USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 503 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 71 HIS : no HD1:sc= 0 X(o=0.035,f=0.058) USER MOD Set 1.2: A 73 SER OG : rot 27:sc= 0.0354 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 MET CE :methyl -147:sc= -2.11! (180deg=-2.82!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 27 SER OG : rot 90:sc= 0.00122 USER MOD Single : A 28 GLN : amide:sc= 0.114 X(o=0.11,f=-0.065) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.523 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.207 K(o=-0.21,f=-2!) USER MOD Single : A 56 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.5!) USER MOD Single : A 57 SER OG : rot 93:sc= 0.094 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0838 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.263 6.747 0.401 1.00 0.00 N ATOM 60 CA GLY A 7 -4.286 5.766 0.834 1.00 0.00 C ATOM 61 C GLY A 7 -4.895 4.688 1.709 1.00 0.00 C ATOM 62 O GLY A 7 -5.945 4.894 2.318 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.828 5.304 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.490 6.269 1.383 1.00 0.00 H new ATOM 66 N VAL A 8 -4.235 3.537 1.773 1.00 0.00 N ATOM 67 CA VAL A 8 -4.718 2.422 2.579 1.00 0.00 C ATOM 68 C VAL A 8 -3.559 1.600 3.131 1.00 0.00 C ATOM 69 O VAL A 8 -2.534 1.430 2.471 1.00 0.00 O ATOM 70 CB VAL A 8 -5.645 1.500 1.766 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.010 2.146 1.578 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.016 1.164 0.423 1.00 0.00 C ATOM 0 H VAL A 8 -3.364 3.352 1.276 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.282 2.852 3.407 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.782 0.571 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.651 1.480 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.462 2.331 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.895 3.090 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.684 0.512 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.848 2.082 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.064 0.657 0.584 1.00 0.00 H new ATOM 82 N PHE A 9 -3.728 1.092 4.347 1.00 0.00 N ATOM 83 CA PHE A 9 -2.695 0.287 4.990 1.00 0.00 C ATOM 84 C PHE A 9 -2.927 -1.200 4.736 1.00 0.00 C ATOM 85 O PHE A 9 -3.882 -1.786 5.246 1.00 0.00 O ATOM 86 CB PHE A 9 -2.667 0.561 6.495 1.00 0.00 C ATOM 87 CG PHE A 9 -1.886 1.788 6.867 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.502 1.751 6.931 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.535 2.978 7.153 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.220 2.879 7.273 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.817 4.110 7.495 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.438 4.059 7.556 1.00 0.00 C ATOM 0 H PHE A 9 -4.570 1.223 4.907 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.733 0.565 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.690 0.668 6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.238 -0.301 7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.018 0.830 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.613 3.023 7.108 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.298 2.837 7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.334 5.033 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.124 4.941 7.825 1.00 0.00 H new ATOM 102 N VAL A 10 -2.048 -1.803 3.943 1.00 0.00 N ATOM 103 CA VAL A 10 -2.155 -3.221 3.621 1.00 0.00 C ATOM 104 C VAL A 10 -1.365 -4.070 4.609 1.00 0.00 C ATOM 105 O VAL A 10 -0.283 -4.563 4.294 1.00 0.00 O ATOM 106 CB VAL A 10 -1.654 -3.512 2.194 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.923 -4.962 1.818 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.304 -2.565 1.197 1.00 0.00 C ATOM 0 H VAL A 10 -1.253 -1.332 3.511 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.211 -3.482 3.687 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.577 -3.348 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.562 -5.149 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.405 -5.621 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.995 -5.157 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.938 -2.785 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.386 -2.694 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.054 -1.536 1.456 1.00 0.00 H new ATOM 118 N GLY A 11 -1.915 -4.239 5.808 1.00 0.00 N ATOM 119 CA GLY A 11 -1.247 -5.031 6.825 1.00 0.00 C ATOM 120 C GLY A 11 -1.146 -6.495 6.446 1.00 0.00 C ATOM 121 O GLY A 11 -1.610 -6.901 5.381 1.00 0.00 O ATOM 0 H GLY A 11 -2.810 -3.842 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.246 -4.632 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.788 -4.939 7.767 1.00 0.00 H new ATOM 125 N ARG A 12 -0.535 -7.289 7.319 1.00 0.00 N ATOM 126 CA ARG A 12 -0.370 -8.716 7.069 1.00 0.00 C ATOM 127 C ARG A 12 0.249 -8.959 5.697 1.00 0.00 C ATOM 128 O ARG A 12 -0.231 -9.791 4.926 1.00 0.00 O ATOM 129 CB ARG A 12 -1.719 -9.431 7.166 1.00 0.00 C ATOM 130 CG ARG A 12 -2.355 -9.349 8.544 1.00 0.00 C ATOM 131 CD ARG A 12 -2.988 -10.671 8.946 1.00 0.00 C ATOM 132 NE ARG A 12 -3.349 -10.699 10.361 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.244 -11.534 10.875 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.865 -12.409 10.096 1.00 0.00 N ATOM 135 NH2 ARG A 12 -4.518 -11.498 12.173 1.00 0.00 N ATOM 0 H ARG A 12 -0.146 -6.968 8.206 1.00 0.00 H new ATOM 0 HA ARG A 12 0.302 -9.117 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.402 -9.000 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.585 -10.479 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.600 -9.068 9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.112 -8.565 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.878 -10.845 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.294 -11.484 8.733 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.888 -10.041 10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.656 -12.442 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.552 -13.049 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.041 -10.828 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.206 -12.140 12.567 1.00 0.00 H new ATOM 149 N CYS A 13 1.317 -8.228 5.398 1.00 0.00 N ATOM 150 CA CYS A 13 2.001 -8.364 4.116 1.00 0.00 C ATOM 151 C CYS A 13 3.438 -8.835 4.315 1.00 0.00 C ATOM 152 O CYS A 13 3.846 -9.169 5.429 1.00 0.00 O ATOM 153 CB CYS A 13 1.989 -7.032 3.364 1.00 0.00 C ATOM 154 SG CYS A 13 1.104 -7.081 1.790 1.00 0.00 S ATOM 0 H CYS A 13 1.728 -7.536 6.024 1.00 0.00 H new ATOM 0 HA CYS A 13 1.470 -9.111 3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.535 -6.272 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.018 -6.721 3.181 1.00 0.00 H new ATOM 0 HG CYS A 13 1.148 -5.908 1.231 1.00 0.00 H new ATOM 160 N THR A 14 4.202 -8.864 3.228 1.00 0.00 N ATOM 161 CA THR A 14 5.592 -9.298 3.281 1.00 0.00 C ATOM 162 C THR A 14 6.503 -8.321 2.547 1.00 0.00 C ATOM 163 O THR A 14 6.076 -7.641 1.615 1.00 0.00 O ATOM 164 CB THR A 14 5.766 -10.701 2.670 1.00 0.00 C ATOM 165 OG1 THR A 14 5.397 -10.683 1.287 1.00 0.00 O ATOM 166 CG2 THR A 14 4.920 -11.724 3.413 1.00 0.00 C ATOM 0 H THR A 14 3.881 -8.592 2.299 1.00 0.00 H new ATOM 0 HA THR A 14 5.872 -9.330 4.334 1.00 0.00 H new ATOM 0 HB THR A 14 6.814 -10.985 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.512 -11.579 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.060 -12.707 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.224 -11.757 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.869 -11.442 3.350 1.00 0.00 H new ATOM 174 N GLY A 15 7.760 -8.254 2.975 1.00 0.00 N ATOM 175 CA GLY A 15 8.712 -7.357 2.346 1.00 0.00 C ATOM 176 C GLY A 15 9.163 -7.850 0.987 1.00 0.00 C ATOM 177 O GLY A 15 9.516 -7.055 0.115 1.00 0.00 O ATOM 0 H GLY A 15 8.136 -8.805 