USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 -170:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 69:sc= 0.64 USER MOD Single : A 6 THR OG1 : rot -96:sc= 0.416 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -26:sc= 0.00586 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 46 MET CE :methyl -158:sc= -0.171 (180deg=-0.725) USER MOD Single : A 54 SER OG : rot 74:sc= 1.23 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.661 USER MOD Single : A 59 SER OG : rot 44:sc= 0.108 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.403 8.345 0.130 1.00 0.64 N ATOM 45 CA LEU A 4 -10.707 7.127 -0.245 1.00 0.51 C ATOM 46 C LEU A 4 -9.199 7.276 -0.066 1.00 0.45 C ATOM 47 O LEU A 4 -8.724 8.313 0.396 1.00 0.52 O ATOM 48 CB LEU A 4 -11.061 6.740 -1.689 1.00 0.57 C ATOM 49 CG LEU A 4 -11.066 7.882 -2.719 1.00 0.58 C ATOM 50 CD1 LEU A 4 -9.657 8.347 -3.054 1.00 0.88 C ATOM 51 CD2 LEU A 4 -11.797 7.448 -3.978 1.00 0.84 C ATOM 0 HA LEU A 4 -11.034 6.325 0.417 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.353 5.981 -2.023 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -12.048 6.277 -1.687 1.00 0.57 H new ATOM 0 HG LEU A 4 -11.591 8.728 -2.275 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -9.704 9.154 -3.785 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -9.167 8.705 -2.149 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -9.088 7.515 -3.469 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -11.794 8.265 -4.700 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -11.296 6.581 -4.409 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.826 7.187 -3.730 1.00 0.84 H new ATOM 63 N LEU A 5 -8.463 6.239 -0.439 1.00 0.39 N ATOM 64 CA LEU A 5 -7.015 6.220 -0.273 1.00 0.35 C ATOM 65 C LEU A 5 -6.377 7.017 -1.404 1.00 0.35 C ATOM 66 O LEU A 5 -6.687 6.793 -2.575 1.00 0.41 O ATOM 67 CB LEU A 5 -6.510 4.766 -0.295 1.00 0.38 C ATOM 68 CG LEU A 5 -5.300 4.449 0.595 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.988 2.964 0.536 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.087 5.267 0.181 1.00 0.98 C ATOM 0 H LEU A 5 -8.847 5.394 -0.862 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.744 6.668 0.683 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.332 4.115 0.002 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.254 4.509 -1.323 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.548 4.718 1.622 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.128 2.747 1.170 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.850 2.397 0.887 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.761 2.680 -0.492 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.245 5.022 0.828 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.829 5.037 -0.853 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -4.316 6.329 0.270 1.00 0.98 H new ATOM 82 N THR A 6 -5.509 7.956 -1.055 1.00 0.39 N ATOM 83 CA THR A 6 -4.860 8.792 -2.051 1.00 0.49 C ATOM 84 C THR A 6 -3.434 8.317 -2.303 1.00 0.42 C ATOM 85 O THR A 6 -2.819 7.686 -1.441 1.00 0.41 O ATOM 86 CB THR A 6 -4.827 10.274 -1.621 1.00 0.69 C ATOM 87 OG1 THR A 6 -4.004 10.429 -0.461 1.00 1.21 O ATOM 88 CG2 THR A 6 -6.228 10.788 -1.324 1.00 1.03 C ATOM 0 H THR A 6 -5.239 8.157 -0.092 1.00 0.39 H new ATOM 0 HA THR A 6 -5.445 8.708 -2.967 1.00 0.49 H new ATOM 0 HB THR A 6 -4.412 10.856 -2.444 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.565 10.414 0.342 1.00 1.21 H new ATOM 0 HG21 THR A 6 -6.176 11.834 -1.023 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.846 10.698 -2.218 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.668 10.201 -0.518 1.00 1.03 H new ATOM 96 N THR A 7 -2.925 8.612 -3.491 1.00 0.47 N ATOM 97 CA THR A 7 -1.551 8.284 -3.843 1.00 0.45 C ATOM 98 C THR A 7 -0.566 8.931 -2.865 1.00 0.34 C ATOM 99 O THR A 7 0.444 8.330 -2.493 1.00 0.33 O ATOM 100 CB THR A 7 -1.233 8.739 -5.282 1.00 0.59 C ATOM 101 OG1 THR A 7 -2.208 8.193 -6.184 1.00 1.30 O ATOM 102 CG2 THR A 7 0.160 8.294 -5.703 1.00 1.06 C ATOM 0 H THR A 7 -3.447 9.081 -4.231 1.00 0.47 H new ATOM 0 HA THR A 7 -1.443 7.201 -3.783 1.00 0.45 H new ATOM 0 HB THR A 7 -1.267 9.828 -5.314 1.00 0.59 H new ATOM 0 HG1 THR A 7 -2.007 8.484 -7.098 1.00 1.30 H new ATOM 0 HG21 THR A 7 0.357 8.629 -6.722 1.00 1.06 H new ATOM 0 HG22 THR A 7 0.899 8.727 -5.030 1.00 1.06 H new ATOM 0 HG23 THR A 7 0.223 7.207 -5.660 1.00 1.06 H new ATOM 110 N ASP A 8 -0.874 10.154 -2.441 1.00 0.41 N ATOM 111 CA ASP A 8 -0.008 10.881 -1.517 1.00 0.46 C ATOM 112 C ASP A 8 -0.050 10.248 -0.126 1.00 0.40 C ATOM 113 O ASP A 8 0.983 10.120 0.534 1.00 0.48 O ATOM 114 CB ASP A 8 -0.413 12.351 -1.445 1.00 0.64 C ATOM 115 CG ASP A 8 0.623 13.194 -0.731 1.00 1.36 C ATOM 116 OD1 ASP A 8 1.749 13.333 -1.262 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.318 13.736 0.347 1.00 2.19 O ATOM 0 H ASP A 8 -1.714 10.661 -2.721 1.00 0.41 H new ATOM 0 HA ASP A 8 1.014 10.822 -1.891 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.560 12.736 -2.454 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -1.369 12.438 -0.929 1.00 0.64 H new ATOM 122 N ASP A 9 -1.244 9.830 0.307 1.00 0.40 N ATOM 123 CA ASP A 9 -1.396 9.096 1.567 1.00 0.44 C ATOM 124 C ASP A 9 -0.617 7.799 1.519 1.00 0.38 C ATOM 125 O ASP A 9 0.035 7.412 2.490 1.00 0.44 O ATOM 126 CB ASP A 9 -2.862 8.770 1.859 1.00 0.58 C ATOM 127 CG ASP A 9 -3.521 9.777 2.771 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.147 9.837 3.963 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.428 10.503 2.306 1.00 1.12 O ATOM 0 H ASP A 9 -2.118 9.987 -0.196 1.00 0.40 H new ATOM 0 HA ASP A 9 -1.012 9.739 2.359 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.412 8.725 0.919 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.925 7.781 2.313 1.00 0.58 H new ATOM 134 N LEU A 10 -0.694 7.132 0.378 1.00 0.35 N ATOM 135 CA LEU A 10 0.045 5.907 0.158 1.00 0.37 C ATOM 136 C LEU A 10 1.541 6.170 0.323 1.00 0.37 C ATOM 137 O LEU A 10 2.227 5.470 1.065 1.00 0.42 O ATOM 138 CB LEU A 10 -0.254 5.366 -1.247 1.00 0.42 C ATOM 139 CG LEU A 10 -0.742 3.913 -1.312 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.881 3.466 -2.757 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.195 2.984 -0.564 1.00 0.79 C ATOM 0 H LEU A 10 -1.267 7.425 -0.414 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.262 5.161 0.892 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.008 6.004 -1.709 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.650 5.453 -1.850 1.00 0.42 H new ATOM 0 HG LEU A 10 -1.719 3.866 -0.831 1.00 0.58 H new ATOM 0 HD11 LEU A 10 -1.228 2.433 -2.787 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -1.601 4.105 -3.268 1.00 1.08 H new ATOM 0 HD13 LEU A 10 0.086 3.538 -3.255 1.00 1.08 H new ATOM 0 HD21 LEU A 10 -0.178 1.962 -0.628 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.189 3.036 -1.007 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.248 3.286 0.482 1.00 0.79 H new ATOM 153 N ARG A 11 2.030 7.200 -0.363 1.00 0.37 N ATOM 154 CA ARG A 11 3.432 7.602 -0.267 1.00 0.45 C ATOM 155 C ARG A 11 3.832 7.875 1.184 1.00 0.48 C ATOM 156 O ARG A 11 4.925 7.504 1.613 1.00 0.60 O ATOM 157 CB ARG A 11 3.681 8.836 -1.141 1.00 0.52 C ATOM 158 CG ARG A 11 5.095 9.392 -1.038 1.00 0.67 C ATOM 159 CD ARG A 11 5.319 10.566 -1.982 1.00 0.85 C ATOM 160 NE ARG A 11 5.418 10.143 -3.381 1.00 1.04 N ATOM 161 CZ ARG A 11 6.027 10.861 -4.331 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.467 12.084 -4.067 1.00 1.64 N ATOM 163 NH2 ARG A 11 6.173 10.369 -5.556 1.00 2.17 N ATOM 0 H ARG A 11 1.473 7.775 -0.995 1.00 0.37 H new ATOM 0 HA ARG A 11 4.052 6.782 -0.629 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.477 8.580 -2.181 1.00 0.52 H new ATOM 0 HB3 ARG A 11 2.973 9.616 -0.861 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.285 9.710 -0.013 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.812 8.603 -1.265 1.00 0.67 H new ATOM 0 HD2 ARG A 11 4.499 11.276 -1.877 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.232 11.089 -1.697 1.00 0.85 H new ATOM 0 HE ARG A 11 4.999 9.251 -3.645 1.00 1.04 H new ATOM 0 HH11 ARG A 11 6.342 12.481 -3.136 1.00 1.64 H new ATOM 0 HH12 ARG A 11 6.931 12.627 -4.795 1.00 1.64 H new ATOM 0 HH21 ARG A 11 5.820 9.438 -5.777 1.00 2.17 H new ATOM 0 HH22 ARG A 11 6.638 10.922 -6.276 1.00 2.17 H new ATOM 177 N ARG A 12 2.946 8.519 1.933 1.00 0.43 N ATOM 178 CA ARG A 12 3.185 8.761 3.350 1.00 0.46 C ATOM 179 C ARG A 12 3.294 7.445 4.118 1.00 0.44 C ATOM 180 O ARG A 12 4.254 7.230 4.859 1.00 0.46 O ATOM 181 CB ARG