USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 542 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 14 THR OG1 : rot 180:sc= 0.178 USER MOD Set 1.2: A 15 CYS SG : rot 180:sc=-0.000805 USER MOD Set 1.3: A 17 SER OG : rot 101:sc= 0.627 USER MOD Set 1.4: A 18 CYS SG : rot 123:sc= 0.247 USER MOD Single : A 13 MET CE :methyl -161:sc= -0.369 (180deg=-0.802) USER MOD Single : A 20 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= 1.29 (180deg=0.434) USER MOD Single : A 24 SER OG : rot -76:sc= 1.21 USER MOD Single : A 25 SER OG : rot 150:sc=-0.00615 USER MOD Single : A 27 THR OG1 : rot 11:sc= 1.04 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.0925 K(o=-0.092,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 35:sc= 0.0658 USER MOD Single : A 36 SER OG : rot 54:sc= 1.25 USER MOD Single : A 41 THR OG1 : rot -46:sc= 0.063 USER MOD Single : A 42 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= 0.984 (180deg=-3.27!) USER MOD Single : A 45 HIS : no HE2:sc= 0.446 K(o=0.45,f=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.24) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 64 SER OG : rot 73:sc= 1.16 USER MOD Single : A 70 SER OG : rot 74:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.110 -2.411 -5.922 1.00 1.11 N ATOM 47 CA VAL A 5 -8.217 -1.284 -6.141 1.00 0.94 C ATOM 48 C VAL A 5 -8.474 -0.257 -5.039 1.00 0.88 C ATOM 49 O VAL A 5 -9.614 0.152 -4.823 1.00 1.25 O ATOM 50 CB VAL A 5 -8.405 -0.693 -7.555 1.00 1.27 C ATOM 51 CG1 VAL A 5 -8.111 -1.754 -8.619 1.00 2.58 C ATOM 52 CG2 VAL A 5 -9.800 -0.111 -7.828 1.00 2.61 C ATOM 0 HA VAL A 5 -7.177 -1.606 -6.090 1.00 0.94 H new ATOM 0 HB VAL A 5 -7.698 0.135 -7.606 1.00 1.27 H new ATOM 0 HG11 VAL A 5 -8.248 -1.323 -9.611 1.00 2.58 H new ATOM 0 HG12 VAL A 5 -7.083 -2.101 -8.513 1.00 2.58 H new ATOM 0 HG13 VAL A 5 -8.793 -2.595 -8.492 1.00 2.58 H new ATOM 0 HG21 VAL A 5 -9.838 0.281 -8.845 1.00 2.61 H new ATOM 0 HG22 VAL A 5 -10.550 -0.894 -7.712 1.00 2.61 H new ATOM 0 HG23 VAL A 5 -10.003 0.694 -7.121 1.00 2.61 H new ATOM 62 N LEU A 6 -7.431 0.139 -4.308 1.00 0.66 N ATOM 63 CA LEU A 6 -7.530 1.094 -3.226 1.00 0.65 C ATOM 64 C LEU A 6 -6.249 1.922 -3.233 1.00 0.58 C ATOM 65 O LEU A 6 -5.177 1.391 -3.523 1.00 0.61 O ATOM 66 CB LEU A 6 -7.717 0.312 -1.920 1.00 0.84 C ATOM 67 CG LEU A 6 -7.678 1.176 -0.656 1.00 1.64 C ATOM 68 CD1 LEU A 6 -8.855 2.156 -0.583 1.00 2.87 C ATOM 69 CD2 LEU A 6 -7.695 0.272 0.582 1.00 2.10 C ATOM 0 H LEU A 6 -6.483 -0.206 -4.461 1.00 0.66 H new ATOM 0 HA LEU A 6 -8.378 1.770 -3.333 1.00 0.65 H new ATOM 0 HB2 LEU A 6 -8.672 -0.212 -1.958 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -6.939 -0.448 -1.851 1.00 0.84 H new ATOM 0 HG LEU A 6 -6.760 1.763 -0.690 1.00 1.64 H new ATOM 0 HD11 LEU A 6 -8.782 2.745 0.331 1.00 2.87 H new ATOM 0 HD12 LEU A 6 -8.829 2.821 -1.446 1.00 2.87 H new ATOM 0 HD13 LEU A 6 -9.792 1.600 -0.582 1.00 2.87 H new ATOM 0 HD21 LEU A 6 -7.667 0.887 1.482 1.00 2.10 H new ATOM 0 HD22 LEU A 6 -8.604 -0.329 0.581 1.00 2.10 H new ATOM 0 HD23 LEU A 6 -6.826 -0.385 0.565 1.00 2.10 H new ATOM 81 N GLU A 7 -6.367 3.212 -2.916 1.00 0.60 N ATOM 82 CA GLU A 7 -5.245 4.122 -2.797 1.00 0.60 C ATOM 83 C GLU A 7 -5.176 4.619 -1.359 1.00 0.59 C ATOM 84 O GLU A 7 -6.158 5.156 -0.844 1.00 0.91 O ATOM 85 CB GLU A 7 -5.381 5.278 -3.791 1.00 0.71 C ATOM 86 CG GLU A 7 -5.471 4.745 -5.227 1.00 0.80 C ATOM 87 CD GLU A 7 -4.876 5.733 -6.212 1.00 1.36 C ATOM 88 OE1 GLU A 7 -5.205 6.936 -6.134 1.00 2.08 O ATOM 89 OE2 GLU A 7 -3.992 5.326 -7.002 1.00 2.75 O ATOM 0 H GLU A 7 -7.267 3.655 -2.732 1.00 0.60 H new ATOM 0 HA GLU A 7 -4.316 3.606 -3.039 1.00 0.60 H new ATOM 0 HB2 GLU A 7 -6.271 5.863 -3.558 1.00 0.71 H new ATOM 0 HB3 GLU A 7 -4.526 5.947 -3.698 1.00 0.71 H new ATOM 0 HG2 GLU A 7 -4.945 3.793 -5.299 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -6.513 4.554 -5.483 1.00 0.80 H new ATOM 96 N LEU A 8 -4.024 4.422 -0.719 1.00 0.42 N ATOM 97 CA LEU A 8 -3.748 4.873 0.635 1.00 0.46 C ATOM 98 C LEU A 8 -2.477 5.715 0.575 1.00 0.45 C ATOM 99 O LEU A 8 -1.513 5.347 -0.097 1.00 0.46 O ATOM 100 CB LEU A 8 -3.644 3.691 1.623 1.00 0.57 C ATOM 101 CG LEU A 8 -2.987 2.434 1.024 1.00 0.69 C ATOM 102 CD1 LEU A 8 -2.257 1.652 2.114 1.00 0.92 C ATOM 103 CD2 LEU A 8 -4.029 1.495 0.393 1.00 1.43 C ATOM 0 H LEU A 8 -3.238 3.930 -1.144 1.00 0.42 H new ATOM 0 HA LEU A 8 -4.569 5.479 1.018 1.00 0.46 H new ATOM 0 HB2 LEU A 8 -3.072 4.008 2.495 1.00 0.57 H new ATOM 0 HB3 LEU A 8 -4.644 3.434 1.974 1.00 0.57 H new ATOM 0 HG LEU A 8 -2.292 2.774 0.256 1.00 0.69 H new ATOM 0 HD11 LEU A 8 -1.796 0.765 1.679 1.00 0.92 H new ATOM 0 HD12 LEU A 8 -1.486 2.281 2.558 1.00 0.92 H new ATOM 0 HD13 LEU A 8 -2.968 1.351 2.884 1.00 0.92 H new ATOM 0 HD21 LEU A 8 -3.527 0.619 -0.019 1.00 1.43 H new ATOM 0 HD22 LEU A 8 -4.743 1.180 1.154 1.00 1.43 H new ATOM 0 HD23 LEU A 8 -4.556 2.020 -0.404 1.00 1.43 H new ATOM 115 N VAL A 9 -2.500 6.876 1.230 1.00 0.50 N ATOM 116 CA VAL A 9 -1.389 7.809 1.243 1.00 0.56 C ATOM 117 C VAL A 9 -0.422 7.334 2.321 1.00 0.57 C ATOM 118 O VAL A 9 -0.702 7.434 3.516 1.00 0.66 O ATOM 119 CB VAL A 9 -1.869 9.258 1.426 1.00 0.72 C ATOM 120 CG1 VAL A 9 -0.702 10.232 1.237 1.00 1.08 C ATOM 121 CG2 VAL A 9 -2.931 9.609 0.378 1.00 1.03 C ATOM 0 H VAL A 9 -3.304 7.193 1.771 1.00 0.50 H new ATOM 0 HA VAL A 9 -0.869 7.823 0.285 1.00 0.56 H new ATOM 0 HB VAL A 9 -2.283 9.342 2.431 1.00 0.72 H new ATOM 0 HG11 VAL A 9 -1.056 11.254 1.369 1.00 1.08 H new ATOM 0 HG12 VAL A 9 0.073 10.018 1.973 1.00 1.08 H new ATOM 0 HG13 VAL A 9 -0.291 10.117 0.234 1.00 1.08 H new ATOM 0 HG21 VAL A 9 -3.259 10.638 0.523 1.00 1.03 H new ATOM 0 HG22 VAL A 9 -2.507 9.500 -0.620 1.00 1.03 H new ATOM 0 HG23 VAL A 9 -3.783 8.938 0.485 1.00 1.03 H new ATOM 131 N VAL A 10 0.695 6.759 1.893 1.00 0.61 N ATOM 132 CA VAL A 10 1.687 6.151 2.749 1.00 0.59 C ATOM 133 C VAL A 10 2.600 7.255 3.274 1.00 0.54 C ATOM 134 O VAL A 10 3.696 7.494 2.767 1.00 0.59 O ATOM 135 CB VAL A 10 2.407 5.025 1.988 1.00 0.61 C ATOM 136 CG1 VAL A 10 1.528 3.769 1.987 1.00 0.74 C ATOM 137 CG2 VAL A 10 2.733 5.385 0.533 1.00 0.78 C ATOM 0 H VAL A 10 0.937 6.705 0.904 1.00 0.61 H new ATOM 0 HA VAL A 10 1.242 5.668 3.619 1.00 0.59 H new ATOM 0 HB VAL A 10 3.351 4.857 2.506 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.036 2.970 1.448 1.00 0.74 H new ATOM 0 HG12 VAL A 10 1.343 3.454 3.014 1.00 0.74 H new ATOM 0 HG13 VAL A 10 0.579 3.989 1.498 1.00 0.74 H new ATOM 0 HG21 VAL A 10 3.240 4.546 0.056 1.00 0.78 H new ATOM 0 HG22 VAL A 10 1.810 5.604 -0.003 1.00 0.78 H new ATOM 0 HG23 VAL A 10 3.381 6.261 0.511 1.00 0.78 H new ATOM 147 N ARG A 11 2.137 7.934 4.321 1.00 0.55 N ATOM 148 CA ARG A 11 2.868 9.052 4.893 1.00 0.55 C ATOM 149 C ARG A 11 4.023 8.481 5.718 1.00 0.57 C ATOM 150 O ARG A 11 3.883 7.422 6.327 1.00 0.79 O ATOM 151 CB ARG A 11 1.919 9.886 5.763 1.00 0.79 C ATOM 152 CG ARG A 11 0.975 10.754 4.920 1.00 1.42 C ATOM 153 CD ARG A 11 -0.194 11.344 5.727 1.00 1.69 C ATOM 154 NE ARG A 11 0.211 11.753 7.083 1.00 2.24 N ATOM 155 CZ ARG A 11 0.098 11.011 8.201 1.00 3.13 C ATOM 156 NH1 ARG A 11 -0.594 9.870 8.226 1.00 3.70 N ATOM 157 NH2 ARG A 11 0.716 11.394 9.320 1.00 4.33 N ATOM 0 H ARG A 11 1.255 7.725 4.789 1.00 0.55 H new ATOM 0 HA ARG A 11 3.268 9.704 4.117 1.00 0.55 H new ATOM 0 HB2 ARG A 11 1.331 9.222 6.397 1.00 0.79 H new ATOM 0 HB3 ARG A 11 2.503 10.525 6.426 1.00 0.79 H new ATOM 0 HG2 ARG A 