USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 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 21 LYS NZ :NH3+ 169:sc= 0.798 (180deg=-0.556) USER MOD Set 1.2: A 25 SER OG : rot 60:sc= 1.02 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 18 CYS SG : rot -120:sc= 0.16 USER MOD Single : A 13 MET CE :methyl -177:sc= -0.584 (180deg=-0.605) USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.898 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.898 K(o=-0.9,f=-1.5) USER MOD Single : A 24 SER OG : rot 84:sc= 1.08 USER MOD Single : A 27 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.05) USER MOD Single : A 29 HIS : no HE2:sc= -0.197 K(o=-0.2,f=-6.1!) USER MOD Single : A 34 TYR OH : rot -45:sc= 1.2 USER MOD Single : A 35 CYS SG : rot -110:sc= -1.13 USER MOD Single : A 36 SER OG : rot -31:sc= 0.437 USER MOD Single : A 41 THR OG1 : rot -23:sc= 0.735 USER MOD Single : A 42 ASN : amide:sc= 0.904 K(o=0.9,f=-0.0068) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.18) USER MOD Single : A 45 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000484 USER MOD Single : A 60 HIS : no HE2:sc= 0.689 K(o=0.69,f=-12!) USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.953 USER MOD Single : A 64 SER OG : rot 79:sc= 1.2 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -8.762 -2.206 -6.513 1.00 1.11 N ATOM 47 CA VAL A 5 -7.631 -1.344 -6.232 1.00 1.09 C ATOM 48 C VAL A 5 -8.098 -0.319 -5.207 1.00 0.97 C ATOM 49 O VAL A 5 -9.151 0.292 -5.390 1.00 1.33 O ATOM 50 CB VAL A 5 -7.071 -0.718 -7.523 1.00 1.60 C ATOM 51 CG1 VAL A 5 -8.126 0.041 -8.340 1.00 1.70 C ATOM 52 CG2 VAL A 5 -5.903 0.226 -7.207 1.00 3.01 C ATOM 0 HA VAL A 5 -6.794 -1.905 -5.817 1.00 1.09 H new ATOM 0 HB VAL A 5 -6.726 -1.554 -8.132 1.00 1.60 H new ATOM 0 HG11 VAL A 5 -7.663 0.456 -9.235 1.00 1.70 H new ATOM 0 HG12 VAL A 5 -8.925 -0.643 -8.628 1.00 1.70 H new ATOM 0 HG13 VAL A 5 -8.540 0.849 -7.738 1.00 1.70 H new ATOM 0 HG21 VAL A 5 -5.523 0.657 -8.133 1.00 3.01 H new ATOM 0 HG22 VAL A 5 -6.248 1.024 -6.550 1.00 3.01 H new ATOM 0 HG23 VAL A 5 -5.108 -0.332 -6.713 1.00 3.01 H new ATOM 62 N LEU A 6 -7.346 -0.164 -4.117 1.00 0.74 N ATOM 63 CA LEU A 6 -7.645 0.812 -3.081 1.00 0.77 C ATOM 64 C LEU A 6 -6.390 1.635 -2.823 1.00 0.75 C ATOM 65 O LEU A 6 -5.275 1.167 -3.062 1.00 0.72 O ATOM 66 CB LEU A 6 -8.180 0.142 -1.808 1.00 0.99 C ATOM 67 CG LEU A 6 -9.622 -0.380 -1.979 1.00 2.30 C ATOM 68 CD1 LEU A 6 -9.663 -1.852 -2.413 1.00 3.39 C ATOM 69 CD2 LEU A 6 -10.393 -0.224 -0.664 1.00 2.79 C ATOM 0 H LEU A 6 -6.509 -0.717 -3.932 1.00 0.74 H new ATOM 0 HA LEU A 6 -8.442 1.476 -3.416 1.00 0.77 H new ATOM 0 HB2 LEU A 6 -7.527 -0.687 -1.535 1.00 0.99 H new ATOM 0 HB3 LEU A 6 -8.150 0.856 -0.985 1.00 0.99 H new ATOM 0 HG LEU A 6 -10.086 0.215 -2.766 1.00 2.30 H new ATOM 0 HD11 LEU A 6 -10.700 -2.171 -2.519 1.00 3.39 H new ATOM 0 HD12 LEU A 6 -9.149 -1.964 -3.368 1.00 3.39 H new ATOM 0 HD13 LEU A 6 -9.169 -2.467 -1.661 1.00 3.39 H new ATOM 0 HD21 LEU A 6 -11.410 -0.595 -0.792 1.00 2.79 H new ATOM 0 HD22 LEU A 6 -9.895 -0.795 0.120 1.00 2.79 H new ATOM 0 HD23 LEU A 6 -10.423 0.829 -0.383 1.00 2.79 H new ATOM 81 N GLU A 7 -6.600 2.882 -2.396 1.00 0.91 N ATOM 82 CA GLU A 7 -5.581 3.912 -2.357 1.00 0.84 C ATOM 83 C GLU A 7 -5.478 4.488 -0.954 1.00 0.78 C ATOM 84 O GLU A 7 -6.494 4.880 -0.370 1.00 1.14 O ATOM 85 CB GLU A 7 -5.935 5.018 -3.343 1.00 1.03 C ATOM 86 CG GLU A 7 -6.015 4.516 -4.785 1.00 1.12 C ATOM 87 CD GLU A 7 -6.385 5.646 -5.723 1.00 1.69 C ATOM 88 OE1 GLU A 7 -5.557 6.578 -5.845 1.00 2.04 O ATOM 89 OE2 GLU A 7 -7.505 5.568 -6.271 1.00 3.12 O ATOM 0 H GLU A 7 -7.508 3.203 -2.061 1.00 0.91 H new ATOM 0 HA GLU A 7 -4.621 3.476 -2.632 1.00 0.84 H new ATOM 0 HB2 GLU A 7 -6.892 5.458 -3.062 1.00 1.03 H new ATOM 0 HB3 GLU A 7 -5.189 5.810 -3.279 1.00 1.03 H new ATOM 0 HG2 GLU A 7 -5.057 4.090 -5.081 1.00 1.12 H new ATOM 0 HG3 GLU A 7 -6.755 3.719 -4.858 1.00 1.12 H new ATOM 96 N LEU A 8 -4.253 4.545 -0.435 1.00 0.51 N ATOM 97 CA LEU A 8 -3.955 4.944 0.927 1.00 0.54 C ATOM 98 C LEU A 8 -2.716 5.838 0.913 1.00 0.51 C ATOM 99 O LEU A 8 -1.737 5.540 0.226 1.00 0.49 O ATOM 100 CB LEU A 8 -3.789 3.713 1.847 1.00 0.64 C ATOM 101 CG LEU A 8 -3.043 2.540 1.186 1.00 0.65 C ATOM 102 CD1 LEU A 8 -2.179 1.807 2.213 1.00 0.96 C ATOM 103 CD2 LEU A 8 -4.008 1.517 0.566 1.00 1.37 C ATOM 0 H LEU A 8 -3.419 4.306 -0.972 1.00 0.51 H new ATOM 0 HA LEU A 8 -4.788 5.513 1.340 1.00 0.54 H new ATOM 0 HB2 LEU A 8 -3.251 4.013 2.746 1.00 0.64 H new ATOM 0 HB3 LEU A 8 -4.775 3.372 2.164 1.00 0.64 H new ATOM 0 HG LEU A 8 -2.425 2.972 0.399 1.00 0.65 H new ATOM 0 HD11 LEU A 8 -1.659 0.981 1.728 1.00 0.96 H new ATOM 0 HD12 LEU A 8 -1.449 2.498 2.634 1.00 0.96 H new ATOM 0 HD13 LEU A 8 -2.812 1.419 3.010 1.00 0.96 H new ATOM 0 HD21 LEU A 8 -3.437 0.707 0.111 1.00 1.37 H new ATOM 0 HD22 LEU A 8 -4.657 1.112 1.342 1.00 1.37 H new ATOM 0 HD23 LEU A 8 -4.615 2.005 -0.196 1.00 1.37 H new ATOM 115 N VAL A 9 -2.750 6.930 1.678 1.00 0.60 N ATOM 116 CA VAL A 9 -1.604 7.804 1.854 1.00 0.69 C ATOM 117 C VAL A 9 -0.693 7.056 2.817 1.00 0.71 C ATOM 118 O VAL A 9 -1.157 6.644 3.875 1.00 1.04 O ATOM 119 CB VAL A 9 -2.018 9.165 2.443 1.00 1.08 C ATOM 120 CG1 VAL A 9 -0.812 10.111 2.498 1.00 1.27 C ATOM 121 CG2 VAL A 9 -3.109 9.831 1.603 1.00 1.44 C ATOM 0 H VAL A 9 -3.579 7.229 2.192 1.00 0.60 H new ATOM 0 HA VAL A 9 -1.116 8.026 0.905 1.00 0.69 H new ATOM 0 HB VAL A 9 -2.401 8.977 3.446 1.00 1.08 H new ATOM 0 HG11 VAL A 9 -1.120 11.069 2.917 1.00 1.27 H new ATOM 0 HG12 VAL A 9 -0.035 9.674 3.125 1.00 1.27 H new ATOM 0 HG13 VAL A 9 -0.423 10.263 1.491 1.00 1.27 H new ATOM 0 HG21 VAL A 9 -3.377 10.789 2.048 1.00 1.44 H new ATOM 0 HG22 VAL A 9 -2.741 9.992 0.590 1.00 1.44 H new ATOM 0 HG23 VAL A 9 -3.988 9.187 1.572 1.00 1.44 H new ATOM 131 N VAL A 10 0.560 6.828 2.428 1.00 0.56 N ATOM 132 CA VAL A 10 1.554 6.112 3.194 1.00 0.56 C ATOM 133 C VAL A 10 2.538 7.150 3.728 1.00 0.62 C ATOM 134 O VAL A 10 3.696 7.213 3.312 1.00 0.85 O ATOM 135 CB VAL A 10 2.193 5.034 2.303 1.00 0.46 C ATOM 136 CG1 VAL A 10 1.227 3.856 2.135 1.00 0.62 C ATOM 137 CG2 VAL A 10 2.601 5.523 0.908 1.00 0.63 C ATOM 0 H VAL A 10 0.916 7.155 1.530 1.00 0.56 H new ATOM 0 HA VAL A 10 1.136 5.579 4.048 1.00 0.56 H new ATOM 0 HB VAL A 10 3.107 4.739 2.819 1.00 0.46 H new ATOM 0 HG11 VAL A 10 1.686 3.096 1.503 1.00 0.62 H new ATOM 0 HG12 VAL A 10 1.002 3.428 3.112 1.00 0.62 H new ATOM 0 HG13 VAL A 10 0.305 4.205 1.671 1.00 0.62 H new ATOM 0 HG21 VAL A 10 3.043 4.699 0.348 1.00 0.63 H new ATOM 0 HG22 VAL A 10 1.721 5.890 0.380 1.00 0.63 H new ATOM 0 HG23 VAL A 10 3.330 6.328 1.003 1.00 0.63 H new ATOM 147 N ARG A 11 2.070 8.006 4.642 1.00 0.49 N ATOM 148 CA ARG A 11 2.835 9.195 4.978 1.00 0.49 C ATOM 149 C ARG A 11 3.995 8.794 5.885 1.00 0.50 C ATOM 150 O ARG A 11 3.828 7.998 6.809 1.00 0.71 O ATOM 151 CB ARG A 11 1.967 10.331 5.549 1.00 0.67 C ATOM 152 CG ARG A 11 1.204 9.989 6.835 1.00 1.49 C ATOM 153 CD ARG A 11 0.436 11.209 7.369 1.00 1.79 C ATOM 154 NE ARG A 11 1.352 12.290 7.780 1.00 2.82 N ATOM 155 CZ ARG A 11 2.068 12.305 8.919 1.00 4.16 C ATOM 156 NH1 ARG A 11 1.797 11.443 9.894 1.00 4.73 N ATOM 157 NH2 ARG A 11 3.065 13.181 9.080 1.00 5.59 N ATOM 0 H ARG A 11 1.190 7.898 5.146 1.00 0.49 H new ATOM 0 HA ARG A 11 3.246 9.622 4.064 1.00 0.49 H new ATOM 0 HB2 ARG A 11 2.606 11.192 5.743 1.00 0.67 H new ATOM 0 HB3 ARG A 11 1.247 10.634 4.788 1.00 0.67 