USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 87:sc= 2.61 USER MOD Set 1.2: A 40 TYR OH : rot 85:sc= 2.08 USER MOD Set 1.3: A 48 THR OG1 : rot -35:sc= 1.17 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -176:sc= -0.111 (180deg=-0.122) USER MOD Single : A 54 SER OG : rot 103:sc= 1.22 USER MOD Single : A 56 TYR OH : rot -129:sc= 1.26 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.1 K(o=-0.1,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.202 7.028 0.978 1.00 0.91 N ATOM 45 CA LEU A 4 11.099 6.253 1.499 1.00 0.65 C ATOM 46 C LEU A 4 9.779 6.926 1.185 1.00 0.63 C ATOM 47 O LEU A 4 9.742 8.106 0.810 1.00 0.84 O ATOM 48 CB LEU A 4 11.232 6.075 3.018 1.00 0.62 C ATOM 49 CG LEU A 4 12.527 5.435 3.534 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.451 5.231 5.036 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.813 4.120 2.829 1.00 0.51 C ATOM 0 HA LEU A 4 11.124 5.274 1.021 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.130 7.055 3.484 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.394 5.469 3.363 1.00 0.62 H new ATOM 0 HG LEU A 4 13.350 6.114 3.313 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.377 4.776 5.389 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.310 6.194 5.527 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.612 4.576 5.272 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.737 3.692 3.218 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.990 3.427 3.005 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.917 4.296 1.758 1.00 0.51 H new ATOM 63 N LEU A 5 8.714 6.201 1.371 1.00 0.44 N ATOM 64 CA LEU A 5 7.391 6.689 1.115 1.00 0.40 C ATOM 65 C LEU A 5 6.829 7.326 2.362 1.00 0.35 C ATOM 66 O LEU A 5 7.039 6.831 3.487 1.00 0.41 O ATOM 67 CB LEU A 5 6.459 5.552 0.689 1.00 0.41 C ATOM 68 CG LEU A 5 6.870 4.732 -0.521 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.838 3.662 -0.803 1.00 0.72 C ATOM 70 CD2 LEU A 5 7.063 5.617 -1.728 1.00 0.81 C ATOM 0 H LEU A 5 8.741 5.239 1.710 1.00 0.44 H new ATOM 0 HA LEU A 5 7.456 7.421 0.310 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.347 4.873 1.534 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.476 5.978 0.490 1.00 0.41 H new ATOM 0 HG LEU A 5 7.822 4.248 -0.303 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.145 3.081 -1.673 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.751 3.003 0.061 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.874 4.130 -1.001 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.357 5.008 -2.583 1.00 0.81 H new ATOM 0 HD22 LEU A 5 6.130 6.133 -1.954 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.842 6.351 -1.520 1.00 0.81 H new ATOM 82 N THR A 6 6.150 8.404 2.165 1.00 0.37 N ATOM 83 CA THR A 6 5.466 9.098 3.208 1.00 0.42 C ATOM 84 C THR A 6 3.985 8.713 3.176 1.00 0.35 C ATOM 85 O THR A 6 3.559 7.988 2.249 1.00 0.34 O ATOM 86 CB THR A 6 5.627 10.622 3.018 1.00 0.59 C ATOM 87 OG1 THR A 6 5.409 10.953 1.619 1.00 0.65 O ATOM 88 CG2 THR A 6 7.015 11.083 3.441 1.00 0.72 C ATOM 0 H THR A 6 6.051 8.841 1.249 1.00 0.37 H new ATOM 0 HA THR A 6 5.890 8.823 4.174 1.00 0.42 H new ATOM 0 HB THR A 6 4.894 11.131 3.644 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.508 11.920 1.492 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.100 12.160 3.297 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.173 10.844 4.493 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.767 10.575 2.837 1.00 0.72 H new ATOM 96 N THR A 7 3.209 9.183 4.147 1.00 0.40 N ATOM 97 CA THR A 7 1.771 8.934 4.189 1.00 0.43 C ATOM 98 C THR A 7 1.125 9.408 2.886 1.00 0.41 C ATOM 99 O THR A 7 0.362 8.690 2.271 1.00 0.43 O ATOM 100 CB THR A 7 1.126 9.675 5.376 1.00 0.58 C ATOM 101 OG1 THR A 7 1.826 9.346 6.588 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.339 9.278 5.533 1.00 0.66 C ATOM 0 H THR A 7 3.556 9.745 4.924 1.00 0.40 H new ATOM 0 HA THR A 7 1.611 7.863 4.312 1.00 0.43 H new ATOM 0 HB THR A 7 1.186 10.746 5.182 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.416 9.819 7.342 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.773 9.814 6.377 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.884 9.531 4.624 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.408 8.205 5.710 1.00 0.66 H new ATOM 110 N ASP A 8 1.464 10.622 2.485 1.00 0.44 N ATOM 111 CA ASP A 8 0.950 11.243 1.264 1.00 0.51 C ATOM 112 C ASP A 8 1.247 10.421 0.016 1.00 0.47 C ATOM 113 O ASP A 8 0.359 10.225 -0.842 1.00 0.52 O ATOM 114 CB ASP A 8 1.534 12.639 1.100 1.00 0.63 C ATOM 115 CG ASP A 8 1.237 13.230 -0.249 1.00 1.46 C ATOM 116 OD1 ASP A 8 0.091 13.650 -0.482 1.00 1.63 O ATOM 117 OD2 ASP A 8 2.146 13.272 -1.104 1.00 2.38 O ATOM 0 H ASP A 8 2.112 11.216 3.002 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.133 11.298 1.372 1.00 0.51 H new ATOM 0 HB2 ASP A 8 1.132 13.291 1.876 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.613 12.598 1.246 1.00 0.63 H new ATOM 122 N ASP A 9 2.466 9.916 -0.079 1.00 0.45 N ATOM 123 CA ASP A 9 2.882 9.160 -1.267 1.00 0.49 C ATOM 124 C ASP A 9 2.107 7.854 -1.318 1.00 0.47 C ATOM 125 O ASP A 9 1.631 7.432 -2.368 1.00 0.56 O ATOM 126 CB ASP A 9 4.387 8.873 -1.247 1.00 0.60 C ATOM 127 CG ASP A 9 4.947 8.573 -2.630 1.00 1.11 C ATOM 128 OD1 ASP A 9 4.805 7.455 -3.142 1.00 2.00 O ATOM 129 OD2 ASP A 9 5.545 9.490 -3.239 1.00 1.08 O ATOM 0 H ASP A 9 3.184 10.010 0.639 1.00 0.45 H new ATOM 0 HA ASP A 9 2.670 9.758 -2.153 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.911 9.731 -0.826 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.582 8.026 -0.589 1.00 0.60 H new ATOM 134 N LEU A 10 1.941 7.251 -0.155 1.00 0.42 N ATOM 135 CA LEU A 10 1.165 6.039 -0.025 1.00 0.44 C ATOM 136 C LEU A 10 -0.316 6.332 -0.306 1.00 0.42 C ATOM 137 O LEU A 10 -0.989 5.560 -0.968 1.00 0.50 O ATOM 138 CB LEU A 10 1.321 5.460 1.383 1.00 0.45 C ATOM 139 CG LEU A 10 0.586 4.146 1.654 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.180 3.009 0.840 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.599 3.819 3.130 1.00 0.80 C ATOM 0 H LEU A 10 2.340 7.589 0.721 1.00 0.42 H new ATOM 0 HA LEU A 10 1.529 5.310 -0.749 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.383 5.305 1.575 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.972 6.203 2.100 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.451 4.271 1.344 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.638 2.087 1.053 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.099 3.241 -0.222 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.230 2.882 1.105 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.071 2.881 3.299 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.629 3.722 3.472 1.00 0.80 H new ATOM 0 HD23 LEU A 10 0.106 4.618 3.684 1.00 0.80 H new ATOM 153 N ARG A 11 -0.795 7.462 0.201 1.00 0.40 N ATOM 154 CA ARG A 11 -2.184 7.896 0.040 1.00 0.41 C ATOM 155 C ARG A 11 -2.584 7.892 -1.420 1.00 0.40 C ATOM 156 O ARG A 11 -3.582 7.272 -1.801 1.00 0.42 O ATOM 157 CB ARG A 11 -2.389 9.301 0.606 1.00 0.48 C ATOM 158 CG ARG A 11 -3.846 9.709 0.681 1.00 0.58 C ATOM 159 CD ARG A 11 -4.000 11.195 0.924 1.00 0.72 C ATOM 160 NE ARG A 11 -3.439 11.611 2.201 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.073 12.849 2.520 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.192 13.847 1.636 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.600 13.081 3.743 1.00 2.57 N ATOM 0 H ARG A 11 -0.226 8.113 0.742 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.809 7.192 0.590 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.953 9.351 1.604 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.850 10.017 -0.014 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.348 9.438 -0.248 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.338 9.157 1.482 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -3.511 11.744 0.120 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -5.057 11.458 0.892 1.00 0.72 H new ATOM 0 HE ARG A 11 -3.316 10.891 2.913 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -3.567 13.662 0.706 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -2.908 14.792 1.893 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.524 12.317 4.414 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -2.313 