11 1.545 11.568 4.471 1.00 1.42 H new ATOM 0 HG3 ARG A 11 0.576 10.155 4.101 1.00 1.42 H new ATOM 0 HD2 ARG A 11 -0.600 12.205 5.197 1.00 1.69 H new ATOM 0 HD3 ARG A 11 -0.993 10.606 5.796 1.00 1.69 H new ATOM 0 HE ARG A 11 0.614 12.684 7.184 1.00 2.24 H new ATOM 0 HH11 ARG A 11 -1.057 9.536 7.381 1.00 3.70 H new ATOM 0 HH12 ARG A 11 -0.659 9.332 9.090 1.00 3.70 H new ATOM 0 HH21 ARG A 11 1.273 12.248 9.328 1.00 4.33 H new ATOM 0 HH22 ARG A 11 0.631 10.833 10.167 1.00 4.33 H new ATOM 171 N GLY A 12 5.176 9.152 5.694 1.00 0.60 N ATOM 172 CA GLY A 12 6.387 8.696 6.365 1.00 0.71 C ATOM 173 C GLY A 12 7.512 8.436 5.366 1.00 0.73 C ATOM 174 O GLY A 12 8.679 8.623 5.702 1.00 0.99 O ATOM 0 H GLY A 12 5.293 10.037 5.201 1.00 0.60 H new ATOM 0 HA2 GLY A 12 6.707 9.445 7.090 1.00 0.71 H new ATOM 0 HA3 GLY A 12 6.175 7.783 6.922 1.00 0.71 H new ATOM 178 N MET A 13 7.183 8.008 4.140 1.00 0.61 N ATOM 179 CA MET A 13 8.179 7.846 3.099 1.00 0.71 C ATOM 180 C MET A 13 8.867 9.178 2.794 1.00 1.15 C ATOM 181 O MET A 13 8.311 10.245 3.050 1.00 1.85 O ATOM 182 CB MET A 13 7.502 7.280 1.849 1.00 1.05 C ATOM 183 CG MET A 13 6.595 8.326 1.185 1.00 1.87 C ATOM 184 SD MET A 13 5.510 7.707 -0.117 1.00 1.79 S ATOM 185 CE MET A 13 6.728 6.848 -1.117 1.00 1.33 C ATOM 0 H MET A 13 6.233 7.771 3.855 1.00 0.61 H new ATOM 0 HA MET A 13 8.949 7.152 3.437 1.00 0.71 H new ATOM 0 HB2 MET A 13 8.261 6.950 1.139 1.00 1.05 H new ATOM 0 HB3 MET A 13 6.913 6.403 2.117 1.00 1.05 H new ATOM 0 HG2 MET A 13 5.979 8.788 1.957 1.00 1.87 H new ATOM 0 HG3 MET A 13 7.224 9.112 0.766 1.00 1.87 H new ATOM 0 HE1 MET A 13 6.330 6.690 -2.119 1.00 1.33 H new ATOM 0 HE2 MET A 13 7.637 7.447 -1.177 1.00 1.33 H new ATOM 0 HE3 MET A 13 6.958 5.884 -0.662 1.00 1.33 H new ATOM 195 N THR A 14 10.054 9.103 2.195 1.00 0.89 N ATOM 196 CA THR A 14 10.819 10.263 1.771 1.00 1.22 C ATOM 197 C THR A 14 11.378 10.006 0.372 1.00 0.82 C ATOM 198 O THR A 14 11.011 10.690 -0.581 1.00 1.08 O ATOM 199 CB THR A 14 11.940 10.534 2.785 1.00 1.86 C ATOM 200 OG1 THR A 14 12.667 9.346 3.029 1.00 3.64 O ATOM 201 CG2 THR A 14 11.389 11.057 4.116 1.00 2.16 C ATOM 0 H THR A 14 10.515 8.217 1.989 1.00 0.89 H new ATOM 0 HA THR A 14 10.182 11.147 1.730 1.00 1.22 H new ATOM 0 HB THR A 14 12.590 11.296 2.355 1.00 1.86 H new ATOM 0 HG1 THR A 14 13.381 9.526 3.675 1.00 3.64 H new ATOM 0 HG21 THR A 14 12.214 11.236 4.806 1.00 2.16 H new ATOM 0 HG22 THR A 14 10.849 11.989 3.946 1.00 2.16 H new ATOM 0 HG23 THR A 14 10.711 10.319 4.545 1.00 2.16 H new ATOM 209 N CYS A 15 12.280 9.028 0.272 1.00 1.06 N ATOM 210 CA CYS A 15 13.131 8.805 -0.890 1.00 0.90 C ATOM 211 C CYS A 15 12.893 7.425 -1.505 1.00 0.82 C ATOM 212 O CYS A 15 12.187 6.587 -0.943 1.00 0.77 O ATOM 213 CB CYS A 15 14.586 8.978 -0.441 1.00 0.95 C ATOM 214 SG CYS A 15 15.154 7.726 0.738 1.00 1.24 S ATOM 0 H CYS A 15 12.440 8.353 1.019 1.00 1.06 H new ATOM 0 HA CYS A 15 12.893 9.527 -1.671 1.00 0.90 H new ATOM 0 HB2 CYS A 15 15.231 8.953 -1.319 1.00 0.95 H new ATOM 0 HB3 CYS A 15 14.700 9.964 0.010 1.00 0.95 H new ATOM 0 HG CYS A 15 16.394 7.958 1.053 1.00 1.24 H new ATOM 219 N ALA A 16 13.520 7.184 -2.663 1.00 0.83 N ATOM 220 CA ALA A 16 13.454 5.927 -3.405 1.00 0.82 C ATOM 221 C ALA A 16 13.624 4.710 -2.491 1.00 0.76 C ATOM 222 O ALA A 16 12.914 3.715 -2.639 1.00 0.77 O ATOM 223 CB ALA A 16 14.522 5.928 -4.501 1.00 0.89 C ATOM 0 H ALA A 16 14.105 7.883 -3.121 1.00 0.83 H new ATOM 0 HA ALA A 16 12.464 5.850 -3.855 1.00 0.82 H new ATOM 0 HB1 ALA A 16 14.475 4.991 -5.056 1.00 0.89 H new ATOM 0 HB2 ALA A 16 14.345 6.762 -5.181 1.00 0.89 H new ATOM 0 HB3 ALA A 16 15.508 6.032 -4.048 1.00 0.89 H new ATOM 229 N SER A 17 14.554 4.808 -1.537 1.00 0.75 N ATOM 230 CA SER A 17 14.791 3.803 -0.519 1.00 0.77 C ATOM 231 C SER A 17 13.488 3.376 0.154 1.00 0.75 C ATOM 232 O SER A 17 13.235 2.186 0.311 1.00 0.81 O ATOM 233 CB SER A 17 15.793 4.353 0.498 1.00 0.88 C ATOM 234 OG SER A 17 16.807 5.063 -0.192 1.00 1.90 O ATOM 0 H SER A 17 15.175 5.613 -1.457 1.00 0.75 H new ATOM 0 HA SER A 17 15.209 2.910 -0.985 1.00 0.77 H new ATOM 0 HB2 SER A 17 15.288 5.010 1.206 1.00 0.88 H new ATOM 0 HB3 SER A 17 16.230 3.538 1.075 1.00 0.88 H new ATOM 0 HG SER A 17 16.632 6.025 -0.130 1.00 1.90 H new ATOM 240 N CYS A 18 12.654 4.344 0.545 1.00 0.73 N ATOM 241 CA CYS A 18 11.355 4.068 1.131 1.00 0.75 C ATOM 242 C CYS A 18 10.422 3.471 0.082 1.00 0.75 C ATOM 243 O CYS A 18 9.765 2.466 0.344 1.00 0.79 O ATOM 244 CB CYS A 18 10.762 5.351 1.721 1.00 0.80 C ATOM 245 SG CYS A 18 11.783 6.159 2.984 1.00 0.92 S ATOM 0 H CYS A 18 12.867 5.338 0.461 1.00 0.73 H new ATOM 0 HA CYS A 18 11.473 3.343 1.936 1.00 0.75 H new ATOM 0 HB2 CYS A 18 10.587 6.058 0.910 1.00 0.80 H new ATOM 0 HB3 CYS A 18 9.790 5.117 2.156 1.00 0.80 H new ATOM 0 HG CYS A 18 12.038 7.381 2.620 1.00 0.92 H new ATOM 250 N VAL A 19 10.358 4.091 -1.102 1.00 0.76 N ATOM 251 CA VAL A 19 9.424 3.715 -2.161 1.00 0.81 C ATOM 252 C VAL A 19 9.526 2.213 -2.394 1.00 0.77 C ATOM 253 O VAL A 19 8.553 1.467 -2.252 1.00 0.78 O ATOM 254 CB VAL A 19 9.733 4.492 -3.459 1.00 0.86 C ATOM 255 CG1 VAL A 19 8.766 4.159 -4.598 1.00 1.02 C ATOM 256 CG2 VAL A 19 9.669 5.999 -3.235 1.00 0.93 C ATOM 0 H VAL A 19 10.961 4.875 -1.351 1.00 0.76 H new ATOM 0 HA VAL A 19 8.408 3.968 -1.859 1.00 0.81 H new ATOM 0 HB VAL A 19 10.740 4.184 -3.740 1.00 0.86 H new ATOM 0 HG11 VAL A 19 9.034 4.736 -5.483 1.00 1.02 H new ATOM 0 HG12 VAL A 19 8.826 3.095 -4.827 1.00 1.02 H new ATOM 0 HG13 VAL A 19 7.749 4.409 -4.296 1.00 1.02 H new ATOM 0 HG21 VAL A 19 9.892 6.515 -4.169 1.00 0.93 H new ATOM 0 HG22 VAL A 19 8.670 6.275 -2.897 1.00 0.93 H new ATOM 0 HG23 VAL A 19 10.400 6.286 -2.479 1.00 0.93 H new ATOM 266 N HIS A 20 10.733 1.764 -2.737 1.00 0.75 N ATOM 267 CA HIS A 20 10.931 0.386 -3.094 1.00 0.77 C ATOM 268 C HIS A 20 10.707 -0.547 -1.898 1.00 0.71 C ATOM 269 O HIS A 20 10.249 -1.671 -2.096 1.00 0.76 O ATOM 270 CB HIS A 20 12.237 0.237 -3.877 1.00 0.82 C ATOM 271 CG HIS A 20 13.546 0.626 -3.234 1.00 0.84 C ATOM 272 ND1 HIS A 20 14.636 1.106 -3.924 1.00 0.98 N ATOM 273 CD2 HIS A 20 13.971 0.330 -1.968 1.00 0.78 C ATOM 274 CE1 HIS A 20 15.690 1.095 -3.091 1.00 1.00 C ATOM 275 NE2 HIS A 20 15.336 0.615 -1.889 1.00 0.88 N ATOM 0 H HIS A 20 11.574 2.340 -2.771 1.00 0.75 H new ATOM 0 HA HIS A 20 10.164 0.045 -3.790 1.00 0.77 H new ATOM 0 HB2 HIS A 20 12.319 -0.808 -4.176 1.00 0.82 H new ATOM 0 HB3 HIS A 20 12.137 0.823 -4.791 1.00 0.82 H new ATOM 0 HD2 HIS A 20 13.357 -0.057 -1.168 1.00 0.78 H new ATOM 0 HE1 HIS A 20 16.684 1.426 -3.352 1.00 1.00 H new ATOM 0 HE2 HIS A 20 15.943 0.484 -1.079 1.00 0.88 H new ATOM 283 N LYS A 21 10.946 -0.080 -0.662 1.00 0.67 N ATOM 284 CA LYS A 21 10.613 -0.793 0.560 1.00 0.70 C ATOM 285 C LYS A 21 9.135 -1.168 0.536 1.00 0.62 C ATOM 286 O LYS A 21 8.788 -2.334 0.723 1.00 0.67 O ATOM 287 CB LYS A 21 10.938 0.108 1.765 1.00 0.83 C ATOM 288 CG LYS A 21 11.427 -0.615 3.014 1.00 1.05 C ATOM 289 CD LYS A 21 10.292 -1.294 3.799 1.00 2.32 C ATOM 290 CE LYS A 21 10.668 -1.485 5.279 1.00 3.13 C ATOM 291 NZ LYS A 21 10.638 -0.223 6.057 1.00 3.82 N ATOM 0 H LYS A 21 11.386 0.824 -0.492 1.00 0.67 H new ATOM 0 HA LYS A 21 11.197 -1.710 0.641 1.00 0.70 H new ATOM 0 HB2 LYS A 21 11.698 0.828 1.463 1.00 0.83 H new ATOM 0 HB3 LYS A 21 10.044 0.677 2.022 1.00 0.83 H new ATOM 0 HG2 LYS A 21 12.163 -1.366 2.727 1.00 1.05 H new ATOM 0 HG3 LYS A 21 11.935 0.097 3.664 1.00 1.05 H new ATOM 