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.261 -6.370 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.581 -7.242 2.994 1.00 0.00 H new ATOM 181 N ASP A 16 9.153 -9.166 0.803 1.00 0.00 N ATOM 182 CA ASP A 16 9.567 -9.766 -0.461 1.00 0.00 C ATOM 183 C ASP A 16 8.829 -9.124 -1.633 1.00 0.00 C ATOM 184 O ASP A 16 9.437 -8.770 -2.642 1.00 0.00 O ATOM 185 CB ASP A 16 9.308 -11.273 -0.443 1.00 0.00 C ATOM 186 CG ASP A 16 9.959 -11.985 -1.612 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.192 -11.865 -1.768 1.00 0.00 O ATOM 188 OD2 ASP A 16 9.235 -12.662 -2.373 1.00 0.00 O ATOM 0 H ASP A 16 8.863 -9.838 1.513 1.00 0.00 H new ATOM 0 HA ASP A 16 10.635 -9.591 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.685 -11.693 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.233 -11.455 -0.463 1.00 0.00 H new ATOM 193 N MET A 17 7.515 -8.980 -1.490 1.00 0.00 N ATOM 194 CA MET A 17 6.696 -8.382 -2.538 1.00 0.00 C ATOM 195 C MET A 17 7.325 -7.089 -3.049 1.00 0.00 C ATOM 196 O MET A 17 8.062 -6.418 -2.327 1.00 0.00 O ATOM 197 CB MET A 17 5.285 -8.103 -2.015 1.00 0.00 C ATOM 198 CG MET A 17 4.393 -9.335 -1.987 1.00 0.00 C ATOM 199 SD MET A 17 2.667 -8.934 -1.656 1.00 0.00 S ATOM 200 CE MET A 17 2.115 -10.443 -0.865 1.00 0.00 C ATOM 0 H MET A 17 6.996 -9.269 -0.661 1.00 0.00 H new ATOM 0 HA MET A 17 6.637 -9.089 -3.366 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.354 -7.691 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.819 -7.341 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.465 -9.853 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.755 -10.024 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.070 -10.624 -1.115 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.721 -11.279 -1.213 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.218 -10.346 0.216 1.00 0.00 H new ATOM 210 N THR A 18 7.029 -6.748 -4.299 1.00 0.00 N ATOM 211 CA THR A 18 7.567 -5.537 -4.907 1.00 0.00 C ATOM 212 C THR A 18 6.449 -4.591 -5.330 1.00 0.00 C ATOM 213 O THR A 18 5.384 -5.028 -5.764 1.00 0.00 O ATOM 214 CB THR A 18 8.439 -5.864 -6.135 1.00 0.00 C ATOM 215 OG1 THR A 18 7.723 -6.727 -7.027 1.00 0.00 O ATOM 216 CG2 THR A 18 9.740 -6.529 -5.713 1.00 0.00 C ATOM 0 H THR A 18 6.420 -7.293 -4.910 1.00 0.00 H new ATOM 0 HA THR A 18 8.184 -5.051 -4.151 1.00 0.00 H new ATOM 0 HB THR A 18 8.676 -4.930 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.282 -6.929 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.339 -6.750 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.295 -5.859 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.520 -7.455 -5.183 1.00 0.00 H new ATOM 224 N GLU A 19 6.700 -3.291 -5.200 1.00 0.00 N ATOM 225 CA GLU A 19 5.712 -2.284 -5.569 1.00 0.00 C ATOM 226 C GLU A 19 4.974 -2.686 -6.842 1.00 0.00 C ATOM 227 O GLU A 19 3.760 -2.506 -6.952 1.00 0.00 O ATOM 228 CB GLU A 19 6.388 -0.925 -5.766 1.00 0.00 C ATOM 229 CG GLU A 19 7.323 -0.539 -4.633 1.00 0.00 C ATOM 230 CD GLU A 19 8.737 -0.268 -5.109 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.987 0.840 -5.628 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.594 -1.165 -4.962 1.00 0.00 O ATOM 0 H GLU A 19 7.577 -2.912 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 19 4.987 -2.208 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.950 -0.940 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.620 -0.158 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.935 0.349 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.340 -1.339 -3.893 1.00 0.00 H new ATOM 239 N ASP A 20 5.713 -3.230 -7.802 1.00 0.00 N ATOM 240 CA ASP A 20 5.129 -3.659 -9.067 1.00 0.00 C ATOM 241 C ASP A 20 4.107 -4.769 -8.845 1.00 0.00 C ATOM 242 O ASP A 20 3.008 -4.732 -9.398 1.00 0.00 O ATOM 243 CB ASP A 20 6.224 -4.140 -10.021 1.00 0.00 C ATOM 244 CG ASP A 20 6.090 -3.539 -11.407 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.237 -2.306 -11.534 1.00 0.00 O ATOM 246 OD2 ASP A 20 5.838 -4.302 -12.363 1.00 0.00 O ATOM 0 H ASP A 20 6.719 -3.384 -7.728 1.00 0.00 H new ATOM 0 HA ASP A 20 4.619 -2.805 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.200 -3.882 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.186 -5.227 -10.094 1.00 0.00 H new ATOM 251 N GLU A 21 4.477 -5.754 -8.035 1.00 0.00 N ATOM 252 CA GLU A 21 3.591 -6.876 -7.742 1.00 0.00 C ATOM 253 C GLU A 21 2.213 -6.382 -7.312 1.00 0.00 C ATOM 254 O GLU A 21 1.212 -6.641 -7.983 1.00 0.00 O ATOM 255 CB GLU A 21 4.194 -7.758 -6.646 1.00 0.00 C ATOM 256 CG GLU A 21 5.443 -8.504 -7.083 1.00 0.00 C ATOM 257 CD GLU A 21 5.131 -9.856 -7.694 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.498 -9.890 -8.769 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.521 -10.881 -7.096 1.00 0.00 O ATOM 0 H GLU A 21 5.383 -5.799 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 21 3.479 -7.465 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.435 -7.137 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.445 -8.480 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.988 -7.899 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.099 -8.641 -6.224 1.00 0.00 H new ATOM 266 N LEU A 22 2.168 -5.671 -6.191 1.00 0.00 N ATOM 267 CA LEU A 22 0.913 -5.141 -5.671 1.00 0.00 C ATOM 268 C LEU A 22 0.266 -4.190 -6.673 1.00 0.00 C ATOM 269 O LEU A 22 -0.939 -4.258 -6.919 1.00 0.00 O ATOM 270 CB LEU A 22 1.153 -4.417 -4.345 1.00 0.00 C ATOM 271 CG LEU A 22 1.517 -5.302 -3.152 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.532 -4.604 -2.260 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.270 -5.668 -2.361 1.00 0.00 C ATOM 0 H LEU A 22 2.987 -5.448 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 22 0.235 -5.978 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.953 -3.691 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.254 -3.855 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 22 1.967 -6.221 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.779 -5.249 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.435 -4.393 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.110 -3.669 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.547 -6.298 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.208 -4.760 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.423 -6.209 -3.005 1.00 0.00 H new ATOM 285 N ARG A 23 1.074 -3.308 -7.251 1.00 0.00 N ATOM 286 CA ARG A 23 0.581 -2.344 -8.227 1.00 0.00 C ATOM 287 C ARG A 23 -0.159 -3.050 -9.360 1.00 0.00 C ATOM 288 O ARG A 23 -1.128 -2.521 -9.904 1.00 0.00 O ATOM 289 CB ARG A 23 1.739 -1.522 -8.794 1.00 0.00 C ATOM 290 CG ARG A 23 1.292 -0.325 -9.617 1.00 0.00 C ATOM 291 CD ARG A 23 2.237 0.854 -9.447 1.00 0.00 C ATOM 292 NE ARG A 23 3.021 1.105 -10.653 1.00 0.00 N ATOM 293 CZ ARG A 23 2.526 1.675 -11.745 1.00 0.00 C ATOM 294 NH1 ARG A 23 1.255 2.052 -11.783 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.303 1.870 -12.804 1.00 0.00 N ATOM 0 H ARG A 23 2.074 -3.241 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.115 -1.675 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.363 -1.173 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.361 -2.167 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.243 -0.604 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.286 -0.032 -9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.663 1.746 -9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.909 0.662 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 23 4.002 0.827 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.655 1.904 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.878 2.490 -12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.281 1.582 -12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.922 2.308 -13.643 1.00 0.00 H new ATOM 309 N GLU A 24 0.305 -4.245 -9.710 1.00 0.00 N ATOM 310 CA GLU A 24 -0.312 -5.021 -10.779 1.00 0.00 C ATOM 311 C GLU A 24 -1.452 -5.879 -10.240 1.00 0.00 C ATOM 312 O GLU A 24 -2.292 -6.364 -10.999 1.00 0.00 O ATOM 313 CB GLU A 24 0.730 -5.909 -11.462 1.00 0.00 C ATOM 314 CG GLU A 24 0.132 -6.917 -12.429 1.00 0.00 C ATOM 315 CD GLU A 24 0.938 -7.051 -13.706 1.00 0.00 C ATOM 316 OE1 GLU A 24 1.009 -6.064 -14.468 1.00 0.00 O ATOM 317 OE2 GLU A 24 1.498 -8.142 -13.943 1.00 0.00 O ATOM 0 H GLU A 24 1.106 -4.697 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.720 -4.323 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.437 -5.277 -12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.297 -6.442 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.068 -7.889 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.886 -6.617 -12.677 1.00 0.00 H new ATOM 324 N PHE A 25 -1.477 -6.061 -8.924 1.00 0.00 N ATOM 325 CA PHE A 25 -2.513 -6.862 -8.282 1.00 0.00 C ATOM 326 C PHE A 25 -3.768 -6.030 -8.036 1.00 0.00 C ATOM 327 O PHE A 25 -4.888 -6.533 -8.129 1.00 0.00 O ATOM 328 CB PHE A 25 -2.000 -7.434 -6.960 1.00 0.00 C ATOM 329 CG PHE A 25 -3.043 -8.188 -6.187 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.035 -7.513 -5.494 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.032 -9.574 -6.154 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.997 -8.205 -4.783 1.00 0.00 C ATOM 333 CE2 PHE A 25 -3.992 -10.270 -5.444 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.975 -9.585 -4.757 1.00 0.00 C ATOM 0 H PHE A 25 -0.792 -5.665 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.768 -7.684 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.159 -8.098 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.621 -6.619 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.057 -6.433 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.265 -10.115 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.765 -7.667 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.973 -11.350 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.725 -10.128 -4.201 1.00 0.00 H new ATOM 344 N PHE A 26 -3.573 -4.753 -7.723 1.00 0.00 N ATOM 345 CA PHE A 26 -4.689 -3.851 -7.462 1.00 0.00 C ATOM 346 C PHE A 26 -5.152 -3.174 -8.748 1.00 0.00 C ATOM 347 O PHE A 26 -6.264 -2.650 -8.820 1.00 0.00 O ATOM 348 CB PHE A 26 -4.286 -2.794 -6.431 1.00 0.00 C ATOM 349 CG PHE A 26 -4.175 -3.331 -5.032 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.309 -3.694 -4.324 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.938 -3.474 -4.428 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.210 -4.187 -3.037 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.831 -3.967 -3.141 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.970 -4.326 -2.446 1.00 0.00 C ATOM 0 H PHE A 26 -2.653 -4.320 -7.644 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.516 -4.440 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.329 -2.361 -6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.019 -1.987 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.281 -3.591 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.045 -3.197 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.102 -4.463 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.860 -4.071 -2.680 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.890 -4.715 -1.442 1.00 0.00 H new ATOM 364 N SER A 27 -4.292 -3.187 -9.760 1.00 0.00 N ATOM 365 CA SER A 27 -4.610 -2.570 -11.043 1.00 0.00 C ATOM 366 C SER A 27 -5.879 -3.175 -11.637 1.00 0.00 C ATOM 367 O SER A 27 -6.531 -2.566 -12.484 1.00 0.00 O ATOM 368 CB SER A 27 -3.444 -2.743 -12.019 1.00 0.00 C ATOM 369 OG SER A 27 -2.848 -1.494 -12.327 1.00 0.00 O ATOM 0 H SER A 27 -3.369 -3.618 -9.717 1.00 0.00 H new ATOM 0 HA SER A 27 -4.779 -1.506 -10.875 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.698 -3.409 -11.585 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.799 -3.216 -12.935 1.00 0.00 H new ATOM 0 HG SER A 27 -2.134 -1.304 -11.683 1.00 0.00 H new ATOM 375 N GLN A 28 -6.220 -4.378 -11.184 1.00 0.00 N ATOM 376 CA GLN A 28 -7.410 -5.066 -11.670 1.00 0.00 C ATOM 377 C GLN A 28 -8.659 -4.571 -10.947 1.00 0.00 C ATOM 378 O GLN A 28 -9.778 -4.736 -11.436 1.00 0.00 O ATOM 379 CB GLN A 28 -7.264 -6.577 -11.484 1.00 0.00 C ATOM 380 CG GLN A 28 -7.506 -7.041 -10.057 1.00 0.00 C ATOM 381 CD GLN A 28 -7.427 -8.547 -9.911 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.068 -9.289 -10.656 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.638 -9.008 -8.948 1.00 0.00 N ATOM 0 H GLN A 28 -5.690 -4.895 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.516 -4.847 -12.732 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.965 -7.085 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.262 -6.877 -11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.771 -6.577 -9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.488 -6.699 -9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.125 -8.357 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.545 -10.013 -8.803 1.00 0.00 H new ATOM 392 N TYR A 29 -8.461 -3.966 -9.782 1.00 0.00 N ATOM 393 CA TYR A 29 -9.572 -3.451 -8.989 1.00 0.00 C ATOM 394 C TYR A 29 -9.923 -2.027 -9.407 1.00 0.00 C ATOM 395 O TYR A 29 -11.072 -1.727 -9.730 1.00 0.00 O ATOM 396 CB TYR A 29 -9.223 -3.487 -7.501 1.00 0.00 C ATOM 397 CG TYR A 29 -9.213 -4.880 -6.915 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.136 -5.734 -7.122 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.279 -5.344 -6.154 1.00 0.00 C ATOM 400 CE1 TYR A 29 -8.122 -7.008 -6.589 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.272 -6.616 -5.616 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.192 -7.445 -5.836 1.00 0.00 C ATOM 403 OH TYR A 29 -9.183 -8.713 -5.303 1.00 0.00 O ATOM 0 H TYR A 29 -7.542 -3.820 -9.365 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.439 -4.087 -9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.243 -3.034 -7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.941 -2.877 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.296 -5.395 -7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.128 -4.699 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.278 -7.659 -6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.108 -6.960 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.259 -8.985 -5.121 1.00 0.00 H new ATOM 413 N GLY A 30 -8.923 -1.150 -9.398 1.00 0.00 N ATOM 414 CA GLY A 30 -9.145 0.233 -9.778 1.00 0.00 C ATOM 415 C GLY A 30 -7.885 0.904 -10.287 1.00 0.00 C ATOM 416 O GLY A 30 -6.849 0.258 -10.442 1.00 0.00 O ATOM 0 H GLY A 30 -7.963 -1.373 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.913 0.275 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.526 0.786 -8.919 1.00 0.00 H new ATOM 420 N ASP A 31 -7.973 2.203 -10.551 1.00 0.00 N ATOM 421 CA ASP A 31 -6.832 2.962 -11.046 1.00 0.00 C ATOM 422 C ASP A 31 -5.864 3.291 -9.913 1.00 0.00 C ATOM 423 O ASP A 31 -5.835 4.417 -9.416 1.00 0.00 O ATOM 424 CB ASP A 31 -7.303 4.250 -11.722 1.00 0.00 C ATOM 425 CG ASP A 31 -7.053 4.246 -13.217 1.00 0.00 C ATOM 426 OD1 ASP A 31 -7.500 3.294 -13.891 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.410 5.194 -13.714 1.00 0.00 O ATOM 0 H ASP A 31 -8.824 2.752 -10.430 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.309 2.347 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.368 4.386 -11.535 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.790 5.101 -11.273 1.00 0.00 H new ATOM 432 N VAL A 32 -5.075 2.301 -9.509 1.00 0.00 N ATOM 433 CA VAL A 32 -4.107 2.485 -8.434 1.00 0.00 C ATOM 434 C VAL A 32 -3.065 3.534 -8.808 1.00 0.00 C ATOM 435 O VAL A 32 -2.116 3.249 -9.537 1.00 0.00 O ATOM 436 CB VAL A 32 -3.391 1.166 -8.092 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.720 0.585 -9.328 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.378 1.383 -6.978 