14.023 4.009 1.00 2.57 H new ATOM 177 N ARG A 12 -1.804 8.588 -2.234 1.00 0.43 N ATOM 178 CA ARG A 12 -2.059 8.646 -3.662 1.00 0.49 C ATOM 179 C ARG A 12 -1.976 7.282 -4.326 1.00 0.49 C ATOM 180 O ARG A 12 -2.655 7.042 -5.306 1.00 0.59 O ATOM 181 CB ARG A 12 -1.212 9.694 -4.388 1.00 0.64 C ATOM 182 CG ARG A 12 0.277 9.603 -4.163 1.00 0.85 C ATOM 183 CD ARG A 12 1.040 10.562 -5.061 1.00 1.00 C ATOM 184 NE ARG A 12 0.592 11.955 -4.936 1.00 1.77 N ATOM 185 CZ ARG A 12 1.338 13.024 -5.188 1.00 2.43 C ATOM 186 NH1 ARG A 12 2.636 12.899 -5.441 1.00 2.51 N ATOM 187 NH2 ARG A 12 0.785 14.220 -5.155 1.00 3.48 N ATOM 0 H ARG A 12 -0.989 9.120 -1.928 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.092 8.980 -3.757 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.405 9.612 -5.458 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.548 10.684 -4.078 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.502 9.824 -3.120 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.612 8.583 -4.352 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.102 10.506 -4.822 1.00 1.00 H new ATOM 0 HD3 ARG A 12 0.930 10.244 -6.098 1.00 1.00 H new ATOM 0 HE ARG A 12 -0.368 12.114 -4.631 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.069 11.975 -5.443 1.00 2.51 H new ATOM 0 HH12 ARG A 12 3.200 13.727 -5.633 1.00 2.51 H new ATOM 0 HH21 ARG A 12 -0.207 14.317 -4.937 1.00 3.48 H new ATOM 0 HH22 ARG A 12 1.349 15.048 -5.347 1.00 3.48 H new ATOM 201 N ALA A 13 -1.155 6.396 -3.777 1.00 0.50 N ATOM 202 CA ALA A 13 -1.036 5.032 -4.278 1.00 0.59 C ATOM 203 C ALA A 13 -2.329 4.265 -4.030 1.00 0.55 C ATOM 204 O ALA A 13 -2.766 3.481 -4.862 1.00 0.65 O ATOM 205 CB ALA A 13 0.130 4.326 -3.642 1.00 0.70 C ATOM 0 H ALA A 13 -0.556 6.600 -2.977 1.00 0.50 H new ATOM 0 HA ALA A 13 -0.857 5.075 -5.352 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.197 3.310 -4.032 1.00 0.70 H new ATOM 0 HB2 ALA A 13 1.050 4.864 -3.870 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.011 4.291 -2.562 1.00 0.70 H new ATOM 211 N LEU A 14 -2.933 4.492 -2.878 1.00 0.47 N ATOM 212 CA LEU A 14 -4.239 3.922 -2.590 1.00 0.48 C ATOM 213 C LEU A 14 -5.276 4.549 -3.512 1.00 0.53 C ATOM 214 O LEU A 14 -6.156 3.886 -4.014 1.00 0.70 O ATOM 215 CB LEU A 14 -4.643 4.100 -1.109 1.00 0.48 C ATOM 216 CG LEU A 14 -4.100 3.077 -0.075 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.600 1.678 -0.375 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.590 3.085 0.008 1.00 0.92 C ATOM 0 H LEU A 14 -2.543 5.064 -2.129 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.187 2.848 -2.771 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.325 5.094 -0.794 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.732 4.082 -1.056 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.483 3.388 0.897 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -4.203 0.983 0.365 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.689 1.665 -0.338 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.267 1.378 -1.369 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -2.262 2.352 0.745 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.171 2.833 -0.966 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.247 4.076 0.305 1.00 0.92 H new ATOM 230 N VAL A 15 -5.168 5.836 -3.716 1.00 0.49 N ATOM 231 CA VAL A 15 -6.025 6.545 -4.656 1.00 0.60 C ATOM 232 C VAL A 15 -5.834 6.053 -6.146 1.00 0.66 C ATOM 233 O VAL A 15 -6.699 6.257 -7.008 1.00 0.87 O ATOM 234 CB VAL A 15 -5.950 8.108 -4.458 1.00 0.64 C ATOM 235 CG1 VAL A 15 -6.711 8.882 -5.523 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.514 8.460 -3.091 1.00 0.84 C ATOM 0 H VAL A 15 -4.488 6.429 -3.241 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.057 6.282 -4.422 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.901 8.394 -4.542 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -6.620 9.951 -5.330 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -6.296 8.654 -6.505 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -7.763 8.597 -5.498 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.466 9.539 -2.945 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.551 8.131 -3.030 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.929 7.963 -2.317 1.00 0.84 H new ATOM 246 N GLU A 16 -4.727 5.341 -6.406 1.00 0.64 N ATOM 247 CA GLU A 16 -4.445 4.776 -7.730 1.00 0.77 C ATOM 248 C GLU A 16 -5.379 3.614 -8.021 1.00 0.70 C ATOM 249 O GLU A 16 -6.106 3.625 -9.012 1.00 0.81 O ATOM 250 CB GLU A 16 -3.007 4.237 -7.805 1.00 0.95 C ATOM 251 CG GLU A 16 -1.914 5.272 -7.735 1.00 1.63 C ATOM 252 CD GLU A 16 -1.918 6.157 -8.921 1.00 1.66 C ATOM 253 OE1 GLU A 16 -1.637 5.699 -10.033 1.00 2.10 O ATOM 254 OE2 GLU A 16 -2.219 7.342 -8.762 1.00 1.92 O ATOM 0 H GLU A 16 -4.009 5.143 -5.709 1.00 0.64 H new ATOM 0 HA GLU A 16 -4.585 5.577 -8.456 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -2.862 3.527 -6.990 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -2.896 3.681 -8.736 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.039 5.872 -6.834 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -0.947 4.775 -7.656 1.00 1.63 H new ATOM 261 N SER A 17 -5.404 2.655 -7.114 1.00 0.58 N ATOM 262 CA SER A 17 -6.173 1.434 -7.273 1.00 0.61 C ATOM 263 C SER A 17 -7.664 1.675 -7.004 1.00 0.69 C ATOM 264 O SER A 17 -8.522 0.851 -7.324 1.00 0.82 O ATOM 265 CB SER A 17 -5.558 0.383 -6.353 1.00 0.57 C ATOM 266 OG SER A 17 -5.281 0.967 -5.093 1.00 1.00 O ATOM 0 H SER A 17 -4.886 2.702 -6.237 1.00 0.58 H new ATOM 0 HA SER A 17 -6.128 1.075 -8.301 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.242 -0.458 -6.234 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.642 -0.011 -6.793 1.00 0.57 H new ATOM 0 HG SER A 17 -6.077 0.911 -4.524 1.00 1.00 H new ATOM 400 N ASP A 29 -7.749 9.961 4.863 1.00 0.68 N ATOM 401 CA ASP A 29 -7.126 9.235 5.968 1.00 0.75 C ATOM 402 C ASP A 29 -7.545 7.775 5.907 1.00 0.61 C ATOM 403 O ASP A 29 -8.715 7.463 5.677 1.00 0.71 O ATOM 404 CB ASP A 29 -7.491 9.863 7.320 1.00 1.18 C ATOM 405 CG ASP A 29 -6.858 9.148 8.496 1.00 1.63 C ATOM 406 OD1 ASP A 29 -5.647 9.312 8.725 1.00 2.14 O ATOM 407 OD2 ASP A 29 -7.557 8.401 9.208 1.00 2.17 O ATOM 0 HA ASP A 29 -6.042 9.298 5.870 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -7.178 10.907 7.326 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -8.575 9.855 7.437 1.00 1.18 H new ATOM 412 N PHE A 30 -6.589 6.898 6.082 1.00 0.48 N ATOM 413 CA PHE A 30 -6.794 5.450 5.869 1.00 0.41 C ATOM 414 C PHE A 30 -5.700 4.630 6.570 1.00 0.34 C ATOM 415 O PHE A 30 -5.896 3.472 6.891 1.00 0.34 O ATOM 416 CB PHE A 30 -6.716 5.157 4.340 1.00 0.47 C ATOM 417 CG PHE A 30 -5.346 5.477 3.750 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.978 6.782 3.483 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.461 4.468 3.423 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.759 7.066 2.904 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.253 4.749 2.840 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.819 6.070 2.779 1.00 0.60 C ATOM 0 H PHE A 30 -5.644 7.145 6.375 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.765 5.172 6.279 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.947 4.107 4.163 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.476 5.742 3.822 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.652 7.588 3.730 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.725 3.441 3.630 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.544 8.064 2.551 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.645 3.955 2.433 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.775 6.306 2.638 1.00 0.60 H new ATOM 432 N LEU A 31 -4.554 5.280 6.782 1.00 0.36 N ATOM 433 CA LEU A 31 -3.298 4.686 7.236 1.00 0.36 C ATOM 434 C LEU A 31 -3.428 3.743 8.450 1.00 0.35 C ATOM 435 O LEU A 31 -2.729 2.723 8.525 1.00 0.37 O ATOM 436 CB LEU A 31 -2.306 5.819 7.536 1.00 0.44 C ATOM 437 CG LEU A 31 -0.859 5.421 7.828 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.184 4.902 6.575 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.082 6.589 8.408 1.00 0.64 C ATOM 0 H LEU A 31 -4.474 6.286 6.634 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.941 4.046 6.429 