0 HD2 LYS A 21 9.387 -0.691 3.727 1.00 2.32 H new ATOM 0 HD3 LYS A 21 10.067 -2.262 3.352 1.00 2.32 H new ATOM 0 HE2 LYS A 21 9.981 -2.200 5.732 1.00 3.13 H new ATOM 0 HE3 LYS A 21 11.666 -1.919 5.341 1.00 3.13 H new ATOM 0 HZ1 LYS A 21 11.347 -0.266 6.817 1.00 3.82 H new ATOM 0 HZ2 LYS A 21 10.852 0.577 5.429 1.00 3.82 H new ATOM 0 HZ3 LYS A 21 9.693 -0.094 6.472 1.00 3.82 H new ATOM 305 N ILE A 22 8.267 -0.178 0.300 1.00 0.55 N ATOM 306 CA ILE A 22 6.833 -0.432 0.230 1.00 0.51 C ATOM 307 C ILE A 22 6.570 -1.394 -0.917 1.00 0.55 C ATOM 308 O ILE A 22 6.043 -2.480 -0.696 1.00 0.58 O ATOM 309 CB ILE A 22 5.998 0.857 0.078 1.00 0.51 C ATOM 310 CG1 ILE A 22 6.557 1.930 1.015 1.00 0.72 C ATOM 311 CG2 ILE A 22 4.520 0.544 0.364 1.00 0.78 C ATOM 312 CD1 ILE A 22 5.620 3.083 1.373 1.00 0.65 C ATOM 0 H ILE A 22 8.534 0.796 0.156 1.00 0.55 H new ATOM 0 HA ILE A 22 6.517 -0.874 1.175 1.00 0.51 H new ATOM 0 HB ILE A 22 6.060 1.240 -0.940 1.00 0.51 H new ATOM 0 HG12 ILE A 22 6.869 1.445 1.940 1.00 0.72 H new ATOM 0 HG13 ILE A 22 7.453 2.349 0.557 1.00 0.72 H new ATOM 0 HG21 ILE A 22 3.928 1.453 0.257 1.00 0.78 H new ATOM 0 HG22 ILE A 22 4.164 -0.206 -0.342 1.00 0.78 H new ATOM 0 HG23 ILE A 22 4.419 0.163 1.380 1.00 0.78 H new ATOM 0 HD11 ILE A 22 6.133 3.775 2.041 1.00 0.65 H new ATOM 0 HD12 ILE A 22 5.325 3.608 0.464 1.00 0.65 H new ATOM 0 HD13 ILE A 22 4.733 2.690 1.869 1.00 0.65 H new ATOM 324 N GLU A 23 6.944 -0.992 -2.133 1.00 0.64 N ATOM 325 CA GLU A 23 6.587 -1.722 -3.339 1.00 0.77 C ATOM 326 C GLU A 23 6.951 -3.204 -3.204 1.00 0.72 C ATOM 327 O GLU A 23 6.068 -4.064 -3.246 1.00 0.78 O ATOM 328 CB GLU A 23 7.220 -1.038 -4.567 1.00 0.96 C ATOM 329 CG GLU A 23 6.160 -0.731 -5.632 1.00 1.27 C ATOM 330 CD GLU A 23 6.650 0.300 -6.641 1.00 1.48 C ATOM 331 OE1 GLU A 23 7.842 0.223 -7.002 1.00 2.18 O ATOM 332 OE2 GLU A 23 5.818 1.161 -7.013 1.00 2.64 O ATOM 0 H GLU A 23 7.500 -0.154 -2.304 1.00 0.64 H new ATOM 0 HA GLU A 23 5.507 -1.696 -3.485 1.00 0.77 H new ATOM 0 HB2 GLU A 23 7.711 -0.114 -4.261 1.00 0.96 H new ATOM 0 HB3 GLU A 23 7.990 -1.683 -4.990 1.00 0.96 H new ATOM 0 HG2 GLU A 23 5.892 -1.650 -6.153 1.00 1.27 H new ATOM 0 HG3 GLU A 23 5.255 -0.364 -5.148 1.00 1.27 H new ATOM 339 N SER A 24 8.236 -3.488 -2.967 1.00 0.69 N ATOM 340 CA SER A 24 8.716 -4.856 -2.833 1.00 0.71 C ATOM 341 C SER A 24 7.938 -5.603 -1.749 1.00 0.71 C ATOM 342 O SER A 24 7.457 -6.714 -1.975 1.00 0.88 O ATOM 343 CB SER A 24 10.225 -4.880 -2.552 1.00 0.71 C ATOM 344 OG SER A 24 10.540 -4.257 -1.321 1.00 2.39 O ATOM 0 H SER A 24 8.962 -2.779 -2.864 1.00 0.69 H new ATOM 0 HA SER A 24 8.545 -5.371 -3.779 1.00 0.71 H new ATOM 0 HB2 SER A 24 10.576 -5.912 -2.537 1.00 0.71 H new ATOM 0 HB3 SER A 24 10.753 -4.375 -3.361 1.00 0.71 H new ATOM 0 HG SER A 24 10.483 -3.284 -1.423 1.00 2.39 H new ATOM 350 N SER A 25 7.832 -4.996 -0.563 1.00 0.61 N ATOM 351 CA SER A 25 7.281 -5.666 0.603 1.00 0.63 C ATOM 352 C SER A 25 5.771 -5.882 0.481 1.00 0.65 C ATOM 353 O SER A 25 5.230 -6.811 1.074 1.00 0.80 O ATOM 354 CB SER A 25 7.664 -4.879 1.849 1.00 0.72 C ATOM 355 OG SER A 25 7.474 -5.669 3.006 1.00 0.98 O ATOM 0 H SER A 25 8.125 -4.034 -0.392 1.00 0.61 H new ATOM 0 HA SER A 25 7.707 -6.666 0.679 1.00 0.63 H new ATOM 0 HB2 SER A 25 8.705 -4.564 1.783 1.00 0.72 H new ATOM 0 HB3 SER A 25 7.061 -3.974 1.915 1.00 0.72 H new ATOM 0 HG SER A 25 8.119 -5.402 3.694 1.00 0.98 H new ATOM 361 N LEU A 26 5.075 -5.046 -0.289 1.00 0.64 N ATOM 362 CA LEU A 26 3.689 -5.308 -0.648 1.00 0.70 C ATOM 363 C LEU A 26 3.625 -6.500 -1.604 1.00 0.72 C ATOM 364 O LEU A 26 2.852 -7.431 -1.368 1.00 0.77 O ATOM 365 CB LEU A 26 3.030 -4.051 -1.239 1.00 0.75 C ATOM 366 CG LEU A 26 2.341 -3.155 -0.192 1.00 0.82 C ATOM 367 CD1 LEU A 26 0.983 -3.725 0.232 1.00 1.60 C ATOM 368 CD2 LEU A 26 3.180 -2.902 1.064 1.00 1.39 C ATOM 0 H LEU A 26 5.453 -4.181 -0.675 1.00 0.64 H new ATOM 0 HA LEU A 26 3.123 -5.564 0.248 1.00 0.70 H new ATOM 0 HB2 LEU A 26 3.788 -3.466 -1.760 1.00 0.75 H new ATOM 0 HB3 LEU A 26 2.294 -4.355 -1.983 1.00 0.75 H new ATOM 0 HG LEU A 26 2.209 -2.199 -0.698 1.00 0.82 H new ATOM 0 HD11 LEU A 26 0.527 -3.066 0.971 1.00 1.60 H new ATOM 0 HD12 LEU A 26 0.332 -3.799 -0.639 1.00 1.60 H new ATOM 0 HD13 LEU A 26 1.123 -4.715 0.666 1.00 1.60 H new ATOM 0 HD21 LEU A 26 2.624 -2.263 1.750 1.00 1.39 H new ATOM 0 HD22 LEU A 26 3.401 -3.852 1.551 1.00 1.39 H new ATOM 0 HD23 LEU A 26 4.112 -2.411 0.786 1.00 1.39 H new ATOM 380 N THR A 27 4.434 -6.502 -2.670 1.00 0.73 N ATOM 381 CA THR A 27 4.435 -7.577 -3.658 1.00 0.81 C ATOM 382 C THR A 27 5.020 -8.877 -3.087 1.00 1.02 C ATOM 383 O THR A 27 6.119 -9.283 -3.457 1.00 1.78 O ATOM 384 CB THR A 27 5.200 -7.118 -4.908 1.00 1.00 C ATOM 385 OG1 THR A 27 6.468 -6.616 -4.546 1.00 1.66 O ATOM 386 CG2 THR A 27 4.439 -6.017 -5.652 1.00 1.48 C ATOM 0 H THR A 27 5.103 -5.758 -2.868 1.00 0.73 H new ATOM 0 HA THR A 27 3.404 -7.798 -3.933 1.00 0.81 H new ATOM 0 HB THR A 27 5.308 -7.984 -5.561 1.00 1.00 H new ATOM 0 HG1 THR A 27 6.646 -6.825 -3.605 1.00 1.66 H new ATOM 0 HG21 THR A 27 5.006 -5.713 -6.532 1.00 1.48 H new ATOM 0 HG22 THR A 27 3.464 -6.394 -5.961 1.00 1.48 H new ATOM 0 HG23 THR A 27 4.304 -5.159 -4.993 1.00 1.48 H new ATOM 394 N LYS A 28 4.267 -9.547 -2.212 1.00 0.99 N ATOM 395 CA LYS A 28 4.618 -10.832 -1.619 1.00 1.12 C ATOM 396 C LYS A 28 3.396 -11.486 -0.974 1.00 0.92 C ATOM 397 O LYS A 28 3.187 -12.686 -1.140 1.00 1.10 O ATOM 398 CB LYS A 28 5.794 -10.703 -0.632 1.00 1.42 C ATOM 399 CG LYS A 28 5.568 -9.675 0.486 1.00 1.72 C ATOM 400 CD LYS A 28 5.212 -10.308 1.840 1.00 2.52 C ATOM 401 CE LYS A 28 4.889 -9.191 2.846 1.00 3.41 C ATOM 402 NZ LYS A 28 4.547 -9.710 4.186 1.00 4.39 N ATOM 0 H LYS A 28 3.366 -9.195 -1.888 1.00 0.99 H new ATOM 0 HA LYS A 28 4.956 -11.489 -2.421 1.00 1.12 H new ATOM 0 HB2 LYS A 28 5.984 -11.677 -0.181 1.00 1.42 H new ATOM 0 HB3 LYS A 28 6.691 -10.428 -1.187 1.00 1.42 H new ATOM 0 HG2 LYS A 28 6.469 -9.072 0.602 1.00 1.72 H new ATOM 0 HG3 LYS A 28 4.767 -8.998 0.189 1.00 1.72 H new ATOM 0 HD2 LYS A 28 4.357 -10.975 1.730 1.00 2.52 H new ATOM 0 HD3 LYS A 28 6.043 -10.913 2.203 1.00 2.52 H new ATOM 0 HE2 LYS A 28 5.746 -8.523 2.928 1.00 3.41 H new ATOM 0 HE3 LYS A 28 4.057 -8.597 2.468 1.00 3.41 H new ATOM 0 HZ1 LYS A 28 4.339 -8.915 4.823 1.00 4.39 H new ATOM 0 HZ2 LYS A 28 3.712 -10.326 4.117 1.00 4.39 H new ATOM 0 HZ3 LYS A 28 5.349 -10.254 4.563 1.00 4.39 H new ATOM 416 N HIS A 29 2.585 -10.728 -0.225 1.00 0.74 N ATOM 417 CA HIS A 29 1.401 -11.315 0.385 1.00 0.87 C ATOM 418 C HIS A 29 0.362 -11.555 -0.716 1.00 0.80 C ATOM 419 O HIS A 29 -0.037 -10.608 -1.388 1.00 1.26 O ATOM 420 CB HIS A 29 0.885 -10.478 1.566 1.00 1.23 C ATOM 421 CG HIS A 29 0.155 -9.209 1.213 1.00 0.70 C ATOM 422 ND1 HIS A 29 -1.212 -9.052 1.192 1.00 1.32 N ATOM 423 CD2 HIS A 29 0.718 -7.986 0.969 1.00 0.91 C ATOM 424 CE1 HIS A 29 -1.465 -7.763 0.919 1.00 2.03 C ATOM 425 NE2 HIS A 29 -0.321 -7.072 0.781 1.00 1.77 N ATOM 0 H HIS A 29 2.726 -9.736 -0.034 1.00 0.74 H new ATOM 0 HA HIS A 29 1.645 -12.278 0.834 1.00 0.87 H new ATOM 0 HB2 HIS A 29 0.219 -11.102 2.163 1.00 1.23 H new ATOM 0 HB3 HIS A 29 1.734 -10.220 2.200 1.00 1.23 H new ATOM 0 HD1 HIS A 29 -1.906 -9.782 1.354 1.00 1.32 H new ATOM 0 HD2 HIS A 29 1.775 -7.767 0.929 1.00 0.91 H new ATOM 0 HE1 HIS A 29 -2.454 -7.339 0.823 1.00 2.03 H new ATOM 433 N ARG A 30 -0.095 -12.798 -0.911 1.00 0.91 N ATOM 434 CA ARG A 30 -1.022 -13.151 -1.994 1.00 1.14 C ATOM 435 C ARG A 30 -2.410 -12.512 -1.816 1.00 1.20 C ATOM 436 O ARG A 30 -3.286 -12.680 -2.653 1.00 2.80 O ATOM 437 CB ARG A 30 -1.077 -14.683 -2.148 1.00 1.78 C ATOM 438 CG ARG A 30 -1.941 -15.258 -3.291 1.00 2.91 C ATOM 439 CD ARG A 30 -1.542 -14.833 -4.718 1.00 4.53 C ATOM 440 NE ARG A 30 -1.976 -13.467 -5.070 1.00 5.92 N ATOM 441 CZ ARG A 30 -3.224 -13.070 -5.382 1.00 7.25 C ATOM 442 NH1 ARG A 30 -4.231 -13.942 -5.468 1.00 7.28 N ATOM 443 NH2 ARG A 30 -3.450 -11.776 -5.583 1.00 8.90 N ATOM 0 H ARG A 30 0.168 -13.588 -0.322 1.00 0.91 H new ATOM 0 HA ARG A 30 -0.642 -12.732 -2.926 1.00 1.14 H new ATOM 0 HB2 ARG A 30 -0.057 -15.043 -2.284 1.00 1.78 H new ATOM 0 HB3 ARG A 30 -1.440 -15.102 -1.210 1.00 1.78 H new ATOM 0 HG2 ARG A 30 -1.906 -16.346 -3.234 1.00 2.91 H new ATOM 0 HG3 ARG A 30 -2.976 -14.963 -3.121 1.00 2.91 H new ATOM 0 HD2 ARG A 30 -0.459 -14.898 -4.818 1.00 4.53 H new ATOM 0 HD3 ARG A 30 -1.971 -15.537 -5.431 1.00 4.53 H new ATOM 0 HE ARG A 30 -1.253 -12.747 -5.078 1.00 5.92 H new ATOM 0 HH11 ARG A 30 -4.063 -14.933 -5.296 1.00 7.28 H new ATOM 0 HH12 ARG A 30 -5.168 -13.617 -5.706 1.00 7.28 H new ATOM 0 HH21 ARG A 30 -2.686 -11.106 -5.500 1.00 8.90 H new ATOM 0 HH22 ARG A 30 -4.388 -11.453 -5.820 1.00 8.90 H new ATOM 457 N GLY A 31 -2.636 -11.730 -0.762 1.00 1.42 N ATOM 458 CA GLY A 31 -3.757 -10.808 -0.772 1.00 1.68 C ATOM 459 C GLY A 31 -3.617 -9.787 -1.898 1.00 1.12 C ATOM 460 O GLY A 31 -4.598 -9.440 -2.548 1.00 1.07 O ATOM 0 H GLY A 31 -2.071 -11.718 0.087 1.00 1.42 H new ATOM 0 HA2 GLY A 31 -4.687 -11.363 -0.893 1.00 1.68 H new ATOM 0 HA3 GLY A 31 -3.816 -10.292 0.186 1.00 1.68 H new ATOM 464 N ILE A 32 -2.397 -9.284 -2.104 1.00 0.91 N ATOM 465 CA ILE A 32 -2.086 -8.303 -3.122 1.00 0.69 C ATOM 466 C ILE A 32 -1.970 -9.033 -4.457 1.00 0.88 C ATOM 467 O ILE A 32 -1.552 -10.193 -4.514 1.00 1.29 O ATOM 468 CB ILE A 32 -0.798 -7.542 -2.729 1.00 0.55 C ATOM 469 CG1 ILE A 32 -1.062 -6.041 -2.534 1.00 0.69 C ATOM 470 CG2 ILE A 32 0.374 -7.754 -3.697 1.00 0.86 C ATOM 471 CD1 ILE A 32 -1.129 -5.281 -3.851 1.00 1.76 C ATOM 0 H ILE A 32 -1.586 -9.560 -1.550 1.00 0.91 H new ATOM 0 HA ILE A 32 -2.871 -7.552 -3.215 1.00 0.69 H new ATOM 0 HB ILE A 32 -0.495 -7.978 -1.777 1.00 0.55 H new ATOM 0 HG12 ILE A 32 -2.000 -5.908 -1.994 1.00 0.69 H new ATOM 0 HG13 ILE A 32 -0.274 -5.615 -1.913 1.00 0.69 H new ATOM 0 HG21 ILE A 32 1.239 -7.187 -3.351 1.00 0.86 H new ATOM 0 HG22 ILE A 32 0.627 -8.814 -3.736 1.00 0.86 H new ATOM 0 HG23 ILE A 32 0.090 -7.412 -4.692 1.00 0.86 H new ATOM 0 HD11 ILE A 32 -1.317 -4.226 -3.653 1.00 1.76 H new ATOM 0 HD12 ILE A 32 -0.182 -5.387 -4.381 1.00 1.76 H new ATOM 0 HD13 ILE A 32 -1.935 -5.685 -4.464 1.00 1.76 H new ATOM 483 N LEU A 33 -2.340 -8.351 -5.537 1.00 0.74 N ATOM 484 CA LEU A 33 -2.146 -8.804 -6.902 1.00 0.90 C ATOM 485 C LEU A 33 -1.260 -7.820 -7.670 1.00 0.81 C ATOM 486 O LEU A 33 -0.469 -8.248 -8.506 1.00 0.90 O ATOM 487 CB LEU A 33 -3.508 -9.103 -7.536 1.00 1.22 C ATOM 488 CG LEU A 33 -4.248 -7.903 -8.145 1.00 1.15 C ATOM 489 CD1 LEU A 33 -4.095 -7.880 -9.668 1.00 1.99 C ATOM 490 CD2 LEU A 33 -5.726 -7.963 -7.752 1.00 2.18 C ATOM 0 H LEU A 33 -2.797 -7.441 -5.480 1.00 0.74 H new ATOM 0 HA LEU A 33 -1.596 -9.745 -6.933 1.00 0.90 H new ATOM 0 HB2 LEU A 33 -3.366 -9.851 -8.316 1.00 1.22 H new ATOM 0 HB3 LEU A 33 -4.149 -9.552 -6.777 1.00 1.22 H new ATOM 0 HG LEU A 33 -3.810 -6.984 -7.755 1.00 1.15 H new ATOM 0 HD11 LEU A 33 -4.628 -7.021 -10.074 1.00 1.99 H new ATOM 0 HD12 LEU A 33 -3.039 -7.807 -9.926 1.00 1.99 H new ATOM 0 HD13 LEU A 33 -4.509 -8.796 -10.089 1.00 1.99 H new ATOM 0 HD21 LEU A 33 -6.252 -7.112 -8.184 1.00 2.18 H new ATOM 0 HD22 LEU A 33 -6.165 -8.888 -8.126 1.00 2.18 H new ATOM 0 HD23 LEU A 33 -5.815 -7.932 -6.666 1.00 2.18 H new ATOM 502 N TYR A 34 -1.330 -6.517 -7.359 1.00 0.72 N ATOM 503 CA TYR A 34 -0.385 -5.543 -7.876 1.00 0.76 C ATOM 504 C TYR A 34 -0.346 -4.371 -6.905 1.00 0.67 C ATOM 505 O TYR A 34 -1.393 -3.953 -6.415 1.00 0.79 O ATOM 506 CB TYR A 34 -0.805 -5.080 -9.276 1.00 0.93 C ATOM 507 CG TYR A 34 0.099 -4.013 -9.861 1.00 1.00 C ATOM 508 CD1 TYR A 34 1.286 -4.384 -10.515 1.00 1.85 C ATOM 509 CD2 TYR A 34 -0.209 -2.648 -9.693 1.00 1.88 C ATOM 510 CE1 TYR A 34 2.143 -3.398 -11.032 1.00 1.96 C ATOM 511 CE2 TYR A 34 0.650 -1.662 -10.207 1.00 2.01 C ATOM 512 CZ TYR A 34 1.825 -2.039 -10.882 1.00 1.38 C ATOM 513 OH TYR A 34 2.636 -1.095 -11.437 1.00 1.65 O ATOM 0 H TYR A 34 -2.042 -6.121 -6.745 1.00 0.72 H new ATOM 0 HA TYR A 34 0.607 -5.986 -7.965 1.00 0.76 H new ATOM 0 HB2 TYR A 34 -0.817 -5.940 -9.945 1.00 0.93 H new ATOM 0 HB3 TYR A 34 -1.824 -4.696 -9.232 1.00 0.93 H new ATOM 0 HD1 TYR A 34 1.540 -5.428 -10.620 1.00 1.85 H new ATOM 0 HD2 TYR A 34 -1.107 -2.359 -9.168 1.00 1.88 H new ATOM 0 HE1 TYR A 34 3.048 -3.686 -11.546 1.00 1.96 H new ATOM 0 HE2 TYR A 34 0.408 -0.617 -10.084 1.00 2.01 H new ATOM 0 HH TYR A 34 2.279 -0.203 -11.245 1.00 1.65 H new ATOM 523 N CYS A 35 0.843 -3.838 -6.626 1.00 0.63 N ATOM 524 CA CYS A 35 1.009 -2.606 -5.875 1.00 0.59 C ATOM 525 C CYS A 35 1.918 -1.705 -6.694 1.00 0.69 C ATOM 526 O CYS A 35 2.791 -2.217 -7.394 1.00 1.03 O ATOM 527 CB CYS A 35 1.626 -2.882 -4.499 1.00 0.81 C ATOM 528 SG CYS A 35 1.928 -1.319 -3.639 1.00 2.09 S ATOM 0 H CYS A 35 1.724 -4.258 -6.921 1.00 0.63 H new ATOM 0 HA CYS A 35 0.043 -2.132 -5.702 1.00 0.59 H new ATOM 0 HB2 CYS A 35 0.957 -3.509 -3.909 1.00 0.81 H new ATOM 0 HB3 CYS A 35 2.560 -3.432 -4.613 1.00 0.81 H new ATOM 0 HG CYS A 35 0.991 -0.470 -3.940 1.00 2.09 H new ATOM 534 N SER A 36 1.725 -0.388 -6.620 1.00 0.60 N ATOM 535 CA SER A 36 2.801 0.533 -6.938 1.00 0.88 C ATOM 536 C SER A 36 2.652 1.782 -6.077 1.00 0.66 C ATOM 537 O SER A 36 1.525 2.149 -5.734 1.00 0.85 O ATOM 538 CB SER A 36 2.847 0.834 -8.438 1.00 1.37 C ATOM 539 OG SER A 36 3.889 1.737 -8.751 1.00 2.08 O ATOM 0 H SER A 36 0.847 0.054 -6.347 1.00 0.60 H new ATOM 0 HA SER A 36 3.764 0.079 -6.705 1.00 0.88 H new ATOM 0 HB2 SER A 36 2.988 -0.094 -8.993 1.00 1.37 H new ATOM 0 HB3 SER A 36 1.892 1.253 -8.756 1.00 1.37 H new ATOM 0 HG SER A 36 4.737 1.391 -8.403 1.00 2.08 H new ATOM 545 N VAL A 37 3.774 2.404 -5.709 1.00 0.54 N ATOM 546 CA VAL A 37 3.818 3.650 -4.961 1.00 0.53 C ATOM 547 C VAL A 37 4.293 4.805 -5.842 1.00 0.74 C ATOM 548 O VAL A 37 5.075 4.610 -6.768 1.00 1.10 O ATOM 549 CB VAL A 37 4.708 3.516 -3.710 1.00 0.89 C ATOM 550 CG1 VAL A 37 3.907 3.030 -2.505 1.00 1.82 C ATOM 551 CG2 VAL A 37 5.880 2.559 -3.912 1.00 2.18 C ATOM 0 H VAL A 37 4.700 2.040 -5.932 1.00 0.54 H new ATOM 0 HA VAL A 37 2.803 3.873 -4.631 1.00 0.53 H new ATOM 0 HB VAL A 37 5.098 4.518 -3.530 1.00 0.89 H new ATOM 0 HG11 VAL A 37 4.565 2.947 -1.640 1.00 1.82 H new ATOM 0 HG12 VAL A 37 3.110 3.741 -2.287 1.00 1.82 H new ATOM 0 HG13 VAL A 37 3.473 2.055 -2.726 1.00 1.82 H new ATOM 0 HG21 VAL A 37 6.469 2.507 -2.997 1.00 2.18 H new ATOM 0 HG22 VAL A 37 5.501 1.567 -4.157 1.00 2.18 H new ATOM 0 HG23 VAL A 37 6.507 2.919 -4.727 1.00 2.18 H new ATOM 561 N ALA A 38 3.838 6.024 -5.527 1.00 0.68 N ATOM 562 CA ALA A 38 4.346 7.244 -6.140 1.00 0.85 C ATOM 563 C ALA A 38 4.509 8.350 -5.106 1.00 0.90 C ATOM 564 O ALA A 38 3.597 8.634 -4.329 1.00 0.84 O ATOM 565 CB ALA A 38 3.430 7.736 -7.257 1.00 0.93 C ATOM 0 H ALA A 38 3.105 6.186 -4.837 1.00 0.68 H new ATOM 0 HA ALA A 38 5.319 7.000 -6.565 1.00 0.85 H new ATOM 0 HB1 ALA A 38 3.842 8.648 -7.690 1.00 0.93 