H new ATOM 0 HG2 ARG A 11 0.507 9.174 6.641 1.00 1.49 H new ATOM 0 HG3 ARG A 11 1.904 9.637 7.593 1.00 1.49 H new ATOM 0 HD2 ARG A 11 -0.242 11.578 6.599 1.00 1.79 H new ATOM 0 HD3 ARG A 11 -0.179 10.910 8.218 1.00 1.79 H new ATOM 0 HE ARG A 11 1.450 13.088 7.152 1.00 2.82 H new ATOM 0 HH11 ARG A 11 1.043 10.766 9.781 1.00 4.73 H new ATOM 0 HH12 ARG A 11 2.343 11.459 10.755 1.00 4.73 H new ATOM 0 HH21 ARG A 11 3.287 13.843 8.337 1.00 5.59 H new ATOM 0 HH22 ARG A 11 3.604 13.187 9.946 1.00 5.59 H new ATOM 171 N GLY A 12 5.187 9.295 5.557 1.00 0.50 N ATOM 172 CA GLY A 12 6.440 8.864 6.147 1.00 0.55 C ATOM 173 C GLY A 12 7.462 8.615 5.041 1.00 0.51 C ATOM 174 O GLY A 12 8.592 9.090 5.131 1.00 0.65 O ATOM 0 H GLY A 12 5.303 10.028 4.857 1.00 0.50 H new ATOM 0 HA2 GLY A 12 6.811 9.623 6.836 1.00 0.55 H new ATOM 0 HA3 GLY A 12 6.287 7.954 6.728 1.00 0.55 H new ATOM 178 N MET A 13 7.074 7.885 3.989 1.00 0.55 N ATOM 179 CA MET A 13 8.004 7.543 2.927 1.00 0.60 C ATOM 180 C MET A 13 8.173 8.742 1.995 1.00 0.75 C ATOM 181 O MET A 13 7.202 9.462 1.748 1.00 1.14 O ATOM 182 CB MET A 13 7.512 6.287 2.208 1.00 1.06 C ATOM 183 CG MET A 13 6.328 6.496 1.268 1.00 0.73 C ATOM 184 SD MET A 13 6.799 6.890 -0.434 1.00 1.36 S ATOM 185 CE MET A 13 5.165 6.751 -1.154 1.00 1.13 C ATOM 0 H MET A 13 6.128 7.526 3.858 1.00 0.55 H new ATOM 0 HA MET A 13 8.990 7.313 3.331 1.00 0.60 H new ATOM 0 HB2 MET A 13 8.340 5.868 1.636 1.00 1.06 H new ATOM 0 HB3 MET A 13 7.234 5.545 2.957 1.00 1.06 H new ATOM 0 HG2 MET A 13 5.716 5.594 1.265 1.00 0.73 H new ATOM 0 HG3 MET A 13 5.706 7.302 1.658 1.00 0.73 H new ATOM 0 HE1 MET A 13 5.228 6.906 -2.231 1.00 1.13 H new ATOM 0 HE2 MET A 13 4.762 5.758 -0.953 1.00 1.13 H new ATOM 0 HE3 MET A 13 4.510 7.504 -0.717 1.00 1.13 H new ATOM 195 N THR A 14 9.392 8.979 1.499 1.00 0.76 N ATOM 196 CA THR A 14 9.673 10.175 0.711 1.00 1.18 C ATOM 197 C THR A 14 10.885 10.025 -0.220 1.00 0.89 C ATOM 198 O THR A 14 11.412 11.040 -0.680 1.00 0.95 O ATOM 199 CB THR A 14 9.788 11.391 1.655 1.00 1.84 C ATOM 200 OG1 THR A 14 9.905 12.589 0.916 1.00 2.72 O ATOM 201 CG2 THR A 14 10.969 11.272 2.626 1.00 1.96 C ATOM 0 H THR A 14 10.192 8.361 1.630 1.00 0.76 H new ATOM 0 HA THR A 14 8.836 10.336 0.031 1.00 1.18 H new ATOM 0 HB THR A 14 8.872 11.411 2.245 1.00 1.84 H new ATOM 0 HG1 THR A 14 10.453 12.430 0.119 1.00 2.72 H new ATOM 0 HG21 THR A 14 11.004 12.153 3.267 1.00 1.96 H new ATOM 0 HG22 THR A 14 10.846 10.381 3.241 1.00 1.96 H new ATOM 0 HG23 THR A 14 11.898 11.197 2.061 1.00 1.96 H new ATOM 209 N CYS A 15 11.322 8.800 -0.536 1.00 0.85 N ATOM 210 CA CYS A 15 12.457 8.576 -1.420 1.00 0.74 C ATOM 211 C CYS A 15 12.396 7.165 -2.002 1.00 0.65 C ATOM 212 O CYS A 15 11.812 6.262 -1.401 1.00 0.52 O ATOM 213 CB CYS A 15 13.781 8.854 -0.693 1.00 0.85 C ATOM 214 SG CYS A 15 13.834 8.460 1.076 1.00 1.47 S ATOM 0 H CYS A 15 10.896 7.943 -0.184 1.00 0.85 H new ATOM 0 HA CYS A 15 12.406 9.277 -2.253 1.00 0.74 H new ATOM 0 HB2 CYS A 15 14.569 8.289 -1.192 1.00 0.85 H new ATOM 0 HB3 CYS A 15 14.021 9.910 -0.814 1.00 0.85 H new ATOM 0 HG CYS A 15 15.011 8.745 1.549 1.00 1.47 H new ATOM 219 N ALA A 16 13.001 7.001 -3.184 1.00 0.78 N ATOM 220 CA ALA A 16 12.974 5.792 -4.005 1.00 0.87 C ATOM 221 C ALA A 16 13.241 4.520 -3.197 1.00 0.85 C ATOM 222 O ALA A 16 12.630 3.482 -3.451 1.00 0.90 O ATOM 223 CB ALA A 16 13.994 5.927 -5.138 1.00 1.09 C ATOM 0 H ALA A 16 13.549 7.747 -3.612 1.00 0.78 H new ATOM 0 HA ALA A 16 11.968 5.693 -4.414 1.00 0.87 H new ATOM 0 HB1 ALA A 16 13.977 5.027 -5.752 1.00 1.09 H new ATOM 0 HB2 ALA A 16 13.742 6.791 -5.753 1.00 1.09 H new ATOM 0 HB3 ALA A 16 14.990 6.059 -4.717 1.00 1.09 H new ATOM 229 N SER A 17 14.151 4.614 -2.222 1.00 0.84 N ATOM 230 CA SER A 17 14.435 3.534 -1.293 1.00 0.92 C ATOM 231 C SER A 17 13.130 2.951 -0.747 1.00 0.92 C ATOM 232 O SER A 17 12.865 1.755 -0.872 1.00 1.25 O ATOM 233 CB SER A 17 15.354 4.033 -0.168 1.00 0.93 C ATOM 234 OG SER A 17 15.818 2.946 0.608 1.00 1.87 O ATOM 0 H SER A 17 14.711 5.451 -2.061 1.00 0.84 H new ATOM 0 HA SER A 17 14.959 2.734 -1.816 1.00 0.92 H new ATOM 0 HB2 SER A 17 16.201 4.572 -0.593 1.00 0.93 H new ATOM 0 HB3 SER A 17 14.814 4.737 0.466 1.00 0.93 H new ATOM 0 HG SER A 17 16.404 3.279 1.320 1.00 1.87 H new ATOM 240 N CYS A 18 12.284 3.810 -0.178 1.00 0.68 N ATOM 241 CA CYS A 18 11.057 3.367 0.447 1.00 0.67 C ATOM 242 C CYS A 18 10.071 2.856 -0.594 1.00 0.62 C ATOM 243 O CYS A 18 9.309 1.942 -0.305 1.00 0.68 O ATOM 244 CB CYS A 18 10.438 4.510 1.237 1.00 0.66 C ATOM 245 SG CYS A 18 11.502 5.262 2.490 1.00 0.80 S ATOM 0 H CYS A 18 12.435 4.818 -0.142 1.00 0.68 H new ATOM 0 HA CYS A 18 11.292 2.546 1.125 1.00 0.67 H new ATOM 0 HB2 CYS A 18 10.128 5.286 0.537 1.00 0.66 H new ATOM 0 HB3 CYS A 18 9.536 4.143 1.726 1.00 0.66 H new ATOM 0 HG CYS A 18 10.943 5.149 3.658 1.00 0.80 H new ATOM 250 N VAL A 19 10.069 3.442 -1.794 1.00 0.58 N ATOM 251 CA VAL A 19 9.149 3.061 -2.853 1.00 0.56 C ATOM 252 C VAL A 19 9.331 1.576 -3.129 1.00 0.66 C ATOM 253 O VAL A 19 8.408 0.774 -2.964 1.00 0.64 O ATOM 254 CB VAL A 19 9.410 3.908 -4.114 1.00 0.59 C ATOM 255 CG1 VAL A 19 8.491 3.531 -5.284 1.00 0.69 C ATOM 256 CG2 VAL A 19 9.244 5.395 -3.797 1.00 0.53 C ATOM 0 H VAL A 19 10.708 4.194 -2.053 1.00 0.58 H new ATOM 0 HA VAL A 19 8.118 3.245 -2.550 1.00 0.56 H new ATOM 0 HB VAL A 19 10.435 3.701 -4.422 1.00 0.59 H new ATOM 0 HG11 VAL A 19 8.720 4.160 -6.144 1.00 0.69 H new ATOM 0 HG12 VAL A 19 8.648 2.485 -5.547 1.00 0.69 H new ATOM 0 HG13 VAL A 19 7.451 3.680 -4.993 1.00 0.69 H new ATOM 0 HG21 VAL A 19 9.431 5.982 -4.696 1.00 0.53 H new ATOM 0 HG22 VAL A 19 8.229 5.581 -3.447 1.00 0.53 H new ATOM 0 HG23 VAL A 19 9.954 5.683 -3.022 1.00 0.53 H new ATOM 266 N HIS A 20 10.549 1.214 -3.535 1.00 0.82 N ATOM 267 CA HIS A 20 10.830 -0.149 -3.902 1.00 0.93 C ATOM 268 C HIS A 20 10.782 -1.070 -2.680 1.00 0.95 C ATOM 269 O HIS A 20 10.383 -2.229 -2.818 1.00 0.96 O ATOM 270 CB HIS A 20 12.093 -0.211 -4.763 1.00 1.11 C ATOM 271 CG HIS A 20 13.374 0.376 -4.225 1.00 1.29 C ATOM 272 ND1 HIS A 20 14.287 1.080 -4.977 1.00 1.55 N ATOM 273 CD2 HIS A 20 13.970 0.086 -3.029 1.00 1.36 C ATOM 274 CE1 HIS A 20 15.404 1.214 -4.243 1.00 1.72 C ATOM 275 NE2 HIS A 20 15.264 0.613 -3.052 1.00 1.60 N ATOM 0 H HIS A 20 11.342 1.850 -3.613 1.00 0.82 H new ATOM 0 HA HIS A 20 10.045 -0.548 -4.544 1.00 0.93 H new ATOM 0 HB2 HIS A 20 12.283 -1.259 -4.994 1.00 1.11 H new ATOM 0 HB3 HIS A 20 11.873 0.288 -5.707 1.00 1.11 H new ATOM 0 HD2 HIS A 20 13.520 -0.455 -2.210 1.00 1.36 H new ATOM 0 HE1 HIS A 20 16.293 1.734 -4.567 1.00 1.72 H new ATOM 0 HE2 HIS A 20 15.963 0.553 -2.311 1.00 1.60 H new ATOM 283 N LYS A 21 11.113 -0.571 -1.477 1.00 1.00 N ATOM 284 CA LYS A 21 10.889 -1.321 -0.261 1.00 1.08 C ATOM 285 C LYS A 21 9.415 -1.693 -0.142 1.00 0.94 C ATOM 286 O LYS A 21 9.110 -2.877 -0.057 1.00 1.09 O ATOM 287 CB LYS A 21 11.395 -0.540 0.964 1.00 1.23 C ATOM 288 CG LYS A 21 11.927 -1.472 2.052 1.00 1.34 C ATOM 289 CD LYS A 21 10.833 -2.135 2.909 1.00 2.60 C ATOM 290 CE LYS A 21 11.357 -3.431 3.547 1.00 3.99 C ATOM 291 NZ LYS A 21 10.341 -4.112 4.382 1.00 5.63 N ATOM 0 H LYS A 21 11.535 0.347 -1.336 1.00 1.00 H new ATOM 0 HA LYS A 21 11.461 -2.248 -0.301 1.00 1.08 H new ATOM 0 HB2 LYS A 21 12.183 0.147 0.657 1.00 1.23 H new ATOM 0 HB3 LYS A 21 10.584 0.066 1.369 1.00 1.23 H new ATOM 0 HG2 LYS A 21 12.528 -2.252 1.584 1.00 1.34 H new ATOM 0 HG3 LYS A 21 12.591 -0.907 2.706 1.00 1.34 H new ATOM 0 HD2 LYS A 21 10.506 -1.446 3.688 1.00 2.60 H new ATOM 0 HD3 LYS A 21 9.962 -2.354 2.291 1.00 2.60 H new ATOM 0 HE2 LYS A 21 11.688 -4.109 2.761 1.00 3.99 H new ATOM 0 HE3 LYS A 21 12.229 -3.202 4.159 1.00 3.99 H new ATOM 0 HZ1 LYS A 21 10.679 -5.063 4.634 1.00 5.63 H new ATOM 0 HZ2 LYS A 21 10.179 -3.561 5.249 1.00 5.63 H new ATOM 0 HZ3 LYS A 21 9.451 -4.191 3.850 1.00 5.63 H new ATOM 305 N ILE A 22 8.503 -0.717 -0.112 1.00 0.69 N ATOM 306 CA ILE A 22 7.074 -0.970 0.033 1.00 0.59 C ATOM 307 C ILE A 22 6.642 -1.987 -1.016 1.00 0.50 C ATOM 308 O ILE A 22 6.046 -3.010 -0.672 1.00 0.50 O ATOM 309 CB ILE A 22 6.256 0.334 -0.067 1.00 0.57 C ATOM 310 CG1 ILE A 22 6.562 1.241 1.130 1.00 0.62 C ATOM 311 CG2 ILE A 22 4.756 0.004 -0.051 1.00 0.73 C ATOM 312 CD1 ILE A 22 6.219 2.714 0.893 1.00 0.99 C ATOM 0 H ILE A 22 8.740 0.272 -0.188 1.00 0.69 H new ATOM 0 HA ILE A 22 6.881 -1.379 1.025 1.00 0.59 H new ATOM 0 HB ILE A 22 6.523 0.841 -0.994 1.00 0.57 H new ATOM 0 HG12 ILE A 22 6.006 0.883 1.997 1.00 0.62 H new ATOM 0 HG13 ILE A 22 7.621 1.159 1.375 1.00 0.62 H new ATOM 0 HG21 ILE A 22 4.180 0.927 -0.122 1.00 0.73 H new ATOM 0 HG22 ILE A 22 4.516 -0.640 -0.897 1.00 0.73 H new ATOM 0 HG23 ILE A 22 4.506 -0.509 0.877 1.00 0.73 H new ATOM 0 HD11 ILE A 22 6.463 3.292 1.784 1.00 0.99 H new ATOM 0 HD12 ILE A 22 6.795 3.090 0.047 1.00 0.99 H new ATOM 0 HD13 ILE A 22 5.155 2.810 0.679 1.00 0.99 H new ATOM 324 N GLU A 23 6.990 -1.714 -2.275 1.00 0.51 N ATOM 325 CA GLU A 23 6.653 -2.572 -3.395 1.00 0.58 C ATOM 326 C GLU A 23 7.062 -4.022 -3.108 1.00 0.55 C ATOM 327 O GLU A 23 6.207 -4.901 -2.974 1.00 0.54 O ATOM 328 CB GLU A 23 7.285 -2.000 -4.673 1.00 0.78 C ATOM 329 CG GLU A 23 6.493 -2.404 -5.919 1.00 2.13 C ATOM 330 CD GLU A 23 7.140 -1.902 -7.207 1.00 2.38 C ATOM 331 OE1 GLU A 23 8.096 -1.106 -7.099 1.00 2.64 O ATOM 332 OE2 GLU A 23 6.656 -2.321 -8.281 1.00 3.30 O ATOM 0 H GLU A 23 7.518 -0.882 -2.540 1.00 0.51 H new ATOM 0 HA GLU A 23 5.574 -2.594 -3.546 1.00 0.58 H new ATOM 0 HB2 GLU A 23 7.328 -0.913 -4.604 1.00 0.78 H new ATOM 0 HB3 GLU A 23 8.312 -2.354 -4.762 1.00 0.78 H new ATOM 0 HG2 GLU A 23 6.409 -3.490 -5.957 1.00 2.13 H new ATOM 0 HG3 GLU A 23 5.480 -2.009 -5.846 1.00 2.13 H new ATOM 339 N SER A 24 8.366 -4.265 -2.964 1.00 0.63 N ATOM 340 CA SER A 24 8.922 -5.597 -2.751 1.00 0.68 C ATOM 341 C SER A 24 8.339 -6.246 -1.492 1.00 0.70 C ATOM 342 O SER A 24 8.036 -7.435 -1.455 1.00 0.83 O ATOM 343 CB SER A 24 10.447 -5.497 -2.633 1.00 0.78 C ATOM 344 OG SER A 24 10.990 -4.771 -3.719 1.00 1.97 O ATOM 0 H SER A 24 9.073 -3.530 -2.993 1.00 0.63 H new ATOM 0 HA SER A 24 8.658 -6.224 -3.603 1.00 0.68 H new ATOM 0 HB2 SER A 24 10.712 -5.009 -1.695 1.00 0.78 H new ATOM 0 HB3 SER A 24 10.880 -6.497 -2.606 1.00 0.78 H new ATOM 0 HG SER A 24 10.932 -3.811 -3.532 1.00 1.97 H new ATOM 350 N SER A 25 8.219 -5.451 -0.430 1.00 0.67 N ATOM 351 CA SER A 25 7.799 -5.900 0.884 1.00 0.80 C ATOM 352 C SER A 25 6.339 -6.361 0.839 1.00 0.81 C ATOM 353 O SER A 25 6.002 -7.350 1.491 1.00 1.02 O ATOM 354 CB SER A 25 8.081 -4.775 1.892 1.00 0.97 C ATOM 355 OG SER A 25 8.099 -5.188 3.249 1.00 1.44 O ATOM 0 H SER A 25 8.418 -4.451 -0.467 1.00 0.67 H new ATOM 0 HA SER A 25 8.364 -6.772 1.213 1.00 0.80 H new ATOM 0 HB2 SER A 25 9.043 -4.322 1.651 1.00 0.97 H new ATOM 0 HB3 SER A 25 7.324 -4.000 1.772 1.00 0.97 H new ATOM 0 HG SER A 25 8.796 -5.865 3.376 1.00 1.44 H new ATOM 361 N LEU A 26 5.471 -5.666 0.096 1.00 0.71 N ATOM 362 CA LEU A 26 4.100 -6.114 -0.126 1.00 0.84 C ATOM 363 C LEU A 26 4.034 -7.323 -1.059 1.00 0.89 C ATOM 364 O LEU A 26 3.415 -8.324 -0.689 1.00 1.12 O ATOM 365 CB LEU A 26 3.223 -4.977 -0.659 1.00 0.83 C ATOM 366 CG LEU A 26 2.899 -3.933 0.417 1.00 0.96 C ATOM 367 CD1 LEU A 26 2.359 -2.683 -0.268 1.00 2.01 C ATOM 368 CD2 LEU A 26 1.846 -4.414 1.420 1.00 1.77 C ATOM 0 H LEU A 26 5.700 -4.785 -0.363 1.00 0.71 H new ATOM 0 HA LEU A 26 3.711 -6.425 0.844 1.00 0.84 H new ATOM 0 HB2 LEU A 26 3.731 -4.490 -1.492 1.00 0.83 H new ATOM 0 HB3 LEU A 26 2.294 -5.392 -1.050 1.00 0.83 H new ATOM 0 HG LEU A 26 3.820 -3.739 0.967 1.00 0.96 H new ATOM 0 HD11 LEU A 26 2.123 -1.929 0.483 1.00 2.01 H new ATOM 0 HD12 LEU A 26 3.110 -2.290 -0.953 1.00 2.01 H new ATOM 0 HD13 LEU A 26 1.457 -2.935 -0.825 1.00 2.01 H new ATOM 0 HD21 LEU A 26 1.660 -3.631 2.156 1.00 1.77 H new ATOM 0 HD22 LEU A 26 0.920 -4.644 0.893 1.00 1.77 H new ATOM 0 HD23 LEU A 26 2.208 -5.309 1.926 1.00 1.77 H new ATOM 380 N THR A 27 4.613 -7.208 -2.265 1.00 0.69 N ATOM 381 CA THR A 27 4.431 -8.146 -3.378 1.00 0.67 C ATOM 382 C THR A 27 4.974 -9.548 -3.063 1.00 0.95 C ATOM 383 O THR A 27 6.008 -9.981 -3.564 1.00 1.64 O ATOM 384 CB THR A 27 4.990 -7.571 -4.693 1.00 0.81 C ATOM 385 OG1 THR A 27 6.325 -7.137 -4.555 1.00 1.62 O ATOM 386 CG2 THR A 27 4.140 -6.396 -5.192 1.00 1.30 C ATOM 0 H THR A 27 5.238 -6.436 -2.497 1.00 0.69 H new ATOM 0 HA THR A 27 3.358 -8.274 -3.519 1.00 0.67 H new ATOM 0 HB THR A 27 4.956 -8.383 -5.419 1.00 0.81 H new ATOM 0 HG1 THR A 27 6.343 -6.281 -4.078 1.00 1.62 H new ATOM 0 HG21 THR A 27 4.560 -6.012 -6.122 1.00 1.30 H new ATOM 0 HG22 THR A 27 3.119 -6.734 -5.368 1.00 1.30 H new ATOM 0 HG23 THR A 27 4.136 -5.605 -4.442 1.00 1.30 H new ATOM 394 N LYS A 28 4.219 -10.260 -2.230 1.00 1.13 N ATOM 395 CA LYS A 28 4.512 -11.570 -1.676 1.00 1.31 C ATOM 396 C LYS A 28 3.314 -12.078 -0.863 1.00 1.05 C ATOM 397 O LYS A 28 3.030 -13.273 -0.881 1.00 1.13 O ATOM 398 CB LYS A 28 5.795 -11.545 -0.819 1.00 1.68 C ATOM 399 CG LYS A 28 5.657 -10.728 0.475 1.00 1.77 C ATOM 400 CD LYS A 28 6.993 -10.655 1.228 1.00 2.32 C ATOM 401 CE LYS A 28 6.793 -10.501 2.744 1.00 3.01 C ATOM 402 NZ LYS A 28 5.802 -9.460 3.083 1.00 3.68 N ATOM 0 H LYS A 28 3.320 -9.905 -1.903 1.00 1.13 H new ATOM 0 HA LYS A 28 4.689 -12.259 -2.502 1.00 1.31 H new ATOM 0 HB2 LYS A 28 6.071 -12.568 -0.565 1.00 1.68 H new ATOM 0 HB3 LYS A 28 6.610 -11.133 -1.413 1.00 1.68 H new ATOM 0 HG2 LYS A 28 5.314 -9.721 0.238 1.00 1.77 H new ATOM 0 HG3 LYS A 28 4.899 -11.180 1.115 1.00 1.77 H new ATOM 0 HD2 LYS A 28 7.571 -11.557 1.029 1.00 2.32 H new ATOM 0 HD3 LYS A 28 7.575 -9.814 0.852 1.00 2.32 H new ATOM 0 HE2 LYS A 28 6.471 -11.454 3.163 1.00 3.01 H new ATOM 0 HE3 LYS A 28 7.747 -10.254 3.209 1.00 3.01 H new ATOM 0 HZ1 LYS A 28 5.791 -9.313 4.113 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 6.057 -8.570 2.609 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 4.859 -9.762 2.766 1.00 3.68 H new ATOM 416 N HIS A 29 2.650 -11.201 -0.092 1.00 0.92 N ATOM 417 CA HIS A 29 1.616 -11.650 0.830 1.00 1.10 C ATOM 418 C HIS A 29 0.333 -12.046 0.105 1.00 1.10 C ATOM 419 O HIS A 29 0.179 -11.815 -1.092 1.00 1.47 O ATOM 420 CB HIS A 29 1.357 -10.599 1.913 1.00 1.55 C ATOM 421 CG HIS A 29 0.644 -9.345 1.493 1.00 0.84 C ATOM 422 ND1 HIS A 29 -0.701 -9.245 1.231 1.00 1.28 N ATOM 423 CD2 HIS A 29 1.133 -8.073 1.614 1.00 0.81 C ATOM 424 CE1 HIS A 29 -1.007 -7.943 1.168 1.00 1.86 C ATOM 425 NE2 HIS A 29 0.079 -7.185 1.384 1.00 1.47 N ATOM 0 H HIS A 29 2.813 -10.194 -0.094 1.00 0.92 H new ATOM 0 HA HIS A 29 1.984 -12.551 1.321 1.00 1.10 H new ATOM 0 HB2 HIS A 29 0.777 -11.068 2.708 1.00 1.55 H new ATOM 0 HB3 HIS A 29 2.317 -10.314 2.344 1.00 1.55 H new ATOM 0 HD1 HIS A 29 -1.350 -10.022 1.107 1.00 1.28 H new ATOM 0 HD2 HIS A 29 2.153 -7.803 1.846 1.00 0.81 H new ATOM 0 HE1 HIS A 29 -1.995 -7.555 0.970 1.00 1.86 H new ATOM 433 N