1.00 0.00 C ATOM 0 H VAL A 32 -5.087 1.363 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.664 2.824 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.135 0.450 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.219 -0.347 -9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.472 0.390 -10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.987 1.295 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.881 0.440 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.637 2.115 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.889 1.749 -6.088 1.00 0.00 H new ATOM 448 N MET A 33 -3.249 4.749 -8.301 1.00 0.00 N ATOM 449 CA MET A 33 -2.323 5.840 -8.580 1.00 0.00 C ATOM 450 C MET A 33 -0.879 5.348 -8.558 1.00 0.00 C ATOM 451 O MET A 33 -0.165 5.444 -9.556 1.00 0.00 O ATOM 452 CB MET A 33 -2.506 6.966 -7.560 1.00 0.00 C ATOM 453 CG MET A 33 -3.407 8.089 -8.049 1.00 0.00 C ATOM 454 SD MET A 33 -2.500 9.378 -8.923 1.00 0.00 S ATOM 455 CE MET A 33 -3.476 10.820 -8.505 1.00 0.00 C ATOM 0 H MET A 33 -4.030 5.002 -7.696 1.00 0.00 H new ATOM 0 HA MET A 33 -2.542 6.223 -9.577 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.923 6.550 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.529 7.379 -7.308 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.170 7.676 -8.709 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.926 8.529 -7.198 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.040 11.703 -8.973 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.496 10.685 -8.864 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.486 10.951 -7.423 1.00 0.00 H new ATOM 465 N ASP A 34 -0.456 4.822 -7.414 1.00 0.00 N ATOM 466 CA ASP A 34 0.902 4.313 -7.263 1.00 0.00 C ATOM 467 C ASP A 34 1.034 3.487 -5.986 1.00 0.00 C ATOM 468 O ASP A 34 0.158 3.517 -5.122 1.00 0.00 O ATOM 469 CB ASP A 34 1.903 5.469 -7.244 1.00 0.00 C ATOM 470 CG ASP A 34 3.047 5.262 -8.217 1.00 0.00 C ATOM 471 OD1 ASP A 34 2.875 5.584 -9.412 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.114 4.779 -7.784 1.00 0.00 O ATOM 0 H ASP A 34 -1.034 4.737 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 34 1.119 3.669 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.386 6.397 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.303 5.582 -6.236 1.00 0.00 H new ATOM 477 N VAL A 35 2.135 2.751 -5.876 1.00 0.00 N ATOM 478 CA VAL A 35 2.383 1.918 -4.705 1.00 0.00 C ATOM 479 C VAL A 35 3.760 2.198 -4.112 1.00 0.00 C ATOM 480 O VAL A 35 4.767 2.175 -4.819 1.00 0.00 O ATOM 481 CB VAL A 35 2.279 0.420 -5.049 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.348 -0.425 -3.787 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.998 0.140 -5.820 1.00 0.00 C ATOM 0 H VAL A 35 2.869 2.714 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 35 1.617 2.169 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 35 3.124 0.151 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.273 -1.480 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.296 -0.244 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.525 -0.157 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.940 -0.923 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.138 0.425 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.996 0.717 -6.745 1.00 0.00 H new ATOM 493 N PHE A 36 3.795 2.461 -2.810 1.00 0.00 N ATOM 494 CA PHE A 36 5.049 2.745 -2.121 1.00 0.00 C ATOM 495 C PHE A 36 5.151 1.945 -0.826 1.00 0.00 C ATOM 496 O PHE A 36 4.146 1.469 -0.296 1.00 0.00 O ATOM 497 CB PHE A 36 5.162 4.241 -1.820 1.00 0.00 C ATOM 498 CG PHE A 36 6.261 4.577 -0.853 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.589 4.370 -1.195 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.967 5.098 0.395 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.602 4.678 -0.307 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.977 5.409 1.288 1.00 0.00 C ATOM 503 CZ PHE A 36 8.296 5.198 0.936 1.00 0.00 C ATOM 0 H PHE A 36 2.970 2.483 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 36 5.869 2.450 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.332 4.779 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.213 4.595 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.834 3.964 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.937 5.264 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.633 4.512 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.735 5.816 2.259 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.087 5.439 1.631 1.00 0.00 H new ATOM 513 N ILE A 37 6.372 1.800 -0.322 1.00 0.00 N ATOM 514 CA ILE A 37 6.606 1.060 0.911 1.00 0.00 C ATOM 515 C ILE A 37 7.418 1.885 1.903 1.00 0.00 C ATOM 516 O ILE A 37 8.647 1.935 1.848 1.00 0.00 O ATOM 517 CB ILE A 37 7.342 -0.267 0.640 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.530 -1.138 -0.319 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.601 -1.004 1.945 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.340 -2.237 -0.971 1.00 0.00 C ATOM 0 H ILE A 37 7.214 2.185 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 37 5.627 0.843 1.339 1.00 0.00 H new ATOM 0 HB ILE A 37 8.302 -0.045 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.698 -1.585 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.100 -0.505 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.121 -1.939 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.216 -0.384 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.652 -1.218 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.700 -2.814 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.156 -1.797 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.748 -2.893 -0.202 1.00 0.00 H new ATOM 532 N PRO A 38 6.716 2.548 2.835 1.00 0.00 N ATOM 533 CA PRO A 38 7.352 3.381 3.860 1.00 0.00 C ATOM 534 C PRO A 38 8.121 2.555 4.885 1.00 0.00 C ATOM 535 O PRO A 38 7.794 1.394 5.135 1.00 0.00 O ATOM 536 CB PRO A 38 6.169 4.091 4.523 1.00 0.00 C ATOM 537 CG PRO A 38 5.008 3.188 4.293 1.00 0.00 C ATOM 538 CD PRO A 38 5.250 2.533 2.962 1.00 0.00 C ATOM 0 HA PRO A 38 8.090 4.060 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.346 4.245 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.000 5.074 4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.929 2.444 5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.073 3.748 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.855 1.517 2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.771 3.082 2.151 1.00 0.00 H new ATOM 546 N LYS A 39 9.145 3.159 5.478 1.00 0.00 N ATOM 547 CA LYS A 39 9.961 2.481 6.478 1.00 0.00 C ATOM 548 C LYS A 39 9.887 3.202 7.821 1.00 0.00 C ATOM 549 O LYS A 39 9.655 4.409 7.892 1.00 0.00 O ATOM 550 CB LYS A 39 11.415 2.398 6.010 1.00 0.00 C ATOM 551 CG LYS A 39 11.608 1.534 4.776 1.00 0.00 C ATOM 552 CD LYS A 39 12.273 0.212 5.119 1.00 0.00 C ATOM 553 CE LYS A 39 13.098 -0.316 3.954 1.00 0.00 C ATOM 554 NZ LYS A 39 14.464 0.275 3.930 1.00 0.00 N ATOM 0 H LYS A 39 9.430 4.119 5.283 1.00 0.00 H new ATOM 0 HA LYS A 39 9.570 1.472 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.778 3.404 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.027 2.001 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.642 1.346 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.216 2.070 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.914 0.341 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.512 -0.520 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.173 -1.401 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.589 -0.092 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.994 -0.110 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.394 1.308 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.960 0.040 4.813 1.00 0.00 H new ATOM 568 N PRO A 40 10.093 2.448 8.910 1.00 0.00 N ATOM 569 CA PRO A 40 10.369 1.010 8.838 