H new ATOM 0 HG LEU A 52 2.664 -0.612 4.579 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.156 -1.269 2.259 1.00 0.83 H new ATOM 0 HD12 LEU A 52 2.988 0.302 2.334 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.886 -1.159 1.856 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.598 -2.998 3.937 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.343 -2.946 3.589 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.759 -2.702 5.253 1.00 0.80 H new ATOM 779 N GLU A 53 6.587 1.519 6.134 1.00 0.35 N ATOM 780 CA GLU A 53 7.822 2.241 6.388 1.00 0.33 C ATOM 781 C GLU A 53 8.489 1.755 7.651 1.00 0.34 C ATOM 782 O GLU A 53 9.615 1.243 7.613 1.00 0.41 O ATOM 783 CB GLU A 53 7.574 3.731 6.510 1.00 0.34 C ATOM 784 CG GLU A 53 7.080 4.393 5.260 1.00 0.35 C ATOM 785 CD GLU A 53 6.873 5.860 5.474 1.00 0.42 C ATOM 786 OE1 GLU A 53 7.796 6.646 5.254 1.00 0.49 O ATOM 787 OE2 GLU A 53 5.744 6.253 5.829 1.00 0.59 O ATOM 0 H GLU A 53 5.764 2.118 6.071 1.00 0.35 H new ATOM 0 HA GLU A 53 8.477 2.053 5.537 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.847 3.900 7.305 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.501 4.215 6.818 1.00 0.34 H new ATOM 0 HG2 GLU A 53 7.797 4.237 4.454 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.143 3.932 4.946 1.00 0.35 H new ATOM 794 N SER A 54 7.786 1.885 8.751 1.00 0.36 N ATOM 795 CA SER A 54 8.308 1.525 10.041 1.00 0.43 C ATOM 796 C SER A 54 8.645 0.029 10.145 1.00 0.42 C ATOM 797 O SER A 54 9.703 -0.336 10.662 1.00 0.48 O ATOM 798 CB SER A 54 7.326 1.947 11.128 1.00 0.55 C ATOM 799 OG SER A 54 7.116 3.360 11.100 1.00 1.22 O ATOM 0 H SER A 54 6.832 2.245 8.773 1.00 0.36 H new ATOM 0 HA SER A 54 9.249 2.058 10.180 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.376 1.431 10.987 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.708 1.651 12.105 1.00 0.55 H new ATOM 0 HG SER A 54 6.496 3.584 10.375 1.00 1.22 H new ATOM 805 N ARG A 55 7.770 -0.827 9.643 1.00 0.44 N ATOM 806 CA ARG A 55 7.988 -2.254 9.764 1.00 0.51 C ATOM 807 C ARG A 55 9.155 -2.760 8.900 1.00 0.56 C ATOM 808 O ARG A 55 9.976 -3.565 9.361 1.00 0.64 O ATOM 809 CB ARG A 55 6.712 -3.055 9.474 1.00 0.60 C ATOM 810 CG ARG A 55 6.866 -4.536 9.770 1.00 0.77 C ATOM 811 CD ARG A 55 5.597 -5.317 9.513 1.00 0.95 C ATOM 812 NE ARG A 55 5.752 -6.724 9.912 1.00 1.51 N ATOM 813 CZ ARG A 55 4.792 -7.662 9.834 1.00 1.97 C ATOM 814 NH1 ARG A 55 3.596 -7.369 9.301 1.00 1.87 N ATOM 815 NH2 ARG A 55 5.034 -8.884 10.291 1.00 2.88 N ATOM 0 H ARG A 55 6.915 -0.561 9.155 1.00 0.44 H new ATOM 0 HA ARG A 55 8.266 -2.421 10.805 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.893 -2.653 10.071 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.437 -2.925 8.427 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.669 -4.943 9.156 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.163 -4.665 10.811 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.772 -4.868 10.065 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.340 -5.262 8.455 1.00 0.95 H new ATOM 0 HE ARG A 55 6.660 -7.011 10.277 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.410 -6.429 8.951 1.00 1.87 H new ATOM 0 HH12 ARG A 55 2.873 -8.086 9.245 1.00 1.87 H new ATOM 0 HH21 ARG A 55 5.943 -9.106 10.698 1.00 2.88 H new ATOM 0 HH22 ARG A 55 4.311 -9.602 10.236 1.00 2.88 H new ATOM 829 N TYR A 56 9.249 -2.289 7.676 1.00 0.56 N ATOM 830 CA TYR A 56 10.234 -2.841 6.751 1.00 0.67 C ATOM 831 