ARG A 30 -0.608 -12.616 0.863 1.00 1.72 N ATOM 434 CA ARG A 30 -1.901 -13.016 0.341 1.00 2.24 C ATOM 435 C ARG A 30 -2.560 -11.861 -0.419 1.00 1.78 C ATOM 436 O ARG A 30 -2.678 -10.755 0.104 1.00 2.99 O ATOM 437 CB ARG A 30 -2.801 -13.559 1.468 1.00 3.29 C ATOM 438 CG ARG A 30 -3.046 -12.597 2.647 1.00 5.59 C ATOM 439 CD ARG A 30 -4.113 -13.176 3.582 1.00 6.86 C ATOM 440 NE ARG A 30 -4.432 -12.279 4.712 1.00 8.91 N ATOM 441 CZ ARG A 30 -5.397 -12.519 5.615 1.00 10.23 C ATOM 442 NH1 ARG A 30 -6.148 -13.621 5.530 1.00 9.81 N ATOM 443 NH2 ARG A 30 -5.590 -11.652 6.608 1.00 12.15 N ATOM 0 H ARG A 30 -0.486 -12.810 1.857 1.00 1.72 H new ATOM 0 HA ARG A 30 -1.754 -13.828 -0.372 1.00 2.24 H new ATOM 0 HB2 ARG A 30 -3.765 -13.832 1.039 1.00 3.29 H new ATOM 0 HB3 ARG A 30 -2.354 -14.474 1.856 1.00 3.29 H new ATOM 0 HG2 ARG A 30 -2.118 -12.437 3.196 1.00 5.59 H new ATOM 0 HG3 ARG A 30 -3.367 -11.625 2.273 1.00 5.59 H new ATOM 0 HD2 ARG A 30 -5.021 -13.372 3.012 1.00 6.86 H new ATOM 0 HD3 ARG A 30 -3.768 -14.134 3.971 1.00 6.86 H new ATOM 0 HE ARG A 30 -3.885 -11.424 4.813 1.00 8.91 H new ATOM 0 HH11 ARG A 30 -5.991 -14.288 4.775 1.00 9.81 H new ATOM 0 HH12 ARG A 30 -6.878 -13.795 6.220 1.00 9.81 H new ATOM 0 HH21 ARG A 30 -5.008 -10.817 6.676 1.00 12.15 H new ATOM 0 HH22 ARG A 30 -6.320 -11.823 7.300 1.00 12.15 H new ATOM 457 N GLY A 31 -2.991 -12.111 -1.651 1.00 0.72 N ATOM 458 CA GLY A 31 -3.979 -11.276 -2.303 1.00 0.75 C ATOM 459 C GLY A 31 -3.488 -9.941 -2.863 1.00 0.57 C ATOM 460 O GLY A 31 -4.214 -9.359 -3.664 1.00 0.74 O ATOM 0 H GLY A 31 -2.665 -12.894 -2.218 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.420 -11.846 -3.120 1.00 0.75 H new ATOM 0 HA3 GLY A 31 -4.777 -11.073 -1.589 1.00 0.75 H new ATOM 464 N ILE A 32 -2.302 -9.417 -2.508 1.00 0.64 N ATOM 465 CA ILE A 32 -1.841 -8.205 -3.141 1.00 0.71 C ATOM 466 C ILE A 32 -1.336 -8.531 -4.547 1.00 0.91 C ATOM 467 O ILE A 32 -0.299 -9.170 -4.708 1.00 1.30 O ATOM 468 CB ILE A 32 -0.804 -7.529 -2.236 1.00 0.89 C ATOM 469 CG1 ILE A 32 -0.461 -6.144 -2.748 1.00 0.99 C ATOM 470 CG2 ILE A 32 0.455 -8.318 -1.904 1.00 2.13 C ATOM 471 CD1 ILE A 32 0.767 -6.030 -3.655 1.00 2.13 C ATOM 0 H ILE A 32 -1.674 -9.811 -1.807 1.00 0.64 H new ATOM 0 HA ILE A 32 -2.649 -7.485 -3.270 1.00 0.71 H new ATOM 0 HB ILE A 32 -1.314 -7.467 -1.275 1.00 0.89 H new ATOM 0 HG12 ILE A 32 -1.323 -5.760 -3.293 1.00 0.99 H new ATOM 0 HG13 ILE A 32 -0.311 -5.491 -1.888 1.00 0.99 H new ATOM 0 HG21 ILE A 32 1.099 -7.721 -1.258 1.00 2.13 H new ATOM 0 HG22 ILE A 32 0.182 -9.241 -1.392 1.00 2.13 H new ATOM 0 HG23 ILE A 32 0.987 -8.558 -2.824 1.00 2.13 H new ATOM 0 HD11 ILE A 32 0.904 -4.990 -3.953 1.00 2.13 H new ATOM 0 HD12 ILE A 32 1.650 -6.373 -3.116 1.00 2.13 H new ATOM 0 HD13 ILE A 32 0.622 -6.645 -4.543 1.00 2.13 H new ATOM 483 N LEU A 33 -2.073 -8.100 -5.575 1.00 0.77 N ATOM 484 CA LEU A 33 -1.693 -8.385 -6.948 1.00 0.92 C ATOM 485 C LEU A 33 -0.577 -7.436 -7.365 1.00 1.03 C ATOM 486 O LEU A 33 0.361 -7.867 -8.032 1.00 1.21 O ATOM 487 CB LEU A 33 -2.880 -8.262 -7.915 1.00 1.02 C ATOM 488 CG LEU A 33 -4.118 -9.086 -7.527 1.00 1.45 C ATOM 489 CD1 LEU A 33 -5.209 -8.842 -8.576 1.00 1.96 C ATOM 490 CD2 LEU A 33 -3.803 -10.584 -7.450 1.00 2.52 C ATOM 0 H LEU A 33 -2.930 -7.556 -5.476 1.00 0.77 H new ATOM 0 HA LEU A 33 -1.347 -9.417 -6.996 1.00 0.92 H new ATOM 0 HB2 LEU A 33 -3.167 -7.213 -7.984 1.00 1.02 H new ATOM 0 HB3 LEU A 33 -2.554 -8.569 -8.909 1.00 1.02 H new ATOM 0 HG LEU A 33 -4.452 -8.771 -6.538 1.00 1.45 H new ATOM 0 HD11 LEU A 33 -6.097 -9.419 -8.318 1.00 1.96 H new ATOM 0 HD12 LEU A 33 -5.460 -7.781 -8.600 1.00 1.96 H new ATOM 0 HD13 LEU A 33 -4.847 -9.152 -9.556 1.00 1.96 H new ATOM 0 HD21 LEU A 33 -4.704 -11.131 -7.173 1.00 2.52 H new ATOM 0 HD22 LEU A 33 -3.451 -10.932 -8.421 1.00 2.52 H new ATOM 0 HD23 LEU A 33 -3.030 -10.755 -6.701 1.00 2.52 H new ATOM 502 N TYR A 34 -0.660 -6.146 -7.006 1.00 0.93 N ATOM 503 CA TYR A 34 0.408 -5.224 -7.334 1.00 1.03 C ATOM 504 C TYR A 34 0.358 -4.040 -6.383 1.00 0.88 C ATOM 505 O TYR A 34 -0.675 -3.782 -5.763 1.00 0.97 O ATOM 506 CB TYR A 34 0.341 -4.796 -8.810 1.00 1.24 C ATOM 507 CG TYR A 34 1.565 -4.043 -9.299 1.00 1.53 C ATOM 508 CD1 TYR A 34 2.852 -4.574 -9.087 1.00 2.80 C ATOM 509 CD2 TYR A 34 1.428 -2.790 -9.926 1.00 1.67 C ATOM 510 CE1 TYR A 34 3.989 -3.795 -9.358 1.00 3.19 C ATOM 511 CE2 TYR A 34 2.571 -2.076 -10.323 1.00 1.88 C ATOM 512 CZ TYR A 34 3.847 -2.529 -9.951 1.00 2.32 C ATOM 513 OH TYR A 34 4.935 -1.742 -10.170 1.00 2.74 O ATOM 0 H TYR A 34 -1.444 -5.735 -6.499 1.00 0.93 H new ATOM 0 HA TYR A 34 1.370 -5.721 -7.207 1.00 1.03 H new ATOM 0 HB2 TYR A 34 0.204 -5.684 -9.428 1.00 1.24 H new ATOM 0 HB3 TYR A 34 -0.539 -4.169 -8.955 1.00 1.24 H new ATOM 0 HD1 TYR A 34 2.965 -5.582 -8.715 1.00 2.80 H new ATOM 0 HD2 TYR A 34 0.445 -2.378 -10.102 1.00 1.67 H new ATOM 0 HE1 TYR A 34 4.972 -4.169 -9.111 1.00 3.19 H new ATOM 0 HE2 TYR A 34 2.468 -1.178 -10.915 1.00 1.88 H new ATOM 0 HH TYR A 34 5.503 -1.739 -9.371 1.00 2.74 H new ATOM 523 N CYS A 35 1.488 -3.351 -6.265 1.00 0.80 N ATOM 524 CA CYS A 35 1.690 -2.185 -5.433 1.00 0.81 C ATOM 525 C CYS A 35 2.190 -1.079 -6.349 1.00 0.79 C ATOM 526 O CYS A 35 3.002 -1.346 -7.234 1.00 0.99 O ATOM 527 CB CYS A 35 2.767 -2.516 -4.395 1.00 0.94 C ATOM 528 SG CYS A 35 3.277 -0.995 -3.573 1.00 2.23 S ATOM 0 H CYS A 35 2.330 -3.611 -6.779 1.00 0.80 H new ATOM 0 HA CYS A 35 0.776 -1.883 -4.921 1.00 0.81 H new ATOM 0 HB2 CYS A 35 2.380 -3.227 -3.665 1.00 0.94 H new ATOM 0 HB3 CYS A 35 3.623 -2.988 -4.878 1.00 0.94 H new ATOM 0 HG CYS A 35 4.488 -0.691 -3.936 1.00 2.23 H new ATOM 534 N SER A 36 1.716 0.153 -6.180 1.00 0.74 N ATOM 535 CA SER A 36 2.352 1.293 -6.815 1.00 0.81 C ATOM 536 C SER A 36 2.257 2.480 -5.872 1.00 0.70 C ATOM 537 O SER A 36 1.175 3.056 -5.737 1.00 0.79 O ATOM 538 CB SER A 36 1.672 1.592 -8.150 1.00 1.22 C ATOM 539 OG SER A 36 1.624 0.427 -8.945 1.00 2.26 O ATOM 0 H SER A 36 0.900 0.382 -5.612 1.00 0.74 H new ATOM 0 HA SER A 36 3.401 1.080 -7.020 1.00 0.81 H new ATOM 0 HB2 SER A 36 0.662 1.964 -7.977 1.00 1.22 H new ATOM 0 HB3 SER A 36 2.216 2.377 -8.675 1.00 1.22 H new ATOM 0 HG SER A 36 2.399 -0.138 -8.745 1.00 2.26 H new ATOM 545 N VAL A 37 3.368 2.834 -5.214 1.00 0.71 N ATOM 546 CA VAL A 37 3.442 4.043 -4.416 1.00 0.70 C ATOM 547 C VAL A 37 4.184 5.147 -5.159 1.00 0.70 C ATOM 548 O VAL A 37 5.200 4.886 -5.801 1.00 0.83 O ATOM 549 CB VAL A 37 3.991 3.749 -3.012 1.00 0.95 C ATOM 550 CG1 VAL A 37 3.477 2.415 -2.463 1.00 1.96 C ATOM 551 CG2 VAL A 37 5.517 3.693 -2.947 1.00 1.37 C ATOM 0 H VAL A 37 4.230 2.288 -5.225 1.00 0.71 H new ATOM 0 HA VAL A 37 2.433 4.425 -4.259 1.00 0.70 H new ATOM 0 HB VAL A 37 3.634 4.586 -2.412 1.00 0.95 H new ATOM 0 HG11 VAL A 37 3.890 2.247 -1.468 1.00 1.96 H new ATOM 0 HG12 VAL A 37 2.389 2.441 -2.404 1.00 1.96 H new ATOM 0 HG13 VAL A 37 3.786 1.606 -3.125 1.00 1.96 H new ATOM 0 HG21 VAL A 37 5.830 3.481 -1.925 1.00 1.37 H new ATOM 0 HG22 VAL A 37 5.881 2.906 -3.608 1.00 1.37 H new ATOM 0 HG23 VAL A 37 5.930 4.651 -3.262 1.00 1.37 H new ATOM 561 N ALA A 38 3.671 6.378 -5.069 1.00 0.74 N ATOM 562 CA ALA A 38 4.344 7.567 -5.562 1.00 0.78 C ATOM 563 C ALA A 38 4.577 8.527 -4.404 1.00 0.72 C ATOM 564 O ALA A 38 3.684 8.779 -3.591 1.00 0.69 O ATOM 565 CB ALA A 38 3.543 8.236 -6.672 1.00 0.90 C ATOM 0 H ALA A 38 2.764 6.571 -4.645 1.00 0.74 H new ATOM 0 HA ALA A 38 5.304 7.278 -5.989 1.00 0.78 H