1.00 0.00 C ATOM 570 C PRO A 40 9.153 0.208 8.391 1.00 0.00 C ATOM 571 O PRO A 40 8.049 0.397 8.903 1.00 0.00 O ATOM 572 CB PRO A 40 10.750 0.649 10.277 1.00 0.00 C ATOM 573 CG PRO A 40 10.075 1.679 11.116 1.00 0.00 C ATOM 574 CD PRO A 40 10.069 2.941 10.299 1.00 0.00 C ATOM 0 HA PRO A 40 11.144 0.780 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.414 -0.355 10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.831 0.670 10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.060 1.373 11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.606 1.826 12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.182 3.543 10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.934 3.566 10.519 1.00 0.00 H new ATOM 582 N PHE A 41 9.361 -0.690 7.434 1.00 0.00 N ATOM 583 CA PHE A 41 8.280 -1.523 6.918 1.00 0.00 C ATOM 584 C PHE A 41 7.975 -2.672 7.873 1.00 0.00 C ATOM 585 O PHE A 41 8.861 -3.450 8.228 1.00 0.00 O ATOM 586 CB PHE A 41 8.647 -2.074 5.538 1.00 0.00 C ATOM 587 CG PHE A 41 7.842 -3.278 5.141 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.229 -4.548 5.540 1.00 0.00 C ATOM 589 CD2 PHE A 41 6.700 -3.141 4.369 1.00 0.00 C ATOM 590 CE1 PHE A 41 7.490 -5.658 5.176 1.00 0.00 C ATOM 591 CE2 PHE A 41 5.958 -4.248 4.003 1.00 0.00 C ATOM 592 CZ PHE A 41 6.353 -5.507 4.406 1.00 0.00 C ATOM 0 H PHE A 41 10.268 -0.860 7.000 1.00 0.00 H new ATOM 0 HA PHE A 41 7.388 -0.903 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.506 -1.291 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.705 -2.335 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.117 -4.671 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.386 -2.158 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.801 -6.642 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.069 -4.128 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.774 -6.373 4.120 1.00 0.00 H new ATOM 602 N ARG A 42 6.715 -2.772 8.286 1.00 0.00 N ATOM 603 CA ARG A 42 6.293 -3.825 9.202 1.00 0.00 C ATOM 604 C ARG A 42 5.081 -4.570 8.651 1.00 0.00 C ATOM 605 O ARG A 42 3.940 -4.245 8.976 1.00 0.00 O ATOM 606 CB ARG A 42 5.963 -3.235 10.574 1.00 0.00 C ATOM 607 CG ARG A 42 7.114 -2.463 11.198 1.00 0.00 C ATOM 608 CD ARG A 42 7.184 -2.686 12.701 1.00 0.00 C ATOM 609 NE ARG A 42 7.748 -3.991 13.034 1.00 0.00 N ATOM 610 CZ ARG A 42 7.562 -4.596 14.202 1.00 0.00 C ATOM 611 NH1 ARG A 42 6.828 -4.016 15.142 1.00 0.00 N ATOM 612 NH2 ARG A 42 8.108 -5.783 14.430 1.00 0.00 N ATOM 0 H ARG A 42 5.969 -2.137 8.001 1.00 0.00 H new ATOM 0 HA ARG A 42 7.116 -4.532 9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.102 -2.573 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.671 -4.042 11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.053 -2.773 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.994 -1.399 10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.790 -1.902 13.156 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.184 -2.604 13.127 1.00 0.00 H new ATOM 0 HE ARG A 42 8.316 -4.464 12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.405 -3.104 14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.686 -4.482 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.671 -6.232 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.964 -6.247 15.327 1.00 0.00 H new ATOM 626 N ALA A 43 5.338 -5.572 7.815 1.00 0.00 N ATOM 627 CA ALA A 43 4.269 -6.364 7.221 1.00 0.00 C ATOM 628 C ALA A 43 3.104 -5.479 6.791 1.00 0.00 C ATOM 629 O ALA A 43 1.942 -5.878 6.880 1.00 0.00 O ATOM 630 CB ALA A 43 3.793 -7.428 8.199 1.00 0.00 C ATOM 0 H ALA A 43 6.277 -5.854 7.535 1.00 0.00 H new ATOM 0 HA ALA A 43 4.666 -6.855 6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.994 -8.012 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.624 -8.086 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.419 -6.949 9.104 1.00 0.00 H new ATOM 636 N PHE A 44 3.421 -4.275 6.326 1.00 0.00 N ATOM 637 CA PHE A 44 2.400 -3.333 5.885 1.00 0.00 C ATOM 638 C PHE A 44 2.979 -2.332 4.888 1.00 0.00 C ATOM 639 O PHE A 44 4.162 -1.998 4.944 1.00 0.00 O ATOM 640 CB PHE A 44 1.807 -2.591 7.084 1.00 0.00 C ATOM 641 CG PHE A 44 2.573 -1.356 7.463 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.582 -0.248 6.630 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.282 -1.302 8.652 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.285 0.891 6.977 1.00 0.00 C ATOM 645 CE2 PHE A 44 3.986 -0.165 9.003 1.00 0.00 C ATOM 646 CZ PHE A 44 3.989 0.931 8.164 1.00 0.00 C ATOM 0 H PHE A 44 4.377 -3.929 6.245 1.00 0.00 H new ATOM 0 HA PHE A 44 1.610 -3.898 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.777 -2.315 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.775 -3.266 7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.034 -0.275 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.285 -2.157 9.312 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.283 1.748 6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.533 -0.134 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.541 1.819 8.436 1.00 0.00 H new ATOM 656 N ALA A 45 2.136 -1.858 3.977 1.00 0.00 N ATOM 657 CA ALA A 45 2.562 -0.895 2.970 1.00 0.00 C ATOM 658 C ALA A 45 1.487 0.162 2.731 1.00 0.00 C ATOM 659 O ALA A 45 0.334 -0.012 3.126 1.00 0.00 O ATOM 660 CB ALA A 45 2.901 -1.607 1.670 1.00 0.00 C ATOM 0 H ALA A 45 1.154 -2.126 3.916 1.00 0.00 H new ATOM 0 HA ALA A 45 3.455 -0.391 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.218 -0.876 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.707 -2.319 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.021 -2.137 1.305 1.00 0.00 H new ATOM 666 N PHE A 46 1.874 1.256 2.085 1.00 0.00 N ATOM 667 CA PHE A 46 0.944 2.341 1.795 1.00 0.00 C ATOM 668 C PHE A 46 0.662 2.432 0.298 1.00 0.00 C ATOM 669 O PHE A 46 1.547 2.757 -0.494 1.00 0.00 O ATOM 670 CB PHE A 46 1.506 3.671 2.300 1.00 0.00 C ATOM 671 CG PHE A 46 0.556 4.823 2.140 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.455 5.039 3.064 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.672 5.691 1.066 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.331 6.098 2.920 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.201 6.752 0.917 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.204 6.955 1.843 1.00 0.00 C ATOM 0 H PHE A 46 2.825 1.415 1.752 1.00 0.00 H new ATOM 0 HA PHE A 46 0.007 2.130 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.767 3.569 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.428 3.894 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.559 4.371 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.454 5.537 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.113 6.256 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.098 7.422 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.889 7.782 1.726 1.00 0.00 H new ATOM 686 N VAL A 47 -0.578 2.140 -0.084 1.00 0.00 N ATOM 687 CA VAL A 47 -0.978 2.188 -1.485 1.00 0.00 C ATOM 688 C VAL A 47 -1.964 3.323 -1.737 1.00 0.00 C ATOM 689 O VAL A 47 -2.908 3.522 -0.970 1.00 0.00 O ATOM 690 CB VAL A 47 -1.615 0.860 -1.933 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.289 1.020 -3.287 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.570 -0.244 -1.976 1.00 0.00 C ATOM 0 H VAL A 47 -1.323 1.868 0.558 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.073 2.362 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.377 0.580 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.733 0.071 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.068 1.780 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.550 1.324 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.038 -1.176 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.216 0.027 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.139 -0.376 -0.984 1.00 0.00 H new ATOM 702 N THR A 48 -1.741 