A 12 2.070 9.611 3.960 1.00 0.53 C ATOM 182 CG ARG A 12 2.121 11.085 3.589 1.00 0.91 C ATOM 183 CD ARG A 12 3.421 11.743 4.028 1.00 1.49 C ATOM 184 NE ARG A 12 4.464 11.622 3.009 1.00 2.06 N ATOM 185 CZ ARG A 12 5.616 12.296 3.030 1.00 2.93 C ATOM 186 NH1 ARG A 12 5.927 13.075 4.057 1.00 3.32 N ATOM 187 NH2 ARG A 12 6.466 12.184 2.019 1.00 3.66 N ATOM 0 H ARG A 12 2.059 8.882 1.585 1.00 0.43 H new ATOM 0 HA ARG A 12 4.128 9.302 3.431 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.109 9.204 3.647 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.116 9.521 5.045 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.009 11.191 2.510 1.00 0.91 H new ATOM 0 HG3 ARG A 12 1.280 11.603 4.049 1.00 0.91 H new ATOM 0 HD2 ARG A 12 3.241 12.797 4.240 1.00 1.49 H new ATOM 0 HD3 ARG A 12 3.765 11.285 4.956 1.00 1.49 H new ATOM 0 HE ARG A 12 4.300 10.981 2.232 1.00 2.06 H new ATOM 0 HH11 ARG A 12 5.283 13.164 4.843 1.00 3.32 H new ATOM 0 HH12 ARG A 12 6.810 13.585 4.061 1.00 3.32 H new ATOM 0 HH21 ARG A 12 6.239 11.583 1.226 1.00 3.66 H new ATOM 0 HH22 ARG A 12 7.347 12.698 2.034 1.00 3.66 H new ATOM 201 N ALA A 13 2.326 6.556 3.902 1.00 0.43 N ATOM 202 CA ALA A 13 2.219 5.319 4.673 1.00 0.44 C ATOM 203 C ALA A 13 3.445 4.425 4.492 1.00 0.43 C ATOM 204 O ALA A 13 3.909 3.809 5.449 1.00 0.47 O ATOM 205 CB ALA A 13 0.953 4.565 4.289 1.00 0.49 C ATOM 0 H ALA A 13 1.600 6.671 3.195 1.00 0.43 H new ATOM 0 HA ALA A 13 2.167 5.593 5.727 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.886 3.646 4.871 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.082 5.188 4.494 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.983 4.321 3.227 1.00 0.49 H new ATOM 211 N LEU A 14 3.968 4.363 3.272 1.00 0.41 N ATOM 212 CA LEU A 14 5.177 3.589 2.998 1.00 0.45 C ATOM 213 C LEU A 14 6.348 4.111 3.826 1.00 0.47 C ATOM 214 O LEU A 14 7.106 3.339 4.411 1.00 0.53 O ATOM 215 CB LEU A 14 5.526 3.623 1.502 1.00 0.49 C ATOM 216 CG LEU A 14 4.893 2.518 0.647 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.240 1.147 1.200 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.389 2.689 0.557 1.00 0.70 C ATOM 0 H LEU A 14 3.576 4.837 2.458 1.00 0.41 H new ATOM 0 HA LEU A 14 4.983 2.554 3.280 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.222 4.589 1.098 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.609 3.561 1.399 1.00 0.49 H new ATOM 0 HG LEU A 14 5.302 2.599 -0.360 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.781 0.377 0.579 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.322 1.017 1.198 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.866 1.061 2.220 1.00 0.79 H new ATOM 0 HD21 LEU A 14 2.968 1.891 -0.055 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.957 2.645 1.557 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.159 3.654 0.104 1.00 0.70 H new ATOM 230 N VAL A 15 6.466 5.430 3.894 1.00 0.50 N ATOM 231 CA VAL A 15 7.527 6.072 4.662 1.00 0.57 C ATOM 232 C VAL A 15 7.328 5.841 6.157 1.00 0.60 C ATOM 233 O VAL A 15 8.239 5.390 6.850 1.00 0.71 O ATOM 234 CB VAL A 15 7.585 7.592 4.378 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.590 8.288 5.288 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.938 7.843 2.924 1.00 0.60 C ATOM 0 H VAL A 15 5.837 6.081 3.424 1.00 0.50 H new ATOM 0 HA VAL A 15 8.470 5.623 4.352 1.00 0.57 H new ATOM 0 HB VAL A 15 6.598 8.008 4.583 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.607 9.354 5.063 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.301 8.141 6.329 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.582 7.867 5.124 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.975 8.916 2.739 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.911 7.403 2.705 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.182 7.390 2.283 1.00 0.60 H new ATOM 246 N GLU A 16 6.125 6.145 6.637 1.00 0.59 N ATOM 247 CA GLU A 16 5.790 6.013 8.055 1.00 0.70 C ATOM 248 C GLU A 16 5.969 4.575 8.550 1.00 0.75 C ATOM 249 O GLU A 16 6.277 4.345 9.722 1.00 0.92 O ATOM 250 CB GLU A 16 4.345 6.468 8.294 1.00 0.86 C ATOM 251 CG GLU A 16 4.099 7.928 7.941 1.00 0.96 C ATOM 252 CD GLU A 16 2.638 8.324 8.058 1.00 1.17 C ATOM 253 OE1 GLU A 16 2.205 8.703 9.168 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.910 8.253 7.047 1.00 1.28 O ATOM 0 H GLU A 16 5.358 6.488 6.059 1.00 0.59 H new ATOM 0 HA GLU A 16 6.475 6.647 8.618 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.674 5.843 7.705 1.00 0.86 H new ATOM 0 HB3 GLU A 16 4.092 6.309 9.342 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.696 8.561 8.597 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.440 8.113 6.923 1.00 0.96 H new ATOM 261 N SER A 17 5.774 3.612 7.659 1.00 0.68 N ATOM 262 CA SER A 17 5.855 2.205 8.026 1.00 0.78 C ATOM 263 C SER A 17 7.296 1.689 7.989 1.00 0.80 C ATOM 264 O SER A 17 7.662 0.812 8.774 1.00 1.05 O ATOM 265 CB SER A 17 4.974 1.362 7.098 1.00 0.81 C ATOM 266 OG SER A 17 4.808 0.044 7.595 1.00 1.25 O ATOM 0 H SER A 17 5.558 3.780 6.676 1.00 0.68 H new ATOM 0 HA SER A 17 5.494 2.113 9.050 1.00 0.78 H new ATOM 0 HB2 SER A 17 3.999 1.837 6.990 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.422 1.324 6.105 1.00 0.81 H new ATOM 0 HG SER A 17 4.378 -0.512 6.912 1.00 1.25 H new ATOM 272 N ALA A 18 8.108 2.219 7.080 1.00 0.74 N ATOM 273 CA ALA A 18 9.458 1.699 6.892 1.00 0.87 C ATOM 274 C ALA A 18 10.523 2.630 7.462 1.00 1.11 C ATOM 275 O ALA A 18 11.046 2.394 8.555 1.00 1.68 O ATOM 276 CB ALA A 18 9.722 1.435 5.417 1.00 1.09 C ATOM 0 H ALA A 18 7.860 2.998 6.470 1.00 0.74 H new ATOM 0 HA ALA A 18 9.521 0.761 7.444 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.733 1.047 5.292 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.004 0.704 5.044 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.618 2.364 4.857 1.00 1.09 H new ATOM 363 N LEU A 26 11.451 6.410 -2.271 1.00 1.15 N ATOM 364 CA LEU A 26 10.268 6.476 -3.117 1.00 1.01 C ATOM 365 C LEU A 26 10.000 7.921 -3.514 1.00 1.04 C ATOM 366 O LEU A 26 8.856 8.318 -3.736 1.00 1.18 O ATOM 367 CB LEU A 26 9.047 5.902 -2.381 1.00 1.12 C ATOM 368 CG LEU A 26 8.875 4.374 -2.450 1.00 0.89 C ATOM 369 CD1 LEU A 26 10.059 3.643 -1.840 1.00 1.28 C ATOM 370 CD2 LEU A 26 7.588 3.954 -1.759 1.00 1.60 C ATOM 0 HA LEU A 26 10.445 5.881 -4.013 1.00 1.01 H new ATOM 0 HB2 LEU A 26 9.109 6.194 -1.333 1.00 1.12 H new ATOM 0 HB3 LEU A 26 8.150 6.368 -2.789 1.00 1.12 H new ATOM 0 HG LEU A 26 8.823 4.099 -3.503 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.897 2.567 -1.909 1.00 1.28 H new ATOM 0 HD12 LEU A 26 10.968 3.909 -2.380 1.00 1.28 H new ATOM 0 HD13 LEU A 26 10.162 3.928 -0.793 1.00 1.28 H new ATOM 0 HD21 LEU A 26 7.481 2.871 -1.816 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.620 4.261 -0.713 1.00 1.60 H new ATOM 0 HD23 LEU A 26 6.739 4.429 -2.251 1.00 1.60 H new ATOM 382 N SER A 27 11.074 8.700 -3.616 1.00 1.09 N ATOM 383 CA SER A 27 10.974 10.127 -3.904 1.00 1.24 C ATOM 384 C SER A 27 10.684 10.377 -5.387 1.00 1.33 C ATOM 385 O SER A 27 10.488 11.519 -5.809 1.00 1.85 O ATOM 386 CB SER A 27 12.272 10.824 -3.490 1.00 1.39 C ATOM 387 OG SER A 27 12.668 10.424 -2.186 1.00 2.08 O ATOM 0 H SER A 27 12.030 8.363 -3.502 1.00 1.09 H new ATOM 0 HA SER A 27 10.142 10.538 -3.332 1.00 1.24 H new ATOM 0 HB2 SER A 27 13.061 10.586 -4.203 1.00 1.39 H new ATOM 0 HB3 SER A 27 12.134 11.905 -3.517 1.00 1.39 H new ATOM 0 HG SER A 27 13.500 10.880 -1.943 1.00 2.08 H new ATOM 393 N GLY A 28 10.669 9.310 -6.173 1.00 1.34 N ATOM 394 CA GLY A 28 10.304 9.422 -7.570 1.00 1.58 C ATOM 395 C GLY A 28 8.934 8.832 -7.825 1.00 1.41 C ATOM 396 O GLY A 28 7.927 9.547 -7.843 1.00 1.84 O ATOM 0 H GLY A 28 10.904 8.366 -5.867 1.00 1.34 H new ATOM 0 HA2 GLY A 28 10.313 10.470 -7.868 1.00 1.58 H new ATOM 0 HA3 GLY A 28 11.044 8.909 -8.185 1.00 1.58 H new ATOM 400 N ASP A 29 8.891 7.526 -8.008 1.00 1.35 N ATOM 401 CA ASP A 29 7.632 6.814 -8.152 1.00 1.28 C ATOM 402 C ASP A 29 7.663 5.563 -7.288 1.00 1.21 C ATOM 403 O ASP A 29 8.643 5.320 -6.581 1.00 1.84 O ATOM 404 CB ASP A 29 7.362 6.435 -9.611 1.00 1.54 C ATOM 405 CG ASP A 29 8.165 5.233 -10.068 1.00 2.18 C ATOM 406 OD1 ASP A 29 9.390 5.377 -10.264 1.00 2.64 O ATOM 407 OD2 ASP A 29 7.578 4.143 -10.223 1.00 2.77 O ATOM 0 H ASP A 29 9.718 6.932 -8.061 1.00 1.35 H new ATOM 0 HA ASP A 29 6.826 7.472 -7.828 1.00 1.28 H new ATOM 0 HB2 ASP A 29 6.300 6.224 -9.736 1.00 1.54 H new ATOM 0 HB3 ASP A 29 7.595 7.286 -10.251 1.00 1.54 H new ATOM 412 N PHE A 30 6.603 4.774 -7.346 1.00 0.72 N ATOM 413 CA PHE A 30 6.524 3.552 -6.555 