USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=21 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 75:sc= 0.25 USER MOD Set 1.2: A 15 CYS SG : rot 180:sc= 0.237 USER MOD Set 1.3: A 18 CYS SG : rot -150:sc= 0.00471 USER MOD Single : A 13 MET CE :methyl 179:sc= -0.471 (180deg=-0.474) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0716 USER MOD Single : A 20 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-1.6!) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= 1.25 (180deg=1.12) USER MOD Single : A 24 SER OG : rot 85:sc= 0.105 USER MOD Single : A 25 SER OG : rot 120:sc= -0.0711 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 29 HIS : no HE2:sc= 0.158 K(o=0.16,f=-4.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.31 USER MOD Single : A 36 SER OG : rot -35:sc= 0.259 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.8 USER MOD Single : A 42 ASN : amide:sc= 0.653 K(o=0.65,f=-0.00073) USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.11) USER MOD Single : A 45 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-2.3) 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 HE2:sc= 1.15 K(o=1.1,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 64 SER OG : rot 74:sc= 1.08 USER MOD Single : A 70 SER OG : rot 58:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.079 -2.131 -5.385 1.00 1.25 N ATOM 47 CA VAL A 5 -8.060 -1.090 -5.449 1.00 1.10 C ATOM 48 C VAL A 5 -8.156 -0.209 -4.210 1.00 1.16 C ATOM 49 O VAL A 5 -9.264 0.012 -3.718 1.00 1.72 O ATOM 50 CB VAL A 5 -8.225 -0.248 -6.729 1.00 1.27 C ATOM 51 CG1 VAL A 5 -8.100 -1.138 -7.966 1.00 2.08 C ATOM 52 CG2 VAL A 5 -9.551 0.524 -6.798 1.00 2.64 C ATOM 0 HA VAL A 5 -7.075 -1.556 -5.479 1.00 1.10 H new ATOM 0 HB VAL A 5 -7.426 0.493 -6.701 1.00 1.27 H new ATOM 0 HG11 VAL A 5 -8.218 -0.532 -8.864 1.00 2.08 H new ATOM 0 HG12 VAL A 5 -7.119 -1.612 -7.975 1.00 2.08 H new ATOM 0 HG13 VAL A 5 -8.874 -1.905 -7.942 1.00 2.08 H new ATOM 0 HG21 VAL A 5 -9.593 1.092 -7.727 1.00 2.64 H new ATOM 0 HG22 VAL A 5 -10.383 -0.179 -6.765 1.00 2.64 H new ATOM 0 HG23 VAL A 5 -9.619 1.207 -5.951 1.00 2.64 H new ATOM 62 N LEU A 6 -7.027 0.316 -3.723 1.00 0.84 N ATOM 63 CA LEU A 6 -7.045 1.444 -2.800 1.00 0.85 C ATOM 64 C LEU A 6 -5.745 2.253 -2.826 1.00 0.82 C ATOM 65 O LEU A 6 -4.652 1.712 -2.648 