new ATOM 0 HB1 ALA A 38 4.073 9.123 -7.020 1.00 0.90 H new ATOM 0 HB2 ALA A 38 3.418 7.540 -7.501 1.00 0.90 H new ATOM 0 HB3 ALA A 38 2.564 8.525 -6.290 1.00 0.90 H new ATOM 571 N LEU A 39 5.802 9.043 -4.329 1.00 0.72 N ATOM 572 CA LEU A 39 6.286 9.797 -3.183 1.00 0.70 C ATOM 573 C LEU A 39 5.807 11.246 -3.228 1.00 0.82 C ATOM 574 O LEU A 39 5.488 11.815 -2.192 1.00 0.87 O ATOM 575 CB LEU A 39 7.804 9.635 -3.036 1.00 0.91 C ATOM 576 CG LEU A 39 8.646 10.306 -4.135 1.00 1.02 C ATOM 577 CD1 LEU A 39 9.098 11.707 -3.699 1.00 1.96 C ATOM 578 CD2 LEU A 39 9.886 9.450 -4.404 1.00 1.58 C ATOM 0 H LEU A 39 6.492 8.946 -5.074 1.00 0.72 H new ATOM 0 HA LEU A 39 5.852 9.386 -2.271 1.00 0.70 H new ATOM 0 HB2 LEU A 39 8.105 10.043 -2.071 1.00 0.91 H new ATOM 0 HB3 LEU A 39 8.039 8.571 -3.020 1.00 0.91 H new ATOM 0 HG LEU A 39 8.037 10.397 -5.034 1.00 1.02 H new ATOM 0 HD11 LEU A 39 9.692 12.161 -4.492 1.00 1.96 H new ATOM 0 HD12 LEU A 39 8.223 12.326 -3.501 1.00 1.96 H new ATOM 0 HD13 LEU A 39 9.701 11.630 -2.794 1.00 1.96 H new ATOM 0 HD21 LEU A 39 10.489 9.918 -5.182 1.00 1.58 H new ATOM 0 HD22 LEU A 39 10.474 9.365 -3.490 1.00 1.58 H new ATOM 0 HD23 LEU A 39 9.578 8.457 -4.731 1.00 1.58 H new ATOM 590 N ALA A 40 5.675 11.826 -4.427 1.00 1.01 N ATOM 591 CA ALA A 40 5.188 13.192 -4.605 1.00 1.29 C ATOM 592 C ALA A 40 3.829 13.417 -3.929 1.00 1.10 C ATOM 593 O ALA A 40 3.552 14.505 -3.435 1.00 1.29 O ATOM 594 CB ALA A 40 5.107 13.508 -6.101 1.00 1.62 C ATOM 0 H ALA A 40 5.905 11.356 -5.302 1.00 1.01 H new ATOM 0 HA ALA A 40 5.893 13.869 -4.122 1.00 1.29 H new ATOM 0 HB1 ALA A 40 4.744 14.527 -6.239 1.00 1.62 H new ATOM 0 HB2 ALA A 40 6.097 13.412 -6.547 1.00 1.62 H new ATOM 0 HB3 ALA A 40 4.422 12.811 -6.584 1.00 1.62 H new ATOM 600 N THR A 41 2.983 12.383 -3.924 1.00 0.83 N ATOM 601 CA THR A 41 1.674 12.372 -3.276 1.00 0.74 C ATOM 602 C THR A 41 1.694 11.553 -1.978 1.00 0.70 C ATOM 603 O THR A 41 0.649 11.368 -1.357 1.00 0.84 O ATOM 604 CB THR A 41 0.649 11.839 -4.288 1.00 1.00 C ATOM 605 OG1 THR A 41 -0.646 11.698 -3.733 1.00 2.05 O ATOM 606 CG2 THR A 41 1.068 10.522 -4.951 1.00 2.10 C ATOM 0 H THR A 41 3.201 11.501 -4.388 1.00 0.83 H new ATOM 0 HA THR A 41 1.394 13.383 -2.979 1.00 0.74 H new ATOM 0 HB THR A 41 0.616 12.605 -5.063 1.00 1.00 H new ATOM 0 HG1 THR A 41 -0.577 11.608 -2.760 1.00 2.05 H new ATOM 0 HG21 THR A 41 0.296 10.206 -5.653 1.00 2.10 H new ATOM 0 HG22 THR A 41 2.007 10.666 -5.485 1.00 2.10 H new ATOM 0 HG23 THR A 41 1.199 9.756 -4.187 1.00 2.10 H new ATOM 614 N ASN A 42 2.867 11.037 -1.609 1.00 0.68 N ATOM 615 CA ASN A 42 3.117 10.110 -0.509 1.00 0.67 C ATOM 616 C ASN A 42 2.029 9.032 -0.429 1.00 0.65 C ATOM 617 O ASN A 42 1.530 8.737 0.657 1.00 0.71 O ATOM 618 CB ASN A 42 3.272 10.858 0.826 1.00 0.74 C ATOM 619 CG ASN A 42 4.340 11.949 0.782 1.00 1.00 C ATOM 620 OD1 ASN A 42 4.020 13.114 0.576 1.00 1.94 O ATOM 621 ND2 ASN A 42 5.609 11.609 1.001 1.00 1.38 N ATOM 0 H ASN A 42 3.726 11.273 -2.106 1.00 0.68 H new ATOM 0 HA ASN A 42 4.061 9.604 -0.711 1.00 0.67 H new ATOM 0 HB2 ASN A 42 2.316 11.305 1.098 1.00 0.74 H new ATOM 0 HB3 ASN A 42 3.524 10.143 1.609 1.00 0.74 H new ATOM 0 HD21 ASN A 42 6.336 12.324 0.999 1.00 1.38 H new ATOM 0 HD22 ASN A 42 5.854 10.633 1.170 1.00 1.38 H new ATOM 628 N LYS A 43 1.635 8.455 -1.572 1.00 0.66 N ATOM 629 CA LYS A 43 0.413 7.659 -1.670 1.00 0.70 C ATOM 630 C LYS A 43 0.644 6.379 -2.461 1.00 0.62 C ATOM 631 O LYS A 43 1.281 6.402 -3.513 1.00 0.91 O ATOM 632 CB LYS A 43 -0.731 8.512 -2.244 1.00 1.16 C ATOM 633 CG LYS A 43 -2.075 7.771 -2.358 1.00 2.38 C ATOM 634 CD LYS A 43 -2.492 7.520 -3.815 1.00 2.00 C ATOM 635 CE LYS A 43 -3.067 8.794 -4.457 1.00 1.75 C ATOM 636 NZ LYS A 43 -3.803 8.501 -5.705 1.00 1.71 N ATOM 0 H LYS A 43 2.153 8.528 -2.447 1.00 0.66 H new ATOM 0 HA LYS A 43 0.117 7.346 -0.669 1.00 0.70 H new ATOM 0 HB2 LYS A 43 -0.866 9.391 -1.613 1.00 1.16 H new ATOM 0 HB3 LYS A 43 -0.442 8.870 -3.232 1.00 1.16 H new ATOM 0 HG2 LYS A 43 -2.005 6.817 -1.835 1.00 2.38 H new ATOM 0 HG3 LYS A 43 -2.849 8.353 -1.858 1.00 2.38 H new ATOM 0 HD2 LYS A 43 -1.631 7.178 -4.389 1.00 2.00 H new ATOM 0 HD3 LYS A 43 -3.236 6.724 -3.851 1.00 2.00 H new ATOM 0 HE2 LYS A 43 -3.734 9.287 -3.750 1.00 1.75 H new ATOM 0 HE3 LYS A 43 -2.256 9.491 -4.669 1.00 1.75 H new ATOM 0 HZ1 LYS A 43 -4.505 9.249 -5.878 1.00 1.71 H new ATOM 0 HZ2 LYS A 43 -3.135 8.462 -6.501 1.00 1.71 H new ATOM 0 HZ3 LYS A 43 -4.288 7.585 -5.615 1.00 1.71 H new ATOM 650 N ALA A 44 0.098 5.281 -1.931 1.00 0.50 N ATOM 651 CA ALA A 44 0.049 3.964 -2.531 1.00 0.57 C ATOM 652 C ALA A 44 -1.313 3.760 -3.176 1.00 0.69 C ATOM 653 O ALA A 44 -2.318 4.118 -2.559 1.00 0.94 O ATOM 654 CB ALA A 44 0.277 2.920 -1.437 1.00 0.64 C ATOM 0 H ALA A 44 -0.347 5.300 -1.013 1.00 0.50 H new ATOM 0 HA ALA A 44 0.820 3.864 -3.295 1.00 0.57 H new ATOM 0 HB1 ALA A 44 0.243 1.922 -1.874 1.00 0.64 H new ATOM 0 HB2 ALA A 44 1.252 3.082 -0.977 1.00 0.64 H new ATOM 0 HB3 ALA A 44 -0.501 3.011 -0.679 1.00 0.64 H new ATOM 660 N HIS A 45 -1.354 3.145 -4.366 1.00 0.58 N ATOM 661 CA HIS A 45 -2.492 2.342 -4.754 1.00 0.59 C ATOM 662 C HIS A 45 -2.018 0.901 -4.641 1.00 0.45 C ATOM 663 O HIS A 45 -0.926 0.583 -5.122 1.00 0.63 O ATOM 664 CB HIS A 45 -3.020 2.730 -6.142 1.00 1.05 C ATOM 665 CG HIS A 45 -2.320 2.165 -7.351 1.00 0.85 C ATOM 666 ND1 HIS A 45 -1.858 2.901 -8.420 1.00 1.63 N ATOM 667 CD2 HIS A 45 -2.359 0.853 -7.744 1.00 1.27 C ATOM 668 CE1 HIS A 45 -1.603 2.044 -9.423 1.00 2.53 C ATOM 669 NE2 HIS A 45 -1.900 0.786 -9.062 1.00 2.35 N ATOM 0 H HIS A 45 -0.611 3.195 -5.063 1.00 0.58 H new ATOM 0 HA HIS A 45 -3.357 2.501 -4.110 1.00 0.59 H new ATOM 0 HB2 HIS A 45 -4.068 2.434 -6.195 1.00 1.05 H new ATOM 0 HB3 HIS A 45 -2.991 3.817 -6.218 1.00 1.05 H new ATOM 0 HD1 HIS A 45 -1.732 3.913 -8.445 1.00 1.63 H new ATOM 0 HD2 HIS A 45 -2.686 0.018 -7.142 1.00 1.27 H new ATOM 0 HE1 HIS A 45 -1.212 2.329 -10.389 1.00 2.53 H new ATOM 677 N ILE A 46 -2.805 0.053 -3.980 1.00 0.37 N ATOM 678 CA ILE A 46 -2.555 -1.374 -3.922 1.00 0.38 C ATOM 679 C ILE A 46 -3.708 -2.065 -4.627 1.00 0.43 C ATOM 680 O ILE A 46 -4.875 -1.789 -4.340 1.00 0.62 O ATOM 681 CB ILE A 46 -2.449 -1.873 -2.479 1.00 0.54 C ATOM 682 CG1 ILE A 46 -1.377 -1.165 -1.650 1.00 0.50 C ATOM 683 CG2 ILE A 46 -2.157 -3.376 -2.470 1.00 1.11 C ATOM 684 CD1 ILE A 46 0.016 -1.078 -2.264 1.00 1.88 C ATOM 0 H ILE A 46 -3.638 0.346 -3.469 1.00 0.37 H new ATOM 0 HA ILE A 46 -1.604 -1.598 -4.405 1.00 0.38 H new ATOM 0 HB ILE A 46 -3.411 -1.648 -2.018 1.00 0.54 H new ATOM 0 HG12 ILE A 46 -1.721 -0.152 -1.442 1.00 0.50 H new ATOM 0 HG13 ILE A 46 -1.295 -1.677 -0.691 1.00 0.50 H new ATOM 0 HG21 ILE A 46 -2.083 -3.726 -1.440 1.00 1.11 H new ATOM 0 HG22 ILE A 46 -2.964 -3.906 -2.976 1.00 1.11 H new ATOM 0 HG23 ILE A 46 -1.217 -3.567 -2.987 1.00 1.11 H new ATOM 0 HD11 ILE A 46 0.683 -0.554 -1.579 1.00 1.88 H new ATOM 0 HD12 ILE A 46 0.397 -2.083 -2.445 1.00 1.88 H new ATOM 0 HD13 ILE A 46 -0.036 -0.534 -3.207 1.00 1.88 H new ATOM 696 N LYS A 47 -3.363 -2.979 -5.530 1.00 0.47 N ATOM 697 CA LYS A 47 -4.300 -3.810 -6.248 1.00 0.57 C ATOM 698 C LYS A 47 -4.477 -5.127 -5.492 1.00 0.46 C ATOM 699 O LYS A 47 -4.060 -6.176 -5.971 1.00 0.79 O ATOM 700 CB LYS A 47 -3.782 -4.014 -7.674 1.00 0.76 C ATOM 701 CG LYS A 47 -3.464 -2.678 -8.362 1.00 0.90 C ATOM 702 CD LYS A 47 -3.434 -2.933 -9.875 1.00 1.26 C ATOM 703 CE LYS A 47 -3.089 -1.651 -10.637 1.00 2.36 C ATOM 