C TYR A 56 11.492 -2.008 6.617 1.00 0.70 C ATOM 832 O TYR A 56 12.400 -2.371 5.871 1.00 0.86 O ATOM 833 CB TYR A 56 9.594 -3.155 5.397 1.00 0.75 C ATOM 834 CG TYR A 56 8.493 -4.175 5.534 1.00 0.85 C ATOM 835 CD1 TYR A 56 8.774 -5.515 5.775 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.170 -3.801 5.379 1.00 0.82 C ATOM 837 CE1 TYR A 56 7.759 -6.448 5.863 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.157 -4.723 5.457 1.00 0.96 C ATOM 839 CZ TYR A 56 6.489 -6.061 5.873 1.00 1.17 C ATOM 840 OH TYR A 56 5.430 -6.953 5.763 1.00 1.33 O ATOM 0 H TYR A 56 8.671 -1.539 7.296 1.00 0.56 H new ATOM 0 HA TYR A 56 10.574 -3.778 7.191 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.193 -2.240 4.961 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.354 -3.528 4.711 1.00 0.75 H new ATOM 0 HD1 TYR A 56 9.800 -5.831 5.895 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.930 -2.764 5.193 1.00 0.82 H new ATOM 0 HE1 TYR A 56 8.000 -7.499 5.924 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.140 -4.453 5.213 1.00 0.96 H new ATOM 0 HH TYR A 56 5.077 -6.931 4.849 1.00 1.33 H new ATOM 850 N GLY A 57 11.551 -0.913 7.347 1.00 0.61 N ATOM 851 CA GLY A 57 12.742 -0.083 7.352 1.00 0.68 C ATOM 852 C GLY A 57 12.852 0.781 6.122 1.00 0.72 C ATOM 853 O GLY A 57 13.952 1.134 5.682 1.00 0.91 O ATOM 0 H GLY A 57 10.794 -0.577 7.942 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.734 0.552 8.238 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.624 -0.720 7.424 1.00 0.68 H new ATOM 857 N VAL A 58 11.733 1.136 5.568 1.00 0.62 N ATOM 858 CA VAL A 58 11.714 1.967 4.391 1.00 0.65 C ATOM 859 C VAL A 58 11.200 3.349 4.739 1.00 0.57 C ATOM 860 O VAL A 58 10.791 3.587 5.877 1.00 0.50 O ATOM 861 CB VAL A 58 10.910 1.359 3.191 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.464 0.006 2.793 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.428 1.244 3.503 1.00 0.57 C ATOM 0 H VAL A 58 10.812 0.864 5.911 1.00 0.62 H new ATOM 0 HA VAL A 58 12.746 2.032 4.046 1.00 0.65 H new ATOM 0 HB VAL A 58 11.025 2.046 2.353 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.887 -0.392 1.958 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.507 0.113 2.495 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.397 -0.678 3.639 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.908 0.818 2.645 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.288 0.598 4.370 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.024 2.233 3.718 1.00 0.57 H new ATOM 873 N SER A 59 11.255 4.245 3.802 1.00 0.63 N ATOM 874 CA SER A 59 10.717 5.561 3.976 1.00 0.63 C ATOM 875 C SER A 59 10.049 5.990 2.684 1.00 0.62 C ATOM 876 O SER A 59 10.690 6.045 1.626 1.00 0.73 O ATOM 877 CB SER A 59 11.812 6.543 4.427 1.00 0.83 C ATOM 878 OG SER A 59 12.969 6.467 3.589 1.00 1.41 O ATOM 0 H SER A 59 11.677 4.083 2.888 1.00 0.63 H new ATOM 0 HA SER A 59 9.966 5.558 4.766 1.00 0.63 H new ATOM 0 HB2 SER A 59 11.418 7.559 4.412 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.094 6.326 5.457 1.00 0.83 H new ATOM 0 HG SER A 59 12.690 6.353 2.656 1.00 1.41 H new ATOM 884 N ILE A 60 8.772 6.219 2.761 1.00 0.52 N ATOM 885 CA ILE A 60 7.978 6.565 1.619 1.00 0.53 C ATOM 886 C ILE A 60 7.792 8.073 1.566 1.00 0.59 C ATOM 887 O ILE A 60 7.165 8.658 2.446 1.00 0.67 O ATOM 888 CB ILE A 60 6.598 5.842 1.654 1.00 0.51 C ATOM 889 CG1 ILE A 60 6.808 4.313 1.664 1.00 0.50 C ATOM 890 CG2 ILE A 60 5.742 6.263 0.460 