1.00 0.64 C ATOM 414 C PHE A 30 5.361 2.685 -7.015 1.00 0.53 C ATOM 415 O PHE A 30 5.438 1.463 -6.963 1.00 0.50 O ATOM 416 CB PHE A 30 6.386 3.873 -5.054 1.00 0.64 C ATOM 417 CG PHE A 30 5.110 4.586 -4.671 1.00 0.57 C ATOM 418 CD1 PHE A 30 4.895 5.908 -5.031 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.128 3.927 -3.947 1.00 0.70 C ATOM 420 CE1 PHE A 30 3.726 6.554 -4.681 1.00 0.92 C ATOM 421 CE2 PHE A 30 2.958 4.571 -3.594 1.00 0.87 C ATOM 422 CZ PHE A 30 2.757 5.885 -3.961 1.00 0.92 C ATOM 0 H PHE A 30 5.786 4.955 -7.930 1.00 0.72 H new ATOM 0 HA PHE A 30 7.451 2.999 -6.705 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.448 2.942 -4.491 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.234 4.487 -4.749 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.651 6.438 -5.592 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.280 2.898 -3.656 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.570 7.583 -4.971 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.201 4.046 -3.031 1.00 0.87 H new ATOM 0 HZ PHE A 30 1.843 6.390 -3.685 1.00 0.92 H new ATOM 432 N LEU A 31 4.293 3.332 -7.472 1.00 0.50 N ATOM 433 CA LEU A 31 3.075 2.643 -7.897 1.00 0.45 C ATOM 434 C LEU A 31 3.345 1.536 -8.911 1.00 0.41 C ATOM 435 O LEU A 31 2.687 0.497 -8.889 1.00 0.43 O ATOM 436 CB LEU A 31 2.080 3.640 -8.492 1.00 0.52 C ATOM 437 CG LEU A 31 1.516 4.674 -7.513 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.634 5.661 -8.242 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.738 3.999 -6.393 1.00 0.43 C ATOM 0 H LEU A 31 4.246 4.347 -7.559 1.00 0.50 H new ATOM 0 HA LEU A 31 2.655 2.178 -7.005 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.568 4.169 -9.310 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.248 3.083 -8.924 1.00 0.52 H new ATOM 0 HG LEU A 31 2.354 5.211 -7.068 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.240 6.390 -7.533 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.218 6.176 -9.005 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.193 5.130 -8.714 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.349 4.756 -5.713 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.091 3.431 -6.816 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.398 3.325 -5.847 1.00 0.43 H new ATOM 451 N ASP A 32 4.309 1.754 -9.792 1.00 0.41 N ATOM 452 CA ASP A 32 4.553 0.821 -10.885 1.00 0.43 C ATOM 453 C ASP A 32 5.639 -0.188 -10.524 1.00 0.42 C ATOM 454 O ASP A 32 5.813 -1.199 -11.206 1.00 0.51 O ATOM 455 CB ASP A 32 4.957 1.578 -12.151 1.00 0.56 C ATOM 456 CG ASP A 32 3.963 2.653 -12.541 1.00 1.39 C ATOM 457 OD1 ASP A 32 2.743 2.385 -12.480 1.00 1.73 O ATOM 458 OD2 ASP A 32 4.391 3.763 -12.914 1.00 2.29 O ATOM 0 H ASP A 32 4.932 2.562 -9.774 1.00 0.41 H new ATOM 0 HA ASP A 32 3.626 0.278 -11.067 1.00 0.43 H new ATOM 0 HB2 ASP A 32 5.935 2.034 -11.998 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.060 0.870 -12.974 1.00 0.56 H new ATOM 463 N LEU A 33 6.369 0.090 -9.456 1.00 0.43 N ATOM 464 CA LEU A 33 7.462 -0.779 -9.033 1.00 0.48 C ATOM 465 C LEU A 33 6.954 -1.869 -8.096 1.00 0.42 C ATOM 466 O LEU A 33 5.998 -1.659 -7.356 1.00 0.46 O ATOM 467 CB LEU A 33 8.555 0.036 -8.345 1.00 0.56 C ATOM 468 CG LEU A 33 9.246 1.076 -9.231 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.259 1.879 -8.428 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.921 0.404 -10.416 1.00 1.01 C ATOM 0 H LEU A 33 6.227 0.909 -8.865 1.00 0.43 H new ATOM 0 HA LEU A 33 7.882 -1.253 -9.920 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.120 0.546 -7.485 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.310 -0.650 -7.960 1.00 0.56 H new ATOM 0 HG LEU A 33 8.487 1.761 -9.608 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.738 2.612 -9.077 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.751 2.393 -7.612 1.00 1.23 H new ATOM 0 HD13 LEU A 33 11.014 1.207 -8.019 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.407 1.159 -11.034 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.667 -0.305 -10.056 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.174 -0.125 -11.008 1.00 1.01 H new ATOM 482 N ARG A 34 7.594 -3.030 -8.131 1.00 0.40 N ATOM 483 CA ARG A 34 7.167 -4.168 -7.321 1.00 0.39 C ATOM 484 C ARG A 34 7.540 -3.959 -5.859 1.00 0.36 C ATOM 485 O ARG A 34 8.599 -3.404 -5.567 1.00 0.42 O ATOM 486 CB ARG A 34 7.817 -5.454 -7.819 1.00 0.50 C ATOM 487 CG ARG A 34 7.803 -5.602 -9.329 1.00 0.66 C ATOM 488 CD ARG A 34 8.253 -6.989 -9.735 1.00 0.80 C ATOM 489 NE ARG A 34 7.368 -8.018 -9.191 1.00 1.41 N ATOM 490 CZ ARG A 34 7.775 -9.226 -8.813 1.00 1.84 C ATOM 491 NH1 ARG A 34 9.051 -9.568 -8.926 1.00 1.72 N ATOM 492 NH2 ARG A 34 6.903 -10.085 -8.305 1.00 2.88 N ATOM 0 H ARG A 34 8.413 -3.211 -8.712 1.00 0.40 H new ATOM 0 HA ARG A 34 6.084 -4.250 -7.409 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.849 -5.488 -7.469 1.00 0.50 H new ATOM 0 HB3 ARG A 34 7.302 -6.306 -7.375 1.00 0.50 H new ATOM 0 HG2 ARG A 34 6.798 -5.415 -9.708 1.00 0.66 H new ATOM 0 HG3 ARG A 34 8.458 -4.856 -9.779 1.00 0.66 H new ATOM 0 HD2 ARG A 34 8.274 -7.063 -10.822 1.00 0.80 H new ATOM 0 HD3 ARG A 34 9.271 -7.160 -9.384 1.00 0.80 H new ATOM 0 HE ARG A 34 6.377 -7.795 -9.096 1.00 1.41 H new ATOM 0 HH11 ARG A 34 9.726 -8.903 -9.304 1.00 1.72 H new ATOM 0 HH12 ARG A 34 9.358 -10.496 -8.635 1.00 1.72 H new ATOM 0 HH21 ARG A 34 5.924 -9.818 -8.205 1.00 2.88 H new ATOM 0 HH22 ARG A 34 7.211 -11.013 -8.014 1.00 2.88 H new ATOM 506 N PHE A 35 6.681 -4.408 -4.947 1.00 0.36 N ATOM 507 CA PHE A 35 6.939 -4.280 -3.510 1.00 0.39 C ATOM 508 C PHE A 35 8.289 -4.880 -3.113 1.00 0.46 C ATOM 509 O PHE A 35 9.120 -4.215 -2.499 1.00 0.49 O ATOM 510 CB PHE A 35 5.826 -4.953 -2.705 1.00 0.45 C ATOM 511 CG PHE A 35 4.498 -4.252 -2.782 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.361 -2.949 -2.339 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.389 -4.905 -3.291 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.138 -2.307 -2.401 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.162 -4.270 -3.357 1.00 0.59 C ATOM 516 CZ PHE A 35 2.036 -2.969 -2.911 1.00 0.59 C ATOM 0 H PHE A 35 5.798 -4.865 -5.175 1.00 0.36 H new ATOM 0 HA PHE A 35 6.964 -3.214 -3.284 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.705 -5.977 -3.060 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.133 -5.012 -1.661 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.219 -2.427 -1.940 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.483 -5.922 -3.641 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.043 -1.290 -2.051 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.304 -4.791 -3.757 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.080 -2.470 -2.960 1.00 0.59 H new ATOM 526 N GLU A 36 8.497 -6.140 -3.469 1.00 0.59 N ATOM 527 CA GLU A 36 9.739 -6.841 -3.148 1.00 0.76 C ATOM 528 C GLU A 36 10.954 -6.205 -3.834 1.00 0.71 C ATOM 529 O GLU A 36 12.087 -6.362 -3.382 1.00 0.80 O ATOM 530 CB GLU A 36 9.605 -8.335 -3.477 1.00 1.00 C ATOM 531 CG GLU A 36 9.011 -8.645 -4.849 1.00 1.26 C ATOM 532 CD GLU A 36 10.036 -8.645 -5.966 1.00 1.89 C ATOM 533 OE1 GLU A 36 10.750 -9.661 -6.119 1.00 2.28 O ATOM 534 OE2 GLU A 36 10.107 -7.654 -6.714 1.00 2.60 O ATOM 0 H GLU A 36 7.819 -6.703 -3.983 1.00 0.59 H new ATOM 0 HA GLU A 36 9.915 -6.745 -2.077 1.00 0.76 H new ATOM 0 HB2 GLU A 36 10.591 -8.795 -3.413 1.00 1.00 H new ATOM 0 HB3 GLU A 36 8.984 -8.805 -2.715 1.00 1.00 H new ATOM 0 HG2 GLU A 36 8.524 -9.620 -4.813 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.238 -7.911 -5.076 1.00 1.26 H new ATOM 541 N ASP A 37 10.706 -5.470 -4.909 1.00 0.65 N ATOM 542 CA ASP A 37 11.775 -4.843 -5.678 1.00 0.74 C ATOM 543 C ASP A 37 12.157 -3.488 -5.079 1.00 0.66 C ATOM 544 O ASP A 37 13.293 -3.037 -5.210 1.00 0.75 O ATOM 545 CB ASP A 37 11.340 -4.682 -7.139 1.00 0.86 C ATOM 546 CG ASP A 37 12.374 -3.994 -8.004 1.00 1.28 C ATOM 547 OD1 ASP A 37 13.522 -4.475 -8.074 1.00 1.38 O ATOM 548 OD2 ASP A 37 12.026 -2.987 -8.653 1.00 2.03 O ATOM 0 H ASP A 37 9.769 -5.292 -5.271 1.00 0.65 H new ATOM 0 HA ASP A 37 12.654 -5.486 -5.639 1.00 0.74 H new ATOM 0 HB2 ASP A 37 11.125 -5.666 -7.556 1.00 0.86 H new ATOM 0 HB3 ASP A 37 10.412 -4.112 -7.173 1.00 0.86 H new ATOM 553 N ILE A 38 11.209 -2.845 -4.402 1.00 0.54 N ATOM 554 CA ILE A 38 11.487 -1.569 -3.745 1.00 0.54 C ATOM 555 C ILE A 38 11.900 -1.762 -2.284 1.00 0.50 C ATOM 556 O ILE A 38 11.805 -0.841 -1.470 1.00 0.55 O ATOM 557 CB ILE A 38 10.300 -0.581 -3.828 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.996 -1.252 -3.398 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.177 -0.032 -5.237 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.815 -0.307 -3.306 1.00 0.57 C ATOM 0 H ILE A 38 10.252 -3.181 -4.294 1.00 0.54 H new ATOM 0 HA ILE A 38 12.322 -1.132 -4.293 1.00 0.54 H new ATOM 0 HB ILE A 38 10.492 0.245 -3.143 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.758 -2.046 -4.106 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.146 -1.725 -2.427 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.338 0.663 -5.285 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.096 0.489 -5.506 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.008 -0.853 -5.934 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.929 -0.861 -2.995 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.030 0.474 -2.576 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.636 0.147 -4.281 1.00 0.57 H new ATOM 572 N GLY A 39 12.379 -2.958 -1.971 1.00 0.53 N ATOM 573 CA GLY A 39 12.964 -3.216 -0.668 1.00 0.58 C ATOM 574 C GLY A 39 11.938 -3.387 0.438 1.00 0.51 C ATOM 575 O GLY A 39 12.104 -2.848 1.533 1.00 0.62 O ATOM 0 H GLY A 39 12.373 -3.760 -2.601 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.576 -4.116 -0.726 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.631 -2.393 -0.409 1.00 0.58 H new ATOM 579 N TYR A 40 10.878 -4.137 0.165 1.00 0.47 N ATOM 580 CA TYR A 40 9.880 -4.434 1.185 1.00 0.47 C ATOM 581 C TYR A 40 9.652 -5.934 1.293 1.00 0.55 C ATOM 582 O TYR A 40 9.165 -6.573 0.358 1.00 0.71 O ATOM 583 CB TYR A 40 8.557 -3.721 0.894 1.00 0.47 C ATOM 584 CG TYR A 40 8.591 -2.239 1.178 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.359 -1.756 2.459 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.859 -1.325 0.172 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.391 -0.402 2.727 1.00 0.53 C ATOM 588 CE2 TYR A 40 8.894 0.028 0.428 1.00 0.52 C ATOM 589 CZ TYR A 40 8.660 0.487 1.707 1.00 0.53 C ATOM 590 OH TYR A 40 8.694 1.839 1.963 1.00 0.61 O ATOM 0 H TYR A 40 10.687 -4.549 -0.749 1.00 0.47 H new ATOM 0 HA TYR A 40 10.263 -4.066 2.137 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.294 -3.875 -0.152 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.769 -4.179 1.492 1.00 0.47 H new ATOM 0 HD1 TYR A 40 8.150 -2.451 3.259 1.00 0.49 H new ATOM 0 HD2 TYR A 40 9.044 -1.680 -0.831 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.207 -0.041 3.728 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.104 0.726 -0.369 1.00 0.52 H new ATOM 0 HH TYR A 40 8.126 2.040 2.736 1.00 0.61 H new ATOM 600 N ASP A 41 10.027 -6.489 2.440 1.00 0.58 N ATOM 601 CA ASP A 41 9.806 -7.904 2.717 1.00 0.71 C ATOM 602 C ASP A 41 8.332 -8.169 2.956 1.00 0.66 C ATOM 603 O ASP A 41 7.560 -7.244 3.200 1.00 0.93 O ATOM 604 CB ASP A 41 10.604 -8.362 3.944 1.00 0.89 C ATOM 605 CG ASP A 41 12.104 -8.384 3.715 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.611 -9.387 3.179 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.779 -7.388 4.050 1.00 1.93 O ATOM 0 H ASP A 41 10.487 -5.980 3.195 1.00 0.58 H new ATOM 0 HA ASP A 41 10.146 -8.467 1.847 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.382 -7.700 4.781 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.273 -9.360 4.231 1.00 0.89 H new ATOM 612 N SER A 42 7.952 -9.435 2.889 1.00 0.63 N ATOM 613 CA SER A 42 6.581 -9.848 3.143 1.00 0.63 C ATOM 614 C SER A 42 6.071 -9.318 4.485 1.00 0.54 C ATOM 615 O SER A 42 4.959 -8.796 4.577 1.00 0.50 O ATOM 616 CB SER A 42 6.509 -11.367 3.105 1.00 0.77 C ATOM 617 OG SER A 42 7.635 -11.925 3.848 1.00 0.91 O ATOM 0 H SER A 42 8.583 -10.203 2.658 1.00 0.63 H new ATOM 0 HA SER A 42 5.939 -9.427 2.369 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.569 -11.708 3.538 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.531 -11.717 2.073 1.00 0.77 H new ATOM 0 HG SER A 42 7.589 -12.904 3.826 1.00 0.91 H new ATOM 622 N LEU A 43 6.898 -9.446 5.517 1.00 0.57 N ATOM 623 CA LEU A 43 6.554 -8.957 6.848 1.00 0.57 C ATOM 624 C LEU A 43 6.337 -7.444 6.828 1.00 0.48 C ATOM 625 O LEU A 43 5.384 -6.934 7.416 1.00 0.49 O ATOM 626 CB LEU A 43 7.661 -9.313 7.843 1.00 0.68 C ATOM 627 CG LEU A 43 7.413 -8.852 9.282 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.218 -9.572 9.878 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.645 -9.076 10.139 1.00 1.32 C ATOM 0 H LEU A 43 7.816 -9.887 5.457 1.00 0.57 H new ATOM 0 HA LEU A 43 5.626 -9.436 7.160 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.795 -10.395 7.842 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.596 -8.876 7.494 1.00 0.68 H new ATOM 0 HG LEU A 43 7.198 -7.784 9.261 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.060 -9.229 10.901 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.330 -9.359 9.282 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.404 -10.646 9.880 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.446 -8.741 11.157 1.00 1.32 H new ATOM 0 HD22 LEU A 43 8.894 -10.137 10.148 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.482 -8.511 9.728 1.00 1.32 H new ATOM 641 N ALA A 44 7.219 -6.729 6.144 1.00 0.44 N ATOM 642 CA ALA A 44 7.108 -5.279 6.042 1.00 0.41 C ATOM 643 C ALA A 44 5.849 -4.881 5.282 1.00 0.34 C ATOM 644 O ALA A 44 5.228 -3.858 5.568 1.00 0.36 O ATOM 645 CB ALA A 44 8.342 -4.698 5.368 1.00 0.47 C ATOM 0 H ALA A 44 8.019 -7.128 5.652 1.00 0.44 H new ATOM 0 HA ALA A 44 7.038 -4.872 7.051 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.243 -3.615 5.300 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.227 -4.945 5.954 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.441 -5.117 4.367 1.00 0.47 H new ATOM 651 N LEU A 45 5.469 -5.715 4.325 1.00 0.35 N ATOM 652 CA LEU A 45 4.311 -5.447 3.487 1.00 0.35 C ATOM 653 C LEU A 45 3.011 -5.573 4.280 1.00 0.34 C ATOM 654 O LEU A 45 2.117 -4.730 4.157 1.00 0.36 O ATOM 655 CB LEU A 45 4.300 -6.398 2.289 1.00 0.43 C ATOM 656 CG LEU A 45 3.211 -6.128 1.249 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.316 -4.705 0.720 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.318 -7.126 0.105 1.00 0.74 C ATOM 0 H LEU A 45 5.950 -6.588 4.109 1.00 0.35 H new ATOM 0 HA LEU A 45 4.382 -4.421 3.127 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.271 -6.346 1.796 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.183 -7.417 2.657 1.00 0.43 H new ATOM 0 HG LEU A 45 2.239 -6.245 1.728 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.533 -4.533 -0.018 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.199 -4.001 1.544 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.291 -4.561 0.255 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.538 -6.924 -0.629 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.295 -7.033 -0.369 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.198 -8.138 0.492 1.00 0.74 H new ATOM 670 N MET A 46 2.904 -6.613 5.107 1.00 0.36 N ATOM 671 CA MET A 46 1.708 -6.796 5.927 1.00 0.40 C ATOM 672 C MET A 46 1.609 -5.676 6.962 1.00 0.37 C ATOM 673 O MET A 46 0.514 -5.279 7.364 1.00 0.41 O ATOM 674 CB MET A 46 1.689 -8.174 6.607 1.00 0.49 C ATOM 675 CG MET A 46 2.805 -8.406 7.614 1.00 0.52 C ATOM 676 SD MET A 46 2.655 -9.988 8.473 1.00 1.21 S ATOM 677 CE MET A 46 1.117 -9.751 9.358 1.00 1.26 C ATOM 0 H MET A 46 3.619 -7.331 5.226 1.00 0.36 H new ATOM 0 HA MET A 46 0.838 -6.751 5.271 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.731 -8.301 7.112 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.748 -8.944 5.837 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.766 -8.366 7.100 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.801 -7.598 8.346 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.077 -10.433 10.207 1.00 1.26 H new ATOM 0 HE2 MET A 46 1.057 -8.723 9.715 1.00 1.26 H new ATOM 0 HE3 MET A 46 0.279 -9.953 8.691 1.00 1.26 H new ATOM 687 N GLU A 47 2.764 -5.158 7.371 1.00 0.37 N ATOM 688 CA GLU A 47 2.817 -4.005 8.263 1.00 0.42 C ATOM 689 C GLU A 47 2.242 -2.771 7.582 1.00 0.41 C ATOM 690 O GLU A 47 1.505 -1.992 8.193 1.00 0.47 O ATOM 691 CB GLU A 47 4.254 -3.730 8.706 1.00 0.48 C ATOM 692 CG GLU A 47 4.777 -4.730 9.718 1.00 0.62 C ATOM 693 CD GLU A 47 4.027 -4.667 11.028 1.00 1.21 C ATOM 694 OE1 GLU A 47 4.127 -3.640 11.724 1.00 1.18 O ATOM 695 OE2 GLU A 47 3.323 -5.645 11.363 1.00 2.20 O ATOM 0 H GLU A 47 3.678 -5.520 7.098 1.00 0.37 H new ATOM 0 HA GLU A 47 2.215 -4.234 9.143 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.903 -3.738 7.831 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.308 -2.729 