4.066 -2.816 1.00 0.00 N ATOM 703 CA THR A 48 -2.610 5.182 -3.169 1.00 0.00 C ATOM 704 C THR A 48 -3.540 4.812 -4.319 1.00 0.00 C ATOM 705 O THR A 48 -3.188 4.009 -5.183 1.00 0.00 O ATOM 706 CB THR A 48 -1.793 6.427 -3.564 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.853 6.743 -2.531 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.706 7.618 -3.808 1.00 0.00 C ATOM 0 H THR A 48 -0.965 3.915 -3.461 1.00 0.00 H new ATOM 0 HA THR A 48 -3.204 5.412 -2.285 1.00 0.00 H new ATOM 0 HB THR A 48 -1.257 6.206 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.336 7.534 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.107 8.485 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.401 7.384 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.266 7.840 -2.899 1.00 0.00 H new ATOM 716 N PHE A 49 -4.730 5.404 -4.325 1.00 0.00 N ATOM 717 CA PHE A 49 -5.712 5.136 -5.369 1.00 0.00 C ATOM 718 C PHE A 49 -6.194 6.436 -6.007 1.00 0.00 C ATOM 719 O PHE A 49 -6.418 7.431 -5.320 1.00 0.00 O ATOM 720 CB PHE A 49 -6.901 4.365 -4.795 1.00 0.00 C ATOM 721 CG PHE A 49 -6.686 2.878 -4.747 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.651 2.132 -5.915 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.518 2.228 -3.536 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.453 0.765 -5.875 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.319 0.861 -3.490 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.288 0.129 -4.661 1.00 0.00 C ATOM 0 H PHE A 49 -5.037 6.072 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.233 4.530 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.106 4.727 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.785 4.577 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.780 2.625 -6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.543 2.795 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.427 0.195 -6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.188 0.366 -2.539 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.135 -0.940 -4.627 1.00 0.00 H new ATOM 736 N ALA A 50 -6.351 6.416 -7.328 1.00 0.00 N ATOM 737 CA ALA A 50 -6.809 7.591 -8.059 1.00 0.00 C ATOM 738 C ALA A 50 -8.189 8.031 -7.583 1.00 0.00 C ATOM 739 O ALA A 50 -8.560 9.197 -7.722 1.00 0.00 O ATOM 740 CB ALA A 50 -6.829 7.306 -9.554 1.00 0.00 C ATOM 0 H ALA A 50 -6.168 5.600 -7.912 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.111 8.405 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.173 8.191 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.824 7.047 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.504 6.475 -9.757 1.00 0.00 H new ATOM 746 N ASP A 51 -8.944 7.093 -7.023 1.00 0.00 N ATOM 747 CA ASP A 51 -10.283 7.386 -6.526 1.00 0.00 C ATOM 748 C ASP A 51 -10.426 6.965 -5.067 1.00 0.00 C ATOM 749 O ASP A 51 -10.126 5.827 -4.707 1.00 0.00 O ATOM 750 CB ASP A 51 -11.333 6.673 -7.379 1.00 0.00 C ATOM 751 CG ASP A 51 -12.045 7.615 -8.329 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.354 8.299 -9.114 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.291 7.670 -8.288 1.00 0.00 O ATOM 0 H ASP A 51 -8.652 6.123 -6.902 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.440 8.463 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.854 5.879 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.065 6.198 -6.726 1.00 0.00 H new ATOM 758 N ASP A 52 -10.882 7.892 -4.232 1.00 0.00 N ATOM 759 CA ASP A 52 -11.063 7.618 -2.811 1.00 0.00 C ATOM 760 C ASP A 52 -12.114 6.534 -2.597 1.00 0.00 C ATOM 761 O ASP A 52 -12.062 5.792 -1.616 1.00 0.00 O ATOM 762 CB ASP A 52 -11.470 8.894 -2.072 1.00 0.00 C ATOM 763 CG ASP A 52 -12.974 9.045 -1.962 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.585 8.330 -1.139 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.542 9.878 -2.698 1.00 0.00 O ATOM 0 H ASP A 52 -11.133 8.839 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.114 7.263 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.035 8.886 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.058 9.759 -2.592 1.00 0.00 H new ATOM 770 N GLN A 53 -13.068 6.451 -3.518 1.00 0.00 N ATOM 771 CA GLN A 53 -14.132 5.459 -3.429 1.00 0.00 C ATOM 772 C GLN A 53 -13.586 4.053 -3.654 1.00 0.00 C ATOM 773 O GLN A 53 -14.121 3.076 -3.126 1.00 0.00 O ATOM 774 CB GLN A 53 -15.229 5.762 -4.451 1.00 0.00 C ATOM 775 CG GLN A 53 -15.925 7.094 -4.219 1.00 0.00 C ATOM 776 CD GLN A 53 -17.432 6.995 -4.345 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.961 5.999 -4.837 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.134 8.031 -3.899 1.00 0.00 N ATOM 0 H GLN A 53 -13.126 7.059 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.556 5.508 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.794 5.758 -5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.971 4.964 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.671 7.464 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.552 7.825 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.655 8.837 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.152 8.020 -3.957 1.00 0.00 H new ATOM 787 N ILE A 54 -12.520 3.956 -4.441 1.00 0.00 N ATOM 788 CA ILE A 54 -11.901 2.669 -4.734 1.00 0.00 C ATOM 789 C ILE A 54 -11.113 2.152 -3.536 1.00 0.00 C ATOM 790 O ILE A 54 -10.989 0.944 -3.337 1.00 0.00 O ATOM 791 CB ILE A 54 -10.964 2.761 -5.952 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.748 3.178 -7.198 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.263 1.430 -6.183 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.942 3.097 -8.475 1.00 0.00 C ATOM 0 H ILE A 54 -12.067 4.753 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.709 1.973 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.207 3.519 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.628 2.542 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.105 4.200 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.604 1.511 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.676 1.170 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.006 0.654 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.561 3.407 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.076 3.754 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.607 2.071 -8.629 1.00 0.00 H new ATOM 806 N ALA A 55 -10.583 3.075 -2.741 1.00 0.00 N ATOM 807 CA ALA A 55 -9.809 2.712 -1.560 1.00 0.00 C ATOM 808 C ALA A 55 -10.723 2.317 -0.405 1.00 0.00 C ATOM 809 O ALA A 55 -10.408 1.410 0.364 1.00 0.00 O ATOM 810 CB ALA A 55 -8.903 3.863 -1.149 1.00 0.00 C ATOM 0 H ALA A 55 -10.675 4.079 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.191 1.850 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.331 3.578 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.219 4.097 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.509 4.740 -0.921 1.00 0.00 H new ATOM 816 N GLN A 56 -11.854 3.005 -0.290 1.00 0.00 N ATOM 817 CA GLN A 56 -12.813 2.726 0.774 1.00 0.00 C ATOM 818 C GLN A 56 -13.610 1.461 0.469 1.00 0.00 C ATOM 819 O GLN A 56 -13.735 0.577 1.316 1.00 0.00 O ATOM 820 CB GLN A 56 -13.763 3.910 0.956 1.00 0.00 C ATOM 821 CG GLN A 56 -13.550 4.667 2.257 1.00 0.00 C ATOM 822 CD GLN A 56 -14.592 4.329 3.306 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.481 3.510 3.074 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.488 4.962 4.469 1.00 0.00 N ATOM 0 H GLN A 56 -12.129 3.759 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.258 2.570 1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.637 4.598 0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.791 3.549 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.559 4.438 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.575 5.738 2.058 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.735 5.634 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.161 