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.532 3.500 1.759 1.00 0.55 C ATOM 0 H ILE A 60 8.244 6.170 3.632 1.00 0.52 H new ATOM 0 HA ILE A 60 8.499 6.236 0.719 1.00 0.53 H new ATOM 0 HB ILE A 60 6.071 6.129 2.564 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.339 4.027 0.756 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.452 4.054 2.505 1.00 0.50 H new ATOM 0 HG21 ILE A 60 4.782 5.748 0.501 1.00 0.57 H new ATOM 0 HG22 ILE A 60 5.578 7.340 0.492 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.255 6.001 -0.466 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.777 2.438 1.760 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.008 3.752 2.681 1.00 0.55 H new ATOM 0 HD13 ILE A 60 4.893 3.725 0.905 1.00 0.55 H new ATOM 903 N PRO A 61 8.381 8.735 0.574 1.00 0.62 N ATOM 904 CA PRO A 61 8.252 10.176 0.407 1.00 0.71 C ATOM 905 C PRO A 61 6.846 10.574 -0.068 1.00 0.65 C ATOM 906 O PRO A 61 6.213 9.850 -0.855 1.00 0.57 O ATOM 907 CB PRO A 61 9.304 10.512 -0.664 1.00 0.78 C ATOM 908 CG PRO A 61 10.141 9.284 -0.793 1.00 0.77 C ATOM 909 CD PRO A 61 9.243 8.147 -0.452 1.00 0.64 C ATOM 0 HA PRO A 61 8.402 10.714 1.343 1.00 0.71 H new ATOM 0 HB2 PRO A 61 8.832 10.767 -1.613 1.00 0.78 H new ATOM 0 HB3 PRO A 61 9.907 11.370 -0.367 1.00 0.78 H new ATOM 0 HG2 PRO A 61 10.534 9.183 -1.805 1.00 0.77 H new ATOM 0 HG3 PRO A 61 10.998 9.322 -0.120 1.00 0.77 H new ATOM 0 HD2 PRO A 61 8.673 7.804 -1.316 1.00 0.64 H new ATOM 0 HD3 PRO A 61 9.798 7.288 -0.075 1.00 0.64 H new ATOM 917 N ASP A 62 6.390 11.731 0.393 1.00 0.75 N ATOM 918 CA ASP A 62 5.061 12.299 0.085 1.00 0.78 C ATOM 919 C ASP A 62 4.793 12.381 -1.417 1.00 0.68 C ATOM 920 O ASP A 62 3.703 12.050 -1.878 1.00 0.67 O ATOM 921 CB ASP A 62 4.966 13.700 0.709 1.00 0.99 C ATOM 922 CG ASP A 62 3.730 14.489 0.313 1.00 1.34 C ATOM 923 OD1 ASP A 62 3.767 15.203 -0.715 1.00 2.03 O ATOM 924 OD2 ASP A 62 2.727 14.453 1.036 1.00 1.88 O ATOM 0 H ASP A 62 6.942 12.326 1.011 1.00 0.75 H new ATOM 0 HA ASP A 62 4.305 11.636 0.506 1.00 0.78 H new ATOM 0 HB2 ASP A 62 4.985 13.601 1.794 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.851 14.270 0.425 1.00 0.99 H new ATOM 929 N ASP A 63 5.806 12.739 -2.177 1.00 0.67 N ATOM 930 CA ASP A 63 5.670 12.896 -3.631 1.00 0.67 C ATOM 931 C ASP A 63 5.528 11.557 -4.313 1.00 0.58 C ATOM 932 O ASP A 63 4.886 11.441 -5.358 1.00 0.60 O ATOM 933 CB ASP A 63 6.865 13.642 -4.235 1.00 0.85 C ATOM 934 CG ASP A 63 6.885 15.118 -3.925 1.00 1.44 C ATOM 935 OD1 ASP A 63 7.345 15.525 -2.826 1.00 2.23 O ATOM 936 OD2 ASP A 63 6.473 15.914 -4.788 1.00 1.95 O ATOM 0 H ASP A 63 6.742 12.930 -1.821 1.00 0.67 H new ATOM 0 HA ASP A 63 4.768 13.484 -3.798 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.786 13.191 -3.866 1.00 0.85 H new ATOM 0 HB3 ASP A 63 6.855 13.508 -5.317 1.00 0.85 H new ATOM 941 N VAL A 64 6.117 10.546 -3.724 1.00 0.60 N ATOM 942 CA VAL A 64 6.034 9.209 -4.259 1.00 0.64 C ATOM 943 C VAL A 64 4.690 8.617 -3.877 1.00 0.60 C ATOM 944 O VAL A 64 3.981 8.083 -4.710 1.00 0.58 O ATOM 945 CB VAL A 64 7.185 8.319 -3.745 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.116 6.934 -4.374 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.521 8.970 -4.050 1.00 0.98 C ATOM 0 H VAL A 64 6.664 10.625 -2.867 1.00 0.60 H new ATOM 0 HA VAL A 64 6.127 9.254 -5.344 1.00 0.64 H new ATOM 0 HB VAL A 64 7.083 8.209 -2.665 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.936 