9.134 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.699 -5.736 9.305 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.835 -4.541 9.898 1.00 0.62 H new ATOM 702 N THR A 48 2.578 -2.599 6.309 1.00 0.37 N ATOM 703 CA THR A 48 2.082 -1.473 5.537 1.00 0.42 C ATOM 704 C THR A 48 0.560 -1.556 5.379 1.00 0.40 C ATOM 705 O THR A 48 -0.139 -0.543 5.429 1.00 0.43 O ATOM 706 CB THR A 48 2.745 -1.410 4.149 1.00 0.45 C ATOM 707 OG1 THR A 48 4.173 -1.491 4.280 1.00 0.47 O ATOM 708 CG2 THR A 48 2.375 -0.117 3.442 1.00 0.54 C ATOM 0 H THR A 48 3.193 -3.227 5.792 1.00 0.37 H new ATOM 0 HA THR A 48 2.337 -0.564 6.082 1.00 0.42 H new ATOM 0 HB THR A 48 2.387 -2.253 3.559 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.423 -2.389 4.581 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.852 -0.089 2.462 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.293 -0.066 3.320 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.714 0.732 4.035 1.00 0.54 H new ATOM 716 N ALA A 49 0.055 -2.772 5.188 1.00 0.40 N ATOM 717 CA ALA A 49 -1.386 -3.000 5.091 1.00 0.39 C ATOM 718 C ALA A 49 -2.101 -2.509 6.347 1.00 0.34 C ATOM 719 O ALA A 49 -3.135 -1.841 6.264 1.00 0.33 O ATOM 720 CB ALA A 49 -1.675 -4.477 4.855 1.00 0.46 C ATOM 0 H ALA A 49 0.621 -3.615 5.097 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.765 -2.431 4.242 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.752 -4.630 4.785 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.202 -4.796 3.926 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.278 -5.062 5.684 1.00 0.46 H new ATOM 726 N ALA A 50 -1.523 -2.823 7.505 1.00 0.37 N ATOM 727 CA ALA A 50 -2.083 -2.412 8.786 1.00 0.40 C ATOM 728 C ALA A 50 -2.145 -0.892 8.876 1.00 0.39 C ATOM 729 O ALA A 50 -3.074 -0.329 9.453 1.00 0.44 O ATOM 730 CB ALA A 50 -1.260 -2.978 9.935 1.00 0.49 C ATOM 0 H ALA A 50 -0.662 -3.364 7.580 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.097 -2.806 8.861 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -1.693 -2.661 10.884 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.261 -4.067 9.882 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.236 -2.612 9.863 1.00 0.49 H new ATOM 736 N ARG A 51 -1.147 -0.242 8.280 1.00 0.37 N ATOM 737 CA ARG A 51 -1.082 1.215 8.234 1.00 0.44 C ATOM 738 C ARG A 51 -2.306 1.791 7.535 1.00 0.40 C ATOM 739 O ARG A 51 -2.896 2.772 7.989 1.00 0.52 O ATOM 740 CB ARG A 51 0.192 1.662 7.508 1.00 0.52 C ATOM 741 CG ARG A 51 1.453 1.477 8.330 1.00 0.68 C ATOM 742 CD ARG A 51 1.433 2.387 9.544 1.00 0.95 C ATOM 743 NE ARG A 51 2.396 1.993 10.566 1.00 1.47 N ATOM 744 CZ ARG A 51 2.107 1.962 11.865 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.872 2.236 12.272 1.00 1.94 N ATOM 746 NH2 ARG A 51 3.040 1.661 12.751 1.00 2.86 N ATOM 0 H ARG A 51 -0.366 -0.708 7.818 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.062 1.588 9.258 1.00 0.44 H new ATOM 0 HB2 ARG A 51 0.288 1.100 6.579 1.00 0.52 H new ATOM 0 HB3 ARG A 51 0.096 2.713 7.236 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.538 0.438 8.648 1.00 0.68 H new ATOM 0 HG3 ARG A 51 2.328 1.696 7.718 1.00 0.68 H new ATOM 0 HD2 ARG A 51 1.643 3.409 9.229 1.00 0.95 H new ATOM 0 HD3 ARG A 51 0.432 2.386 9.976 1.00 0.95 H new ATOM 0 HE ARG A 51 3.336 1.729 10.271 1.00 1.47 H new ATOM 0 HH11 ARG A 51 0.150 2.469 11.590 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.646 2.213 13.266 1.00 1.94 H new ATOM 0 HH21 ARG A 51 3.989 1.451 12.441 1.00 2.86 H new ATOM 0 HH22 ARG A 51 2.811 1.639 13.745 1.00 2.86 H new ATOM 760 N LEU A 52 -2.692 1.162 6.439 1.00 0.32 N ATOM 761 CA LEU A 52 -3.805 1.639 5.640 1.00 0.31 C ATOM 762 C LEU A 52 -5.132 1.395 6.348 1.00 0.27 C ATOM 763 O LEU A 52 -5.969 2.299 6.444 1.00 0.30 O ATOM 764 CB LEU A 52 -3.798 0.952 4.276 1.00 0.35 C ATOM 765 CG LEU A 52 -2.533 1.178 3.446 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.604 0.401 2.145 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.330 2.662 3.169 1.00 0.56 C ATOM 0 H LEU A 52 -2.248 0.316 6.081 1.00 0.32 H new ATOM 0 HA LEU A 52 -3.691 2.714 5.500 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.930 -0.120 4.425 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.657 1.303 3.704 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.679 0.816 4.019 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.696 0.574 1.568 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.699 -0.663 2.361 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.468 0.733 1.570 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.425 2.801 2.578 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.187 3.050 2.618 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.233 3.198 4.113 1.00 0.56 H new ATOM 779 N GLU A 53 -5.316 0.177 6.851 1.00 0.25 N ATOM 780 CA GLU A 53 -6.558 -0.187 7.526 1.00 0.26 C ATOM 781 C GLU A 53 -6.795 0.671 8.765 1.00 0.30 C ATOM 782 O GLU A 53 -7.909 1.119 9.002 1.00 0.36 O ATOM 783 CB GLU A 53 -6.581 -1.669 7.908 1.00 0.27 C ATOM 784 CG GLU A 53 -6.609 -2.609 6.716 1.00 0.32 C ATOM 785 CD GLU A 53 -6.989 -4.026 7.105 1.00 0.41 C ATOM 786 OE1 GLU A 53 -6.280 -4.632 7.935 1.00 0.51 O ATOM 787 OE2 GLU A 53 -8.015 -4.527 6.603 1.00 0.48 O ATOM 0 H GLU A 53 -4.624 -0.571 6.804 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.364 -0.002 6.816 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.703 -1.892 8.514 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.455 -1.861 8.531 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.319 -2.235 5.978 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.629 -2.616 6.240 1.00 0.32 H new ATOM 794 N SER A 54 -5.749 0.909 9.543 1.00 0.36 N ATOM 795 CA SER A 54 -5.874 1.678 10.779 1.00 0.46 C ATOM 796 C SER A 54 -6.221 3.149 10.515 1.00 0.43 C ATOM 797 O SER A 54 -6.814 3.815 11.364 1.00 0.53 O ATOM 798 CB SER A 54 -4.580 1.579 11.585 1.00 0.59 C ATOM 799 OG SER A 54 -4.247 0.223 11.842 1.00 1.42 O ATOM 0 H SER A 54 -4.804 0.582 9.343 1.00 0.36 H new ATOM 0 HA SER A 54 -6.697 1.250 11.351 1.00 0.46 H new ATOM 0 HB2 SER A 54 -3.769 2.060 11.039 1.00 0.59 H new ATOM 0 HB3 SER A 54 -4.692 2.115 12.527 1.00 0.59 H new ATOM 0 HG SER A 54 -3.917 -0.194 11.019 1.00 1.42 H new ATOM 805 N ARG A 55 -5.856 3.654 9.341 1.00 0.37 N ATOM 806 CA ARG A 55 -6.094 5.056 9.021 1.00 0.40 C ATOM 807 C ARG A 55 -7.499 5.270 8.469 1.00 0.40 C ATOM 808 O ARG A 55 -8.201 6.191 8.886 1.00 0.47 O ATOM 809 CB ARG A 55 -5.051 5.568 8.024 1.00 0.47 C ATOM 810 CG ARG A 55 -5.262 7.022 7.620 1.00 0.66 C ATOM 811 CD ARG A 55 -4.098 7.566 6.803 1.00 0.87 C ATOM 812 NE ARG A 55 -2.851 7.576 7.569 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.659 7.900 7.064 1.00 1.64 C ATOM 814 NH1 ARG A 55 -1.561 8.376 5.829 1.00 1.89 N ATOM 815 NH2 ARG A 55 -0.571 7.794 7.814 1.00 2.42 N ATOM 0 H ARG A 55 -5.399 3.119 8.602 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.004 5.624 9.947 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.058 5.461 8.461 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.076 4.943 7.131 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.181 7.107 7.041 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.392 7.631 8.515 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.969 6.959 5.907 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.329 8.579 6.472 1.00 0.87 H new ATOM 0 HE ARG A 55 -2.896 7.318 8.555 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.399 8.496 5.261 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -0.647 8.622 5.448 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -0.645 7.465 8.777 1.00 2.42 H new ATOM 0 HH22 ARG A 55 0.340 8.042 7.428 1.00 2.42 H new ATOM 829 N TYR A 56 -7.912 4.424 7.542 1.00 0.38 N ATOM 830 CA TYR A 56 -9.196 4.606 6.879 1.00 0.46 C ATOM 831 C TYR A 56 -10.301 3.782 7.534 1.00 0.51 C ATOM 832 O TYR A 56 -11.481 4.074 7.354 1.00 0.71 O ATOM 833 CB TYR A 56 -9.087 4.240 5.400 1.00 0.52 C ATOM 834 CG TYR A 56 -8.177 5.151 4.604 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.653 6.351 4.084 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.850 4.814 4.370 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.829 7.187 3.354 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.022 5.644 3.638 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.517 6.829 3.132 1.00 0.91 C ATOM 840 OH TYR A 56 -5.694 7.647 2.392 1.00 1.08 O ATOM 0 H TYR A 56 -7.383 3.609 7.231 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.462 5.658 6.977 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.722 