1.00 1.07 O ATOM 66 CB LEU A 6 -7.469 1.053 -1.370 1.00 0.98 C ATOM 67 CG LEU A 6 -6.512 0.171 -0.551 1.00 2.37 C ATOM 68 CD1 LEU A 6 -7.074 0.066 0.871 1.00 3.22 C ATOM 69 CD2 LEU A 6 -6.382 -1.249 -1.105 1.00 3.45 C ATOM 0 H LEU A 6 -6.094 -0.024 -3.955 1.00 0.84 H new ATOM 0 HA LEU A 6 -7.826 2.109 -3.169 1.00 0.85 H new ATOM 0 HB2 LEU A 6 -7.640 1.972 -0.809 1.00 0.98 H new ATOM 0 HB3 LEU A 6 -8.427 0.537 -1.435 1.00 0.98 H new ATOM 0 HG LEU A 6 -5.525 0.633 -0.587 1.00 2.37 H new ATOM 0 HD11 LEU A 6 -6.415 -0.555 1.478 1.00 3.22 H new ATOM 0 HD12 LEU A 6 -7.140 1.061 1.310 1.00 3.22 H new ATOM 0 HD13 LEU A 6 -8.067 -0.383 0.838 1.00 3.22 H new ATOM 0 HD21 LEU A 6 -5.693 -1.821 -0.483 1.00 3.45 H new ATOM 0 HD22 LEU A 6 -7.359 -1.732 -1.102 1.00 3.45 H new ATOM 0 HD23 LEU A 6 -6.001 -1.208 -2.125 1.00 3.45 H new ATOM 81 N GLU A 7 -5.889 3.565 -3.028 1.00 0.81 N ATOM 82 CA GLU A 7 -4.863 4.578 -2.896 1.00 0.81 C ATOM 83 C GLU A 7 -4.676 4.921 -1.418 1.00 0.80 C ATOM 84 O GLU A 7 -5.400 5.745 -0.858 1.00 1.22 O ATOM 85 CB GLU A 7 -5.274 5.820 -3.702 1.00 0.82 C ATOM 86 CG GLU A 7 -5.204 5.579 -5.220 1.00 0.92 C ATOM 87 CD GLU A 7 -6.267 4.630 -5.760 1.00 2.09 C ATOM 88 OE1 GLU A 7 -7.294 4.447 -5.071 1.00 3.60 O ATOM 89 OE2 GLU A 7 -5.994 4.097 -6.857 1.00 3.29 O ATOM 0 H GLU A 7 -6.786 3.964 -3.305 1.00 0.81 H new ATOM 0 HA GLU A 7 -3.915 4.208 -3.286 1.00 0.81 H new ATOM 0 HB2 GLU A 7 -6.289 6.109 -3.428 1.00 0.82 H new ATOM 0 HB3 GLU A 7 -4.623 6.654 -3.438 1.00 0.82 H new ATOM 0 HG2 GLU A 7 -5.297 6.537 -5.732 1.00 0.92 H new ATOM 0 HG3 GLU A 7 -4.220 5.180 -5.467 1.00 0.92 H new ATOM 96 N LEU A 8 -3.675 4.306 -0.791 1.00 0.61 N ATOM 97 CA LEU A 8 -3.266 4.637 0.563 1.00 0.76 C ATOM 98 C LEU A 8 -2.159 5.679 0.454 1.00 0.65 C ATOM 99 O LEU A 8 -1.097 5.402 -0.103 1.00 0.66 O ATOM 100 CB LEU A 8 -2.800 3.370 1.292 1.00 1.09 C ATOM 101 CG LEU A 8 -3.972 2.396 1.485 1.00 1.16 C ATOM 102 CD1 LEU A 8 -3.461 0.957 1.415 1.00 1.68 C ATOM 103 CD2 LEU A 8 -4.684 2.607 2.823 1.00 2.64 C ATOM 0 H LEU A 8 -3.124 3.560 -1.215 1.00 0.61 H new ATOM 0 HA LEU A 8 -4.092 5.045 1.146 1.00 0.76 H new ATOM 0 HB2 LEU A 8 -2.008 2.886 0.721 1.00 1.09 H new ATOM 0 HB3 LEU A 8 -2.378 3.636 2.261 1.00 1.09 H new ATOM 0 HG LEU A 8 -4.689 2.588 0.687 1.00 1.16 H new ATOM 0 HD11 LEU A 8 -4.294 0.268 1.552 1.00 1.68 H new ATOM 0 HD12 LEU A 8 -3.001 0.781 0.443 1.00 1.68 H new ATOM 0 HD13 LEU A 8 -2.723 0.794 2.200 1.00 1.68 H new ATOM 0 HD21 LEU A 8 -5.505 1.896 2.914 1.00 2.64 H new ATOM 0 HD22 LEU A 8 -3.978 2.453 3.639 1.00 2.64 H new ATOM 0 HD23 LEU A 8 -5.077 3.623 2.870 1.00 2.64 H new ATOM 115 N VAL A 9 -2.406 6.884 0.968 1.00 0.64 N ATOM 116 CA VAL A 9 -1.409 7.944 1.000 1.00 0.64 C ATOM 117 C VAL A 9 -0.465 7.598 2.147 1.00 0.61 C ATOM 118 O VAL A 9 -0.760 7.835 3.318 1.00 0.76 O ATOM 119 CB VAL A 9 -2.068 9.331 1.113 1.00 0.79 C ATOM 120 CG1 VAL A 9 -1.048 10.440 1.409 1.00 0.86 C ATOM 121 CG2 VAL A 9 -2.756 9.673 -0.215 1.00 1.32 C ATOM 0 H VAL A 9 -3.304 7.149 1.373 1.00 0.64 H new ATOM 0 HA VAL A 9 -0.839 8.007 0.073 1.00 0.64 H new ATOM 0 HB VAL A 9 -2.779 9.282 1.937 1.00 0.79 H new ATOM 0 HG11 VAL A 9 -1.563 11.398 1.479 1.00 0.86 H new ATOM 0 HG12 VAL A 9 -0.544 10.229 2.352 1.00 0.86 H new ATOM 0 HG13 VAL A 9 -0.312 10.481 0.606 1.00 0.86 H new ATOM 0 HG21 VAL A 9 -3.224 10.654 -0.140 1.00 1.32 H new ATOM 0 HG22 VAL A 9 -2.016 9.684 -1.016 1.00 1.32 H new ATOM 0 HG23 VAL A 9 -3.517 8.924 -0.434 1.00 1.32 H new ATOM 131 N VAL A 10 0.660 6.976 1.800 1.00 0.57 N ATOM 132 CA VAL A 10 1.661 6.484 2.716 1.00 0.52 C ATOM 133 C VAL A 10 2.496 7.673 3.170 1.00 0.51 C ATOM 134 O VAL A 10 3.649 7.853 2.777 1.00 0.54 O ATOM 135 CB VAL A 10 2.476 5.360 2.049 1.00 0.57 C ATOM 136 CG1 VAL A 10 1.653 4.068 2.023 1.00 0.71 C ATOM 137 CG2 VAL A 10 2.927 5.669 0.616 1.00 0.82 C ATOM 0 H VAL A 10 0.900 6.798 0.825 1.00 0.57 H new ATOM 0 HA VAL A 10 1.218 6.032 3.603 1.00 0.52 H new ATOM 0 HB VAL A 10 3.377 5.257 2.654 1.00 0.57 H new ATOM 0 HG11 VAL A 10 2.234 3.276 1.550 1.00 0.71 H new ATOM 0 HG12 VAL A 10 1.403 3.775 3.043 1.00 0.71 H new ATOM 0 HG13 VAL A 10 0.736 4.232 1.457 1.00 0.71 H new ATOM 0 HG21 VAL A 10 3.494 4.825 0.223 1.00 0.82 H new ATOM 0 HG22 VAL A 10 2.053 5.842 -0.011 1.00 0.82 H new ATOM 0 HG23 VAL A 10 3.555 6.560 0.616 1.00 0.82 H new ATOM 147 N ARG A 11 1.902 8.483 4.046 1.00 0.67 N ATOM 148 CA ARG A 11 2.564 9.685 4.505 1.00 0.75 C ATOM 149 C ARG A 11 3.658 9.246 5.482 1.00 0.75 C ATOM 150 O ARG A 11 3.535 8.218 6.156 1.00 0.82 O ATOM 151 CB ARG A 11 1.554 10.671 5.125 1.00 1.08 C ATOM 152 CG ARG A 11 0.940 10.121 6.415 1.00 