6.322 -3.998 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.166 6.465 -4.117 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.196 7.022 -5.457 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.327 8.335 -3.684 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.624 9.102 -5.127 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.573 9.942 -3.559 1.00 0.98 H new ATOM 957 N ALA A 65 4.325 8.763 -2.614 1.00 0.72 N ATOM 958 CA ALA A 65 3.039 8.282 -2.110 1.00 0.85 C ATOM 959 C ALA A 65 1.881 8.949 -2.850 1.00 0.80 C ATOM 960 O ALA A 65 0.822 8.362 -3.025 1.00 0.90 O ATOM 961 CB ALA A 65 2.928 8.538 -0.618 1.00 1.09 C ATOM 0 H ALA A 65 4.905 9.216 -1.908 1.00 0.72 H new ATOM 0 HA ALA A 65 2.984 7.208 -2.287 1.00 0.85 H new ATOM 0 HB1 ALA A 65 1.966 8.175 -0.257 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.731 8.015 -0.098 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.007 9.608 -0.426 1.00 1.09 H new ATOM 967 N GLY A 66 2.107 10.167 -3.306 1.00 0.73 N ATOM 968 CA GLY A 66 1.097 10.886 -4.032 1.00 0.81 C ATOM 969 C GLY A 66 1.073 10.562 -5.516 1.00 0.73 C ATOM 970 O GLY A 66 0.189 11.029 -6.230 1.00 0.92 O ATOM 0 H GLY A 66 2.984 10.673 -3.182 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.121 10.659 -3.603 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.261 11.956 -3.904 1.00 0.81 H new ATOM 974 N ARG A 67 2.043 9.799 -5.994 1.00 0.56 N ATOM 975 CA ARG A 67 2.083 9.448 -7.413 1.00 0.61 C ATOM 976 C ARG A 67 1.641 7.984 -7.617 1.00 0.58 C ATOM 977 O ARG A 67 1.264 7.579 -8.720 1.00 0.79 O ATOM 978 CB ARG A 67 3.498 9.655 -8.005 1.00 0.63 C ATOM 979 CG ARG A 67 4.468 8.531 -7.680 1.00 0.57 C ATOM 980 CD ARG A 67 5.850 8.751 -8.244 1.00 0.87 C ATOM 981 NE ARG A 67 6.561 7.478 -8.304 1.00 1.64 N ATOM 982 CZ ARG A 67 7.850 7.256 -8.048 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.639 8.219 -7.565 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.343 6.041 -8.262 1.00 3.30 N ATOM 0 H ARG A 67 2.804 9.414 -5.434 1.00 0.56 H new ATOM 0 HA ARG A 67 1.393 10.109 -7.937 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.418 9.752 -9.088 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.905 10.594 -7.630 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.538 8.423 -6.598 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.070 7.594 -8.069 1.00 0.57 H new ATOM 0 HD2 ARG A 67 5.782 9.189 -9.240 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.400 9.457 -7.622 1.00 0.87 H new ATOM 0 HE ARG A 67 6.008 6.664 -8.573 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.258 9.148 -7.384 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.623 8.026 -7.377 1.00 2.40 H new ATOM 0 HH21 ARG A 67 7.738 5.300 -8.616 1.00 3.30 H new ATOM 0 HH22 ARG A 67 9.327 5.849 -8.073 1.00 3.30 H new ATOM 998 N VAL A 68 1.700 7.202 -6.553 1.00 0.45 N ATOM 999 CA VAL A 68 1.387 5.790 -6.631 1.00 0.45 C ATOM 1000 C VAL A 68 -0.118 5.560 -6.518 1.00 0.46 C ATOM 1001 O VAL A 68 -0.728 5.731 -5.460 1.00 0.53 O ATOM 1002 CB VAL A 68 2.186 4.941 -5.568 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.679 4.993 -5.852 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.928 5.396 -4.133 1.00 0.85 C ATOM 0 H VAL A 68 1.963 7.525 -5.622 1.00 0.45 H new ATOM 0 HA VAL A 68 1.709 5.440 -7.612 1.00 0.45 H new ATOM 0 HB VAL A 68 1.825 3.917 -5.661 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.212 4.401 -5.108 