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.304 6.500 6.685 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.682 6.379 8.392 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.872 4.621 8.568 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.845 4.624 6.804 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.722 4.029 6.207 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.188 5.679 5.811 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.944 6.280 8.607 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.081 7.415 7.696 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.551 6.912 9.338 1.00 0.64 H new ATOM 451 N ASP A 32 -4.315 4.061 9.362 1.00 0.38 N ATOM 452 CA ASP A 32 -4.426 3.307 10.610 1.00 0.45 C ATOM 453 C ASP A 32 -5.585 2.322 10.567 1.00 0.41 C ATOM 454 O ASP A 32 -5.758 1.512 11.484 1.00 0.47 O ATOM 455 CB ASP A 32 -4.626 4.259 11.797 1.00 0.64 C ATOM 456 CG ASP A 32 -3.658 5.418 11.803 1.00 1.55 C ATOM 457 OD1 ASP A 32 -2.435 5.179 11.964 1.00 2.06 O ATOM 458 OD2 ASP A 32 -4.086 6.581 11.689 1.00 2.29 O ATOM 0 H ASP A 32 -4.975 4.834 9.274 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.497 2.751 10.733 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -5.645 4.646 11.776 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -4.517 3.699 12.726 1.00 0.64 H new ATOM 463 N LEU A 33 -6.371 2.394 9.520 1.00 0.41 N ATOM 464 CA LEU A 33 -7.535 1.536 9.356 1.00 0.45 C ATOM 465 C LEU A 33 -7.128 0.239 8.676 1.00 0.44 C ATOM 466 O LEU A 33 -6.033 0.136 8.145 1.00 0.56 O ATOM 467 CB LEU A 33 -8.650 2.234 8.525 1.00 0.51 C ATOM 468 CG LEU A 33 -9.414 3.421 9.166 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.529 4.629 9.398 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.604 3.806 8.309 1.00 1.61 C ATOM 0 H LEU A 33 -6.227 3.049 8.752 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.936 1.325 10.348 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.200 2.591 7.599 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.384 1.476 8.251 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.759 3.083 10.143 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -9.116 5.429 9.848 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.712 4.358 10.067 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -8.121 4.970 8.446 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -11.131 4.641 8.772 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.259 4.099 7.318 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.279 2.955 8.221 1.00 1.61 H new ATOM 482 N ARG A 34 -7.977 -0.756 8.725 1.00 0.45 N ATOM 483 CA ARG A 34 -7.707 -2.001 8.015 1.00 0.50 C ATOM 484 C ARG A 34 -8.033 -1.817 6.557 1.00 0.45 C ATOM 485 O ARG A 34 -8.959 -1.073 6.232 1.00 0.54 O ATOM 486 CB ARG A 34 -8.567 -3.141 8.561 1.00 0.71 C ATOM 487 CG ARG A 34 -8.318 -3.474 10.002 1.00 1.08 C ATOM 488 CD ARG A 34 -6.914 -3.979 10.227 1.00 1.18 C ATOM 489 NE ARG A 34 -6.669 -4.223 11.660 1.00 1.90 N ATOM 490 CZ ARG A 34 -5.479 -4.427 12.254 1.00 2.49 C ATOM 491 NH1 ARG A 34 -4.362 -4.308 11.579 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.417 -4.717 13.543 1.00 3.35 N ATOM 0 H ARG A 34 -8.856 -0.739 9.242 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.655 -2.252 8.151 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -9.617 -2.877 8.439 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.390 -4.033 7.960 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -8.488 -2.588 10.614 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -9.033 -4.229 10.329 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -6.760 -4.900 9.665 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.196 -3.251 9.849 1.00 1.18 H new ATOM 0 HE ARG A 34 -7.489 -4.239 12.266 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -4.388 -4.058 10.590 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -3.467 -4.466 12.042 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -6.274 -4.787 14.092 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -4.512 -4.871 13.988 1.00 3.35 H new ATOM 506 N PHE A 35 -7.280 -2.466 5.674 1.00 0.40 N ATOM 507 CA PHE A 35 -7.608 -2.460 4.237 1.00 0.40 C ATOM 508 C PHE A 35 -9.033 -2.933 4.048 1.00 0.46 C ATOM 509 O PHE A 35 -9.800 -2.351 3.297 1.00 0.49 O ATOM 510 CB PHE A 35 -6.674 -3.345 3.427 1.00 0.39 C ATOM 511 CG PHE A 35 -5.256 -2.921 3.466 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.767 -1.995 2.563 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.409 -3.451 4.404 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.446 -1.612 2.603 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.097 -3.080 4.451 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.608 -2.159 3.550 1.00 0.48 C ATOM 0 H PHE A 35 -6.445 -3.000 5.916 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.489 -1.438 3.876 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.747 -4.367 3.798 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.010 -3.357 2.390 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.426 -1.569 1.821 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.785 -4.172 5.115 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.069 -0.887 1.897 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.441 -3.508 5.195 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.569 -1.866 3.586 1.00 0.48 H new ATOM 526 N GLU A 36 -9.371 -3.987 4.775 1.00 0.58 N ATOM 527 CA GLU A 36 -10.692 -4.563 4.817 1.00 0.74 C ATOM 528 C GLU A 36 -11.731 -3.471 5.134 1.00 0.75 C ATOM 529 O GLU A 36 -12.798 -3.410 4.523 1.00 0.84 O ATOM 530 CB GLU A 36 -10.660 -5.640 5.919 1.00 0.92 C ATOM 531 CG GLU A 36 -11.861 -6.559 6.035 1.00 1.14 C ATOM 532 CD GLU A 36 -13.134 -5.893 6.514 1.00 1.56 C ATOM 533 OE1 GLU A 36 -13.184 -5.429 7.681 1.00 1.93 O ATOM 534 OE2 GLU A 36 -14.113 -5.817 5.735 1.00 2.26 O ATOM 0 H GLU A 36 -8.704 -4.477 5.371 1.00 0.58 H new ATOM 0 HA GLU A 36 -10.974 -5.003 3.860 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -9.777 -6.259 5.759 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -10.527 -5.137 6.877 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -12.049 -7.010 5.061 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -11.614 -7.370 6.720 1.00 1.14 H new ATOM 541 N ASP A 37 -11.368 -2.564 6.009 1.00 0.70 N ATOM 542 CA ASP A 37 -12.303 -1.560 6.473 1.00 0.77 C ATOM 543 C ASP A 37 -12.395 -0.393 5.484 1.00 0.71 C ATOM 544 O ASP A 37 -13.411 0.296 5.416 1.00 0.80 O ATOM 545 CB ASP A 37 -11.879 -1.061 7.847 1.00 0.85 C ATOM 546 CG ASP A 37 -12.919 -0.201 8.506 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.896 -0.734 9.066 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.804 1.039 8.419 1.00 2.27 O ATOM 0 H ASP A 37 -10.435 -2.498 6.415 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.292 -2.013 6.545 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.664 -1.916 8.488 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -10.953 -0.493 7.752 1.00 0.85 H new ATOM 553 N ILE A 38 -11.370 -0.216 4.676 1.00 0.62 N ATOM 554 CA ILE A 38 -11.351 0.870 3.696 1.00 0.65 C ATOM 555 C ILE A 38 -11.761 0.393 2.297 1.00 0.69 C ATOM 556 O ILE A 38 -11.560 1.094 1.296 1.00 0.75 O ATOM 557 CB ILE A 38 -9.980 1.614 3.630 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.842 0.626 3.328 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.722 2.371 4.926 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.455 1.233 3.262 1.00 0.56 C ATOM 0 H ILE A 38 -10.537 -0.805 4.672 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.093 1.586 4.049 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.017 2.340 2.817 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.845 -0.150 4.094 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.052 0.136 2.377 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.762 2.884 4.863 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.515 3.102 5.084 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.704 1.669 5.760 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.726 0.452 3.044 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.425 1.987 2.476 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.215 1.697 4.219 1.00 0.56 H new ATOM 572 N GLY A 