H new ATOM 0 HB2 ALA A 38 3.353 6.970 -8.029 1.00 0.93 H new ATOM 0 HB3 ALA A 38 2.440 7.942 -6.851 1.00 0.93 H new ATOM 571 N LEU A 39 5.667 9.008 -5.158 1.00 1.06 N ATOM 572 CA LEU A 39 6.031 10.114 -4.281 1.00 1.20 C ATOM 573 C LEU A 39 5.111 11.311 -4.520 1.00 1.27 C ATOM 574 O LEU A 39 4.747 12.004 -3.575 1.00 1.28 O ATOM 575 CB LEU A 39 7.491 10.533 -4.511 1.00 1.67 C ATOM 576 CG LEU A 39 8.493 9.370 -4.391 1.00 1.07 C ATOM 577 CD1 LEU A 39 9.065 9.015 -5.771 1.00 2.94 C ATOM 578 CD2 LEU A 39 9.639 9.751 -3.448 1.00 1.48 C ATOM 0 H LEU A 39 6.397 8.777 -5.832 1.00 1.06 H new ATOM 0 HA LEU A 39 5.919 9.777 -3.251 1.00 1.20 H new ATOM 0 HB2 LEU A 39 7.581 10.978 -5.502 1.00 1.67 H new ATOM 0 HB3 LEU A 39 7.756 11.306 -3.790 1.00 1.67 H new ATOM 0 HG LEU A 39 7.967 8.505 -3.987 1.00 1.07 H new ATOM 0 HD11 LEU A 39 9.772 8.191 -5.671 1.00 2.94 H new ATOM 0 HD12 LEU A 39 8.254 8.718 -6.436 1.00 2.94 H new ATOM 0 HD13 LEU A 39 9.576 9.883 -6.187 1.00 2.94 H new ATOM 0 HD21 LEU A 39 10.340 8.920 -3.373 1.00 1.48 H new ATOM 0 HD22 LEU A 39 10.156 10.627 -3.839 1.00 1.48 H new ATOM 0 HD23 LEU A 39 9.237 9.978 -2.460 1.00 1.48 H new ATOM 590 N ALA A 40 4.736 11.537 -5.786 1.00 1.41 N ATOM 591 CA ALA A 40 3.967 12.683 -6.266 1.00 1.64 C ATOM 592 C ALA A 40 2.818 13.084 -5.337 1.00 1.43 C ATOM 593 O ALA A 40 2.564 14.270 -5.146 1.00 1.60 O ATOM 594 CB ALA A 40 3.438 12.380 -7.670 1.00 1.91 C ATOM 0 H ALA A 40 4.975 10.890 -6.538 1.00 1.41 H new ATOM 0 HA ALA A 40 4.643 13.538 -6.287 1.00 1.64 H new ATOM 0 HB1 ALA A 40 2.863 13.232 -8.034 1.00 1.91 H new ATOM 0 HB2 ALA A 40 4.276 12.194 -8.342 1.00 1.91 H new ATOM 0 HB3 ALA A 40 2.798 11.498 -7.635 1.00 1.91 H new ATOM 600 N THR A 41 2.113 12.101 -4.772 1.00 1.13 N ATOM 601 CA THR A 41 1.103 12.340 -3.745 1.00 0.96 C ATOM 602 C THR A 41 1.195 11.255 -2.673 1.00 0.91 C ATOM 603 O THR A 41 0.197 10.786 -2.139 1.00 1.18 O ATOM 604 CB THR A 41 -0.257 12.531 -4.421 1.00 1.36 C ATOM 605 OG1 THR A 41 -1.255 12.986 -3.532 1.00 2.64 O ATOM 606 CG2 THR A 41 -0.757 11.306 -5.178 1.00 1.92 C ATOM 0 H THR A 41 2.228 11.117 -5.016 1.00 1.13 H new ATOM 0 HA THR A 41 1.272 13.267 -3.196 1.00 0.96 H new ATOM 0 HB THR A 41 -0.069 13.310 -5.160 1.00 1.36 H new ATOM 0 HG1 THR A 41 -1.224 12.458 -2.707 1.00 2.64 H new ATOM 0 HG21 THR A 41 -1.726 11.526 -5.627 1.00 1.92 H new ATOM 0 HG22 THR A 41 -0.045 11.047 -5.961 1.00 1.92 H new ATOM 0 HG23 THR A 41 -0.858 10.468 -4.488 1.00 1.92 H new ATOM 614 N ASN A 42 2.445 10.880 -2.382 1.00 0.80 N ATOM 615 CA ASN A 42 2.881 9.887 -1.400 1.00 0.74 C ATOM 616 C ASN A 42 1.912 8.710 -1.320 1.00 0.71 C ATOM 617 O ASN A 42 1.505 8.295 -0.236 1.00 0.81 O ATOM 618 CB ASN A 42 3.090 10.542 -0.026 1.00 0.77 C ATOM 619 CG ASN A 42 4.172 11.616 -0.045 1.00 1.01 C ATOM 620 OD1 ASN A 42 3.904 12.780 0.235 1.00 1.83 O ATOM 621 ND2 ASN A 42 5.408 11.242 -0.366 1.00 1.58 N ATOM 0 H ASN A 42 3.240 11.297 -2.867 1.00 0.80 H new ATOM 0 HA ASN A 42 3.839 9.485 -1.731 1.00 0.74 H new ATOM 0 HB2 ASN A 42 2.151 10.984 0.308 1.00 0.77 H new ATOM 0 HB3 ASN A 42 3.358 9.775 0.701 1.00 0.77 H new ATOM 0 HD21 ASN A 42 6.161 11.930 -0.384 1.00 1.58 H new ATOM 0 HD22 ASN A 42 5.603 10.267 -0.594 1.00 1.58 H new ATOM 628 N LYS A 43 1.520 8.188 -2.481 1.00 0.74 N ATOM 629 CA LYS A 43 0.427 7.242 -2.586 1.00 0.72 C ATOM 630 C LYS A 43 0.979 5.842 -2.761 1.00 0.51 C ATOM 631 O LYS A 43 2.000 5.679 -3.422 1.00 0.62 O ATOM 632 CB LYS A 43 -0.513 7.633 -3.732 1.00 1.09 C ATOM 633 CG LYS A 43 0.171 7.760 -5.104 1.00 2.15 C ATOM 634 CD LYS A 43 -0.793 7.410 -6.248 1.00 1.93 C ATOM 635 CE LYS A 43 -2.069 8.264 -6.241 1.00 1.57 C ATOM 636 NZ LYS A 43 -3.060 7.765 -7.215 1.00 1.80 N ATOM 0 H LYS A 43 1.957 8.414 -3.374 1.00 0.74 H new ATOM 0 HA LYS A 43 -0.160 7.261 -1.668 1.00 0.72 H new ATOM 0 HB2 LYS A 43 -1.307 6.889 -3.804 1.00 1.09 H new ATOM 0 HB3 LYS A 43 -0.988 8.583 -3.488 1.00 1.09 H new ATOM 0 HG2 LYS A 43 0.539 8.777 -5.235 1.00 2.15 H new ATOM 0 HG3 LYS A 43 1.038 7.100 -5.142 1.00 2.15 H new ATOM 0 HD2 LYS A 43 -0.280 7.541 -7.201 1.00 1.93 H new ATOM 0 HD3 LYS A 43 -1.067 6.357 -6.176 1.00 1.93 H new ATOM 0 HE2 LYS A 43 -2.505 8.260 -5.242 1.00 1.57 H new ATOM 0 HE3 LYS A 43 -1.817 9.298 -6.474 1.00 1.57 H new ATOM 0 HZ1 LYS A 43 -4.019 7.917 -6.843 1.00 1.80 H new ATOM 0 HZ2 LYS A 43 -2.952 8.277 -8.114 1.00 1.80 H new ATOM 0 HZ3 LYS A 43 -2.908 6.749 -7.375 1.00 1.80 H new ATOM 650 N ALA A 44 0.283 4.850 -2.206 1.00 0.44 N ATOM 651 CA ALA A 44 0.402 3.454 -2.569 1.00 0.47 C ATOM 652 C ALA A 44 -0.940 3.053 -3.161 1.00 0.52 C ATOM 653 O ALA A 44 -1.964 3.171 -2.487 1.00 0.62 O ATOM 654 CB ALA A 44 0.753 2.621 -1.334 1.00 0.47 C ATOM 0 H ALA A 44 -0.401 5.011 -1.466 1.00 0.44 H new ATOM 0 HA ALA A 44 1.199 3.284 -3.293 1.00 0.47 H new ATOM 0 HB1 ALA A 44 0.841 1.572 -1.616 1.00 0.47 H new ATOM 0 HB2 ALA A 44 1.700 2.966 -0.920 1.00 0.47 H new ATOM 0 HB3 ALA A 44 -0.032 2.731 -0.586 1.00 0.47 H new ATOM 660 N HIS A 45 -0.937 2.616 -4.423 1.00 0.51 N ATOM 661 CA HIS A 45 -2.030 1.963 -5.054 1.00 0.56 C ATOM 662 C HIS A 45 -1.839 0.500 -4.695 1.00 0.47 C ATOM 663 O HIS A 45 -0.790 -0.065 -5.006 1.00 0.67 O ATOM 664 CB HIS A 45 -1.872 2.189 -6.557 1.00 0.94 C ATOM 665 CG HIS A 45 -3.114 1.783 -7.269 1.00 0.95 C ATOM 666 ND1 HIS A 45 -4.122 2.661 -7.561 1.00 2.18 N ATOM 667 CD2 HIS A 45 -3.641 0.521 -7.247 1.00 1.22 C ATOM 668 CE1 HIS A 45 -5.235 1.939 -7.724 1.00 3.22 C ATOM 669 NE2 HIS A 45 -4.997 0.627 -7.563 1.00 2.59 N ATOM 0 H HIS A 45 -0.129 2.724 -5.037 1.00 0.51 H new ATOM 0 HA HIS A 45 -3.017 2.315 -4.754 1.00 0.56 H new ATOM 0 HB2 HIS A 45 -1.658 3.239 -6.754 1.00 0.94 H new ATOM 0 HB3 HIS A 45 -1.025 1.615 -6.932 1.00 0.94 H new ATOM 0 HD1 HIS A 45 -4.040 3.675 -7.639 1.00 2.18 H new ATOM 0 HD2 HIS A 45 -3.106 -0.391 -7.026 1.00 1.22 H new ATOM 0 HE1 HIS A 45 -6.203 2.358 -7.956 1.00 3.22 H new ATOM 677 N ILE A 46 -2.818 -0.089 -4.019 1.00 0.40 N ATOM 678 CA ILE A 46 -2.858 -1.499 -3.689 1.00 0.43 C ATOM 679 C ILE A 46 -4.014 -2.072 -4.502 1.00 0.43 C ATOM 680 O ILE A 46 -5.121 -1.536 -4.447 1.00 0.61 O ATOM 681 CB ILE A 46 -3.090 -1.666 -2.176 1.00 0.59 C ATOM 682 CG1 ILE A 46 -1.828 -1.402 -1.338 1.00 0.74 C ATOM 683 CG2 ILE A 46 -3.533 -3.088 -1.804 1.00 0.94 C ATOM 684 CD1 ILE A 46 -1.237 0.001 -1.452 1.00 1.15 C ATOM 0 H ILE A 46 -3.631 0.423 -3.676 1.00 0.40 H new ATOM 0 HA ILE A 46 -1.927 -2.016 -3.923 1.00 0.43 H new ATOM 0 HB ILE A 46 -3.865 -0.932 -1.954 1.00 0.59 H new ATOM 0 HG12 ILE A 46 -2.063 -1.593 -0.291 1.00 0.74 H new ATOM 0 HG13 ILE A 46 -1.064 -2.123 -1.629 1.00 0.74 H new ATOM 0 HG21 ILE A 46 -3.683 -3.152 -0.726 1.00 0.94 H new ATOM 0 HG22 ILE A 46 -4.467 -3.324 -2.315 1.00 0.94 H new ATOM 0 HG23 ILE A 46 -2.764 -3.799 -2.106 1.00 0.94 H new ATOM 0 HD11 ILE A 46 -0.352 0.075 -0.820 1.00 1.15 H new ATOM 0 HD12 ILE A 46 -0.961 0.196 -2.488 1.00 1.15 H new ATOM 0 HD13 ILE A 46 -1.976 0.734 -1.129 1.00 1.15 H new ATOM 696 N LYS A 47 -3.765 -3.156 -5.239 1.00 0.53 N ATOM 697 CA LYS A 47 -4.797 -3.935 -5.884 1.00 0.59 C ATOM 698 C LYS A 47 -4.852 -5.283 -5.173 1.00 0.61 C ATOM 699 O LYS A 47 -4.023 -6.147 -5.451 1.00 0.71 O ATOM 700 CB LYS A 47 -4.453 -4.085 -7.363 1.00 0.68 C ATOM 701 CG LYS A 47 -4.239 -2.721 -8.036 1.00 0.71 C ATOM 702 CD LYS A 47 -4.484 -2.945 -9.534 1.00 0.92 C ATOM 703 CE LYS A 47 -4.640 -1.654 -10.335 1.00 1.46 C ATOM 704 NZ LYS A 47 -5.131 -1.965 -11.692 