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.875 4.589 -6.845 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.022 6.027 -5.807 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.504 4.776 -3.446 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.230 6.438 -4.022 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.866 5.299 -3.906 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.724 5.255 -7.629 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.153 5.001 -7.656 1.00 0.53 C ATOM 1016 C ASP A 69 -2.413 3.555 -7.541 1.00 0.42 C ATOM 1017 O ASP A 69 -3.389 3.142 -6.945 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.828 5.509 -8.913 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.867 6.992 -9.011 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -3.615 7.625 -8.248 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -2.190 7.547 -9.899 1.00 2.04 O ATOM 0 H ASP A 69 -0.259 5.174 -8.533 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.571 5.545 -6.809 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.306 5.110 -9.782 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.847 5.124 -8.949 1.00 0.71 H new ATOM 1026 N THR A 70 -1.559 2.777 -8.116 1.00 0.35 N ATOM 1027 CA THR A 70 -1.717 1.368 -8.051 1.00 0.29 C ATOM 1028 C THR A 70 -0.776 0.794 -7.001 1.00 0.26 C ATOM 1029 O THR A 70 0.360 1.285 -6.835 1.00 0.29 O ATOM 1030 CB THR A 70 -1.500 0.698 -9.432 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.251 1.117 -10.004 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.640 1.034 -10.387 1.00 0.39 C ATOM 0 H THR A 70 -0.743 3.097 -8.637 1.00 0.35 H new ATOM 0 HA THR A 70 -2.745 1.151 -7.759 1.00 0.29 H new ATOM 0 HB THR A 70 -1.479 -0.381 -9.279 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.128 0.684 -10.875 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.463 0.552 -11.348 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.582 0.677 -9.970 1.00 0.39 H new ATOM 0 HG23 THR A 70 -2.691 2.114 -10.527 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.228 -0.224 -6.243 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.403 -0.897 -5.233 1.00 0.31 C ATOM 1042 C PRO A 71 0.856 -1.479 -5.852 1.00 0.32 C ATOM 1043 O PRO A 71 1.863 -1.650 -5.183 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.312 -2.009 -4.718 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.681 -1.504 -4.980 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.592 -0.770 -6.275 1.00 0.30 C ATOM 0 HA PRO A 71 -0.063 -0.221 -4.449 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.127 -2.949 -5.238 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.152 -2.196 -3.656 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.397 -2.324 -5.042 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.017 -0.847 -4.178 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.743 -1.432 -7.127 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.342 0.018 -6.347 1.00 0.30 H new ATOM 1054 N ARG A 72 0.765 -1.776 -7.144 1.00 0.32 N ATOM 1055 CA ARG A 72 1.879 -2.230 -7.966 1.00 0.38 C ATOM 1056 C ARG A 72 3.077 -1.270 -7.811 1.00 0.35 C ATOM 1057 O ARG A 72 4.199 -1.693 -7.511 1.00 0.36 O ATOM 1058 CB ARG A 72 1.418 -2.253 -9.423 1.00 0.45 C ATOM 1059 CG ARG A 72 2.445 -2.749 -10.422 1.00 0.88 C ATOM 1060 CD ARG A 72 1.918 -2.611 -11.839 1.00 0.81 C ATOM 1061 NE ARG A 72 0.691 -3.405 -12.058 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.446 -2.960 -12.623 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.587 -1.686 -12.964 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.436 -3.802 -12.832 1.00 1.55 N ATOM 0 H ARG A 72 -0.111 -1.705 -7.662 1.00 0.32 H new ATOM 0 HA ARG A 72 2.193 -3.226 -7.653 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.531 -2.883 -9.496 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.117 -1.245 -9.707 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.369 -2.181 -10.315 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.686 -3.792 -10.217 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.711 -1.561 -12.047 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.686 -2.931 -12.543 1.00 0.81 H new ATOM 0 HE ARG A 72 0.708 -4.378 -11.753 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.174 -1.027 -12.799 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.456 -1.366 -13.391 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.337 -4.782 -12.566 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.302 -3.475 -13.260 1.00 1.55 H new ATOM 1078 N GLU A 73 2.794 0.023 -7.973 1.00 0.34 N ATOM 1079 CA GLU A 73 3.793 1.092 -7.889 1.00 0.36 C ATOM 1080 C GLU A 73 4.339 1.217 -6.469 1.00 0.32 C ATOM 1081 O GLU A 73 5.536 1.455 -6.258 1.00 0.35 O ATOM 1082 CB GLU A 73 3.158 2.418 -8.289 1.00 0.42 C ATOM 1083 CG GLU A 73 2.538 2.425 -9.667 1.00 0.60 C ATOM 1084 CD GLU A 73 1.860 3.733 -9.977 1.00 1.37 C ATOM 1085 OE1 GLU A 73 2.543 4.679 -10.480 1.00 1.78 O ATOM 1086 OE2 GLU A 73 0.640 3.842 -9.726 1.00 2.18 O ATOM 0 H GLU A 73 1.852 0.363 -8.169 1.00 0.34 H new ATOM 0 HA GLU A 73 4.612 0.846 -8.564 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.391 2.674 -7.558 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.917 3.199 -8.242 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.310 2.232 -10.412 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.813 1.615 -9.742 1.00 0.60 H new ATOM 1093 N LEU A 74 3.451 1.061 -5.506 1.00 0.31 N ATOM 1094 CA LEU A 74 3.799 1.161 -4.099 1.00 0.32 C ATOM 1095 C LEU A 74 4.717 -0.020 -3.716 1.00 0.30 C ATOM 1096 O LEU A 74 5.751 0.168 -3.078 1.00 0.31 O ATOM 1097 CB LEU A 74 2.490 1.203 -3.252 1.00 0.36 C ATOM 1098 CG LEU A 74 2.577 1.593 -1.749 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.242 0.523 -0.903 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.291 2.929 -1.579 1.00 0.44 C ATOM 0 H LEU A 74 2.465 0.861 -5.676 1.00 0.31 H new ATOM 0 HA LEU A 74 4.350 2.079 -3.897 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.808 1.903 -3.735 1.00 0.36 H new ATOM 0 HB3 LEU A 74 2.029 0.217 -3.310 1.00 0.36 H new ATOM 0 HG LEU A 74 1.552 1.689 -1.391 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.275 0.849 0.136 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.672 -0.404 -0.974 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.257 0.353 -1.263 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.341 3.183 -0.520 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.301 2.856 -1.983 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.743 3.705 -2.113 1.00 0.44 H new ATOM 1112 N LEU A 75 4.328 -1.220 -4.135 1.00 0.29 N ATOM 1113 CA LEU A 75 5.102 -2.443 -3.906 1.00 0.30 C ATOM 1114 C LEU A 75 6.494 -2.294 -4.505 1.00 0.29 C ATOM 1115 O LEU A 75 7.494 -2.692 -3.902 1.00 0.30 O ATOM 1116 CB LEU A 75 4.382 -3.648 -4.534 1.00 0.33 C ATOM 1117 CG LEU A 75 5.023 -5.021 -4.314 1.00 0.37 C