39 -12.408 -0.760 2.243 1.00 0.72 N ATOM 573 CA GLY A 39 -12.908 -1.290 0.980 1.00 0.81 C ATOM 574 C GLY A 39 -11.825 -1.912 0.118 1.00 0.67 C ATOM 575 O GLY A 39 -11.979 -2.032 -1.113 1.00 0.72 O ATOM 0 H GLY A 39 -12.600 -1.347 3.055 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.673 -2.039 1.186 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.390 -0.487 0.422 1.00 0.81 H new ATOM 579 N TYR A 40 -10.732 -2.290 0.740 1.00 0.57 N ATOM 580 CA TYR A 40 -9.623 -2.878 0.052 1.00 0.54 C ATOM 581 C TYR A 40 -9.549 -4.372 0.179 1.00 0.64 C ATOM 582 O TYR A 40 -9.173 -4.923 1.226 1.00 0.79 O ATOM 583 CB TYR A 40 -8.304 -2.185 0.378 1.00 0.55 C ATOM 584 CG TYR A 40 -8.028 -1.102 -0.600 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.825 0.032 -0.674 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.029 -1.257 -1.517 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.603 0.979 -1.642 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.815 -0.335 -2.491 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.595 0.775 -2.553 1.00 0.89 C ATOM 590 OH TYR A 40 -7.383 1.662 -3.554 1.00 1.12 O ATOM 0 H TYR A 40 -10.594 -2.194 1.746 1.00 0.57 H new ATOM 0 HA TYR A 40 -9.812 -2.701 -1.007 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.343 -1.771 1.386 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.492 -2.912 0.363 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.627 0.170 0.036 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.396 -2.131 -1.467 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.211 1.870 -1.687 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -6.027 -0.484 -3.214 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.819 2.394 -3.228 1.00 1.12 H new ATOM 600 N ASP A 41 -9.932 -5.013 -0.891 1.00 0.68 N ATOM 601 CA ASP A 41 -9.908 -6.450 -1.016 1.00 0.90 C ATOM 602 C ASP A 41 -8.549 -6.865 -1.595 1.00 1.04 C ATOM 603 O ASP A 41 -7.696 -5.992 -1.851 1.00 1.93 O ATOM 604 CB ASP A 41 -11.035 -6.911 -1.946 1.00 1.00 C ATOM 605 CG ASP A 41 -10.773 -6.584 -3.401 1.00 1.48 C ATOM 606 OD1 ASP A 41 -11.028 -5.430 -3.806 1.00 2.20 O ATOM 607 OD2 ASP A 41 -10.334 -7.467 -4.158 1.00 2.00 O ATOM 0 H ASP A 41 -10.280 -4.540 -1.725 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.053 -6.912 -0.040 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.169 -7.988 -1.840 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -11.969 -6.442 -1.636 1.00 1.00 H new ATOM 612 N SER A 42 -8.349 -8.167 -1.812 1.00 0.72 N ATOM 613 CA SER A 42 -7.090 -8.694 -2.329 1.00 0.68 C ATOM 614 C SER A 42 -6.652 -8.028 -3.660 1.00 0.54 C ATOM 615 O SER A 42 -5.487 -7.677 -3.830 1.00 0.51 O ATOM 616 CB SER A 42 -7.119 -10.234 -2.436 1.00 0.82 C ATOM 617 OG SER A 42 -8.143 -10.681 -3.388 1.00 0.86 O ATOM 0 H SER A 42 -9.055 -8.881 -1.634 1.00 0.72 H new ATOM 0 HA SER A 42 -6.326 -8.430 -1.598 1.00 0.68 H new ATOM 0 HB2 SER A 42 -6.141 -10.598 -2.752 1.00 0.82 H new ATOM 0 HB3 SER A 42 -7.318 -10.666 -1.455 1.00 0.82 H new ATOM 0 HG SER A 42 -8.139 -11.660 -3.438 1.00 0.86 H new ATOM 622 N LEU A 43 -7.602 -7.807 -4.563 1.00 0.52 N ATOM 623 CA LEU A 43 -7.299 -7.244 -5.873 1.00 0.48 C ATOM 624 C LEU A 43 -6.962 -5.770 -5.721 1.00 0.39 C ATOM 625 O LEU A 43 -5.992 -5.281 -6.293 1.00 0.37 O ATOM 626 CB LEU A 43 -8.498 -7.466 -6.845 1.00 0.64 C ATOM 627 CG LEU A 43 -8.334 -7.090 -8.353 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.495 -7.660 -9.144 1.00 1.64 C ATOM 629 CD2 LEU A 43 -8.283 -5.571 -8.584 1.00 1.57 C ATOM 0 H LEU A 43 -8.590 -8.010 -4.411 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.434 -7.750 -6.303 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.769 -8.521 -6.797 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.345 -6.901 -6.456 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.385 -7.511 -8.685 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -9.382 -7.398 -10.196 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.509 -8.745 -9.039 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -10.430 -7.247 -8.766 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.168 -5.369 -9.649 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -9.207 -5.117 -8.226 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -7.437 -5.149 -8.041 1.00 1.57 H new ATOM 641 N ALA A 44 -7.748 -5.079 -4.942 1.00 0.41 N ATOM 642 CA ALA A 44 -7.546 -3.666 -4.739 1.00 0.39 C ATOM 643 C ALA A 44 -6.185 -3.378 -4.089 1.00 0.34 C ATOM 644 O ALA A 44 -5.432 -2.534 -4.571 1.00 0.35 O ATOM 645 CB ALA A 44 -8.687 -3.084 -3.925 1.00 0.49 C ATOM 0 H ALA A 44 -8.540 -5.472 -4.433 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.539 -3.179 -5.714 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.522 -2.016 -3.779 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.627 -3.237 -4.455 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.732 -3.580 -2.956 1.00 0.49 H new ATOM 651 N LEU A 45 -5.859 -4.118 -3.028 1.00 0.37 N ATOM 652 CA LEU A 45 -4.610 -3.907 -2.279 1.00 0.42 C ATOM 653 C LEU A 45 -3.396 -4.213 -3.177 1.00 0.39 C ATOM 654 O LEU A 45 -2.416 -3.460 -3.195 1.00 0.43 O ATOM 655 CB LEU A 45 -4.599 -4.807 -1.010 1.00 0.54 C ATOM 656 CG LEU A 45 -3.640 -4.438 0.170 1.00 0.57 C ATOM 657 CD1 LEU A 45 -3.809 -5.420 1.303 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.171 -4.389 -0.224 1.00 0.94 C ATOM 0 H LEU A 45 -6.442 -4.872 -2.664 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.549 -2.865 -1.966 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.614 -4.831 -0.614 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.356 -5.821 -1.327 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.923 -3.432 0.479 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.137 -5.154 2.119 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -4.839 -5.392 1.658 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.573 -6.425 0.952 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.569 -4.127 0.646 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -1.862 -5.365 -0.598 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -2.028 -3.640 -1.003 1.00 0.94 H new ATOM 670 N MET A 46 -3.472 -5.303 -3.935 1.00 0.36 N ATOM 671 CA MET A 46 -2.353 -5.713 -4.791 1.00 0.41 C ATOM 672 C MET A 46 -2.116 -4.692 -5.881 1.00 0.39 C ATOM 673 O MET A 46 -0.999 -4.491 -6.302 1.00 0.49 O ATOM 674 CB MET A 46 -2.581 -7.116 -5.392 1.00 0.43 C ATOM 675 CG MET A 46 -3.687 -7.196 -6.433 1.00 0.34 C ATOM 676 SD MET A 46 -3.156 -6.768 -8.114 1.00 0.73 S ATOM 677 CE MET A 46 -4.694 -6.968 -9.008 1.00 1.38 C ATOM 0 H MET A 46 -4.286 -5.916 -3.977 1.00 0.36 H new ATOM 0 HA MET A 46 -1.461 -5.767 -4.167 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.650 -7.456 -5.846 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.813 -7.808 -4.583 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.093 -8.207 -6.439 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.497 -6.529 -6.139 1.00 0.34 H new ATOM 0 HE1 MET A 46 -4.519 -6.810 -10.072 1.00 1.38 H new ATOM 0 HE2 MET A 46 -5.079 -7.975 -8.849 1.00 1.38 H new ATOM 0 HE3 MET A 46 -5.422 -6.241 -8.648 1.00 1.38 H new ATOM 687 N GLU A 47 -3.181 -4.030 -6.300 1.00 0.31 N ATOM 688 CA GLU A 47 -3.103 -3.031 -7.322 1.00 0.37 C ATOM 689 C GLU A 47 -2.310 -1.829 -6.787 1.00 0.34 C ATOM 690 O GLU A 47 -1.442 -1.307 -7.470 1.00 0.38 O ATOM 691 CB GLU A 47 -4.525 -2.678 -7.797 1.00 0.44 C ATOM 692 CG GLU A 47 -4.627 -1.681 -8.940 1.00 0.62 C ATOM 693 CD GLU A 47 -3.819 -2.057 -10.153 1.00 0.99 C ATOM 694 OE1 GLU A 47 -4.070 -3.124 -10.740 1.00 1.45 O ATOM 695 OE2 GLU A 47 -2.874 -1.312 -10.514 1.00 1.76 O ATOM 0 H GLU A 47 -4.121 -4.179 -5.933 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.567 -3.396 -8.198 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.022 -3.599 -8.101 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -5.081 -2.282 -6.947 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -5.673 -1.581 -9.229 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -4.299 -0.703 -8.586 1.00 0.62 H new ATOM 702 N THR A 48 -2.559 -1.464 -5.529 1.00 0.32 N ATOM 703 CA THR A 48 -1.804 -0.410 -4.849 1.00 0.33 C ATOM 704 C THR A 48 -0.329 -0.831 -4.783 1.00 0.32 C ATOM 705 O THR A 48 0.574 -0.064 -5.169 1.00 0.35 O ATOM 706 CB THR A 48 -2.297 -0.291 -3.397 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.721 -0.229 -3.346 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.702 0.930 -2.723 1.00 0.41 C ATOM 0 H THR A 48 -3.287 -1.889 -4.954 1.00 0.32 H new ATOM 0 HA THR A 48 -1.932 0.530 -5.385 1.00 0.33 H new ATOM 0 HB THR A 48 -1.967 -1.181 -2.862 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.055 0.263 -4.125 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.065 0.993 -1.697 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.615 0.850 -2.719 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.997 1.827 -3.268 1.00 0.41 H new ATOM 716 N ALA A 49 -0.107 -2.053 -4.289 1.00 0.32 N ATOM 717 CA ALA A 49 1.221 -2.606 -4.131 1.00 0.33 C ATOM 718 C ALA A 49 1.963 -2.587 -5.453 1.00 0.30 C ATOM 719 O ALA A 49 3.013 -1.981 -5.548 1.00 0.29 O ATOM 720 CB ALA A 49 1.154 -4.028 -3.580 1.00 0.40 C ATOM 0 H ALA A 49 -0.853 -2.681 -3.989 1.00 0.32 H new ATOM 0 HA ALA A 49 1.765 -1.988 -3.417 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.164 -4.423 -3.470 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.660 -4.019 -2.609 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.591 -4.659 -4.268 1.00 0.40 H new ATOM 726 N ALA A 50 1.362 -3.179 -6.477 1.00 0.31 N ATOM 727 CA ALA A 50 1.955 -3.290 -7.810 1.00 0.35 C ATOM 728 C ALA A 50 2.321 -1.935 -8.392 1.00 0.33 C ATOM 729 O ALA A 50 3.342 -1.805 -9.087 1.00 0.37 O ATOM 730 CB ALA A 50 1.019 -4.016 -8.742 1.00 0.44 C ATOM 0 H ALA A 50 0.437 -3.602 -6.408 1.00 0.31 H new ATOM 0 HA ALA A 50 2.878 -3.861 -7.704 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.474 -4.091 -9.730 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.824 -5.016 -8.356 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.080 -3.467 -8.816 1.00 0.44 H new ATOM 736 N ARG A 51 1.503 -0.938 -8.098 1.00 0.31 N ATOM 737 CA ARG A 51 1.748 0.432 -8.523 1.00 0.36 C ATOM 738 C ARG A 51 3.050 0.945 -7.909 1.00 0.30 C ATOM 739 O ARG A 51 3.928 1.445 -8.611 1.00 0.34 O ATOM 740 CB ARG A 51 0.544 1.329 -8.129 1.00 0.46 C ATOM 741 CG ARG A 51 -0.684 1.157 -9.017 1.00 0.91 C ATOM 742 CD ARG A 51 -0.431 1.612 -10.448 1.00 1.03 C ATOM 743 NE ARG A 51 -0.267 3.071 -10.547 1.00 1.65 N ATOM 744 CZ ARG A 51 0.555 3.711 -11.390 1.00 2.23 C ATOM 745 NH1 ARG A 51 1.398 3.038 -12.165 1.00 2.58 N ATOM 746 NH2 ARG A 51 0.521 5.033 -11.440 1.00 3.05 N ATOM 0 H ARG A 51 0.647 -1.056 -7.556 1.00 0.31 H new ATOM 0 HA ARG A 51 1.853 0.464 -9.607 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.266 1.111 -7.098 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.858 2.372 -8.161 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -0.984 0.109 -9.019 1.00 0.91 H new ATOM 0 HG3 ARG A 51 -1.515 1.726 -8.599 1.00 0.91 H new ATOM 0 HD2 ARG A 51 0.464 1.121 -10.831 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -1.262 1.298 -11.080 1.00 1.03 H new ATOM 0 HE ARG A 51 -0.828 3.646 -9.919 1.00 1.65 H new ATOM 0 HH11 ARG A 51 1.426 2.019 -12.124 1.00 2.58 H new ATOM 0 HH12 ARG A 51 2.017 3.540 -12.801 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -0.124 5.550 -10.842 1.00 3.05 H new ATOM 0 HH22 ARG A 51 1.140 5.535 -12.076 1.00 3.05 H new ATOM 760 N LEU A 52 3.182 0.776 -6.615 1.00 0.25 N ATOM 761 CA LEU A 52 4.376 1.192 -5.903 1.00 0.24 C ATOM 762 C LEU A 52 5.605 0.341 -6.253 1.00 0.22 C ATOM 763 O LEU A 52 6.668 0.886 -6.569 1.00 0.26 O ATOM 764 CB LEU A 52 4.121 1.221 -4.400 1.00 0.28 C ATOM 765 CG LEU A 52 3.082 2.250 -3.946 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.842 2.155 -2.457 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.528 3.657 -4.322 1.00 0.41 C ATOM 0 H LEU A 52 2.470 0.348 -6.024 1.00 0.25 H new ATOM 0 HA LEU A 52 4.610 2.205 -6.232 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.795 0.231 -4.082 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.062 1.426 -3.890 1.00 0.28 H new ATOM 0 HG LEU A 52 2.144 2.032 -4.456 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.100 2.896 -2.160 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.478 1.158 -2.210 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.775 2.342 -1.925 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.779 4.377 -3.992 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.480 3.878 -3.840 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.645 3.725 -5.404 1.00 0.41 H new ATOM 779 N GLU A 53 5.435 -0.983 -6.251 1.00 0.20 N ATOM 780 CA GLU A 53 6.535 -1.933 -6.484 1.00 0.25 C ATOM 781 C GLU A 53 7.246 -1.640 -7.780 1.00 0.29 C ATOM 782 O GLU A 53 8.449 -1.397 -7.804 1.00 0.32 O ATOM 783 CB GLU A 53 6.028 -3.356 -6.616 1.00 0.28 C ATOM 784 CG GLU A 53 5.268 -3.929 -5.465 1.00 0.30 C ATOM 785 CD GLU A 53 4.765 -5.295 -5.833 1.00 0.36 C ATOM 786 OE1 GLU A 53 4.208 -5.470 -6.917 1.00 0.55 O ATOM 787 OE2 GLU A 53 4.857 -6.213 -4.996 1.00 0.50 O ATOM 0 H GLU A 53 4.533 -1.431 -6.088 1.00 0.20 H new ATOM 0 HA GLU A 53 7.198 -1.826 -5.626 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.389 -3.405 -7.498 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.885 -4.002 -6.807 1.00 0.28 H new ATOM 0 HG2 GLU A 53 5.909 -3.990 -4.585 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.432 -3.279 -5.206 1.00 0.30 H new ATOM 794 N SER A 54 6.482 -1.649 -8.840 1.00 0.35 N ATOM 795 CA SER A 54 7.001 -1.522 -10.175 1.00 0.46 C ATOM 796 C SER A 54 7.660 -0.149 -10.408 1.00 0.42 C ATOM 797 O SER A 54 8.681 -0.052 -11.091 1.00 0.46 O ATOM 798 CB SER A 54 5.864 -1.774 -11.151 1.00 0.61 C ATOM 799 OG SER A 54 5.136 -2.946 -10.751 1.00 1.51 O ATOM 0 H SER A 54 5.467 -1.746 -8.799 1.00 0.35 H new ATOM 0 HA SER A 54 7.789 -2.259 -10.331 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.198 -0.912 -11.179 1.00 0.61 H new ATOM 0 HB3 SER A 54 6.259 -1.905 -12.159 1.00 0.61 H new ATOM 0 HG SER A 54 4.302 -2.679 -10.311 1.00 1.51 H new ATOM 805 N ARG A 55 7.092 0.894 -9.816 1.00 0.40 N ATOM 806 CA ARG A 55 7.625 2.237 -9.979 1.00 0.45 C ATOM 807 C ARG A 55 8.988 2.379 -9.311 1.00 0.43 C ATOM 808 O ARG A 55 9.930 2.908 -9.913 1.00 0.49 O ATOM 809 CB ARG A 55 6.694 3.289 -9.393 1.00 0.54 C ATOM 810 CG ARG A 55 7.171 4.713 -9.651 1.00 0.70 C ATOM 811 CD ARG A 55 6.376 5.723 -8.860 1.00 1.09 C ATOM 812 NE ARG A 55 4.950 5.649 -9.131 1.00 1.64 N ATOM 813 CZ ARG A 55 4.003 6.080 -8.306 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.331 6.589 -7.117 1.00 2.65 N ATOM 815 NH2 ARG A 55 2.731 5.994 -8.661 1.00 3.15 N ATOM 0 H ARG A 55 6.266 0.835 -9.221 1.00 0.40 H new ATOM 0 HA ARG A 55 7.722 2.397 -11.053 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.698 3.162 -9.817 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.605 3.130 -8.318 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.226 4.796 -9.390 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.088 4.937 -10.714 1.00 0.70 H new ATOM 0 HD2 ARG A 55 6.548 5.562 -7.796 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.735 6.725 -9.093 1.00 1.09 H new ATOM 0 HE ARG A 55 4.656 5.237 -10.017 1.00 1.64 H new ATOM 0 HH11 ARG A 55 5.311 6.648 -6.840 1.00 2.65 H new ATOM 0 HH12 ARG A 55 3.602 6.919 -6.485 1.00 2.65 H new ATOM 0 HH21 ARG A 55 2.480 5.597 -9.567 1.00 3.15 H new ATOM 0 HH22 ARG A 55 2.002 6.324 -8.029 1.00 3.15 H new ATOM 829 N TYR A 56 9.099 1.880 -8.089 1.00 0.40 N ATOM 830 CA TYR A 56 10.301 2.101 -7.301 1.00 0.48 C ATOM 831 C TYR A 56 11.305 0.962 -7.432 1.00 0.49 C ATOM 832 O TYR A 56 12.439 1.077 -6.960 1.00 0.63 O ATOM 833 CB TYR A 56 9.959 2.377 -5.828 1.00 0.57 C ATOM 834 CG TYR A 56 9.034 3.575 -5.635 1.00 0.62 C ATOM 835 CD1 TYR A 56 9.502 4.872 -5.771 1.00 0.83 C ATOM 836 CD2 TYR A 56 7.704 3.401 -5.297 1.00 0.58 C ATOM 837 CE1 TYR A 56 8.676 5.958 -5.575 1.00 0.94 C ATOM 838 CE2 TYR A 56 6.869 4.483 -5.092 1.00 0.69 C ATOM 839 CZ TYR A 56 7.336 5.756 -5.333 1.00 0.87 C ATOM 840 OH TYR A 56 6.531 6.844 -5.004 1.00 1.01 O ATOM 0 H TYR A 56 8.379 1.325 -7.626 1.00 0.40 H new ATOM 0 HA TYR A 56 10.783 2.990 -7.709 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.489 1.492 -5.400 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.882 2.547 -5.274 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.536 5.036 -6.036 