1.20 C ATOM 153 CD ARG A 11 -0.105 11.027 7.067 1.00 1.69 C ATOM 154 NE ARG A 11 -0.377 10.553 8.439 1.00 2.84 N ATOM 155 CZ ARG A 11 -1.555 10.197 8.978 1.00 3.82 C ATOM 156 NH1 ARG A 11 -2.639 10.061 8.211 1.00 4.21 N ATOM 157 NH2 ARG A 11 -1.651 9.952 10.287 1.00 5.10 N ATOM 0 H ARG A 11 0.976 8.325 4.443 1.00 0.67 H new ATOM 0 HA ARG A 11 3.019 10.231 3.679 1.00 0.75 H new ATOM 0 HB2 ARG A 11 2.052 11.618 5.335 1.00 1.08 H new ATOM 0 HB3 ARG A 11 0.762 10.880 4.406 1.00 1.08 H new ATOM 0 HG2 ARG A 11 0.480 9.157 6.199 1.00 1.20 H new ATOM 0 HG3 ARG A 11 1.740 9.939 7.132 1.00 1.20 H new ATOM 0 HD2 ARG A 11 0.253 12.056 7.090 1.00 1.69 H new ATOM 0 HD3 ARG A 11 -1.023 11.023 6.480 1.00 1.69 H new ATOM 0 HE ARG A 11 0.433 10.488 9.056 1.00 2.84 H new ATOM 0 HH11 ARG A 11 -2.577 10.228 7.207 1.00 4.21 H new ATOM 0 HH12 ARG A 11 -3.529 9.790 8.629 1.00 4.21 H new ATOM 0 HH21 ARG A 11 -0.827 10.035 10.883 1.00 5.10 H new ATOM 0 HH22 ARG A 11 -2.548 9.682 10.691 1.00 5.10 H new ATOM 171 N GLY A 12 4.761 9.998 5.476 1.00 0.90 N ATOM 172 CA GLY A 12 5.962 9.668 6.222 1.00 1.04 C ATOM 173 C GLY A 12 7.066 9.118 5.321 1.00 0.91 C ATOM 174 O GLY A 12 8.234 9.243 5.680 1.00 1.03 O ATOM 0 H GLY A 12 4.839 10.864 4.943 1.00 0.90 H new ATOM 0 HA2 GLY A 12 6.324 10.558 6.736 1.00 1.04 H new ATOM 0 HA3 GLY A 12 5.721 8.932 6.989 1.00 1.04 H new ATOM 178 N MET A 13 6.739 8.505 4.172 1.00 0.84 N ATOM 179 CA MET A 13 7.731 7.810 3.371 1.00 0.89 C ATOM 180 C MET A 13 8.239 8.755 2.277 1.00 0.77 C ATOM 181 O MET A 13 7.437 9.428 1.624 1.00 1.07 O ATOM 182 CB MET A 13 7.103 6.499 2.886 1.00 1.41 C ATOM 183 CG MET A 13 6.349 6.582 1.569 1.00 0.78 C ATOM 184 SD MET A 13 7.371 6.435 0.087 1.00 1.70 S ATOM 185 CE MET A 13 6.032 6.622 -1.088 1.00 0.94 C ATOM 0 H MET A 13 5.795 8.483 3.787 1.00 0.84 H new ATOM 0 HA MET A 13 8.623 7.529 3.932 1.00 0.89 H new ATOM 0 HB2 MET A 13 7.892 5.754 2.786 1.00 1.41 H new ATOM 0 HB3 MET A 13 6.419 6.138 3.654 1.00 1.41 H new ATOM 0 HG2 MET A 13 5.595 5.795 1.550 1.00 0.78 H new ATOM 0 HG3 MET A 13 5.818 7.533 1.532 1.00 0.78 H new ATOM 0 HE1 MET A 13 6.430 6.582 -2.102 1.00 0.94 H new ATOM 0 HE2 MET A 13 5.311 5.817 -0.949 1.00 0.94 H new ATOM 0 HE3 MET A 13 5.540 7.581 -0.929 1.00 0.94 H new ATOM 195 N THR A 14 9.564 8.871 2.143 1.00 0.80 N ATOM 196 