ATOM 1118 CD1 LEU A 75 5.066 -5.361 -2.837 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.268 -6.091 -5.089 1.00 0.45 C ATOM 0 H LEU A 75 3.460 -1.376 -4.648 1.00 0.29 H new ATOM 0 HA LEU A 75 5.194 -2.610 -2.833 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.366 -3.680 -4.142 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.304 -3.477 -5.608 1.00 0.33 H new ATOM 0 HG LEU A 75 6.047 -4.986 -4.685 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.525 -6.340 -2.702 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.652 -4.610 -2.308 1.00 0.41 H new ATOM 0 HD13 LEU A 75 4.052 -5.378 -2.438 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.737 -7.061 -4.921 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.233 -6.125 -4.749 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.293 -5.855 -6.153 1.00 0.45 H new ATOM 1131 N ASP A 76 6.532 -1.685 -5.686 1.00 0.31 N ATOM 1132 CA ASP A 76 7.771 -1.397 -6.415 1.00 0.34 C ATOM 1133 C ASP A 76 8.711 -0.563 -5.566 1.00 0.32 C ATOM 1134 O ASP A 76 9.899 -0.832 -5.500 1.00 0.34 O ATOM 1135 CB ASP A 76 7.452 -0.657 -7.718 1.00 0.45 C ATOM 1136 CG ASP A 76 8.681 -0.255 -8.502 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.135 -1.039 -9.355 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.183 0.866 -8.311 1.00 1.25 O ATOM 0 H ASP A 76 5.693 -1.372 -6.174 1.00 0.31 H new ATOM 0 HA ASP A 76 8.261 -2.342 -6.648 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.824 -1.293 -8.343 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.871 0.236 -7.486 1.00 0.45 H new ATOM 1143 N LEU A 77 8.158 0.431 -4.898 1.00 0.32 N ATOM 1144 CA LEU A 77 8.929 1.311 -4.033 1.00 0.36 C ATOM 1145 C LEU A 77 9.521 0.534 -2.856 1.00 0.34 C ATOM 1146 O LEU A 77 10.694 0.706 -2.508 1.00 0.40 O ATOM 1147 CB LEU A 77 8.053 2.458 -3.513 1.00 0.41 C ATOM 1148 CG LEU A 77 8.719 3.437 -2.577 1.00 0.53 C ATOM 1149 CD1 LEU A 77 9.823 4.213 -3.284 1.00 0.94 C ATOM 1150 CD2 LEU A 77 7.704 4.363 -1.954 1.00 1.35 C ATOM 0 H LEU A 77 7.163 0.653 -4.938 1.00 0.32 H new ATOM 0 HA LEU A 77 9.746 1.729 -4.621 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.669 3.011 -4.370 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.193 2.027 -3.001 1.00 0.41 H new ATOM 0 HG LEU A 77 9.186 2.868 -1.773 1.00 0.53 H new ATOM 0 HD11 LEU A 77 10.284 4.910 -2.584 1.00 0.94 H new ATOM 0 HD12 LEU A 77 10.577 3.518 -3.653 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.399 4.767 -4.122 1.00 0.94 H new ATOM 0 HD21 LEU A 77 8.209 5.059 -1.284 1.00 1.35 H new ATOM 0 HD22 LEU A 77 7.192 4.921 -2.738 1.00 1.35 H new ATOM 0 HD23 LEU A 77 6.977 3.779 -1.390 1.00 1.35 H new ATOM 1162 N ILE A 78 8.718 -0.343 -2.282 1.00 0.30 N ATOM 1163 CA ILE A 78 9.132 -1.141 -1.136 1.00 0.32 C ATOM 1164 C ILE A 78 10.252 -2.087 -1.563 1.00 0.33 C ATOM 1165 O ILE A 78 11.361 -2.037 -1.023 1.00 0.39 O ATOM 1166 CB ILE A 78 7.947 -1.981 -0.575 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.752 -1.081 -0.199 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.396 -2.806 0.633 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.059 -0.020 0.845 1.00 0.42 C ATOM 0 H ILE A 78 7.764 -0.524 -2.593 1.00 0.30 H new ATOM 0 HA ILE A 78 9.477 -0.464 -0.354 1.00 0.32 H new ATOM 0 HB ILE A 78 7.620 -2.662 -1.361 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.387 -0.589 -1.101 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.942 -1.711 0.170 