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.311 2.401 -5.191 1.00 0.58 H new ATOM 0 HE1 TYR A 56 9.077 6.960 -5.611 1.00 0.94 H new ATOM 0 HE2 TYR A 56 5.857 4.331 -4.745 1.00 0.69 H new ATOM 0 HH TYR A 56 6.019 6.639 -4.194 1.00 1.01 H new ATOM 850 N GLY A 57 10.902 -0.106 -8.072 1.00 0.42 N ATOM 851 CA GLY A 57 11.815 -1.193 -8.334 1.00 0.47 C ATOM 852 C GLY A 57 11.917 -2.168 -7.189 1.00 0.48 C ATOM 853 O GLY A 57 13.013 -2.478 -6.727 1.00 0.64 O ATOM 0 H GLY A 57 9.954 -0.248 -8.420 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.490 -1.725 -9.228 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.804 -0.786 -8.546 1.00 0.47 H new ATOM 857 N VAL A 58 10.784 -2.626 -6.703 1.00 0.37 N ATOM 858 CA VAL A 58 10.752 -3.638 -5.654 1.00 0.39 C ATOM 859 C VAL A 58 9.705 -4.697 -5.964 1.00 0.37 C ATOM 860 O VAL A 58 8.978 -4.587 -6.970 1.00 0.39 O ATOM 861 CB VAL A 58 10.519 -3.072 -4.203 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.665 -2.188 -3.753 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.201 -2.314 -4.099 1.00 0.50 C ATOM 0 H VAL A 58 9.864 -2.315 -7.016 1.00 0.37 H new ATOM 0 HA VAL A 58 11.750 -4.076 -5.652 1.00 0.39 H new ATOM 0 HB VAL A 58 10.472 -3.934 -3.538 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.466 -1.818 -2.747 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.590 -2.765 -3.751 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.765 -1.345 -4.437 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.076 -1.939 -3.083 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.207 -1.477 -4.797 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.376 -2.984 -4.342 1.00 0.50 H new ATOM 873 N SER A 59 9.620 -5.699 -5.124 1.00 0.42 N ATOM 874 CA SER A 59 8.638 -6.735 -5.268 1.00 0.50 C ATOM 875 C SER A 59 8.233 -7.224 -3.868 1.00 0.48 C ATOM 876 O SER A 59 9.091 -7.564 -3.038 1.00 0.61 O ATOM 877 CB SER A 59 9.214 -7.881 -6.133 1.00 0.68 C ATOM 878 OG SER A 59 8.221 -8.841 -6.512 1.00 1.55 O ATOM 0 H SER A 59 10.235 -5.816 -4.319 1.00 0.42 H new ATOM 0 HA SER A 59 7.749 -6.358 -5.774 1.00 0.50 H new ATOM 0 HB2 SER A 59 9.668 -7.460 -7.030 1.00 0.68 H new ATOM 0 HB3 SER A 59 10.007 -8.384 -5.580 1.00 0.68 H new ATOM 0 HG SER A 59 8.635 -9.542 -7.058 1.00 1.55 H new ATOM 884 N ILE A 60 6.953 -7.203 -3.597 1.00 0.42 N ATOM 885 CA ILE A 60 6.404 -7.621 -2.328 1.00 0.43 C ATOM 886 C ILE A 60 5.907 -9.065 -2.428 1.00 0.48 C ATOM 887 O ILE A 60 5.296 -9.449 -3.442 1.00 0.51 O ATOM 888 CB ILE A 60 5.210 -6.695 -1.929 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.687 -5.244 -1.788 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.514 -7.170 -0.649 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.579 -4.265 -1.487 1.00 0.50 C ATOM 0 H ILE A 60 6.248 -6.889 -4.264 1.00 0.42 H new ATOM 0 HA ILE A 60 7.184 -7.553 -1.570 1.00 0.43 H new ATOM 0 HB ILE A 60 4.471 -6.747 -2.729 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.431 -5.192 -0.993 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.184 -4.944 -2.710 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.691 -6.496 -0.411 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.126 -8.178 -0.798 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.229 -7.175 0.174 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.994 -3.261 -1.402 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.845 -4.287 -2.293 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.096 -4.539 -0.549 1.00 0.50 H new ATOM 903 N PRO A 61 6.218 -9.903 -1.419 1.00 0.55 N ATOM 904 CA PRO A 61 5.700 -11.274 -1.332 1.00 0.61 C ATOM 905 C PRO A 61 4.172 -11.264 -1.275 1.00 0.52 C ATOM 906 O PRO A 61 3.579 -10.544 -0.453 1.00 0.43 O ATOM 907 CB PRO A 61 6.265 -11.781 -0.001 1.00 0.69 C ATOM 908 CG PRO A 61 7.466 -10.943 0.243 1.00 0.75 C ATOM 909 CD PRO A 61 7.124 -9.592 -0.292 1.00 0.63 C ATOM 0 HA PRO A 61 5.980 -11.889 -2.187 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.538 -11.675 0.804 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.525 -12.838 -0.058 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.703 -10.896 1.306 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.341 -11.355 -0.260 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.636 -8.972 0.460 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.011 -9.052 -0.624 1.00 0.63 H new ATOM 917 N ASP A 62 3.544 -12.043 -2.140 1.00 0.58 N ATOM 918 CA ASP A 62 2.077 -12.097 -2.250 1.00 0.57 C ATOM 919 C ASP A 62 1.418 -12.500 -0.935 1.00 0.48 C ATOM 920 O ASP A 62 0.356 -11.996 -0.591 1.00 0.49 O ATOM 921 CB ASP A 62 1.586 -12.987 -3.426 1.00 0.74 C ATOM 922 CG ASP A 62 1.831 -14.476 -3.253 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.952 -14.956 -3.565 1.00 1.38 O ATOM 924 OD2 ASP A 62 0.900 -15.198 -2.828 1.00 1.91 O ATOM 0 H ASP A 62 4.028 -12.661 -2.791 1.00 0.58 H new ATOM 0 HA ASP A 62 1.761 -11.079 -2.479 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.517 -12.824 -3.563 1.00 0.74 H new ATOM 0 HB3 ASP A 62 2.078 -12.657 -4.341 1.00 0.74 H new ATOM 929 N ASP A 63 2.089 -13.343 -0.165 1.00 0.51 N ATOM 930 CA ASP A 63 1.554 -13.770 1.129 1.00 0.55 C ATOM 931 C ASP A 63 1.669 -12.656 2.126 1.00 0.45 C ATOM 932 O ASP A 63 0.789 -12.459 2.948 1.00 0.48 O ATOM 933 CB ASP A 63 2.266 -15.010 1.690 1.00 0.80 C ATOM 934 CG ASP A 63 2.032 -16.265 0.898 1.00 1.25 C ATOM 935 OD1 ASP A 63 0.974 -16.928 1.090 1.00 1.88 O ATOM 936 OD2 ASP A 63 2.893 -16.634 0.076 1.00 1.94 O ATOM 0 H ASP A 63 2.995 -13.744 -0.405 1.00 0.51 H new ATOM 0 HA ASP A 63 0.510 -14.032 0.960 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.337 -14.813 1.730 1.00 0.80 H new ATOM 0 HB3 ASP A 63 1.934 -15.173 2.715 1.00 0.80 H new ATOM 941 N VAL A 64 2.727 -11.874 2.017 1.00 0.43 N ATOM 942 CA VAL A 64 2.954 -10.794 2.953 1.00 0.43 C ATOM 943 C VAL A 64 2.054 -9.599 2.620 1.00 0.34 C ATOM 944 O VAL A 64 1.694 -8.813 3.493 1.00 0.37 O ATOM 945 CB VAL A 64 4.461 -10.393 3.073 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.668 -9.300 4.117 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.293 -11.610 3.442 1.00 0.70 C ATOM 0 H VAL A 64 3.439 -11.967 1.292 1.00 0.43 H new ATOM 0 HA VAL A 64 2.678 -11.158 3.943 1.00 0.43 H new ATOM 0 HB VAL A 64 4.780 -10.005 2.105 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.727 -9.047 4.173 1.00 0.66 H new ATOM 0 HG12 VAL A 64 4.097 -8.415 3.835 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.328 -9.656 5.089 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.341 -11.323 3.524 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.951 -12.009 4.397 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.185 -12.372 2.670 1.00 0.70 H new ATOM 957 N ALA A 65 1.621 -9.513 1.368 1.00 0.32 N ATOM 958 CA ALA A 65 0.618 -8.522 0.970 1.00 0.34 C ATOM 959 C ALA A 65 -0.709 -8.822 1.677 1.00 0.37 C ATOM 960 O ALA A 65 -1.545 -7.957 1.860 1.00 0.46 O ATOM 961 CB ALA A 65 0.434 -8.482 -0.543 1.00 0.42 C ATOM 0 H ALA A 65 1.945 -10.114 0.610 1.00 0.32 H new ATOM 0 HA ALA A 65 0.970 -7.536 1.273 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.318 -7.735 -0.798 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.380 -8.222 -1.018 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.108 -9.460 -0.896 1.00 0.42 H new ATOM 967 N GLY A 66 -0.877 -10.075 2.074 1.00 0.39 N ATOM 968 CA GLY A 66 -2.044 -10.478 2.818 1.00 0.50 C ATOM 969 C GLY A 66 -1.748 -10.573 4.295 1.00 0.52 C ATOM 970 O GLY A 66 -2.571 -11.044 5.076 1.00 0.73 O ATOM 0 H GLY A 66 -0.213 -10.827 1.889 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.849 -9.762 2.652 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.395 -11.443 2.453 1.00 0.50 H new ATOM 974 N ARG A 67 -0.552 -10.161 4.668 1.00 0.42 N ATOM 975 CA ARG A 67 -0.119 -10.133 6.058 1.00 0.50 C ATOM 976 C ARG A 67 -0.111 -8.709 6.587 1.00 0.49 C ATOM 977 O ARG A 67 -0.020 -8.481 7.793 1.00 0.60 O ATOM 978 CB ARG A 67 1.250 -10.795 6.219 1.00 0.56 C ATOM 979 CG ARG A 67 1.206 -12.303 6.060 1.00 1.09 C ATOM 980 CD ARG A 67 2.593 -12.917 6.008 1.00 1.24 C ATOM 981 NE ARG A 67 3.402 -12.641 7.198 1.00 2.11 N ATOM 982 CZ ARG A 67 4.390 -13.424 7.639 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.660 -14.572 7.018 1.00 2.21 N ATOM 984 NH2 ARG