4.777 5.213 1.00 0.00 H new ATOM 833 N SER A 57 -14.146 1.383 -0.744 1.00 0.00 N ATOM 834 CA SER A 57 -14.935 0.229 -1.158 1.00 0.00 C ATOM 835 C SER A 57 -14.140 -1.062 -0.985 1.00 0.00 C ATOM 836 O SER A 57 -14.702 -2.158 -1.006 1.00 0.00 O ATOM 837 CB SER A 57 -15.371 0.379 -2.617 1.00 0.00 C ATOM 838 OG SER A 57 -16.474 1.262 -2.730 1.00 0.00 O ATOM 0 H SER A 57 -14.048 2.105 -1.458 1.00 0.00 H new ATOM 0 HA SER A 57 -15.820 0.179 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.538 0.754 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.639 -0.597 -3.022 1.00 0.00 H new ATOM 0 HG SER A 57 -16.149 2.172 -2.896 1.00 0.00 H new ATOM 844 N LEU A 58 -12.830 -0.925 -0.813 1.00 0.00 N ATOM 845 CA LEU A 58 -11.956 -2.080 -0.636 1.00 0.00 C ATOM 846 C LEU A 58 -11.724 -2.365 0.844 1.00 0.00 C ATOM 847 O LEU A 58 -11.590 -3.519 1.251 1.00 0.00 O ATOM 848 CB LEU A 58 -10.618 -1.843 -1.337 1.00 0.00 C ATOM 849 CG LEU A 58 -10.466 -2.469 -2.724 1.00 0.00 C ATOM 850 CD1 LEU A 58 -9.176 -2.007 -3.382 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.504 -3.988 -2.629 1.00 0.00 C ATOM 0 H LEU A 58 -12.349 -0.026 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.444 -2.946 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.463 -0.768 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.823 -2.227 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.301 -2.141 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.087 -2.464 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.188 -0.922 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.327 -2.304 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.395 -4.418 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.689 -4.333 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.456 -4.302 -2.201 1.00 0.00 H new ATOM 863 N CYS A 59 -11.679 -1.305 1.645 1.00 0.00 N ATOM 864 CA CYS A 59 -11.465 -1.442 3.081 1.00 0.00 C ATOM 865 C CYS A 59 -12.395 -2.496 3.673 1.00 0.00 C ATOM 866 O CYS A 59 -13.605 -2.467 3.448 1.00 0.00 O ATOM 867 CB CYS A 59 -11.687 -0.099 3.781 1.00 0.00 C ATOM 868 SG CYS A 59 -11.798 -0.214 5.582 1.00 0.00 S ATOM 0 H CYS A 59 -11.788 -0.343 1.324 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.435 -1.762 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.870 0.574 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.604 0.350 3.399 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.984 0.972 6.082 1.00 0.00 H new ATOM 874 N GLY A 60 -11.822 -3.427 4.428 1.00 0.00 N ATOM 875 CA GLY A 60 -12.613 -4.479 5.038 1.00 0.00 C ATOM 876 C GLY A 60 -12.643 -5.742 4.201 1.00 0.00 C ATOM 877 O GLY A 60 -13.077 -6.794 4.670 1.00 0.00 O ATOM 0 H GLY A 60 -10.823 -3.472 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.207 -4.709 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.632 -4.122 5.188 1.00 0.00 H new ATOM 881 N GLU A 61 -12.184 -5.637 2.959 1.00 0.00 N ATOM 882 CA GLU A 61 -12.162 -6.780 2.053 1.00 0.00 C ATOM 883 C GLU A 61 -10.870 -7.575 2.211 1.00 0.00 C ATOM 884 O GLU A 61 -9.781 -7.004 2.281 1.00 0.00 O ATOM 885 CB GLU A 61 -12.314 -6.314 0.604 1.00 0.00 C ATOM 886 CG GLU A 61 -13.660 -5.677 0.306 1.00 0.00 C ATOM 887 CD GLU A 61 -14.740 -6.702 0.018 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.671 -7.354 -1.044 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.655 -6.850 0.855 1.00 0.00 O ATOM 0 H GLU A 61 -11.822 -4.773 2.556 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.000 -7.429 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.525 -5.597 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.171 -7.167 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.963 -5.064 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.560 -5.010 -0.550 1.00 0.00 H new ATOM 896 N ASP A 62 -10.997 -8.896 2.269 1.00 0.00 N ATOM 897 CA ASP A 62 -9.841 -9.770 2.419 1.00 0.00 C ATOM 898 C ASP A 62 -9.400 -10.325 1.067 1.00 0.00 C ATOM 899 O ASP A 62 -10.142 -11.058 0.413 1.00 0.00 O ATOM 900 CB ASP A 62 -10.163 -10.920 3.374 1.00 0.00 C ATOM 901 CG ASP A 62 -11.149 -11.907 2.781 1.00 0.00 C ATOM 902 OD1 ASP A 62 -12.369 -11.679 2.916 1.00 0.00 O ATOM 903 OD2 ASP A 62 -10.701 -12.908 2.184 1.00 0.00 O ATOM 0 H ASP A 62 -11.890 -9.385 2.214 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.024 -9.181 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.242 -11.442 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.571 -10.516 4.300 1.00 0.00 H new ATOM 908 N LEU A 63 -8.188 -9.970 0.654 1.00 0.00 N ATOM 909 CA LEU A 63 -7.649 -10.431 -0.621 1.00 0.00 C ATOM 910 C LEU A 63 -6.449 -11.348 -0.403 1.00 0.00 C ATOM 911 O LEU A 63 -5.757 -11.253 0.610 1.00 0.00 O ATOM 912 CB LEU A 63 -7.242 -9.237 -1.486 1.00 0.00 C ATOM 913 CG LEU A 63 -8.094 -7.977 -1.334 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.405 -6.786 -1.980 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.474 -8.190 -1.940 1.00 0.00 C ATOM 0 H LEU A 63 -7.560 -9.365 1.183 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.427 -10.996 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.208 -8.982 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.268 -9.545 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.214 -7.769 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.026 -5.898 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.440 -6.620 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.254 -6.985 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.067 -7.283 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.374 -8.424 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.971 -9.016 -1.432 1.00 0.00 H new ATOM 927 N ILE A 64 -6.208 -12.235 -1.363 1.00 0.00 N ATOM 928 CA ILE A 64 -5.091 -13.167 -1.279 1.00 0.00 C ATOM 929 C ILE A 64 -4.051 -12.878 -2.357 1.00 0.00 C ATOM 930 O ILE A 64 -4.367 -12.849 -3.546 1.00 0.00 O ATOM 931 CB ILE A 64 -5.563 -14.626 -1.416 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.689 -14.917 -0.420 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.399 -15.583 -1.202 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.224 -14.963 1.019 1.00 0.00 C ATOM 0 H ILE A 64 -6.772 -12.327 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.640 -13.030 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.948 -14.774 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.459 -14.152 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.152 -15.871 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.749 -16.610 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.627 -15.389 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.986 -15.436 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.073 -15.173 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.475 -15.747 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.788 -14.002 1.291 1.00 0.00 H new ATOM 946 N ILE A 65 -2.811 -12.666 -1.932 1.00 0.00 N ATOM 947 CA ILE A 65 -1.724 -12.382 -2.861 1.00 0.00 C ATOM 948 C ILE A 65 -0.602 -13.407 -2.724 1.00 0.00 C ATOM 949 O ILE A 65 0.214 -13.332 -1.807 1.00 0.00 O ATOM 950 CB ILE A 65 -1.145 -10.973 -2.637 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.260 -9.926 -2.696 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.071 -10.670 -3.672 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.911 -8.632 -1.993 1.00 0.00 C ATOM 0 H ILE A 65 -2.533 -12.685 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.145 -12.438 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.688 -10.936 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.492 -9.712 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.162 -10.342 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.328 -9.670 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.733 -11.401 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.504 -10.721 