1.00 2.18 N ATOM 0 H LYS A 47 -2.824 -3.514 -5.400 1.00 0.53 H new ATOM 0 HA LYS A 47 -5.774 -3.456 -5.823 1.00 0.59 H new ATOM 0 HB2 LYS A 47 -3.551 -4.688 -7.468 1.00 0.68 H new ATOM 0 HB3 LYS A 47 -5.255 -4.620 -7.871 1.00 0.68 H new ATOM 0 HG2 LYS A 47 -4.927 -1.976 -7.635 1.00 0.71 H new ATOM 0 HG3 LYS A 47 -3.229 -2.352 -7.857 1.00 0.71 H new ATOM 0 HD2 LYS A 47 -3.654 -3.519 -9.946 1.00 0.92 H new ATOM 0 HD3 LYS A 47 -5.382 -3.549 -9.659 1.00 0.92 H new ATOM 0 HE2 LYS A 47 -5.336 -0.984 -9.831 1.00 1.46 H new ATOM 0 HE3 LYS A 47 -3.684 -1.134 -10.394 1.00 1.46 H new ATOM 0 HZ1 LYS A 47 -5.236 -1.083 -12.234 1.00 2.18 H new ATOM 0 HZ2 LYS A 47 -4.451 -2.588 -12.173 1.00 2.18 H new ATOM 0 HZ3 LYS A 47 -6.052 -2.443 -11.627 1.00 2.18 H new ATOM 718 N TYR A 48 -5.772 -5.444 -4.220 1.00 0.83 N ATOM 719 CA TYR A 48 -5.908 -6.658 -3.423 1.00 0.80 C ATOM 720 C TYR A 48 -7.138 -7.458 -3.841 1.00 0.74 C ATOM 721 O TYR A 48 -8.133 -6.868 -4.242 1.00 0.91 O ATOM 722 CB TYR A 48 -5.949 -6.308 -1.932 1.00 0.92 C ATOM 723 CG TYR A 48 -7.176 -5.545 -1.454 1.00 0.97 C ATOM 724 CD1 TYR A 48 -7.193 -4.138 -1.462 1.00 1.76 C ATOM 725 CD2 TYR A 48 -8.279 -6.245 -0.927 1.00 2.26 C ATOM 726 CE1 TYR A 48 -8.295 -3.438 -0.944 1.00 1.86 C ATOM 727 CE2 TYR A 48 -9.362 -5.542 -0.369 1.00 2.39 C ATOM 728 CZ TYR A 48 -9.381 -4.141 -0.402 1.00 1.39 C ATOM 729 OH TYR A 48 -10.448 -3.463 0.108 1.00 1.73 O ATOM 0 H TYR A 48 -6.452 -4.723 -3.979 1.00 0.83 H new ATOM 0 HA TYR A 48 -5.038 -7.289 -3.603 1.00 0.80 H new ATOM 0 HB2 TYR A 48 -5.877 -7.234 -1.361 1.00 0.92 H new ATOM 0 HB3 TYR A 48 -5.064 -5.717 -1.694 1.00 0.92 H new ATOM 0 HD1 TYR A 48 -6.354 -3.593 -1.869 1.00 1.76 H new ATOM 0 HD2 TYR A 48 -8.293 -7.325 -0.951 1.00 2.26 H new ATOM 0 HE1 TYR A 48 -8.306 -2.358 -0.963 1.00 1.86 H new ATOM 0 HE2 TYR A 48 -10.179 -6.082 0.085 1.00 2.39 H new ATOM 0 HH TYR A 48 -11.112 -4.102 0.442 1.00 1.73 H new ATOM 739 N ASP A 49 -7.087 -8.784 -3.736 1.00 0.61 N ATOM 740 CA ASP A 49 -8.218 -9.649 -4.066 1.00 0.67 C ATOM 741 C ASP A 49 -9.255 -9.495 -2.936 1.00 0.70 C ATOM 742 O ASP A 49 -8.959 -9.891 -1.809 1.00 0.73 O ATOM 743 CB ASP A 49 -7.791 -11.124 -4.179 1.00 0.77 C ATOM 744 CG ASP A 49 -6.659 -11.472 -5.136 1.00 1.71 C ATOM 745 OD1 ASP A 49 -5.822 -10.599 -5.439 1.00 2.84 O ATOM 746 OD2 ASP A 49 -6.552 -12.663 -5.504 1.00 2.48 O ATOM 0 H ASP A 49 -6.260 -9.290 -3.419 1.00 0.61 H new ATOM 0 HA ASP A 49 -8.631 -9.359 -5.032 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -7.503 -11.465 -3.184 1.00 0.77 H new ATOM 0 HB3 ASP A 49 -8.666 -11.703 -4.474 1.00 0.77 H new ATOM 751 N PRO A 50 -10.426 -8.873 -3.152 1.00 0.85 N ATOM 752 CA PRO A 50 -11.255 -8.370 -2.067 1.00 0.95 C ATOM 753 C PRO A 50 -12.118 -9.473 -1.449 1.00 1.02 C ATOM 754 O PRO A 50 -13.344 -9.438 -1.533 1.00 1.59 O ATOM 755 CB PRO A 50 -12.075 -7.243 -2.698 1.00 1.19 C ATOM 756 CG PRO A 50 -12.296 -7.759 -4.119 1.00 1.21 C ATOM 757 CD PRO A 50 -10.978 -8.474 -4.434 1.00 1.05 C ATOM 0 HA PRO A 50 -10.665 -8.003 -1.227 1.00 0.95 H new ATOM 0 HB2 PRO A 50 -13.016 -7.082 -2.173 1.00 1.19 H new ATOM 0 HB3 PRO A 50 -11.538 -6.295 -2.688 1.00 1.19 H new ATOM 0 HG2 PRO A 50 -13.147 -8.438 -4.174 1.00 1.21 H new ATOM 0 HG3 PRO A 50 -12.491 -6.946 -4.818 1.00 1.21 H new ATOM 0 HD2 PRO A 50 -11.147 -9.340 -5.073 1.00 1.05 H new ATOM 0 HD3 PRO A 50 -10.293 -7.814 -4.966 1.00 1.05 H new ATOM 765 N GLU A 51 -11.471 -10.433 -0.786 1.00 0.93 N ATOM 766 CA GLU A 51 -12.126 -11.539 -0.111 1.00 1.08 C ATOM 767 C GLU A 51 -11.368 -11.915 1.162 1.00 1.09 C ATOM 768 O GLU A 51 -11.735 -11.491 2.255 1.00 1.78 O ATOM 769 CB GLU A 51 -12.318 -12.710 -1.090 1.00 1.34 C ATOM 770 CG GLU A 51 -11.107 -13.021 -1.996 1.00 2.00 C ATOM 771 CD GLU A 51 -11.461 -12.850 -3.466 1.00 2.38 C ATOM 772 OE1 GLU A 51 -12.084 -13.772 -4.040 1.00 2.60 O ATOM 773 OE2 GLU A 51 -11.148 -11.787 -4.048 1.00 3.50 O ATOM 0 H GLU A 51 -10.454 -10.458 -0.706 1.00 0.93 H new ATOM 0 HA GLU A 51 -13.123 -11.241 0.215 1.00 1.08 H new ATOM 0 HB2 GLU A 51 -12.561 -13.605 -0.517 1.00 1.34 H new ATOM 0 HB3 GLU A 51 -13.178 -12.494 -1.724 1.00 1.34 H new ATOM 0 HG2 GLU A 51 -10.279 -12.361 -1.740 1.00 2.00 H new ATOM 0 HG3 GLU A 51 -10.768 -14.041 -1.817 1.00 2.00 H new ATOM 780 N ILE A 52 -10.323 -12.735 1.034 1.00 1.03 N ATOM 781 CA ILE A 52 -9.587 -13.242 2.185 1.00 1.22 C ATOM 782 C ILE A 52 -8.857 -12.105 2.909 1.00 1.10 C ATOM 783 O ILE A 52 -8.932 -11.988 4.135 1.00 1.41 O ATOM 784 CB ILE A 52 -8.664 -14.413 1.779 1.00 1.60 C ATOM 785 CG1 ILE A 52 -7.562 -14.047 0.763 1.00 1.45 C ATOM 786 CG2 ILE A 52 -9.514 -15.562 1.216 1.00 2.35 C ATOM 787 CD1 ILE A 52 -6.204 -13.840 1.442 1.00 2.03 C ATOM 0 H ILE A 52 -9.968 -13.062 0.135 1.00 1.03 H new ATOM 0 HA ILE A 52 -10.293 -13.654 2.906 1.00 1.22 H new ATOM 0 HB ILE A 52 -8.143 -14.708 2.690 1.00 1.60 H new ATOM 0 HG12 ILE A 52 -7.478 -14.838 0.018 1.00 1.45 H new ATOM 0 HG13 ILE A 52 -7.845 -13.138 0.233 1.00 1.45 H new ATOM 0 HG21 ILE A 52 -8.864 -16.389 0.929 1.00 2.35 H new ATOM 0 HG22 ILE A 52 -10.218 -15.901 1.977 1.00 2.35 H new ATOM 0 HG23 ILE A 52 -10.064 -15.213 0.342 1.00 2.35 H new ATOM 0 HD11 ILE A 52 -5.457 -13.584 0.691 1.00 2.03 H new ATOM 0 HD12 ILE A 52 -6.280 -13.031 2.169 1.00 2.03 H new ATOM 0 HD13 ILE A 52 -5.908 -14.758 1.950 1.00 2.03 H new ATOM 799 N ILE A 53 -8.156 -11.262 2.149 1.00 0.93 N ATOM 800 CA ILE A 53 -7.401 -10.134 2.672 1.00 0.85 C ATOM 801 C ILE A 53 -8.351 -8.936 2.795 1.00 0.91 C ATOM 802 O ILE A 53 -9.336 -8.853 2.061 1.00 1.20 O ATOM 803 CB ILE A 53 -6.205 -9.857 1.739 1.00 0.84 C ATOM 804 CG1 ILE A 53 -5.076 -9.039 2.384 1.00 0.95 C ATOM 805 CG2 ILE A 53 -6.666 -9.123 0.484 1.00 0.98 C ATOM 806 CD1 ILE A 53 -4.145 -9.921 3.219 1.00 1.52 C ATOM 0 H ILE A 53 -8.099 -11.350 1.134 1.00 0.93 H new ATOM 0 HA ILE A 53 -6.995 -10.341 3.662 1.00 0.85 H new ATOM 0 HB ILE A 53 -5.801 -10.841 1.501 1.00 0.84 H new ATOM 0 HG12 ILE A 53 -4.501 -8.536 1.607 1.00 0.95 H new ATOM 0 HG13 ILE A 53 -5.505 -8.262 3.016 1.00 0.95 H new ATOM 0 HG21 ILE A 53 -5.809 -8.936 -0.163 1.00 0.98 H new ATOM 0 HG22 ILE A 53 -7.396 -9.734 -0.048 1.00 0.98 H new ATOM 0 HG23 ILE A 53 -7.123 -8.174 0.765 1.00 0.98 H new ATOM 0 HD11 ILE A 53 -3.359 -9.307 3.659 1.00 1.52 H new ATOM 0 HD12 ILE A 53 -4.716 -10.403 4.013 1.00 1.52 H new ATOM 0 HD13 ILE A 53 -3.696 -10.682 2.581 1.00 1.52 H new ATOM 818 N GLY A 54 -8.059 -8.000 3.697 1.00 0.71 N ATOM 819 CA GLY A 54 -8.788 -6.750 3.826 1.00 0.68 C ATOM 820 C GLY A 54 -7.822 -5.576 3.980 1.00 0.65 C ATOM 821 O GLY A 54 -6.634 -5.779 4.241 1.00 0.78 O ATOM 0 H GLY A 54 -7.296 -8.096 4.367 1.00 0.71 H new ATOM 0 HA2 GLY A 54 -9.417 -6.598 2.949 1.00 0.68 H new ATOM 0 HA3 GLY A 54 -9.451 -6.797 4.689 1.00 0.68 H new ATOM 825 N PRO A 55 -8.329 -4.336 3.873 1.00 0.63 N ATOM 826 CA PRO A 55 -7.543 -3.125 4.069 1.00 0.64 C ATOM 827 C PRO A 55 -6.852 -3.145 5.434 1.00 0.59 C ATOM 828 O PRO A 55 -5.724 -2.678 5.559 1.00 0.57 O ATOM 829 CB PRO A 55 -8.523 -1.958 3.920 1.00 0.76 C ATOM 830 CG PRO A 55 -9.887 -2.579 4.218 1.00 0.81 C ATOM 831 CD PRO A 55 -9.734 -4.007 3.697 1.00 0.72 C ATOM 0 HA PRO A 55 -6.738 -3.034 3.339 1.00 0.64 H new ATOM 0 HB2 PRO A 55 -8.291 -1.151 4.615 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -8.488 -1.534 2.917 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -10.115 -2.560 5.284 1.00 0.81 H new ATOM 0 HG3 PRO A 55 -10.692 -2.048 3.710 1.00 0.81 H new ATOM 0 HD2 PRO A 55 -10.371 -4.697 4.250 1.00 0.72 H new ATOM 0 HD3 PRO A 55 -10.025 -4.076 2.649 1.00 0.72 H new ATOM 839 N ARG A 56 -7.510 -3.733 6.437 1.00 0.65 N ATOM 840 CA ARG A 56 -6.929 -4.025 7.740 1.00 0.75 C ATOM 841 C ARG A 56 -5.497 -4.582 7.596 1.00 0.65 C ATOM 842 O ARG A 56 -4.566 -4.093 8.229 1.00 0.65 O ATOM 843 CB ARG A 56 -7.878 -4.976 8.513 1.00 0.97 C ATOM 844 CG ARG A 56 -7.777 -6.411 7.976 1.00 2.93 C ATOM 845 CD ARG A 56 -8.806 -7.464 8.386 1.00 3.91 C ATOM 846 NE ARG A 56 -8.333 -8.738 7.814 1.00 5.91 N ATOM 847 CZ ARG A 56 -9.003 -9.581 7.012 1.00 7.42 C ATOM 848 NH1 ARG A 56 -10.340 -9.629 7.034 1.00 7.38 N ATOM 849 NH2 ARG A 56 -8.317 -10.360 6.178 1.00 9.29 N ATOM 0 H ARG A 56 -8.484 -4.024 6.358 1.00 0.65 H new ATOM 0 HA ARG A 56 -6.830 -3.108 8.320 1.00 0.75 H new ATOM 0 HB2 ARG A 56 -7.627 -4.962 9.574 1.00 0.97 H new ATOM 0 HB3 ARG A 56 -8.905 -4.622 8.424 1.00 0.97 H new ATOM 0 HG2 ARG A 56 -7.794 -6.350 6.888 1.00 2.93 H new ATOM 0 HG3 ARG A 56 -6.796 -6.792 8.258 1.00 2.93 H new ATOM 0 HD2 ARG A 56 -8.886 -7.529 9.471 1.00 3.91 H new ATOM 0 HD3 ARG A 56 -9.796 -7.210 8.008 1.00 3.91 H new ATOM 0 HE ARG A 56 -7.381 -9.012 8.057 1.00 5.91 H new ATOM 0 HH11 ARG A 56 -10.862 -9.021 7.665 1.00 7.38 H new ATOM 0 HH12 ARG A 56 -10.837 -10.274 6.420 1.00 7.38 H new ATOM 0 HH21 ARG A 56 -7.298 -10.311 6.155 1.00 9.29 H new ATOM 0 HH22 ARG A 56 -8.810 -11.006 5.562 1.00 9.29 H new ATOM 863 N ASP A 57 -5.314 -5.611 6.759 1.00 0.63 N ATOM 864 CA ASP A 57 -4.086 -6.387 6.700 1.00 0.61 C ATOM 865 C ASP A 57 -3.008 -5.530 6.061 1.00 0.57 C ATOM 866 O ASP A 57 -1.901 -5.416 6.581 1.00 0.58 O ATOM 867 CB ASP A 57 -4.287 -7.682 5.904 1.00 0.69 C ATOM 868 CG ASP A 57 -5.466 -8.521 6.364 1.00 1.38 C ATOM 869 OD1 ASP A 57 -5.612 -8.782 7.577 1.00 2.56 O ATOM 870 OD2 ASP A 57 -6.283 -8.885 5.495 1.00 2.26 O ATOM 0 H ASP A 57 -6.027 -5.925 6.100 1.00 0.63 H new ATOM 0 HA ASP A 57 -3.788 -6.672 7.709 1.00 0.61 H new ATOM 0 HB2 ASP A 57 -4.423 -7.431 4.852 1.00 0.69 H new ATOM 0 HB3 ASP A 57 -3.380 -8.282 5.974 1.00 0.69 H new ATOM 875 N ILE A 58 -3.359 -4.916 4.928 1.00 0.57 N ATOM 876 CA ILE A 58 -2.542 -3.926 4.242 1.00 0.54 C ATOM 877 C ILE A 58 -2.036 -2.899 5.247 1.00 0.51 C ATOM 878 O ILE A 58 -0.842 -2.615 5.315 1.00 0.51 O ATOM 879 CB ILE A 58 -3.385 -3.258 3.136 1.00 0.55 C ATOM 880 CG1 ILE A 58 -3.635 -4.219 1.966 1.00 0.48 C ATOM 881 CG2 ILE A 58 -2.793 -1.927 2.649 1.00 0.71 C ATOM 882 CD1 ILE A 58 -2.377 -4.456 1.131 1.00 1.92 C ATOM 0 H ILE A 58 -4.243 -5.102 4.455 1.00 0.57 H new ATOM 0 HA ILE A 58 -1.677 -4.402 3.780 1.00 0.54 H new ATOM 0 HB ILE A 58 -4.347 -3.017 3.589 1.00 0.55 H new ATOM 0 HG12 ILE A 58 -3.997 -5.172 2.352 1.00 0.48 H new ATOM 0 HG13 ILE A 58 -4.421 -3.815 1.328 1.00 0.48 H new ATOM 0 HG21 ILE A 58 -3.432 -1.507 1.872 1.00 0.71 H new ATOM 0 HG22 ILE A 58 -2.731 -1.229 3.484 1.00 0.71 H new ATOM 0 HG23 ILE A 58 -1.795 -2.099 2.245 1.00 0.71 H new ATOM 0 HD11 ILE A 58 -2.605 -5.143 0.316 1.00 1.92 H new ATOM 0 HD12 ILE A 58 -2.029 -3.508 0.720 1.00 1.92 H new ATOM 0 HD13 ILE A 58 -1.598 -4.887 1.760 1.00 1.92 H new ATOM 894 N ILE A 59 -2.959 -2.348 6.028 1.00 0.53 N ATOM 895 CA ILE A 59 -2.638 -1.323 6.994 1.00 0.53 C ATOM 896 C ILE A 59 -1.660 -1.871 8.032 1.00 0.57 C ATOM 897 O ILE A 59 -0.580 -1.311 8.191 1.00 0.60 O ATOM 898 CB ILE A 59 -3.937 -0.725 7.552 1.00 0.53 C ATOM 899 CG1 ILE A 59 -4.514 0.201 6.469 1.00 0.57 C ATOM 900 CG2 ILE A 59 -3.747 -0.001 8.892 1.00 0.54 C ATOM 901 CD1 ILE A 59 -5.986 0.502 6.702 1.00 0.57 C ATOM 0 H ILE A 59 -3.946 -2.604 6.004 1.00 0.53 H new ATOM 0 HA ILE A 59 -2.111 -0.488 6.533 1.00 0.53 H new ATOM 0 HB ILE A 59 -4.636 -1.529 7.781 1.00 0.53 H new ATOM 0 HG12 ILE A 59 -3.951 1.134 6.453 1.00 0.57 H new ATOM 0 HG13 ILE A 59 -4.389 -0.263 5.491 1.00 0.57 H new ATOM 0 HG21 ILE A 59 -4.704 0.397 9.229 1.00 0.54 H new ATOM 0 HG22 ILE A 59 -3.364 -0.702 9.633 1.00 0.54 H new ATOM 0 HG23 ILE A 59 -3.038 0.817 8.766 1.00 0.54 H new ATOM 0 HD11 ILE A 59 -6.352 1.159 5.913 1.00 0.57 H new ATOM 0 HD12 ILE A 59 -6.554 -0.428 6.692 1.00 0.57 H new ATOM 0 HD13 ILE A 59 -6.109 0.991 7.668 1.00 0.57 H new ATOM 913 N HIS A 60 -1.980 -3.003 8.667 1.00 0.61 N ATOM 914 CA HIS A 60 -1.121 -3.600 9.689 1.00 0.70 C ATOM 915 C HIS A 60 0.276 -3.840 9.116 1.00 0.60 C ATOM 916 O HIS A 60 1.298 -3.588 9.757 1.00 0.61 O ATOM 917 CB HIS A 60 -1.710 -4.932 10.176 1.00 0.89 C ATOM 918 CG HIS A 60 -3.124 -4.880 10.699 1.00 1.36 C ATOM 919 ND1 HIS A 60 -4.029 -5.917 10.640 1.00 3.34 N ATOM 920 CD2 HIS A 60 -3.752 -3.817 11.296 1.00 1.18 C ATOM 921 CE1 HIS A 60 -5.173 -5.488 11.195 1.00 3.34 C ATOM 922 NE2 HIS A 60 -5.057 -4.216 11.610 1.00 1.88 N ATOM 0 H HIS A 60 -2.837 -3.527 8.487 1.00 0.61 H new ATOM 0 HA HIS A 60 -1.057 -2.913 10.533 1.00 0.70 H new ATOM 0 HB2 HIS A 60 -1.675 -5.644 9.352 1.00 0.89 H new ATOM 0 HB3 HIS A 60 -1.067 -5.324 10.964 1.00 0.89 H new ATOM 0 HD2 HIS A 60 -3.318 -2.847 11.489 1.00 1.18 H new ATOM 0 HE1 HIS A 60 -6.067 -6.086 11.295 1.00 3.34 H new ATOM 0 HE2 HIS A 60 -5.776 -3.653 12.064 1.00 1.88 H new ATOM 930 N THR A 61 0.305 -4.334 7.879 1.00 0.57 N ATOM 931 CA THR A 61 1.528 -4.614 7.154 1.00 0.60 C ATOM 932 C THR A 61 2.334 -3.318 7.016 1.00 0.58 C ATOM 933 O THR A 61 3.464 -3.248 7.492 1.00 0.67 O ATOM 934 CB THR A 61 1.173 -5.299 5.822 1.00 0.64 C ATOM 935 OG1 THR A 61 0.539 -6.531 6.094 1.00 0.73 O ATOM 936 CG2 THR A 61 2.382 -5.615 4.934 1.00 0.74 C ATOM 0 H THR A 61 -0.539 -4.552 7.350 1.00 0.57 H new ATOM 0 HA THR A 61 2.173 -5.312 7.689 1.00 0.60 H new ATOM 0 HB THR A 61 0.537 -4.593 5.288 1.00 0.64 H new ATOM 0 HG1 THR A 61 -0.404 -6.373 6.310 1.00 0.73 H new ATOM 0 HG21 THR A 61 2.044 -6.096 4.016 1.00 0.74 H new ATOM 0 HG22 THR A 61 2.904 -4.690 4.688 1.00 0.74 H new ATOM 0 HG23 THR A 61 3.059 -6.284 5.466 1.00 0.74 H new ATOM 944 N ILE A 62 1.773 -2.275 6.401 1.00 0.53 N ATOM 945 CA ILE A 62 2.498 -1.032 6.154 1.00 0.51 C ATOM 946 C ILE A 62 2.915 -0.349 7.463 1.00 0.52 C ATOM 947 O ILE A 62 4.028 0.171 7.558 1.00 0.55 O ATOM 948 CB ILE A 62 1.688 -0.122 5.219 1.00 0.48 C ATOM 949 CG1 ILE A 62 1.596 -0.776 3.830 1.00 0.51 C ATOM 950 CG2 ILE A 62 2.370 1.246 5.087 1.00 0.50 C ATOM 951 CD1 ILE A 62 0.524 -0.137 2.944 1.00 1.18 C ATOM 0 H ILE A 62 0.811 -2.270 6.063 1.00 0.53 H new ATOM 0 HA ILE A 62 3.431 -1.263 5.641 1.00 0.51 H new ATOM 0 HB ILE A 62 0.690 0.016 5.635 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.563 -0.701 3.333 1.00 0.51 H new ATOM 0 HG13 ILE A 62 1.379 -1.838 3.947 1.00 0.51 H new ATOM 0 HG21 ILE A 62 1.785 1.881 4.421 1.00 0.50 H new ATOM 0 HG22 ILE A 62 2.438 1.715 6.069 1.00 0.50 H new ATOM 0 HG23 ILE A 62 3.371 1.115 4.677 1.00 0.50 H new ATOM 0 HD11 ILE A 62 0.505 -0.639 1.977 1.00 1.18 H new ATOM 0 HD12 ILE A 62 -0.450 -0.235 3.423 1.00 1.18 H new ATOM 0 HD13 ILE A 62 0.753 0.919 2.800 1.00 1.18 H new ATOM 963 N GLU A 63 2.057 -0.382 8.484 1.00 0.52 N ATOM 964 CA GLU A 63 2.417 0.044 9.828 1.00 0.59 C ATOM 965 C GLU A 63 3.678 -0.700 10.274 1.00 0.64 C ATOM 966 O GLU A 63 4.665 -0.069 10.644 1.00 0.67 O ATOM 967 CB GLU A 63 1.235 -0.176 10.777 1.00 0.69 C ATOM 968 CG GLU A 63 0.110 0.827 10.477 1.00 1.13 C ATOM 969 CD GLU A 63 -1.175 0.531 11.241 1.00 1.94 C ATOM 970 OE1 GLU A 63 -1.321 -0.618 11.712 1.00 2.76 O ATOM 971 OE2 GLU A 63 -1.998 1.467 11.326 1.00 2.84 O ATOM 0 H GLU