A 67 5.099 -13.065 8.705 1.00 3.62 N ATOM 0 H ARG A 67 0.156 -9.832 4.011 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.832 -10.707 6.650 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.937 -10.378 5.482 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.651 -10.551 7.203 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.650 -12.738 6.890 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.665 -12.554 5.148 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.499 -13.996 5.885 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.115 -12.540 5.129 1.00 1.24 H new ATOM 0 HE ARG A 67 3.197 -11.793 7.726 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.112 -14.853 6.205 1.00 2.21 H new ATOM 0 HH12 ARG A 67 5.415 -15.169 7.356 1.00 2.21 H new ATOM 0 HH21 ARG A 67 4.889 -12.191 9.187 1.00 3.62 H new ATOM 0 HH22 ARG A 67 5.853 -13.664 9.041 1.00 3.62 H new ATOM 998 N VAL A 68 -0.157 -7.763 5.680 1.00 0.44 N ATOM 999 CA VAL A 68 -0.268 -6.364 6.027 1.00 0.44 C ATOM 1000 C VAL A 68 -1.739 -6.016 6.247 1.00 0.52 C ATOM 1001 O VAL A 68 -2.571 -6.137 5.343 1.00 0.94 O ATOM 1002 CB VAL A 68 0.393 -5.440 4.955 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.899 -5.607 4.986 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.121 -5.737 3.557 1.00 0.57 C ATOM 0 H VAL A 68 -0.118 -7.941 4.676 1.00 0.44 H new ATOM 0 HA VAL A 68 0.280 -6.188 6.953 1.00 0.44 H new ATOM 0 HB VAL A 68 0.127 -4.412 5.200 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.352 -4.959 4.236 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.275 -5.337 5.973 1.00 0.50 H new ATOM 0 HG13 VAL A 68 2.154 -6.645 4.772 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.364 -5.072 2.842 1.00 0.57 H new ATOM 0 HG22 VAL A 68 0.103 -6.772 3.299 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.199 -5.580 3.525 1.00 0.57 H new ATOM 1014 N ASP A 69 -2.083 -5.712 7.465 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.474 -5.415 7.801 1.00 0.57 C ATOM 1016 C ASP A 69 -3.772 -3.941 7.813 1.00 0.40 C ATOM 1017 O ASP A 69 -4.925 -3.535 7.699 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.903 -6.053 9.114 1.00 0.94 C ATOM 1019 CG ASP A 69 -4.148 -7.525 9.011 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -3.178 -8.302 9.015 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -5.315 -7.943 8.924 1.00 2.46 O ATOM 0 H ASP A 69 -1.434 -5.659 8.250 1.00 0.40 H new ATOM 0 HA ASP A 69 -4.063 -5.862 7.000 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -3.134 -5.873 9.865 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -4.812 -5.565 9.466 1.00 0.94 H new ATOM 1026 N THR A 70 -2.757 -3.138 7.950 1.00 0.35 N ATOM 1027 CA THR A 70 -2.929 -1.702 7.931 1.00 0.30 C ATOM 1028 C THR A 70 -1.996 -1.092 6.911 1.00 0.26 C ATOM 1029 O THR A 70 -0.892 -1.614 6.690 1.00 0.26 O ATOM 1030 CB THR A 70 -2.662 -1.058 9.316 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.411 -1.528 9.856 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.788 -1.339 10.292 1.00 0.52 C ATOM 0 H THR A 70 -1.794 -3.449 8.077 1.00 0.35 H new ATOM 0 HA THR A 70 -3.968 -1.503 7.667 1.00 0.30 H new ATOM 0 HB THR A 70 -2.607 0.021 9.170 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.255 -1.112 10.729 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.564 -0.871 11.251 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.720 -0.933 9.899 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.891 -2.415 10.429 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.429 -0.020 6.224 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.588 0.706 5.280 1.00 0.28 C ATOM 1042 C PRO A 71 -0.308 1.179 5.944 1.00 0.27 C ATOM 1043 O PRO A 71 0.719 1.245 5.309 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.451 1.886 4.868 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.839 1.397 5.053 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.791 0.534 6.268 1.00 0.33 C ATOM 0 HA PRO A 71 -1.275 0.093 4.435 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.251 2.762 5.485 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.264 2.175 3.834 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.534 2.226 5.186 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.177 0.834 4.183 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.964 1.108 7.178 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.547 -0.250 6.237 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.403 1.513 7.235 1.00 0.29 N ATOM 1055 CA ARG A 72 0.758 1.861 8.062 1.00 0.34 C ATOM 1056 C ARG A 72 1.829 0.764 7.945 1.00 0.32 C ATOM 1057 O ARG A 72 2.993 1.021 7.629 1.00 0.35 O ATOM 1058 CB ARG A 72 0.331 1.990 9.533 1.00 0.42 C ATOM 1059 CG ARG A 72 1.471 2.349 10.457 1.00 0.72 C ATOM 1060 CD ARG A 72 1.098 2.222 11.923 1.00 0.75 C ATOM 1061 NE ARG A 72 0.066 3.169 12.361 1.00 0.84 N ATOM 1062 CZ ARG A 72 -0.168 3.477 13.655 1.00 1.44 C ATOM 1063 NH1 ARG A 72 0.556 2.926 14.627 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -1.118 4.325 13.960 1.00 1.57 N ATOM 0 H ARG A 72 -1.290 1.550 7.738 1.00 0.29 H new ATOM 0 HA ARG A 72 1.166 2.810 7.715 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.446 2.750 9.613 1.00 0.42 H new ATOM 0 HB3 ARG A 72 -0.110 1.048 9.860 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.322 1.702 10.245 1.00 0.72 H new ATOM 0 HG3 ARG A 72 1.789 3.372 10.254 1.00 0.72 H new ATOM 0 HD2 ARG A 72 0.749 1.207 12.112 1.00 0.75 H new ATOM 0 HD3 ARG A 72 1.992 2.369 12.529 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.507 3.620 11.648 1.00 0.84 H new ATOM 0 HH11 ARG A 72 1.297 2.263 14.398 1.00 2.34 H new ATOM 0 HH12 ARG A 72 0.370 3.167 15.601 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -1.678 4.750 13.221 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -1.298 4.560 14.936 1.00 1.57 H new ATOM 1078 N GLU A 73 1.388 -0.452 8.170 1.00 0.30 N ATOM 1079 CA GLU A 73 2.219 -1.631 8.123 1.00 0.31 C ATOM 1080 C GLU A 73 2.719 -1.904 6.693 1.00 0.30 C ATOM 1081 O GLU A 73 3.879 -2.284 6.485 1.00 0.33 O ATOM 1082 CB GLU A 73 1.412 -2.793 8.697 1.00 0.36 C ATOM 1083 CG GLU A 73 2.081 -4.137 8.694 1.00 0.42 C ATOM 1084 CD GLU A 73 1.274 -5.140 9.462 1.00 1.08 C ATOM 1085 OE1 GLU A 73 0.103 -5.395 9.096 1.00 1.74 O ATOM 1086 OE2 GLU A 73 1.786 -5.691 10.454 1.00 1.68 O ATOM 0 H GLU A 73 0.414 -0.653 8.397 1.00 0.30 H new ATOM 0 HA GLU A 73 3.118 -1.491 8.723 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.143 -2.548 9.724 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.482 -2.873 8.135 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.212 -4.480 7.668 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.076 -4.053 9.132 1.00 0.42 H new ATOM 1093 N LEU A 74 1.854 -1.675 5.719 1.00 0.28 N ATOM 1094 CA LEU A 74 2.186 -1.862 4.305 1.00 0.31 C ATOM 1095 C LEU A 74 3.235 -0.825 3.874 1.00 0.31 C ATOM 1096 O LEU A 74 4.164 -1.141 3.124 1.00 0.34 O ATOM 1097 CB LEU A 74 0.871 -1.801 3.458 1.00 0.32 C ATOM 1098 CG LEU A 74 0.923 -2.063 1.921 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.437 -0.859 1.143 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.766 -3.292 1.605 1.00 0.50 C ATOM 0 H LEU A 74 0.899 -1.354 5.880 1.00 0.28 H new ATOM 0 HA LEU A 74 2.633 -2.842 4.137 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.175 -2.522 3.887 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.436 -0.812 3.604 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.103 -2.245 1.602 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.454 -1.094 0.079 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.780 -0.006 1.316 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.445 -0.614 1.476 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.786 -3.452 0.527 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.782 -3.139 1.968 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.334 -4.165 2.094 1.00 0.50 H new ATOM 1112 N LEU A 75 3.091 0.389 4.381 1.00 0.32 N ATOM 1113 CA LEU A 75 4.026 1.476 4.141 1.00 0.34 C ATOM 1114 C LEU A 75 5.421 1.060 4.572 1.00 0.33 C ATOM 1115 O LEU A 75 6.376 1.168 3.806 1.00 0.31 O ATOM 1116 CB LEU A 75 3.588 2.729 4.918 1.00 0.38 C ATOM 1117 CG LEU A 75 4.438 3.986 4.733 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.400 