CA THR A 14 10.209 10.006 1.497 1.00 0.97 C ATOM 197 C THR A 14 10.979 9.631 0.228 1.00 0.86 C ATOM 198 O THR A 14 10.854 10.329 -0.775 1.00 1.30 O ATOM 199 CB THR A 14 11.139 10.658 2.530 1.00 1.41 C ATOM 200 OG1 THR A 14 11.816 9.649 3.258 1.00 3.27 O ATOM 201 CG2 THR A 14 10.330 11.490 3.529 1.00 2.43 C ATOM 0 H THR A 14 10.221 8.170 2.485 1.00 0.80 H new ATOM 0 HA THR A 14 9.438 10.700 1.164 1.00 0.97 H new ATOM 0 HB THR A 14 11.845 11.297 1.999 1.00 1.41 H new ATOM 0 HG1 THR A 14 12.518 9.257 2.698 1.00 3.27 H new ATOM 0 HG21 THR A 14 11.005 11.945 4.254 1.00 2.43 H new ATOM 0 HG22 THR A 14 9.788 12.272 2.997 1.00 2.43 H new ATOM 0 HG23 THR A 14 9.620 10.846 4.048 1.00 2.43 H new ATOM 209 N CYS A 15 11.820 8.594 0.281 1.00 0.84 N ATOM 210 CA CYS A 15 12.822 8.307 -0.744 1.00 0.79 C ATOM 211 C CYS A 15 12.584 6.944 -1.394 1.00 0.67 C ATOM 212 O CYS A 15 11.855 6.109 -0.863 1.00 0.60 O ATOM 213 CB CYS A 15 14.237 8.419 -0.148 1.00 0.87 C ATOM 214 SG CYS A 15 14.432 7.982 1.601 1.00 1.34 S ATOM 0 H CYS A 15 11.822 7.922 1.049 1.00 0.84 H new ATOM 0 HA CYS A 15 12.729 9.050 -1.536 1.00 0.79 H new ATOM 0 HB2 CYS A 15 14.902 7.782 -0.732 1.00 0.87 H new ATOM 0 HB3 CYS A 15 14.580 9.445 -0.281 1.00 0.87 H new ATOM 0 HG CYS A 15 15.676 8.126 1.948 1.00 1.34 H new ATOM 219 N ALA A 16 13.234 6.712 -2.542 1.00 0.70 N ATOM 220 CA ALA A 16 13.192 5.454 -3.288 1.00 0.70 C ATOM 221 C ALA A 16 13.385 4.246 -2.368 1.00 0.64 C ATOM 222 O ALA A 16 12.707 3.227 -2.515 1.00 0.65 O ATOM 223 CB ALA A 16 14.263 5.476 -4.382 1.00 0.79 C ATOM 0 H ALA A 16 13.820 7.418 -2.988 1.00 0.70 H new ATOM 0 HA ALA A 16 12.207 5.356 -3.745 1.00 0.70 H new ATOM 0 HB1 ALA A 16 14.233 4.540 -4.939 1.00 0.79 H new ATOM 0 HB2 ALA A 16 14.073 6.308 -5.060 1.00 0.79 H new ATOM 0 HB3 ALA A 16 15.246 5.596 -3.927 1.00 0.79 H new ATOM 229 N SER A 17 14.298 4.388 -1.403 1.00 0.62 N ATOM 230 CA SER A 17 14.510 3.471 -0.300 1.00 0.68 C ATOM 231 C SER A 17 13.190 2.962 0.284 1.00 0.61 C ATOM 232 O SER A 17 12.990 1.759 0.430 1.00 0.70 O ATOM 233 CB SER A 17 15.349 4.207 0.747 1.00 0.80 C ATOM 234 OG SER A 17 16.422 4.854 0.085 1.00 1.65 O ATOM 0 H SER A 17 14.934 5.185 -1.376 1.00 0.62 H new ATOM 0 HA SER A 17 15.035 2.581 -0.648 1.00 0.68 H new ATOM 0 HB2 SER A 17 14.737 4.935 1.280 1.00 0.80 H new ATOM 0 HB3 