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.554 -3.386 1.011 1.00 0.38 H new ATOM 0 HG22 ILE A 78 9.197 -3.482 0.334 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.757 -2.139 1.416 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.161 0.564 1.046 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.393 -0.500 1.765 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.844 0.639 0.474 1.00 0.42 H new ATOM 1181 N ASN A 79 9.964 -2.923 -2.542 1.00 0.33 N ATOM 1182 CA ASN A 79 10.929 -3.905 -3.035 1.00 0.38 C ATOM 1183 C ASN A 79 12.154 -3.244 -3.641 1.00 0.38 C ATOM 1184 O ASN A 79 13.258 -3.772 -3.541 1.00 0.42 O ATOM 1185 CB ASN A 79 10.287 -4.902 -4.010 1.00 0.46 C ATOM 1186 CG ASN A 79 9.327 -5.858 -3.320 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.508 -6.204 -2.151 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.310 -6.288 -4.017 1.00 0.82 N ATOM 0 H ASN A 79 9.063 -2.946 -3.020 1.00 0.33 H new ATOM 0 HA ASN A 79 11.266 -4.474 -2.168 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.753 -4.353 -4.786 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.070 -5.475 -4.507 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.638 -6.929 -3.596 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.188 -5.983 -4.983 1.00 0.82 H new ATOM 1195 N GLY A 80 11.967 -2.072 -4.225 1.00 0.38 N ATOM 1196 CA GLY A 80 13.076 -1.310 -4.770 1.00 0.46 C ATOM 1197 C GLY A 80 14.020 -0.849 -3.674 1.00 0.50 C ATOM 1198 O GLY A 80 15.246 -0.842 -3.854 1.00 0.62 O ATOM 0 H GLY A 80 11.055 -1.628 -4.333 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.621 -1.921 -5.489 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.694 -0.445 -5.312 1.00 0.46 H new ATOM 1202 N ALA A 81 13.458 -0.481 -2.531 1.00 0.47 N ATOM 1203 CA ALA A 81 14.247 -0.082 -1.378 1.00 0.57 C ATOM 1204 C ALA A 81 14.913 -1.304 -0.745 1.00 0.62 C ATOM 1205 O ALA A 81 16.007 -1.217 -0.205 1.00 0.80 O ATOM 1206 CB ALA A 81 13.387 0.654 -0.363 1.00 0.59 C ATOM 0 H ALA A 81 12.450 -0.451 -2.379 1.00 0.47 H new ATOM 0 HA ALA A 81 15.027 0.602 -1.712 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.999 0.943 0.491 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.963 1.546 -0.824 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.581 0.001 -0.028 1.00 0.59 H new ATOM 1212 N LEU A 82 14.251 -2.448 -0.837 1.00 0.54 N ATOM 1213 CA LEU A 82 14.814 -3.706 -0.338 1.00 0.61 C ATOM 1214 C LEU A 82 15.987 -4.137 -1.224 1.00 0.74 C ATOM 1215 O LEU A 82 17.006 -4.635 -0.737 1.00 0.89 O ATOM 1216 CB LEU A 82 13.747 -4.812 -0.285 1.00 0.54 C ATOM 1217 CG LEU A 82 12.531 -4.542 0.614 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.554 -5.703 0.553 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.960 -4.287 2.051 1.00 0.68 C ATOM 0 H LEU A 82 13.323 -2.537 -1.252 1.00 0.54 H new ATOM 0 HA LEU A 82 15.173 -3.542 0.678 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.390 -4.992 -1.299 1.00 0.54 H new ATOM 0 HB3 LEU A 82 14.224 -5.732 0.052 1.00 0.54 H new ATOM 0 HG LEU A 82 12.032 -3.646 0.244 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.699 -5.493 1.196 1.00 0.63 H new ATOM 0 HD12 LEU A 82 11.212 -5.837 -0.473 1.00 0.63 H new ATOM 0 HD13 LEU A 82 12.049 -6.613 0.892 1.00 0.63 H new ATOM 0 HD21 LEU A 82 12.080 -4.099 2.666 1.00 0.68 H new ATOM 0 HD22 LEU A 82 13.489 -5.160 2.433 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.619 -3.419 2.086 1.00 0.68 H new