4.447 3.291 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.958 5.093 5.657 1.00 0.52 C ATOM 0 H LEU A 75 2.308 0.651 4.981 1.00 0.32 H new ATOM 0 HA LEU A 75 4.036 1.707 3.076 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.564 2.966 4.631 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.572 2.482 5.980 1.00 0.38 H new ATOM 0 HG LEU A 75 5.469 3.744 4.990 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.011 5.343 3.179 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.790 3.659 2.647 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.372 4.671 3.008 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.574 5.980 5.512 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.919 5.332 5.430 1.00 0.52 H new ATOM 0 HD23 LEU A 75 4.036 4.762 6.693 1.00 0.52 H new ATOM 1131 N ASP A 76 5.519 0.537 5.788 1.00 0.35 N ATOM 1132 CA ASP A 76 6.802 0.090 6.336 1.00 0.37 C ATOM 1133 C ASP A 76 7.372 -1.073 5.541 1.00 0.34 C ATOM 1134 O ASP A 76 8.581 -1.169 5.348 1.00 0.35 O ATOM 1135 CB ASP A 76 6.688 -0.304 7.807 1.00 0.45 C ATOM 1136 CG ASP A 76 8.015 -0.790 8.359 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.872 0.055 8.702 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.240 -2.020 8.434 1.00 0.59 O ATOM 0 H ASP A 76 4.726 0.410 6.417 1.00 0.35 H new ATOM 0 HA ASP A 76 7.482 0.938 6.258 1.00 0.37 H new ATOM 0 HB2 ASP A 76 6.343 0.551 8.388 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.938 -1.088 7.917 1.00 0.45 H new ATOM 1143 N LEU A 77 6.496 -1.932 5.052 1.00 0.34 N ATOM 1144 CA LEU A 77 6.906 -3.087 4.265 1.00 0.35 C ATOM 1145 C LEU A 77 7.598 -2.635 2.982 1.00 0.34 C ATOM 1146 O LEU A 77 8.611 -3.216 2.561 1.00 0.43 O ATOM 1147 CB LEU A 77 5.696 -3.963 3.928 1.00 0.38 C ATOM 1148 CG LEU A 77 5.985 -5.226 3.114 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.866 -6.191 3.894 1.00 1.15 C ATOM 1150 CD2 LEU A 77 4.692 -5.890 2.695 1.00 1.54 C ATOM 0 H LEU A 77 5.488 -1.853 5.186 1.00 0.34 H new ATOM 0 HA LEU A 77 7.608 -3.675 4.856 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.216 -4.259 4.861 1.00 0.38 H new ATOM 0 HB3 LEU A 77 4.977 -3.357 3.377 1.00 0.38 H new ATOM 0 HG LEU A 77 6.529 -4.936 2.215 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.055 -7.079 3.291 1.00 1.15 H new ATOM 0 HD12 LEU A 77 7.813 -5.707 4.134 1.00 1.15 H new ATOM 0 HD13 LEU A 77 6.362 -6.479 4.817 1.00 1.15 H new ATOM 0 HD21 LEU A 77 4.914 -6.787 2.117 1.00 1.54 H new ATOM 0 HD22 LEU A 77 4.119 -6.162 3.581 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.110 -5.200 2.084 1.00 1.54 H new ATOM 1162 N ILE A 78 7.081 -1.585 2.383 1.00 0.27 N ATOM 1163 CA ILE A 78 7.679 -1.058 1.187 1.00 0.26 C ATOM 1164 C ILE A 78 8.900 -0.224 1.543 1.00 0.28 C ATOM 1165 O ILE A 78 9.913 -0.305 0.883 1.00 0.33 O ATOM 1166 CB ILE A 78 6.675 -0.260 0.308 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.513 -1.183 -0.076 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.366 0.285 -0.951 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.499 -0.578 -1.024 1.00 0.29 C ATOM 0 H ILE A 78 6.253 -1.085 2.706 1.00 0.27 H new ATOM 0 HA ILE A 78 7.994 -1.904 0.577 1.00 0.26 H new ATOM 0 HB ILE A 78 6.297 0.592 0.873 1.00 0.21 H new ATOM 0 HG12 ILE A 78 5.921 -2.085 -0.532 1.00 0.25 H new ATOM 0 HG13 ILE A 78 4.998 -1.491 0.834 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.644 0.840 -1.551 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.182 0.947 -0.661 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.763 -0.545 -1.536 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.717 -1.308 -1.235 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.056 0.306 -0.567 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.993 -0.296 -1.954 1.00 0.29 H new ATOM 1181 N ASN A 79 8.817 0.524 2.628 1.00 0.28 N ATOM 1182 CA ASN A 79 9.947 1.349 3.086 1.00 0.32 C ATOM 1183 C ASN A 79 11.159 0.510 3.460 1.00 0.34 C ATOM 1184 O ASN A 79 12.311 0.927 3.252 1.00 0.37 O ATOM 1185 CB ASN A 79 9.556 2.311 4.223 1.00 0.37 C ATOM 1186 CG ASN A 79 8.679 3.437 3.727 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.748 3.801 2.569 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.887 4.028 4.590 1.00 0.69 N ATOM 0 H ASN A 79 7.985 0.585 3.215 1.00 0.28 H new ATOM 0 HA ASN A 79 10.231 1.966 2.234 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.032 1.758 5.003 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.457 2.724 4.676 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.308 4.815 4.296 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.850 3.701 5.555 1.00 0.69 H new ATOM 1195 N GLY A 80 10.912 -0.667 3.998 1.00 0.37 N ATOM 1196 CA GLY A 80 11.986 -1.587 4.289 1.00 0.43 C ATOM 1197 C GLY A 80 12.634 -2.070 3.006 1.00 0.42 C ATOM 1198 O GLY A 80 13.847 -2.261 2.936 1.00 0.50 O ATOM 0 H GLY A 80 9.981 -1.005 4.241 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.730 -1.099 4.918 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.602 -2.438 4.852 1.00 0.43 H new ATOM 1202 N ALA A 81 11.823 -2.236 1.983 1.00 0.38 N ATOM 1203 CA ALA A 81 12.294 -2.658 0.683 1.00 0.40 C ATOM 1204 C ALA A 81 13.030 -1.515 -0.012 1.00 0.37 C ATOM 1205 O ALA A 81 14.062 -1.724 -0.618 1.00 0.44 O ATOM 1206 CB ALA A 81 11.131 -3.158 -0.168 1.00 0.42 C ATOM 0 H ALA A 81 10.816 -2.081 2.031 1.00 0.38 H new ATOM 0 HA ALA A 81 12.995 -3.482 0.815 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.503 -3.472 -1.143 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.654 -4.004 0.328 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.404 -2.356 -0.297 1.00 0.42 H new ATOM 1212 N LEU A 82 12.502 -0.301 0.136 1.00 0.35 N ATOM 1213 CA LEU A 82 13.059 0.908 -0.482 1.00 0.39 C ATOM 1214 C LEU A 82 14.464 1.225 -0.013 1.00 0.53 C ATOM 1215 O LEU A 82 15.265 1.755 -0.774 1.00 0.67 O ATOM 1216 CB LEU A 82 12.152 2.115 -0.271 1.00 0.39 C ATOM 1217 CG LEU A 82 10.789 2.056 -0.943 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.015 3.319 -0.660 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.936 1.847 -2.440 1.00 0.49 C ATOM 0 H LEU A 82 11.667 -0.124 0.694 1.00 0.35 H new ATOM 0 HA LEU A 82 13.117 0.691 -1.549 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.000 2.247 0.800 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.673 3.002 -0.631 1.00 0.39 H new ATOM 0 HG LEU A 82 10.239 1.209 -0.534 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.041 3.265 -1.146 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.878 3.429 0.416 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.566 4.177 -1.045 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.949 1.808 -2.901 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.504 2.673 -2.869 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.461 0.910 -2.627 1.00 0.49 H new ATOM 1231 N ALA A 83 14.771 0.893 1.230 1.00 0.63 N ATOM 1232 CA ALA A 83 16.119 1.107 1.772 1.00 0.81 C ATOM 1233 C ALA A 83 17.139 0.250 1.011 1.00 0.84 C ATOM 1234 O ALA A 83 18.333 0.571 0.930 1.00 1.00 O ATOM 1235 CB ALA A 83 16.146 0.774 3.258 1.00 0.99 C ATOM 0 H ALA A 83 14.113 0.475 1.888 1.00 0.63 H new ATOM 0 HA ALA A 83 16.387 2.156 1.646 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.150 0.936 3.649 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.442 1.416 3.788 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.865 -0.269 3.402 1.00 0.99 H new ATOM 1241 N GLU A 84 16.640 -0.809 0.420 1.00 0.79 N ATOM 1242 CA GLU A 84 17.432 -1.749 -0.320 1.00 0.94 C ATOM 1243 C GLU A 84 17.049 -1.695 -1.808 1.00 0.95 C ATOM 1244 O GLU A 84 17.371 -2.604 -2.579 1.00 1.34 O ATOM 1245 CB GLU A 84 17.178 -3.142 0.240 1.00 1.11 C ATOM 1246 CG GLU A 84 17.528 -3.287 1.714 1.00 1.64 C ATOM 1247 CD GLU A 84 17.235 -4.662 2.230 1.00 1.84 C ATOM 1248 OE1 GLU A 84 17.910 -5.614 1.806 1.00 2.22 O ATOM 1249 OE2 GLU A 84 16.309 -4.828 3.040 1.00 2.18 O ATOM 0 H GLU A 84 15.647 -1.042 0.444 1.00 0.79 H new ATOM 0 HA GLU A 84 18.490 -1.504 -0.228 1.00 0.94 H new ATOM 0 HB2 GLU A 84 16.127 -3.393 0.100 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.758 -3.865 -0.334 1.00 1.11 H new ATOM 0 HG2 GLU A 84 18.585 -3.064 1.859 1.00 1.64 H new ATOM 0 HG3 GLU A 84 16.965 -2.555 2.293 1.00 1.64 H new