SER A 17 15.729 3.506 1.490 1.00 0.80 H new ATOM 0 HG SER A 17 16.970 5.333 0.741 1.00 1.65 H new ATOM 240 N CYS A 18 12.280 3.879 0.614 1.00 0.53 N ATOM 241 CA CYS A 18 10.973 3.539 1.136 1.00 0.51 C ATOM 242 C CYS A 18 10.098 2.912 0.058 1.00 0.49 C ATOM 243 O CYS A 18 9.402 1.936 0.323 1.00 0.56 O ATOM 244 CB CYS A 18 10.299 4.790 1.688 1.00 0.54 C ATOM 245 SG CYS A 18 11.211 5.641 2.998 1.00 0.73 S ATOM 0 H CYS A 18 12.438 4.883 0.523 1.00 0.53 H new ATOM 0 HA CYS A 18 11.102 2.810 1.936 1.00 0.51 H new ATOM 0 HB2 CYS A 18 10.137 5.489 0.867 1.00 0.54 H new ATOM 0 HB3 CYS A 18 9.316 4.515 2.071 1.00 0.54 H new ATOM 0 HG CYS A 18 10.373 6.234 3.795 1.00 0.73 H new ATOM 250 N VAL A 19 10.110 3.481 -1.150 1.00 0.46 N ATOM 251 CA VAL A 19 9.235 3.053 -2.235 1.00 0.47 C ATOM 252 C VAL A 19 9.402 1.551 -2.427 1.00 0.46 C ATOM 253 O VAL A 19 8.439 0.784 -2.358 1.00 0.43 O ATOM 254 CB VAL A 19 9.563 3.818 -3.530 1.00 0.51 C ATOM 255 CG1 VAL A 19 8.640 3.427 -4.690 1.00 0.62 C ATOM 256 CG2 VAL A 19 9.432 5.324 -3.309 1.00 0.57 C ATOM 0 H VAL A 19 10.729 4.252 -1.400 1.00 0.46 H new ATOM 0 HA VAL A 19 8.197 3.273 -1.984 1.00 0.47 H new ATOM 0 HB VAL A 19 10.587 3.552 -3.791 1.00 0.51 H new ATOM 0 HG11 VAL A 19 8.913 3.995 -5.580 1.00 0.62 H new ATOM 0 HG12 VAL A 19 8.743 2.361 -4.894 1.00 0.62 H new ATOM 0 HG13 VAL A 19 7.606 3.647 -4.423 1.00 0.62 H new ATOM 0 HG21 VAL A 19 9.667 5.849 -4.235 1.00 0.57 H new ATOM 0 HG22 VAL A 19 8.412 5.560 -3.007 1.00 0.57 H new ATOM 0 HG23 VAL A 19 10.123 5.639 -2.527 1.00 0.57 H new ATOM 266 N HIS A 20 10.649 1.132 -2.645 1.00 0.51 N ATOM 267 CA HIS A 20 10.929 -0.261 -2.873 1.00 0.57 C ATOM 268 C HIS A 20 10.717 -1.097 -1.606 1.00 0.58 C ATOM 269 O HIS A 20 10.294 -2.244 -1.718 1.00 0.62 O ATOM 270 CB HIS A 20 12.263 -0.411 -3.604 1.00 0.65 C ATOM 271 CG HIS A 20 13.519 0.128 -2.970 1.00 0.68 C ATOM 272 ND1 HIS A 20 14.574 0.671 -3.670 1.00 0.83 N ATOM 273 CD2 HIS A 20 13.948 -0.076 -1.687 1.00 0.68 C ATOM 274 CE1 HIS A 20 15.610 0.792 -2.823 1.00 0.90 C ATOM 275 NE2 HIS A 20 15.280 0.337 -1.605 1.00 0.80 N ATOM 0 H HIS A 20 11.466 1.742 -2.666 1.00 0.51 H new ATOM 0 HA HIS A 20 10.201 -0.698 -3.556 1.00 0.57 H new ATOM 0 HB2 HIS A 20 12.419 -1.474 -3.785 1.00 0.65 H new ATOM 0 HB3 HIS A 20 12.158 0.066 -4.578 1.00 0.65 H new ATOM 