704 NZ LYS A 47 -3.163 -1.838 -12.099 1.00 3.18 N ATOM 0 H LYS A 47 -2.392 -3.160 -5.783 1.00 0.47 H new ATOM 0 HA LYS A 47 -5.280 -3.339 -6.316 1.00 0.57 H new ATOM 0 HB2 LYS A 47 -2.885 -4.633 -7.650 1.00 0.76 H new ATOM 0 HB3 LYS A 47 -4.527 -4.555 -8.257 1.00 0.76 H new ATOM 0 HG2 LYS A 47 -4.218 -1.930 -8.114 1.00 0.90 H new ATOM 0 HG3 LYS A 47 -2.505 -2.289 -8.020 1.00 0.90 H new ATOM 0 HD2 LYS A 47 -2.700 -3.706 -10.103 1.00 1.26 H new ATOM 0 HD3 LYS A 47 -4.403 -3.307 -10.204 1.00 1.26 H new ATOM 0 HE2 LYS A 47 -3.773 -0.857 -10.338 1.00 2.36 H new ATOM 0 HE3 LYS A 47 -2.085 -1.326 -10.364 1.00 2.36 H new ATOM 0 HZ1 LYS A 47 -2.922 -0.946 -12.576 1.00 3.18 H new ATOM 0 HZ2 LYS A 47 -2.492 -2.578 -12.389 1.00 3.18 H new ATOM 0 HZ3 LYS A 47 -4.127 -2.123 -12.364 1.00 3.18 H new ATOM 718 N TYR A 48 -5.027 -5.074 -4.276 1.00 0.96 N ATOM 719 CA TYR A 48 -5.329 -6.269 -3.507 1.00 0.85 C ATOM 720 C TYR A 48 -6.721 -6.826 -3.803 1.00 0.86 C ATOM 721 O TYR A 48 -7.678 -6.066 -3.949 1.00 1.16 O ATOM 722 CB TYR A 48 -5.098 -6.028 -2.013 1.00 0.91 C ATOM 723 CG TYR A 48 -6.043 -5.060 -1.326 1.00 1.11 C ATOM 724 CD1 TYR A 48 -7.287 -5.511 -0.841 1.00 1.60 C ATOM 725 CD2 TYR A 48 -5.615 -3.758 -1.022 1.00 2.58 C ATOM 726 CE1 TYR A 48 -8.062 -4.689 -0.008 1.00 1.70 C ATOM 727 CE2 TYR A 48 -6.393 -2.930 -0.198 1.00 2.81 C ATOM 728 CZ TYR A 48 -7.606 -3.404 0.324 1.00 1.68 C ATOM 729 OH TYR A 48 -8.360 -2.590 1.113 1.00 1.99 O ATOM 0 H TYR A 48 -5.272 -4.203 -3.805 1.00 0.96 H new ATOM 0 HA TYR A 48 -4.633 -7.045 -3.826 1.00 0.85 H new ATOM 0 HB2 TYR A 48 -5.161 -6.987 -1.500 1.00 0.91 H new ATOM 0 HB3 TYR A 48 -4.080 -5.662 -1.881 1.00 0.91 H new ATOM 0 HD1 TYR A 48 -7.646 -6.493 -1.111 1.00 1.60 H new ATOM 0 HD2 TYR A 48 -4.682 -3.392 -1.424 1.00 2.58 H new ATOM 0 HE1 TYR A 48 -9.007 -5.044 0.376 1.00 1.70 H new ATOM 0 HE2 TYR A 48 -6.059 -1.930 0.034 1.00 2.81 H new ATOM 0 HH TYR A 48 -7.894 -1.738 1.244 1.00 1.99 H new ATOM 739 N ASP A 49 -6.827 -8.157 -3.846 1.00 0.66 N ATOM 740 CA ASP A 49 -8.095 -8.867 -3.986 1.00 0.74 C ATOM 741 C ASP A 49 -8.975 -8.548 -2.768 1.00 0.82 C ATOM 742 O ASP A 49 -8.592 -8.896 -1.650 1.00 0.86 O ATOM 743 CB ASP A 49 -7.854 -10.381 -4.042 1.00 0.79 C ATOM 744 CG ASP A 49 -7.060 -10.848 -5.251 1.00 1.54 C ATOM 745 OD1 ASP A 49 -7.422 -10.423 -6.368 1.00 2.47 O ATOM 746 OD2 ASP A 49 -6.120 -11.641 -5.031 1.00 2.37 O ATOM 0 H ASP A 49 -6.020 -8.778 -3.783 1.00 0.66 H new ATOM 0 HA ASP A 49 -8.584 -8.550 -4.907 1.00 0.74 H new ATOM 0 HB2 ASP A 49 -7.328 -10.686 -3.138 1.00 0.79 H new ATOM 0 HB3 ASP A 49 -8.818 -10.890 -4.037 1.00 0.79 H new ATOM 751 N PRO A 50 -10.127 -7.882 -2.919 1.00 0.97 N ATOM 752 CA PRO A 50 -10.883 -7.349 -1.794 1.00 1.18 C ATOM 753 C PRO A 50 -11.692 -8.449 -1.090 1.00 1.26 C ATOM 754 O PRO A 50 -12.922 -8.411 -1.095 1.00 1.54 O ATOM 755 CB PRO A 50 -11.761 -6.257 -2.418 1.00 1.41 C ATOM 756 CG PRO A 50 -12.051 -6.813 -3.814 1.00 1.32 C ATOM 757 CD PRO A 50 -10.733 -7.497 -4.182 1.00 1.07 C ATOM 0 HA PRO A 50 -10.249 -6.944 -1.005 1.00 1.18 H new ATOM 0 HB2 PRO A 50 -12.676 -6.098 -1.847 1.00 1.41 H new ATOM 0 HB3 PRO A 50 -11.244 -5.299 -2.464 1.00 1.41 H new ATOM 0 HG2 PRO A 50 -12.884 -7.516 -3.805 1.00 1.32 H new ATOM 0 HG3 PRO A 50 -12.308 -6.023 -4.519 1.00 1.32 H new ATOM 0 HD2 PRO A 50 -10.906 -8.367 -4.815 1.00 1.07 H new ATOM 0 HD3 PRO A 50 -10.083 -6.822 -4.739 1.00 1.07 H new ATOM 765 N GLU A 51 -11.011 -9.417 -0.465 1.00 1.46 N ATOM 766 CA GLU A 51 -11.651 -10.546 0.200 1.00 1.59 C ATOM 767 C GLU A 51 -10.707 -11.248 1.184 1.00 1.36 C ATOM 768 O GLU A 51 -10.813 -11.041 2.392 1.00 2.14 O ATOM 769 CB GLU A 51 -12.299 -11.490 -0.833 1.00 1.81 C ATOM 770 CG GLU A 51 -11.414 -11.909 -2.021 1.00 1.92 C ATOM 771 CD GLU A 51 -12.262 -12.198 -3.246 1.00 2.55 C ATOM 772 OE1 GLU A 51 -13.217 -13.000 -3.135 1.00 2.99 O ATOM 773 OE2 GLU A 51 -11.990 -11.619 -4.321 1.00 3.52 O ATOM 0 H GLU A 51 -9.993 -9.434 -0.409 1.00 1.46 H new ATOM 0 HA GLU A 51 -12.463 -10.167 0.820 1.00 1.59 H new ATOM 0 HB2 GLU A 51 -12.626 -12.392 -0.315 1.00 1.81 H new ATOM 0 HB3 GLU A 51 -13.193 -11.006 -1.226 1.00 1.81 H new ATOM 0 HG2 GLU A 51 -10.700 -11.117 -2.246 1.00 1.92 H new ATOM 0 HG3 GLU A 51 -10.836 -12.794 -1.756 1.00 1.92 H new ATOM 780 N ILE A 52 -9.794 -12.096 0.697 1.00 0.66 N ATOM 781 CA ILE A 52 -8.901 -12.860 1.570 1.00 0.70 C ATOM 782 C ILE A 52 -7.941 -11.937 2.319 1.00 0.78 C ATOM 783 O ILE A 52 -7.566 -12.206 3.459 1.00 1.11 O ATOM 784 CB ILE A 52 -8.133 -13.964 0.817 1.00 0.95 C ATOM 785 CG1 ILE A 52 -6.994 -13.504 -0.114 1.00 1.05 C ATOM 786 CG2 ILE A 52 -9.089 -14.938 0.118 1.00 1.75 C ATOM 787 CD1 ILE A 52 -7.419 -12.697 -1.340 1.00 2.83 C ATOM 0 H ILE A 52 -9.655 -12.269 -0.299 1.00 0.66 H new ATOM 0 HA ILE A 52 -9.535 -13.363 2.300 1.00 0.70 H new ATOM 0 HB ILE A 52 -7.602 -14.491 1.610 1.00 0.95 H new ATOM 0 HG12 ILE A 52 -6.295 -12.903 0.468 1.00 1.05 H new ATOM 0 HG13 ILE A 52 -6.450 -14.385 -0.454 1.00 1.05 H new ATOM 0 HG21 ILE A 52 -8.513 -15.703 -0.403 1.00 1.75 H new ATOM 0 HG22 ILE A 52 -9.733 -15.411 0.859 1.00 1.75 H new ATOM 0 HG23 ILE A 52 -9.702 -14.394 -0.600 1.00 1.75 H new ATOM 0 HD11 ILE A 52 -6.537 -12.427 -1.922 1.00 2.83 H new ATOM 0 HD12 ILE A 52 -8.090 -13.296 -1.955 1.00 2.83 H new ATOM 0 HD13 ILE A 52 -7.933 -11.791 -1.019 1.00 2.83 H new ATOM 799 N ILE A 53 -7.533 -10.865 1.646 1.00 0.71 N ATOM 800 CA ILE A 53 -6.780 -9.753 2.189 1.00 0.74 C ATOM 801 C ILE A 53 -7.766 -8.594 2.322 1.00 0.64 C ATOM 802 O ILE A 53 -8.731 -8.512 1.563 1.00 0.71 O ATOM 803 CB ILE A 53 -5.592 -9.450 1.254 1.00 0.79 C ATOM 804 CG1 ILE A 53 -4.727 -8.266 1.704 1.00 1.18 C ATOM 805 CG2 ILE A 53 -6.040 -9.149 -0.171 1.00 0.82 C ATOM 806 CD1 ILE A 53 -3.826 -8.667 2.865 1.00 0.95 C ATOM 0 H ILE A 53 -7.733 -10.748 0.653 1.00 0.71 H new ATOM 0 HA ILE A 53 -6.348 -9.958 3.168 1.00 0.74 H new ATOM 0 HB ILE A 53 -5.000 -10.364 1.296 1.00 0.79 H new ATOM 0 HG12 ILE A 53 -4.119 -7.916 0.870 1.00 1.18 H new ATOM 0 HG13 ILE A 53 -5.366 -7.435 2.003 1.00 1.18 H new ATOM 0 HG21 ILE A 53 -5.167 -8.942 -0.791 1.00 0.82 H new ATOM 0 HG22 ILE A 53 -6.575 -10.009 -0.573 1.00 0.82 H new ATOM 0 HG23 ILE A 53 -6.698 -8.280 -0.170 1.00 0.82 H new ATOM 0 HD11 ILE A 53 -3.221 -7.812 3.168 1.00 0.95 H new ATOM 0 HD12 ILE A 53 -4.439 -8.994 3.705 1.00 0.95 H new ATOM 0 HD13 ILE A 53 -3.172 -9.482 2.554 1.00 0.95 H new ATOM 818 N GLY A 54 -7.541 -7.715 3.301 1.00 0.68 N ATOM 819 CA GLY A 54 -8.417 -6.594 3.581 1.00 0.64 C ATOM 820 C GLY A 54 -7.599 -5.362 3.955 1.00 0.55 C ATOM 821 O GLY A 54 -6.389 -5.464 4.182 1.00 0.63 O ATOM 0 H GLY A 54 -6.735 -7.769 3.924 1.00 0.68 H new ATOM 0 HA2 GLY A 54 -9.033 -6.378 2.708 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -9.096 -6.849 4.395 1.00 0.64 H new ATOM 825 N PRO A 55 -8.262 -4.198 4.048 1.00 0.56 N ATOM 826 CA PRO A 55 -7.618 -2.931 4.342 1.00 0.56 C ATOM 827 C PRO A 55 -6.858 -3.012 5.662 1.00 0.57 C ATOM 828 O PRO A 55 -5.728 -2.549 5.740 1.00 0.57 O ATOM 829 CB PRO A 55 -8.734 -1.881 4.373 1.00 0.68 C ATOM 830 CG PRO A 55 -10.007 -2.694 4.616 1.00 0.75 C ATOM 831 CD PRO A 55 -9.703 -4.038 3.954 1.00 0.67 C ATOM 0 HA PRO A 55 -6.876 -2.665 3.589 1.00 0.56 H new ATOM 0 HB2 PRO A 55 -8.571 -1.150 5.165 1.00 0.68 H new ATOM 0 HB3 PRO A 55 -8.787 -1.328 3.435 1.00 0.68 H new ATOM 0 HG2 PRO A 55 -10.213 -2.808 5.680 1.00 0.75 H new ATOM 0 HG3 PRO A 55 -10.880 -2.216 4.171 1.00 0.75 H new ATOM 0 HD2 PRO A 55 -10.222 -4.852 4.460 1.00 0.67 H new ATOM 0 HD3 PRO A 55 -10.032 -4.047 2.915 1.00 0.67 H new ATOM 839 N ARG A 56 -7.451 -3.616 6.698 1.00 0.61 N ATOM 840 CA ARG A 56 -6.764 -3.791 7.970 1.00 0.64 C ATOM 841 C ARG A 56 -5.452 -4.562 7.812 1.00 0.65 C ATOM 842 O ARG A 56 -4.452 -4.167 8.399 1.00 0.67 O ATOM 843 CB ARG A 56 -7.671 -4.459 9.011 1.00 0.79 C ATOM 844 CG ARG A 56 -8.668 -3.454 9.614 1.00 1.94 C ATOM 845 CD ARG A 56 -8.918 -3.705 11.108 1.00 2.53 C ATOM 846 NE ARG A 56 -7.686 -3.521 11.903 1.00 3.70 N ATOM 847 CZ ARG A 56 -7.604 -3.206 13.206 1.00 5.06 C ATOM 848 NH1 ARG A 56 -8.709 -2.990 13.929 1.00 5.46 N ATOM 849 NH2 ARG A 56 -6.398 -3.121 13.771 1.00 6.50 N ATOM 0 H ARG A 56 -8.400 -3.988 6.675 1.00 0.61 H new ATOM 0 HA ARG A 56 -6.514 -2.794 8.333 1.00 0.64 H new ATOM 0 HB2 ARG A 56 -8.216 -5.281 8.547 1.00 0.79 H new ATOM 0 HB3 ARG A 56 -7.061 -4.889 9.805 1.00 0.79 H new ATOM 0 HG2 ARG A 56 -8.288 -2.442 9.477 1.00 1.94 H new ATOM 0 HG3 ARG A 56 -9.613 -3.515 9.075 1.00 1.94 H new ATOM 0 HD2 ARG A 56 -9.689 -3.024 11.468 1.00 2.53 H new ATOM 0 HD3 ARG A 56 -9.295 -4.718 11.249 1.00 2.53 H new ATOM 0 HE ARG A 56 -6.803 -3.647 11.409 1.00 3.70 H new ATOM 0 HH11 ARG A 56 -9.627 -3.064 13.491 1.00 5.46 H new ATOM 0 HH12 ARG A 56 -8.633 -2.751 14.918 1.00 5.46 H new ATOM 0 HH21 ARG A 56 -5.561 -3.294 13.215 1.00 6.50 H new ATOM 0 HH22 ARG A 56 -6.313 -2.883 14.759 1.00 6.50 H new ATOM 863 N ASP A 57 -5.440 -5.655 7.047 1.00 0.67 N ATOM 864 CA ASP A 57 -4.235 -6.461 6.887 1.00 0.69 C ATOM 865 C ASP A 57 -3.155 -5.613 6.204 1.00 0.65 C ATOM 866 O ASP A 57 -2.037 -5.478 6.705 1.00 0.63 O ATOM 867 CB ASP A 57 -4.591 -7.736 6.113 1.00 0.83 C ATOM 868 CG ASP A 57 -3.444 -8.742 6.047 1.00 2.18 C ATOM 869 OD1 ASP A 57 -2.279 -8.314 6.130 1.00 3.84 O ATOM 870 OD2 ASP A 57 -3.770 -9.943 5.898 1.00 2.83 O ATOM 0 H ASP A 57 -6.250 -5.999 6.531 1.00 0.67 H new ATOM 0 HA ASP A 57 -3.830 -6.775 7.849 1.00 0.69 H new ATOM 0 HB2 ASP A 57 -5.453 -8.209 6.583 1.00 0.83 H new ATOM 0 HB3 ASP A 57 -4.888 -7.467 5.099 1.00 0.83 H new ATOM 875 N ILE A 58 -3.526 -4.956 5.099 1.00 0.64 N ATOM 876 CA ILE A 58 -2.664 -3.987 4.425 1.00 0.60 C ATOM 877 C ILE A 58 -2.116 -2.956 5.416 1.00 0.56 C ATOM 878 O ILE A 58 -0.911 -2.716 5.472 1.00 0.56 O ATOM 879 CB ILE A 58 -3.441 -3.321 3.274 1.00 0.60 C ATOM 880 CG1 ILE A 58 -3.641 -4.300 2.107 1.00 0.48 C ATOM 881 CG2 ILE A 58 -2.795 -2.015 2.787 1.00 0.73 C ATOM 882 CD1 ILE A 58 -2.363 -4.545 1.301 1.00 1.95 C ATOM 0 H ILE A 58 -4.433 -5.083 4.649 1.00 0.64 H new ATOM 0 HA ILE A 58 -1.803 -4.505 4.003 1.00 0.60 H new ATOM 0 HB ILE A 58 -4.417 -3.051 3.678 1.00 0.60 H new ATOM 0 HG12 ILE A 58 -4.005 -5.251 2.497 1.00 0.48 H new ATOM 0 HG13 ILE A 58 -4.413 -3.911 1.443 1.00 0.48 H new ATOM 0 HG21 ILE A 58 -3.390 -1.595 1.976 1.00 0.73 H new ATOM 0 HG22 ILE A 58 -2.750 -1.302 3.610 1.00 0.73 H new ATOM 0 HG23 ILE A 58 -1.786 -2.220 2.429 1.00 0.73 H new ATOM 0 HD11 ILE A 58 -2.572 -5.245 0.492 1.00 1.95 H new ATOM 0 HD12 ILE A 58 -2.010 -3.602 0.883 1.00 1.95 H new ATOM 0 HD13 ILE A 58 -1.596 -4.962 1.953 1.00 1.95 H new ATOM 894 N ILE A 59 -3.000 -2.336 6.195 1.00 0.56 N ATOM 895 CA ILE A 59 -2.633 -1.320 7.164 1.00 0.57 C ATOM 896 C ILE A 59 -1.614 -1.887 8.155 1.00 0.60 C ATOM 897 O ILE A 59 -0.536 -1.318 8.293 1.00 0.62 O ATOM 898 CB ILE A 59 -3.904 -0.741 7.811 1.00 0.58 C ATOM 899 CG1 ILE A 59 -4.564 0.249 6.836 1.00 0.60 C ATOM 900 CG2 ILE A 59 -3.651 -0.103 9.186 1.00 0.63 C ATOM 901 CD1 ILE A 59 -6.042 0.462 7.166 1.00 0.62 C ATOM 0 H ILE A 59 -4.001 -2.531 6.167 1.00 0.56 H new ATOM 0 HA ILE A 59 -2.134 -0.480 6.680 1.00 0.57 H new ATOM 0 HB ILE A 59 -4.585 -1.570 8.005 1.00 0.58 H new ATOM 0 HG12 ILE A 59 -4.040 1.204 6.876 1.00 0.60 H new ATOM 0 HG13 ILE A 59 -4.468 -0.125 5.817 1.00 0.60 H new ATOM 0 HG21 ILE A 59 -4.588 0.285 9.585 1.00 0.63 H new ATOM 0 HG22 ILE A 59 -3.250 -0.853 9.867 1.00 0.63 H new ATOM 0 HG23 ILE A 59 -2.935 0.713 9.082 1.00 0.63 H new ATOM 0 HD11 ILE A 59 -6.475 1.167 6.457 1.00 0.62 H new ATOM 0 HD12 ILE A 59 -6.570 -0.489 7.101 1.00 0.62 H new ATOM 0 HD13 ILE A 59 -6.136 0.860 8.176 1.00 0.62 H new ATOM 913 N HIS A 60 -1.919 -3.031 8.778 1.00 0.63 N ATOM 914 CA HIS A 60 -1.045 -3.680 9.753 1.00 0.74 C ATOM 915 C HIS A 60 0.322 -3.928 9.119 1.00 0.65 C ATOM 916 O HIS A 60 1.375 -3.692 9.711 1.00 0.65 O ATOM 917 CB HIS A 60 -1.640 -5.015 10.217 1.00 0.93 C ATOM 918 CG HIS A 60 -3.006 -4.952 10.855 1.00 1.34 C ATOM 919 ND1 HIS A 60 -3.851 -6.028 10.995 1.00 3.28 N ATOM 920 CD2 HIS A 60 -3.649 -3.849 11.356 1.00 1.16 C ATOM 921 CE1 HIS A 60 -4.976 -5.584 11.575 1.00 3.24 C ATOM 922 NE2 HIS A 60 -4.912 -4.260 11.810 1.00 1.82 N ATOM 0 H HIS A 60 -2.790 -3.535 8.615 1.00 0.63 H new ATOM 0 HA HIS A 60 -0.944 -3.026 10.619 1.00 0.74 H new ATOM 0 HB2 HIS A 60 -1.694 -5.683 9.357 1.00 0.93 H new ATOM 0 HB3 HIS A 60 -0.950 -5.468 10.929 1.00 0.93 H new ATOM 0 HD1 HIS A 60 -3.658 -6.988 10.710 1.00 3.28 H new ATOM 0 HD2 HIS A 60 -3.254 -2.844 11.394 1.00 1.16 H new ATOM 0 HE1 HIS A 60 -5.823 -6.207 11.821 1.00 3.24 H new ATOM 930 N THR A 61 0.283 -4.423 7.886 1.00 0.64 N ATOM 931 CA THR A 61 1.472 -4.746 7.130 1.00 0.69 C ATOM 932 C THR A 61 2.323 -3.488 6.913 1.00 0.69 C ATOM 933 O THR A 61 3.526 -3.514 7.162 1.00 0.78 O ATOM 934 CB THR A 61 1.050 -5.441 5.829 1.00 0.75 C ATOM 935 OG1 THR A 61 0.420 -6.668 6.138 1.00 0.83 O ATOM 936 CG2 THR A 61 2.249 -5.755 4.930 1.00 0.85 C ATOM 0 H THR A 61 -0.586 -4.610 7.386 1.00 0.64 H new ATOM 0 HA THR A 61 2.110 -5.440 7.678 1.00 0.69 H new ATOM 0 HB THR A 61 0.379 -4.761 5.304 1.00 0.75 H new ATOM 0 HG1 THR A 61 -0.514 -6.503 6.386 1.00 0.83 H new ATOM 0 HG21 THR A 61 1.903 -6.246 4.021 1.00 0.85 H new ATOM 0 HG22 THR A 61 2.761 -4.829 4.670 1.00 0.85 H new ATOM 0 HG23 THR A 61 2.938 -6.414 5.459 1.00 0.85 H new ATOM 944 N ILE A 62 1.722 -2.397 6.429 1.00 0.62 N ATOM 945 CA ILE A 62 2.458 -1.184 6.098 1.00 0.63 C ATOM 946 C ILE A 62 2.935 -0.452 7.352 1.00 0.60 C ATOM 947 O ILE A 62 4.082 -0.007 7.386 1.00 0.68 O ATOM 948 CB ILE A 62 1.664 -0.294 5.131 1.00 0.61 C ATOM 949 CG1 ILE A 62 1.528 -1.019 3.781 1.00 0.67 C ATOM 950 CG2 ILE A 62 2.371 1.059 4.938 1.00 0.64 C ATOM 951 CD1 ILE A 62 0.640 -0.246 2.809 1.00 1.14 C ATOM 0 H ILE A 62 0.718 -2.334 6.258 1.00 0.62 H new ATOM 0 HA ILE A 62 3.364 -1.472 5.565 1.00 0.63 H new ATOM 0 HB ILE A 62 0.675 -0.103 5.547 1.00 0.61 H new ATOM 0 HG12 ILE A 62 2.516 -1.156 3.341 1.00 0.67 H new ATOM 0 HG13 ILE A 62 1.111 -2.013 3.943 1.00 0.67 H new ATOM 0 HG21 ILE A 62 1.794 1.676 4.250 1.00 0.64 H new ATOM 0 HG22 ILE A 62 2.453 1.567 5.899 1.00 0.64 H new ATOM 0 HG23 ILE A 62 3.368 0.894 4.529 1.00 0.64 H new ATOM 0 HD11 ILE A 62 0.570 -0.791 1.868 1.00 1.14 H new ATOM 0 HD12 ILE A 62 -0.356 -0.132 3.238 1.00 1.14 H new ATOM 0 HD13 ILE A 62 1.071 0.738 2.626 1.00 1.14 H new ATOM 963 N GLU A 63 2.086 -0.303 8.376 1.00 0.49 N ATOM 964 CA GLU A 63 2.457 0.447 9.571 1.00 0.50 C ATOM 965 C GLU A 63 3.729 -0.130 10.189 1.00 0.48 C ATOM 966 O GLU A 63 4.654 0.604 10.531 1.00 0.57 O ATOM 967 CB GLU A 63 1.288 0.544 10.555 1.00 0.64 C ATOM 968 CG GLU A 63 0.886 -0.752 11.260 1.00 1.90 C ATOM 969 CD GLU A 63 -0.335 -0.531 12.145 1.00 2.07 C ATOM 970 OE1 GLU A 63 -0.126 -0.064 13.284 1.00 2.82 O ATOM 971 OE2 GLU A 63 -1.454 -0.817 11.666 1.00 2.92 O ATOM 0 H GLU A 63 1.143 -0.692 8.397 1.00 0.49 H new ATOM 0 HA GLU A 63 2.686 1.474 9.288 1.00 0.50 H new ATOM 0 HB2 GLU A 63 1.541 1.283 11.315 1.00 0.64 H new ATOM 0 HB3 GLU A 63 0.419 0.925 10.018 1.00 0.64 H new ATOM 0 HG2 GLU A 63 0.669 -1.522 10.519 1.00 1.90 H new ATOM 0 HG3 GLU A 63 1.717 -1.116 11.864 1.00 1.90 H new ATOM 978 N SER A 64 3.800 -1.461 10.235 1.00 0.50 N ATOM 979 CA SER A 64 4.990 -2.200 10.646 1.00 0.57 C ATOM 980 C SER A 64 6.271 -1.766 9.912 1.00 0.62 C ATOM 981 O SER A 64 7.360 -1.905 10.463 1.00 0.73 O ATOM 982 CB SER A 64 4.759 -3.704 10.465 1.00 0.63 C ATOM 983 OG SER A 64 3.644 -4.136 11.220 1.00 1.67 O ATOM 0 H SER A 64 3.017 -2.064 9.983 1.00 0.50 H new ATOM 0 HA SER A 64 5.150 -1.968 11.699 1.00 0.57 H new ATOM 0 HB2 SER A 64 4.598 -3.927 9.410 1.00 0.63 H new ATOM 0 HB3 SER A 64 5.648 -4.253 10.775 1.00 0.63 H new ATOM 0 HG SER A 64 2.818 -3.900 10.748 1.00 1.67 H new ATOM 989 N LEU A 65 6.174 -1.270 8.672 1.00 0.63 N ATOM 990 CA LEU A 65 7.328 -0.793 7.911 1.00 0.68 C ATOM 991 C LEU A 65 7.783 0.598 8.367 1.00 0.68 C ATOM 992 O LEU A 65 8.896 1.004 8.041 1.00 0.82 O ATOM 993 CB LEU A 65 7.030 -0.766 6.404 1.00 0.71 C ATOM 994 CG LEU A 65 6.425 -2.063 5.846 1.00 0.80 C ATOM 995 CD1 LEU A 65 6.306 -1.953 4.322 1.00 0.98 C ATOM 996 CD2 LEU A 65 7.249 -3.298 6.220 1.00 1.05 C ATOM 0 H LEU A 65 5.290 -1.189 8.170 1.00 0.63 H new ATOM 0 HA LEU A 65 8.136 -1.498 8.103 1.00 0.68 H new ATOM 0 HB2 LEU A 65 6.345 0.057 6.198 1.00 0.71 H new ATOM 0 HB3 LEU A 65 7.955 -0.553 5.868 1.00 0.71 H new ATOM 0 HG LEU A 65 5.439 -2.189 6.293 1.00 0.80 H new ATOM 0 HD11 LEU A 65 5.877 -2.872 3.923 1.00 0.98 H new ATOM 0 HD12 LEU A 65 5.662 -1.111 4.067 1.00 0.98 H new ATOM 0 HD13 LEU A 65 7.295 -1.797 3.890 1.00 0.98 H new ATOM 0 HD21 LEU A 65 6.780 -4.189 5.802 1.00 1.05 H new ATOM 0 HD22 LEU A 65 8.258 -3.197 5.819 1.00 1.05 H new ATOM 0 HD23 LEU A 65 7.297 -3.388 7.305 1.00 1.05 H new ATOM 1008 N GLY A 66 6.937 1.329 9.098 1.00 0.66 N ATOM 1009 CA GLY A 66 7.247 2.652 9.616 1.00 0.66 C ATOM 1010 C GLY A 66 6.795 3.769 8.677 1.00 0.61 C ATOM 1011 O GLY A 66 7.402 4.838 8.666 1.00 0.70 O ATOM 0 H GLY A 66 6.002 1.006 9.347 1.00 0.66 H new ATOM 0 HA2 GLY A 66 6.767 2.781 10.586 1.00 0.66 H new ATOM 0 HA3 GLY A 66 8.322 2.732 9.780 1.00 0.66 H new ATOM 1015 N PHE A 67 5.708 3.553 7.928 1.00 0.58 N ATOM 1016 CA PHE A 67 5.012 4.596 7.185 1.00 0.56 C ATOM 1017 C PHE A 67 3.545 4.447 7.558 1.00 0.60 C ATOM 1018 O PHE A 67 3.094 3.314 7.684 1.00 0.85 O ATOM 1019 CB PHE A 67 5.194 4.390 5.675 1.00 0.60 C ATOM 1020 CG PHE A 67 6.586 3.962 5.247 1.00 0.59 C ATOM 1021 CD1 PHE A 67 7.690 4.793 5.507 1.00 1.86 C ATOM 1022 CD2 PHE A 67 6.786 2.709 4.633 1.00 1.96 C ATOM 1023 CE1 PHE A 67 8.977 4.408 5.093 1.00 1.88 C ATOM 1024 CE2 PHE A 67 8.076 2.316 4.236 1.00 1.98 C ATOM 1025 CZ PHE A 67 9.168 3.173 4.451 1.00 0.72 C ATOM 0 H PHE A 67 5.284 2.631 7.823 1.00 0.58 H new ATOM 0 HA PHE A 67 5.397 5.587 7.424 1.00 0.56 H new ATOM 0 HB2 PHE A 67 4.480 3.639 5.338 1.00 0.60 H new ATOM 0 HB3 PHE A 67 4.943 5.320 5.164 1.00 0.60 H new ATOM 0 HD1 PHE A 67 7.549 5.729 6.026 1.00 1.86 H new ATOM 0 HD2 PHE A 67 5.947 2.050 4.467 1.00 1.96 H new ATOM 0 HE1 PHE A 67 9.819 5.061 5.268 1.00 1.88 H new ATOM 0 HE2 PHE A 67 8.227 1.356 3.766 1.00 1.98 H new ATOM 0 HZ PHE A 67 10.155 2.882 4.123 1.00 0.72 H new ATOM 1035 N GLU A 68 2.808 5.539 7.750 1.00 0.55 N ATOM 1036 CA GLU A 68 1.438 5.499 8.232 1.00 0.65 C ATOM 1037 C GLU A 68 0.479 5.342 7.044 1.00 0.62 C ATOM 1038 O GLU A 68 0.360 6.291 6.268 1.00 0.65 O ATOM 1039 CB GLU A 68 1.141 6.827 8.929 1.00 0.75 C ATOM 1040 CG GLU A 68 2.066 7.197 10.097 1.00 1.13 C ATOM 1041 CD GLU A 68 1.824 8.645 10.498 1.00 1.70 C ATOM 1042 OE1 GLU A 68 0.708 9.146 10.222 1.00 1.96 O ATOM 1043 OE2 GLU A 68 2.775 9.311 10.969 1.00 2.82 O ATOM 0 H GLU A 68 3.152 6.483 7.572 1.00 0.55 H new ATOM 0 HA GLU A 68 1.307 4.662 8.918 1.00 0.65 H new ATOM 0 HB2 GLU A 68 1.191 7.623 8.186 1.00 0.75 H new ATOM 0 HB3 GLU A 68 0.116 6.799 9.298 1.00 0.75 H new ATOM 0 HG2 GLU A 68 1.880 6.538 10.945 1.00 1.13 H new ATOM 0 HG3 GLU A 68 3.108 7.058 9.808 1.00 1.13 H new ATOM 1050 N PRO A 69 -0.209 4.198 6.875 1.00 0.62 N ATOM 1051 CA PRO A 69 -1.184 4.011 5.813 1.00 0.63 C ATOM 1052 C PRO A 69 -2.533 4.604 6.235 1.00 0.82 C ATOM 1053 O PRO A 69 -3.040 4.277 7.306 1.00 1.42 O ATOM 1054 CB PRO A 69 -1.276 2.497 5.630 1.00 0.61 C ATOM 1055 CG PRO A 69 -1.038 1.963 7.039 1.00 0.66 C ATOM 1056 CD PRO A 69 -0.119 2.994 7.690 1.00 0.65 C ATOM 0 HA PRO A 69 -0.902 4.509 4.885 1.00 0.63 H new ATOM 0 HB2 PRO A 69 -2.250 2.196 5.244 1.00 0.61 H new ATOM 0 HB3 PRO A 69 -0.528 2.130 4.928 1.00 0.61 H new ATOM 0 HG2 PRO A 69 -1.974 1.863 7.589 1.00 0.66 H new ATOM 0 HG3 PRO A 69 -0.575 0.977 7.016 1.00 0.66 H new ATOM 0 HD2 PRO A 69 -0.427 3.196 8.716 1.00 0.65 H new ATOM 0 HD3 PRO A 69 0.907 2.629 7.731 1.00 0.65 H new ATOM 1064 N SER A 70 -3.137 5.460 5.405 1.00 0.87 N ATOM 1065 CA SER A 70 -4.447 6.041 5.669 1.00 1.05 C ATOM 1066 C SER A 70 -5.250 6.040 4.370 1.00 0.83 C ATOM 1067 O SER A 70 -4.891 6.733 3.422 1.00 0.69 O ATOM 1068 CB SER A 70 -4.275 7.455 6.230 1.00 1.31 C ATOM 1069 OG SER A 70 -5.491 7.931 6.771 1.00 2.54 O ATOM 0 H SER A 70 -2.723 5.768 4.525 1.00 0.87 H new ATOM 0 HA SER A 70 -4.989 5.456 6.412 1.00 1.05 H new ATOM 0 HB2 SER A 70 -3.504 7.454 7.001 1.00 1.31 H new ATOM 0 HB3 SER A 70 -3.936 8.126 5.441 1.00 1.31 H new ATOM 0 HG SER A 70 -5.360 8.835 7.126 1.00 2.54 H new ATOM 1075 N LEU A 71 -6.305 5.224 4.316 1.00 0.92 N ATOM 1076 CA LEU A 71 -7.172 5.080 3.155 1.00 0.86 C ATOM 1077 C LEU A 71 -7.752 6.432 2.733 1.00 0.87 C ATOM 1078 O LEU A 71 -8.238 7.177 3.580 1.00 1.30 O ATOM 1079 CB LEU A 71 -8.240 4.002 3.398 1.00 1.10 C ATOM 1080 CG LEU A 71 -9.322 4.312 4.450 1.00 1.55 C ATOM 1081 CD1 LEU A 71 -10.382 3.204 4.394 1.00 1.72 C ATOM 1082 CD2 LEU A 71 -8.793 4.409 5.887 1.00 2.60 C ATOM 0 H LEU A 71 -6.583 4.633 5.100 1.00 0.92 H new ATOM 0 HA LEU A 71 -6.578 4.731 2.311 1.00 0.86 H new ATOM 0 HB2 LEU A 71 -8.738 3.799 2.450 1.00 1.10 H new ATOM 0 HB3 LEU A 71 -7.733 3.084 3.694 1.00 1.10 H new ATOM 0 HG LEU A 71 -9.728 5.293 4.202 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -11.158 3.405 5.132 1.00 1.72 H new ATOM 0 HD12 LEU A 71 -10.826 3.176 3.399 1.00 1.72 H new ATOM 0 HD13 LEU A 71 -9.916 2.243 4.611 1.00 1.72 H new ATOM 0 HD21 LEU A 71 -9.618 4.630 6.564 1.00 2.60 H new ATOM 0 HD22 LEU A 71 -8.334 3.462 6.170 1.00 2.60 H new ATOM 0 HD23 LEU A 71 -8.051 5.205 5.948 1.00 2.60 H new ATOM 1094 N VAL A 72 -7.665 6.757 1.436 1.00 1.46 N ATOM 1095 CA VAL A 72 -8.039 8.069 0.911 1.00 1.46 C ATOM 1096 C VAL A 72 -8.942 7.978 -0.317 1.00 1.48 C ATOM 1097 O VAL A 72 -9.982 8.628 -0.370 1.00 2.07 O ATOM 1098 CB VAL A 72 -6.773 8.904 0.654 1.00 1.94 C ATOM 1099 CG1 VAL A 72 -5.830 8.360 -0.430 1.00 3.74 C ATOM 1100 CG2 VAL A 72 -7.122 10.366 0.346 1.00 2.82 C ATOM 0 H VAL A 72 -7.331 6.111 0.721 1.00 1.46 H new ATOM 0 HA VAL A 72 -8.639 8.579 1.665 1.00 1.46 H new ATOM 0 HB VAL A 72 -6.220 8.833 1.590 1.00 1.94 H new ATOM 0 HG11 VAL A 72 -4.971 9.023 -0.531 1.00 3.74 H new ATOM 0 HG12 VAL A 72 -5.489 7.364 -0.149 1.00 3.74 H new ATOM 0 HG13 VAL A 72 -6.361 8.307 -1.381 1.00 3.74 H new ATOM 0 HG21 VAL A 72 -6.206 10.929 0.169 1.00 2.82 H new ATOM 0 HG22 VAL A 72 -7.752 10.410 -0.542 1.00 2.82 H new ATOM 0 HG23 VAL A 72 -7.656 10.799 1.192 1.00 2.82 H new