3.216 5.316 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.083 4.261 4.957 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.682 6.633 4.253 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.459 3.889 4.766 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -8.212 8.117 2.959 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.993 5.367 3.463 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.976 8.579 2.500 1.00 1.08 H new ATOM 850 N GLY A 57 -9.920 2.760 8.292 1.00 0.41 N ATOM 851 CA GLY A 57 -10.905 1.886 8.907 1.00 0.46 C ATOM 852 C GLY A 57 -11.537 0.952 7.899 1.00 0.43 C ATOM 853 O GLY A 57 -12.732 0.664 7.964 1.00 0.58 O ATOM 0 H GLY A 57 -8.949 2.520 8.492 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.430 1.302 9.695 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -11.680 2.489 9.380 1.00 0.46 H new ATOM 857 N VAL A 58 -10.728 0.463 6.971 1.00 0.32 N ATOM 858 CA VAL A 58 -11.229 -0.372 5.891 1.00 0.33 C ATOM 859 C VAL A 58 -11.032 -1.848 6.200 1.00 0.33 C ATOM 860 O VAL A 58 -10.568 -2.211 7.281 1.00 0.34 O ATOM 861 CB VAL A 58 -10.542 -0.045 4.546 1.00 0.35 C ATOM 862 CG1 VAL A 58 -10.877 1.366 4.099 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.032 -0.219 4.656 1.00 0.30 C ATOM 0 H VAL A 58 -9.722 0.630 6.945 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.294 -0.158 5.803 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.918 -0.743 3.798 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.383 1.574 3.150 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -11.956 1.462 3.975 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.534 2.077 4.851 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.568 0.016 3.698 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.643 0.452 5.422 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.803 -1.250 4.927 1.00 0.30 H new ATOM 873 N SER A 59 -11.389 -2.689 5.246 1.00 0.39 N ATOM 874 CA SER A 59 -11.219 -4.121 5.384 1.00 0.49 C ATOM 875 C SER A 59 -10.563 -4.697 4.137 1.00 0.48 C ATOM 876 O SER A 59 -11.179 -4.768 3.073 1.00 0.51 O ATOM 877 CB SER A 59 -12.573 -4.786 5.639 1.00 0.65 C ATOM 878 OG SER A 59 -13.564 -4.288 4.750 1.00 1.62 O ATOM 0 H SER A 59 -11.802 -2.399 4.360 1.00 0.39 H new ATOM 0 HA SER A 59 -10.568 -4.321 6.235 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.480 -5.865 5.517 1.00 0.65 H new ATOM 0 HB3 SER A 59 -12.881 -4.607 6.669 1.00 0.65 H new ATOM 0 HG SER A 59 -13.195 -4.239 3.843 1.00 1.62 H new ATOM 884 N ILE A 60 -9.300 -5.070 4.264 1.00 0.46 N ATOM 885 CA ILE A 60 -8.573 -5.678 3.163 1.00 0.46 C ATOM 886 C ILE A 60 -8.726 -7.197 3.213 1.00 0.54 C ATOM 887 O ILE A 60 -8.216 -7.847 4.127 1.00 0.60 O ATOM 888 CB ILE A 60 -7.071 -5.313 3.206 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.887 -3.792 3.140 1.00 0.40 C ATOM 890 CG2 ILE A 60 -6.326 -5.990 2.062 1.00 0.46 C ATOM 891 CD1 ILE A 60 -5.443 -3.347 3.261 1.00 0.45 C ATOM 0 H ILE A 60 -8.757 -4.962 5.120 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.994 -5.292 2.234 1.00 0.46 H new ATOM 0 HB ILE A 60 -6.655 -5.670 4.148 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -7.293 -3.426 2.197 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.468 -3.330 3.938 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.270 -5.723 2.107 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -6.431 -7.071 2.149 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.744 -5.661 1.111 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -5.392 -2.260 3.206 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -5.038 -3.681 4.216 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.860 -3.780 2.448 1.00 0.45 H new ATOM 903 N PRO A 61 -9.454 -7.775 2.247 1.00 0.59 N ATOM 904 CA PRO A 61 -9.652 -9.225 2.164 1.00 0.69 C ATOM 905 C PRO A 61 -8.358 -9.943 1.798 1.00 0.62 C ATOM 906 O PRO A 61 -7.794 -9.711 0.726 1.00 0.57 O ATOM 907 CB PRO A 61 -10.695 -9.397 1.049 1.00 0.81 C ATOM 908 CG PRO A 61 -11.247 -8.032 0.801 1.00 0.79 C ATOM 909 CD PRO A 61 -10.151 -7.069 1.167 1.00 0.62 C ATOM 0 HA PRO A 61 -9.971 -9.650 3.116 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -10.240 -9.806 0.147 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -11.481 -10.089 1.351 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -11.539 -7.913 -0.242 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -12.138 -7.856 1.403 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -9.491 -6.866 0.323 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -10.548 -6.110 1.499 1.00 0.62 H new ATOM 917 N ASP A 62 -7.902 -10.823 2.685 1.00 0.76 N ATOM 918 CA ASP A 62 -6.626 -11.523 2.512 1.00 0.82 C ATOM 919 C ASP A 62 -6.648 -12.458 1.302 1.00 0.67 C ATOM 920 O ASP A 62 -5.627 -13.044 0.943 1.00 0.77 O ATOM 921 CB ASP A 62 -6.256 -12.305 3.781 1.00 1.11 C ATOM 922 CG ASP A 62 -7.218 -13.436 4.087 1.00 1.39 C ATOM 923 OD1 ASP A 62 -8.329 -13.155 4.588 1.00 1.96 O ATOM 924 OD2 ASP A 62 -6.860 -14.606 3.841 1.00 1.99 O ATOM 0 H ASP A 62 -8.400 -11.072 3.539 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.865 -10.764 2.331 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -5.251 -12.712 3.669 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -6.230 -11.619 4.628 1.00 1.11 H new ATOM 929 N ASP A 63 -7.805 -12.572 0.659 1.00 0.66 N ATOM 930 CA ASP A 63 -7.940 -13.395 -0.540 1.00 0.71 C ATOM 931 C ASP A 63 -7.262 -12.716 -1.720 1.00 0.58 C ATOM 932 O ASP A 63 -6.231 -13.171 -2.210 1.00 0.62 O ATOM 933 CB ASP A 63 -9.413 -13.619 -0.895 1.00 0.96 C ATOM 934 CG ASP A 63 -10.159 -14.460 0.117 1.00 1.67 C ATOM 935 OD1 ASP A 63 -10.668 -13.891 1.099 1.00 2.44 O ATOM 936 OD2 ASP A 63 -10.198 -15.698 -0.046 1.00 2.03 O ATOM 0 H ASP A 63 -8.665 -12.105 0.948 1.00 0.66 H new ATOM 0 HA ASP A 63 -7.469 -14.356 -0.332 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.907 -12.652 -0.986 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -9.474 -14.101 -1.871 1.00 0.96 H new ATOM 941 N VAL A 64 -7.849 -11.609 -2.160 1.00 0.57 N ATOM 942 CA VAL A 64 -7.349 -10.879 -3.316 1.00 0.58 C ATOM 943 C VAL A 64 -6.099 -10.075 -2.957 1.00 0.53 C ATOM 944 O VAL A 64 -5.336 -9.667 -3.833 1.00 0.59 O ATOM 945 CB VAL A 64 -8.433 -9.941 -3.894 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.991 -9.343 -5.220 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.752 -10.682 -4.065 1.00 1.14 C ATOM 0 H VAL A 64 -8.677 -11.196 -1.730 1.00 0.57 H new ATOM 0 HA VAL A 64 -7.085 -11.613 -4.077 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.579 -9.127 -3.184 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.774 -8.688 -5.602 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.076 -8.769 -5.073 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.806 -10.143 -5.936 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.501 -10.003 -4.473 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.612 -11.521 -4.747 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -10.089 -11.054 -3.097 1.00 1.14 H new ATOM 957 N ALA A 65 -5.882 -9.876 -1.662 1.00 0.52 N ATOM 958 CA ALA A 65 -4.725 -9.127 -1.185 1.00 0.58 C ATOM 959 C ALA A 65 -3.425 -9.806 -1.587 1.00 0.56 C ATOM 960 O ALA A 65 -2.428 -9.149 -1.865 1.00 0.68 O ATOM 961 CB ALA A 65 -4.786 -8.958 0.322 1.00 0.67 C ATOM 0 H ALA A 65 -6.493 -10.223 -0.923 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.750 -8.142 -1.651 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.915 -8.397 0.661 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -5.693 -8.417 0.591 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -4.794 -9.939 0.798 1.00 0.67 H new ATOM 967 N GLY A 66 -3.450 -11.127 -1.638 1.00 0.50 N ATOM 968 CA GLY A 66 -2.261 -11.875 -1.999 1.00 0.56 C ATOM 969 C GLY A 66 -2.065 -11.971 -3.502 1.00 0.58 C ATOM 970 O GLY A 66 -1.481 -12.936 -3.994 1.00 0.77 O ATOM 0 H GLY A 66 -4.271 -11.697 -1.436 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -1.388 -11.400 -1.552 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -2.327 -12.879 -1.580 1.00 0.56 H new ATOM 974 N ARG A 67 -2.550 -10.972 -4.232 1.00 0.55 N ATOM 975 CA ARG A 67 -2.441 -10.964 -5.685 1.00 0.63 C ATOM 976 C ARG A 67 -2.052 -9.580 -6.203 1.00 0.58 C ATOM 977 O ARG A 67 -1.987 -9.361 -7.415 1.00 0.78 O ATOM 978 CB ARG A 67 -3.764 -11.405 -6.319 1.00 0.77 C ATOM 979 CG ARG A 67 -4.190 -12.812 -5.928 1.00 0.93 C ATOM 980 CD ARG A 67 -5.494 -13.200 -6.603 1.00 1.10 C ATOM 981 NE ARG A 67 -5.385 -13.138 -8.056 1.00 1.82 N ATOM 982 CZ ARG A 67 -6.246 -12.499 -8.840 1.00 2.63 C ATOM 983 NH1 ARG A 67 -7.318 -11.918 -8.319 1.00 2.86 N ATOM 984 NH2 ARG A 67 -6.037 -12.454 -10.147 1.00 3.63 N ATOM 0 H ARG A 67 -3.022 -10.157 -3.840 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.656 -11.667 -5.965 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.547 -10.704 -6.029 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.673 -11.351 -7.404 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -3.410 -13.521 -6.205 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.306 -12.872 -4.846 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.774 -14.209 -6.301 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.290 -12.534 -6.268 1.00 1.10 H new ATOM 0 HE ARG A 67 -4.599 -13.615 -8.498 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -7.483 -11.961 -7.313 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -7.977 -11.428 -8.924 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -5.217 -12.909 -10.548 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -6.696 -11.964 -10.752 1.00 3.63 H new ATOM 998 N VAL A 68 -1.797 -8.649 -5.289 1.00 0.50 N ATOM 999 CA VAL A 68 -1.375 -7.302 -5.670 1.00 0.48 C ATOM 1000 C VAL A 68 0.148 -7.187 -5.654 1.00 0.54 C ATOM 1001 O VAL A 68 0.785 -7.240 -4.603 1.00 0.95 O ATOM 1002 CB VAL A 68 -2.019 -6.215 -4.775 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.509 -6.125 -5.057 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.780 -6.492 -3.300 1.00 0.89 C ATOM 0 H VAL A 68 -1.874 -8.800 -4.283 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.726 -7.129 -6.688 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.548 -5.262 -5.014 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.954 -5.358 -4.423 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.666 -5.866 -6.104 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.978 -7.086 -4.847 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -2.246 -5.709 -2.702 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -2.214 -7.456 -3.036 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.708 -6.510 -3.102 1.00 0.89 H new ATOM 1014 N ASP A 69 0.726 -7.056 -6.838 1.00 0.38 N ATOM 1015 CA ASP A 69 2.182 -7.049 -6.987 1.00 0.43 C ATOM 1016 C ASP A 69 2.742 -5.630 -6.903 1.00 0.34 C ATOM 1017 O ASP A 69 3.806 -5.400 -6.321 1.00 0.41 O ATOM 1018 CB ASP A 69 2.564 -7.690 -8.330 1.00 0.65 C ATOM 1019 CG ASP A 69 4.058 -7.906 -8.493 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.547 -8.984 -8.108 1.00 1.75 O ATOM 1021 OD2 ASP A 69 4.741 -7.022 -9.045 1.00 1.65 O ATOM 0 H ASP A 69 0.213 -6.953 -7.713 1.00 0.38 H new ATOM 0 HA ASP A 69 2.614 -7.626 -6.170 1.00 0.43 H new ATOM 0 HB2 ASP A 69 2.054 -8.648 -8.425 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.206 -7.056 -9.141 1.00 0.65 H new ATOM 1026 N THR A 70 2.016 -4.683 -7.476 1.00 0.34 N ATOM 1027 CA THR A 70 2.439 -3.293 -7.487 1.00 0.31 C ATOM 1028 C THR A 70 1.471 -2.423 -6.688 1.00 0.28 C ATOM 1029 O THR A 70 0.282 -2.746 -6.574 1.00 0.28 O ATOM 1030 CB THR A 70 2.535 -2.760 -8.930 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.284 -2.948 -9.605 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.641 -3.466 -9.699 1.00 0.44 C ATOM 0 H THR A 70 1.125 -4.854 -7.942 1.00 0.34 H new ATOM 0 HA THR A 70 3.425 -3.246 -7.024 1.00 0.31 H new ATOM 0 HB THR A 70 2.770 -1.696 -8.885 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.352 -2.606 -10.521 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.687 -3.071 -10.714 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.595 -3.298 -9.200 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.434 -4.536 -9.735 1.00 0.44 H new ATOM 1040 N PRO A 71 1.975 -1.322 -6.096 1.00 0.29 N ATOM 1041 CA PRO A 71 1.147 -0.345 -5.377 1.00 0.29 C ATOM 1042 C PRO A 71 0.004 0.197 -6.227 1.00 0.27 C ATOM 1043 O PRO A 71 -1.013 0.633 -5.693 1.00 0.28 O ATOM 1044 CB PRO A 71 2.133 0.772 -5.038 1.00 0.34 C ATOM 1045 CG PRO A 71 3.452 0.093 -4.976 1.00 0.38 C ATOM 1046 CD PRO A 71 3.403 -0.963 -6.045 1.00 0.35 C ATOM 0 HA PRO A 71 0.663 -0.789 -4.507 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.124 1.554 -5.797 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.885 1.246 -4.088 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.266 0.796 -5.154 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.622 -0.348 -3.994 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.757 -0.583 -7.003 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.026 -1.821 -5.792 1.00 0.35 H new ATOM 1054 N ARG A 72 0.185 0.197 -7.548 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.879 0.581 -8.470 1.00 0.37 C ATOM 1056 C ARG A 72 -2.129 -0.252 -8.207 1.00 0.35 C ATOM 1057 O ARG A 72 -3.206 0.282 -7.940 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.432 0.390 -9.919 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.495 0.793 -10.924 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.118 0.411 -12.344 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.006 1.203 -12.873 1.00 1.76 N ATOM 1062 CZ ARG A 72 0.167 1.451 -14.173 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -0.700 0.981 -15.068 1.00 3.22 N ATOM 1064 NH2 ARG A 72 1.211 2.162 -14.575 1.00 3.56 N ATOM 0 H ARG A 72 1.060 -0.065 -8.002 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.107 1.635 -8.308 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.469 0.977 -10.096 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.168 -0.656 -10.077 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.440 0.318 -10.661 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -1.654 1.870 -10.870 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -0.850 -0.645 -12.371 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -1.986 0.536 -12.991 1.00 1.15 H new ATOM 0 HE ARG A 72 0.672 1.585 -12.214 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -1.501 0.429 -14.761 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -0.563 1.173 -16.060 1.00 3.22 H new ATOM 0 HH21 ARG A 72 1.879 2.518 -13.892 1.00 3.56 H new ATOM 0 HH22 ARG A 72 1.346 2.353 -15.568 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.958 -1.565 -8.266 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.046 -2.499 -8.012 1.00 0.39 C ATOM 1080 C GLU A 73 -3.544 -2.357 -6.580 1.00 0.36 C ATOM 1081 O GLU A 73 -4.744 -2.374 -6.328 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.578 -3.936 -8.255 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.184 -4.223 -9.694 1.00 0.56 C ATOM 1084 CD GLU A 73 -3.347 -4.075 -10.658 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -4.361 -4.781 -10.484 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -3.261 -3.232 -11.577 1.00 2.43 O ATOM 0 H GLU A 73 -1.068 -2.011 -8.490 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.863 -2.269 -8.696 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.726 -4.144 -7.608 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.375 -4.621 -7.964 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -1.383 -3.545 -9.990 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.786 -5.236 -9.763 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.607 -2.201 -5.654 1.00 0.33 N ATOM 1094 CA LEU A 74 -2.928 -2.040 -4.238 1.00 0.34 C ATOM 1095 C LEU A 74 -3.881 -0.860 -4.037 1.00 0.33 C ATOM 1096 O LEU A 74 -4.951 -1.008 -3.443 1.00 0.36 O ATOM 1097 CB LEU A 74 -1.620 -1.841 -3.449 1.00 0.34 C ATOM 1098 CG LEU A 74 -1.691 -2.045 -1.928 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.358 -0.864 -1.241 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.418 -3.342 -1.600 1.00 0.98 C ATOM 0 H LEU A 74 -1.608 -2.182 -5.859 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.432 -2.933 -3.870 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -0.874 -2.527 -3.849 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.258 -0.831 -3.640 1.00 0.34 H new ATOM 0 HG LEU A 74 -0.671 -2.113 -1.550 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -2.392 -1.040 -0.166 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -1.788 0.043 -1.442 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.373 -0.747 -1.622 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -2.460 -3.472 -0.519 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.431 -3.303 -2.000 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -1.884 -4.181 -2.046 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.486 0.297 -4.548 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.295 1.508 -4.449 1.00 0.33 C ATOM 1114 C LEU A 75 -5.657 1.319 -5.116 1.00 0.35 C ATOM 1115 O LEU A 75 -6.699 1.553 -4.501 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.553 2.685 -5.097 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.263 4.039 -5.017 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.422 4.483 -3.571 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.497 5.079 -5.817 1.00 0.91 C ATOM 0 H LEU A 75 -2.602 0.425 -5.040 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.462 1.720 -3.393 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.575 2.779 -4.625 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.379 2.448 -6.146 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.259 3.933 -5.446 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.929 5.447 -3.540 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -5.012 3.745 -3.027 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.439 4.575 -3.108 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.011 6.038 -5.753 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.490 5.179 -5.413 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.440 4.767 -6.860 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.635 0.872 -6.369 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.850 0.728 -7.168 1.00 0.44 C ATOM 1133 C ASP A 76 -7.816 -0.273 -6.539 1.00 0.40 C ATOM 1134 O ASP A 76 -9.030 -0.088 -6.584 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.489 0.293 -8.591 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.681 0.294 -9.530 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -7.989 1.359 -10.105 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.331 -0.764 -9.676 1.00 1.43 O ATOM 0 H ASP A 76 -4.781 0.601 -6.857 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.350 1.696 -7.202 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.722 0.959 -8.985 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.057 -0.708 -8.561 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.267 -1.319 -5.933 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.073 -2.340 -5.271 1.00 0.38 C ATOM 1145 C LEU A 77 -8.875 -1.717 -4.135 1.00 0.34 C ATOM 1146 O LEU A 77 -10.092 -1.892 -4.047 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.158 -3.462 -4.746 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.846 -4.723 -4.190 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -8.380 -4.498 -2.782 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -8.963 -5.181 -5.116 1.00 1.66 C ATOM 0 H LEU A 77 -6.261 -1.484 -5.886 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.774 -2.769 -5.987 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.496 -3.767 -5.557 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.528 -3.045 -3.960 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.092 -5.509 -4.137 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -8.858 -5.410 -2.424 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -7.556 -4.236 -2.118 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -9.108 -3.687 -2.794 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -9.435 -6.073 -4.704 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -9.705 -4.388 -5.210 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -8.550 -5.410 -6.098 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.194 -0.969 -3.282 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.835 -0.350 -2.137 1.00 0.31 C ATOM 1164 C ILE A 78 -9.765 0.777 -2.584 1.00 0.34 C ATOM 1165 O ILE A 78 -10.844 0.964 -2.020 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.786 0.179 -1.138 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.903 -0.982 -0.674 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.463 0.855 0.050 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.742 -0.567 0.201 1.00 0.40 C ATOM 0 H ILE A 78 -7.196 -0.777 -3.363 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.432 -1.110 -1.633 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.165 0.927 -1.631 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.519 -1.696 -0.127 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.515 -1.502 -1.550 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.704 1.220 0.742 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.066 1.692 -0.303 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.104 0.136 0.561 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.168 -1.449 0.486 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.101 0.122 -0.348 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.120 -0.075 1.097 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.356 1.514 -3.614 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.207 2.556 -4.182 1.00 0.44 C ATOM 1183 C ASN A 79 -11.499 1.961 -4.727 1.00 0.44 C ATOM 1184 O ASN A 79 -12.577 2.508 -4.505 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.486 3.329 -5.295 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.446 4.307 -4.771 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.467 4.615 -5.451 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.652 4.817 -3.568 1.00 0.78 N ATOM 0 H ASN A 79 -8.449 1.411 -4.069 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.444 3.252 -3.377 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.002 2.619 -5.966 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.223 3.874 -5.885 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.989 5.487 -3.178 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -9.474 4.540 -3.031 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.386 0.835 -5.427 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.551 0.178 -5.997 1.00 0.47 C ATOM 1197 C GLY A 80 -13.544 -0.268 -4.942 1.00 0.48 C ATOM 1198 O GLY A 80 -14.756 -0.191 -5.144 1.00 0.54 O ATOM 0 H GLY A 80 -10.501 0.362 -5.611 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.045 0.859 -6.690 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.228 -0.687 -6.576 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.024 -0.718 -3.809 1.00 0.49 N ATOM 1203 CA ALA A 81 -13.862 -1.171 -2.703 1.00 0.56 C ATOM 1204 C ALA A 81 -14.577 0.002 -2.047 1.00 0.61 C ATOM 1205 O ALA A 81 -15.780 -0.052 -1.786 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.019 -1.918 -1.676 1.00 0.60 C ATOM 0 H ALA A 81 -12.022 -0.780 -3.629 1.00 0.49 H new ATOM 0 HA ALA A 81 -14.617 -1.849 -3.101 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -13.655 -2.251 -0.856 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -12.553 -2.783 -2.148 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.245 -1.255 -1.289 1.00 0.60 H new ATOM 1212 N LEU A 82 -13.835 1.072 -1.807 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.384 2.247 -1.145 1.00 0.64 C ATOM 1214 C LEU A 82 -15.360 2.990 -2.046 1.00 0.70 C ATOM 1215 O LEU A 82 -16.329 3.572 -1.570 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.261 3.186 -0.715 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.355 2.644 0.390 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.278 3.657 0.744 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.182 2.294 1.617 1.00 0.85 C ATOM 0 H LEU A 82 -12.850 1.152 -2.061 1.00 0.57 H new ATOM 0 HA LEU A 82 -14.927 1.905 -0.264 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.648 3.418 -1.586 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.701 4.124 -0.376 1.00 0.64 H new ATOM 0 HG LEU A 82 -11.865 1.740 0.028 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.643 3.253 1.532 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.672 3.867 -0.138 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.745 4.579 1.091 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.528 1.909 2.399 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.693 3.187 1.978 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.919 1.535 1.354 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.107 2.949 -3.345 1.00 0.63 N ATOM 1232 CA ALA A 83 -15.924 3.676 -4.315 1.00 0.71 C ATOM 1233 C ALA A 83 -17.365 3.176 -4.330 1.00 0.85 C ATOM 1234 O ALA A 83 -18.273 3.891 -4.752 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.319 3.557 -5.705 1.00 0.70 C ATOM 0 H ALA A 83 -14.340 2.418 -3.757 1.00 0.63 H new ATOM 0 HA ALA A 83 -15.938 4.723 -4.013 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -15.937 4.103 -6.419 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.313 3.976 -5.701 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.273 2.507 -5.993 1.00 0.70 H new