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.746 -7.937 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.708 -8.833 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.027 -8.193 -2.456 1.00 0.00 H new ATOM 965 N LYS A 66 -0.568 -14.364 -3.646 1.00 0.00 N ATOM 966 CA LYS A 66 0.455 -15.402 -3.632 1.00 0.00 C ATOM 967 C LYS A 66 0.152 -16.450 -2.566 1.00 0.00 C ATOM 968 O LYS A 66 0.864 -17.445 -2.439 1.00 0.00 O ATOM 969 CB LYS A 66 1.833 -14.787 -3.381 1.00 0.00 C ATOM 970 CG LYS A 66 1.994 -13.396 -3.968 1.00 0.00 C ATOM 971 CD LYS A 66 3.372 -13.204 -4.577 1.00 0.00 C ATOM 972 CE LYS A 66 3.472 -13.859 -5.947 1.00 0.00 C ATOM 973 NZ LYS A 66 4.578 -14.855 -6.006 1.00 0.00 N ATOM 0 H LYS A 66 -1.237 -14.442 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 66 0.455 -15.890 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.011 -14.742 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.596 -15.441 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.232 -13.231 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.832 -12.651 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.587 -12.139 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.126 -13.628 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.528 -14.350 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.633 -13.093 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.613 -15.279 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.482 -14.382 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.412 -15.600 -5.300 1.00 0.00 H new ATOM 987 N GLY A 67 -0.911 -16.219 -1.801 1.00 0.00 N ATOM 988 CA GLY A 67 -1.290 -17.153 -0.756 1.00 0.00 C ATOM 989 C GLY A 67 -1.526 -16.467 0.575 1.00 0.00 C ATOM 990 O GLY A 67 -2.313 -16.944 1.395 1.00 0.00 O ATOM 0 H GLY A 67 -1.516 -15.402 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.196 -17.681 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.507 -17.903 -0.641 1.00 0.00 H new ATOM 994 N ILE A 68 -0.843 -15.350 0.792 1.00 0.00 N ATOM 995 CA ILE A 68 -0.982 -14.599 2.034 1.00 0.00 C ATOM 996 C ILE A 68 -2.261 -13.767 2.034 1.00 0.00 C ATOM 997 O ILE A 68 -2.703 -13.289 0.989 1.00 0.00 O ATOM 998 CB ILE A 68 0.221 -13.667 2.267 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.297 -12.610 1.164 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.511 -14.472 2.326 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.188 -11.245 1.600 1.00 0.00 C ATOM 0 H ILE A 68 -0.187 -14.944 0.124 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.026 -15.331 2.841 1.00 0.00 H new ATOM 0 HB ILE A 68 0.088 -13.159 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.328 -12.528 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.296 -12.942 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.353 -13.799 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.455 -15.190 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.651 -15.004 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.105 -10.546 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.229 -11.312 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.421 -10.891 2.432 1.00 0.00 H new ATOM 1013 N SER A 69 -2.852 -13.600 3.213 1.00 0.00 N ATOM 1014 CA SER A 69 -4.081 -12.828 3.349 1.00 0.00 C ATOM 1015 C SER A 69 -3.785 -11.418 3.849 1.00 0.00 C ATOM 1016 O SER A 69 -3.236 -11.235 4.935 1.00 0.00 O ATOM 1017 CB SER A 69 -5.045 -13.530 4.308 1.00 0.00 C ATOM 1018 OG SER A 69 -6.392 -13.239 3.980 1.00 0.00 O ATOM 0 H SER A 69 -2.499 -13.989 4.087 1.00 0.00 H new ATOM 0 HA SER A 69 -4.546 -12.755 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.882 -14.607 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.840 -13.214 5.331 1.00 0.00 H new ATOM 0 HG SER A 69 -6.988 -13.701 4.606 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.154 -10.423 3.047 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.929 -9.028 3.409 1.00 0.00 C ATOM 1026 C VAL A 70 -5.240 -8.333 3.759 1.00 0.00 C ATOM 1027 O VAL A 70 -6.267 -8.562 3.118 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.241 -8.257 2.266 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.992 -8.991 1.802 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.206 -8.046 1.109 1.00 0.00 C ATOM 0 H VAL A 70 -4.609 -10.557 2.144 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.277 -9.028 4.282 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.940 -7.279 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.520 -8.431 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.295 -9.085 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.265 -9.984 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.703 -7.500 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.540 -9.013 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.067 -7.474 1.453 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.198 -7.481 4.778 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.383 -6.751 5.214 1.00 0.00 C ATOM 1042 C HIS A 71 -6.285 -5.277 4.827 1.00 0.00 C ATOM 1043 O HIS A 71 -5.455 -4.541 5.360 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.562 -6.883 6.726 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.868 -6.344 7.223 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.020 -7.099 7.286 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.201 -5.116 7.685 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.005 -6.359 7.763 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.533 -5.150 8.013 1.00 0.00 N ATOM 0 H HIS A 71 -4.356 -7.279 5.317 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.250 -7.183 4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.483 -7.934 7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.748 -6.360 7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.541 -4.267 7.778 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.022 -6.686 7.922 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.071 -4.369 8.389 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.137 -4.856 3.899 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.146 -3.472 3.443 1.00 0.00 C ATOM 1059 C ILE A 72 -7.885 -2.574 4.428 1.00 0.00 C ATOM 1060 O ILE A 72 -8.994 -2.888 4.860 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.801 -3.341 2.055 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.304 -4.449 1.124 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.511 -1.971 1.459 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.839 -4.327 0.769 1.00 0.00 C ATOM 0 H ILE A 72 -7.830 -5.453 3.448 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.105 -3.155 3.376 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.880 -3.445 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.475 -5.415 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.894 -4.435 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.981 -1.894 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.911 -1.197 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.434 -1.839 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.556 -5.145 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.665 -3.376 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.239 -4.372 1.678 1.00 0.00 H new ATOM 1076 N SER A 73 -7.264 -1.453 4.780 1.00 0.00 N ATOM 1077 CA SER A 73 -7.861 -0.508 5.716 1.00 0.00 C ATOM 1078 C SER A 73 -7.490 0.926 5.352 1.00 0.00 C ATOM 1079 O SER A 73 -6.410 1.184 4.822 1.00 0.00 O ATOM 1080 CB SER A 73 -7.407 -0.817 7.144 1.00 0.00 C ATOM 1081 OG SER A 73 -8.261 -1.768 7.757 1.00 0.00 O ATOM 0 H SER A 73 -6.346 -1.177 4.431 1.00 0.00 H new ATOM 0 HA SER A 73 -8.944 -0.611 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.385 -1.197 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.398 0.100 7.732 1.00 0.00 H new ATOM 0 HG SER A 73 -8.670 -2.333 7.068 1.00 0.00 H new