A 63 1.094 -0.706 8.397 1.00 0.52 H new ATOM 0 HA GLU A 63 2.643 1.110 9.843 1.00 0.59 H new ATOM 0 HB2 GLU A 63 0.860 -1.194 10.671 1.00 0.69 H new ATOM 0 HB3 GLU A 63 1.565 -0.064 11.810 1.00 0.69 H new ATOM 0 HG2 GLU A 63 0.451 1.832 10.727 1.00 1.13 H new ATOM 0 HG3 GLU A 63 -0.100 0.819 9.407 1.00 1.13 H new ATOM 978 N SER A 64 3.688 -2.032 10.166 1.00 0.68 N ATOM 979 CA SER A 64 4.879 -2.822 10.457 1.00 0.72 C ATOM 980 C SER A 64 6.080 -2.392 9.599 1.00 0.80 C ATOM 981 O SER A 64 7.209 -2.383 10.083 1.00 0.86 O ATOM 982 CB SER A 64 4.597 -4.322 10.310 1.00 0.78 C ATOM 983 OG SER A 64 3.470 -4.699 11.077 1.00 1.77 O ATOM 0 H SER A 64 2.880 -2.583 9.878 1.00 0.68 H new ATOM 0 HA SER A 64 5.146 -2.631 11.496 1.00 0.72 H new ATOM 0 HB2 SER A 64 4.426 -4.563 9.261 1.00 0.78 H new ATOM 0 HB3 SER A 64 5.468 -4.893 10.630 1.00 0.78 H new ATOM 0 HG SER A 64 2.655 -4.363 10.648 1.00 1.77 H new ATOM 989 N LEU A 65 5.861 -2.026 8.329 1.00 0.86 N ATOM 990 CA LEU A 65 6.927 -1.494 7.479 1.00 0.95 C ATOM 991 C LEU A 65 7.419 -0.114 7.930 1.00 0.94 C ATOM 992 O LEU A 65 8.488 0.305 7.478 1.00 1.15 O ATOM 993 CB LEU A 65 6.521 -1.430 6.000 1.00 1.01 C ATOM 994 CG LEU A 65 6.022 -2.748 5.395 1.00 1.10 C ATOM 995 CD1 LEU A 65 5.828 -2.554 3.890 1.00 1.26 C ATOM 996 CD2 LEU A 65 6.953 -3.930 5.679 1.00 1.30 C ATOM 0 H LEU A 65 4.952 -2.090 7.870 1.00 0.86 H new ATOM 0 HA LEU A 65 7.749 -2.202 7.587 1.00 0.95 H new ATOM 0 HB2 LEU A 65 5.738 -0.680 5.888 1.00 1.01 H new ATOM 0 HB3 LEU A 65 7.378 -1.086 5.421 1.00 1.01 H new ATOM 0 HG LEU A 65 5.074 -3.000 5.870 1.00 1.10 H new ATOM 0 HD11 LEU A 65 5.473 -3.484 3.446 1.00 1.26 H new ATOM 0 HD12 LEU A 65 5.095 -1.766 3.716 1.00 1.26 H new ATOM 0 HD13 LEU A 65 6.777 -2.273 3.434 1.00 1.26 H new ATOM 0 HD21 LEU A 65 6.544 -4.832 5.225 1.00 1.30 H new ATOM 0 HD22 LEU A 65 7.938 -3.726 5.259 1.00 1.30 H new ATOM 0 HD23 LEU A 65 7.040 -4.074 6.756 1.00 1.30 H new ATOM 1008 N GLY A 66 6.675 0.582 8.792 1.00 0.84 N ATOM 1009 CA GLY A 66 7.085 1.839 9.396 1.00 0.86 C ATOM 1010 C GLY A 66 6.640 3.045 8.575 1.00 0.81 C ATOM 1011 O GLY A 66 7.394 4.008 8.450 1.00 0.93 O ATOM 0 H GLY A 66 5.750 0.275 9.093 1.00 0.84 H new ATOM 0 HA2 GLY A 66 6.667 1.911 10.400 1.00 0.86 H new ATOM 0 HA3 GLY A 66 8.170 1.853 9.501 1.00 0.86 H new ATOM 1015 N PHE A 67 5.408 3.018 8.055 1.00 0.69 N ATOM 1016 CA PHE A 67 4.770 4.165 7.419 1.00 0.64 C ATOM 1017 C PHE A 67 3.310 4.203 7.872 1.00 0.60 C ATOM 1018 O PHE A 67 2.820 3.203 8.388 1.00 0.64 O ATOM 1019 CB PHE A 67 4.864 4.042 5.893 1.00 0.61 C ATOM 1020 CG PHE A 67 6.245 3.714 5.353 1.00 0.58 C ATOM 1021 CD1 PHE A 67 7.251 4.696 5.350 1.00 1.56 C ATOM 1022 CD2 PHE A 67 6.539 2.416 4.897 1.00 1.99 C ATOM 1023 CE1 PHE A 67 8.526 4.403 4.835 1.00 1.56 C ATOM 1024 CE2 PHE A 67 7.815 2.122 4.384 1.00 2.00 C ATOM 1025 CZ PHE A 67 8.799 3.123 4.324 1.00 0.60 C ATOM 0 H PHE A 67 4.821 2.184 8.067 1.00 0.69 H new ATOM 0 HA PHE A 67 5.271 5.089 7.707 1.00 0.64 H new ATOM 0 HB2 PHE A 67 4.170 3.269 5.564 1.00 0.61 H new ATOM 0 HB3 PHE A 67 4.531 4.980 5.448 1.00 0.61 H new ATOM 0 HD1 PHE A 67 7.044 5.680 5.745 1.00 1.56 H new ATOM 0 HD2 PHE A 67 5.784 1.645 4.941 1.00 1.99 H new ATOM 0 HE1 PHE A 67 9.295 5.161 4.832 1.00 1.56 H new ATOM 0 HE2 PHE A 67 8.039 1.125 4.035 1.00 2.00 H new ATOM 0 HZ PHE A 67 9.763 2.909 3.886 1.00 0.60 H new ATOM 1035 N GLU A 68 2.616 5.326 7.671 1.00 0.60 N ATOM 1036 CA GLU A 68 1.218 5.520 8.014 1.00 0.55 C ATOM 1037 C GLU A 68 0.342 5.371 6.755 1.00 0.53 C ATOM 1038 O GLU A 68 0.237 6.329 5.980 1.00 0.58 O ATOM 1039 CB GLU A 68 1.051 6.930 8.579 1.00 0.64 C ATOM 1040 CG GLU A 68 1.766 7.178 9.911 1.00 1.00 C ATOM 1041 CD GLU A 68 1.548 8.624 10.328 1.00 1.58 C ATOM 1042 OE1 GLU A 68 0.368 9.013 10.484 1.00 2.38 O ATOM 1043 OE2 GLU A 68 2.512 9.411 10.324 1.00 2.64 O ATOM 0 H GLU A 68 3.036 6.154 7.248 1.00 0.60 H new ATOM 0 HA GLU A 68 0.912 4.775 8.749 1.00 0.55 H new ATOM 0 HB2 GLU A 68 1.421 7.646 7.845 1.00 0.64 H new ATOM 0 HB3 GLU A 68 -0.012 7.130 8.711 1.00 0.64 H new ATOM 0 HG2 GLU A 68 1.381 6.503 10.676 1.00 1.00 H new ATOM 0 HG3 GLU A 68 2.832 6.972 9.810 1.00 1.00 H new ATOM 1050 N PRO A 69 -0.297 4.209 6.537 1.00 0.53 N ATOM 1051 CA PRO A 69 -1.133 3.940 5.371 1.00 0.60 C ATOM 1052 C PRO A 69 -2.463 4.691 5.487 1.00 0.64 C ATOM 1053 O PRO A 69 -3.494 4.142 5.871 1.00 1.02 O ATOM 1054 CB PRO A 69 -1.311 2.423 5.344 1.00 0.58 C ATOM 1055 CG PRO A 69 -1.216 2.034 6.814 1.00 0.52 C ATOM 1056 CD PRO A 69 -0.253 3.047 7.410 1.00 0.52 C ATOM 0 HA PRO A 69 -0.685 4.286 4.440 1.00 0.60 H new ATOM 0 HB2 PRO A 69 -2.271 2.138 4.913 1.00 0.58 H new ATOM 0 HB3 PRO A 69 -0.538 1.938 4.748 1.00 0.58 H new ATOM 0 HG2 PRO A 69 -2.190 2.078 7.301 1.00 0.52 H new ATOM 0 HG3 PRO A 69 -0.846 1.016 6.933 1.00 0.52 H new ATOM 0 HD2 PRO A 69 -0.546 3.312 8.426 1.00 0.52 H new ATOM 0 HD3 PRO A 69 0.756 2.639 7.465 1.00 0.52 H new ATOM 1064 N SER A 70 -2.429 5.977 5.151 1.00 0.69 N ATOM 1065 CA SER A 70 -3.519 6.902 5.388 1.00 0.86 C ATOM 1066 C SER A 70 -4.561 6.756 4.271 1.00 0.70 C ATOM 1067 O SER A 70 -4.423 7.351 3.203 1.00 0.60 O ATOM 1068 CB SER A 70 -2.938 8.319 5.497 1.00 1.20 C ATOM 1069 OG SER A 70 -1.791 8.336 6.342 1.00 2.34 O ATOM 0 H SER A 70 -1.624 6.409 4.697 1.00 0.69 H new ATOM 0 HA SER A 70 -4.034 6.686 6.324 1.00 0.86 H new ATOM 0 HB2 SER A 70 -2.669 8.683 4.505 1.00 1.20 H new ATOM 0 HB3 SER A 70 -3.695 8.997 5.891 1.00 1.20 H new ATOM 0 HG SER A 70 -1.032 7.934 5.871 1.00 2.34 H new ATOM 1075 N LEU A 71 -5.593 5.940 4.500 1.00 0.80 N ATOM 1076 CA LEU A 71 -6.649 5.642 3.532 1.00 0.78 C ATOM 1077 C LEU A 71 -7.569 6.847 3.263 1.00 0.88 C ATOM 1078 O LEU A 71 -8.759 6.805 3.563 1.00 1.20 O ATOM 1079 CB LEU A 71 -7.432 4.397 3.989 1.00 1.07 C ATOM 1080 CG LEU A 71 -8.159 4.555 5.344 1.00 1.52 C ATOM 1081 CD1 LEU A 71 -9.594 4.028 5.225 1.00 1.65 C ATOM 1082 CD2 LEU A 71 -7.459 3.792 6.472 1.00 2.64 C ATOM 0 H LEU A 71 -5.720 5.456 5.389 1.00 0.80 H new ATOM 0 HA LEU A 71 -6.179 5.424 2.573 1.00 0.78 H new ATOM 0 HB2 LEU A 71 -8.167 4.146 3.224 1.00 1.07 H new ATOM 0 HB3 LEU A 71 -6.743 3.555 4.057 1.00 1.07 H new ATOM 0 HG LEU A 71 -8.150 5.617 5.589 1.00 1.52 H new ATOM 0 HD11 LEU A 71 -10.104 4.141 6.182 1.00 1.65 H new ATOM 0 HD12 LEU A 71 -10.127 4.594 4.461 1.00 1.65 H new ATOM 0 HD13 LEU A 71 -9.573 2.974 4.947 1.00 1.65 H new ATOM 0 HD21 LEU A 71 -8.008 3.934 7.403 1.00 2.64 H new ATOM 0 HD22 LEU A 71 -7.428 2.730 6.228 1.00 2.64 H new ATOM 0 HD23 LEU A 71 -6.442 4.168 6.589 1.00 2.64 H new ATOM 1094 N VAL A 72 -7.043 7.926 2.675 1.00 1.18 N ATOM 1095 CA VAL A 72 -7.799 9.147 2.448 1.00 1.44 C ATOM 1096 C VAL A 72 -9.022 8.903 1.559 1.00 1.64 C ATOM 1097 O VAL A 72 -10.049 9.543 1.759 1.00 2.47 O ATOM 1098 CB VAL A 72 -6.898 10.249 1.865 1.00 1.70 C ATOM 1099 CG1 VAL A 72 -5.683 10.536 2.755 1.00 3.29 C ATOM 1100 CG2 VAL A 72 -6.455 9.969 0.421 1.00 2.72 C ATOM 0 H VAL A 72 -6.079 7.971 2.345 1.00 1.18 H new ATOM 0 HA VAL A 72 -8.169 9.487 3.415 1.00 1.44 H new ATOM 0 HB VAL A 72 -7.520 11.143 1.840 1.00 1.70 H new ATOM 0 HG11 VAL A 72 -5.077 11.321 2.302 1.00 3.29 H new ATOM 0 HG12 VAL A 72 -6.021 10.861 3.739 1.00 3.29 H new ATOM 0 HG13 VAL A 72 -5.085 9.630 2.858 1.00 3.29 H new ATOM 0 HG21 VAL A 72 -5.822 10.784 0.070 1.00 2.72 H new ATOM 0 HG22 VAL A 72 -5.895 9.035 0.387 1.00 2.72 H new ATOM 0 HG23 VAL A 72 -7.333 9.889 -0.220 1.00 2.72 H new