0 HD2 HIS A 20 13.360 -0.485 -0.879 1.00 0.68 H new ATOM 0 HE1 HIS A 20 16.575 1.199 -3.086 1.00 0.90 H new ATOM 0 HE2 HIS A 20 15.882 0.300 -0.782 1.00 0.80 H new ATOM 283 N LYS A 21 10.908 -0.533 -0.403 1.00 0.58 N ATOM 284 CA LYS A 21 10.465 -1.155 0.832 1.00 0.61 C ATOM 285 C LYS A 21 9.002 -1.574 0.682 1.00 0.50 C ATOM 286 O LYS A 21 8.673 -2.742 0.885 1.00 0.58 O ATOM 287 CB LYS A 21 10.629 -0.169 2.001 1.00 0.74 C ATOM 288 CG LYS A 21 11.004 -0.854 3.309 1.00 1.37 C ATOM 289 CD LYS A 21 10.884 0.179 4.442 1.00 2.05 C ATOM 290 CE LYS A 21 11.281 -0.370 5.818 1.00 2.87 C ATOM 291 NZ LYS A 21 11.078 0.635 6.887 1.00 4.06 N ATOM 0 H LYS A 21 11.374 0.365 -0.271 1.00 0.58 H new ATOM 0 HA LYS A 21 11.070 -2.037 1.041 1.00 0.61 H new ATOM 0 HB2 LYS A 21 11.396 0.562 1.747 1.00 0.74 H new ATOM 0 HB3 LYS A 21 9.698 0.381 2.139 1.00 0.74 H new ATOM 0 HG2 LYS A 21 10.346 -1.702 3.496 1.00 1.37 H new ATOM 0 HG3 LYS A 21 12.020 -1.244 3.256 1.00 1.37 H new ATOM 0 HD2 LYS A 21 11.513 1.038 4.207 1.00 2.05 H new ATOM 0 HD3 LYS A 21 9.856 0.539 4.487 1.00 2.05 H new ATOM 0 HE2 LYS A 21 10.692 -1.260 6.039 1.00 2.87 H new ATOM 0 HE3 LYS A 21 12.327 -0.676 5.800 1.00 2.87 H new ATOM 0 HZ1 LYS A 21 11.813 0.521 7.614 1.00 4.06 H new ATOM 0 HZ2 LYS A 21 11.138 1.591 6.481 1.00 4.06 H new ATOM 0 HZ3 LYS A 21 10.141 0.500 7.317 1.00 4.06 H new ATOM 305 N ILE A 22 8.131 -0.626 0.318 1.00 0.40 N ATOM 306 CA ILE A 22 6.714 -0.905 0.172 1.00 0.38 C ATOM 307 C ILE A 22 6.520 -1.984 -0.886 1.00 0.43 C ATOM 308 O ILE A 22 6.004 -3.047 -0.560 1.00 0.50 O ATOM 309 CB ILE A 22 5.898 0.368 -0.115 1.00 0.43 C ATOM 310 CG1 ILE A 22 6.288 1.468 0.884 1.00 0.50 C ATOM 311 CG2 ILE A 22 4.397 0.042 -0.106 1.00 0.63 C ATOM 312 CD1 ILE A 22 5.164 2.368 1.390 1.00 0.73 C ATOM 0 H ILE A 22 8.392 0.340 0.121 1.00 0.40 H new ATOM 0 HA ILE A 22 6.327 -1.282 1.119 1.00 0.38 H new ATOM 0 HB ILE A 22 6.126 0.750 -1.110 1.00 0.43 H new ATOM 0 HG12 ILE A 22 6.757 0.993 1.746 1.00 0.50 H new ATOM 0 HG13 ILE A 22 7.044 2.099 0.417 1.00 0.50 H new ATOM 0 HG21 ILE A 22 3.827 0.948 -0.310 1.00 0.63 H new ATOM 0 HG22 ILE A 22 4.182 -0.702 -0.873 1.00 0.63 H new ATOM 0 HG23 ILE A 22 4.116 -0.351 0.871 1.00 0.63 H new ATOM 0 HD11 ILE A 22 5.570 3.101 2.087 1.00 0.73 H new ATOM 0 HD12 ILE A 22 4.704 2.885 0.547 1.00 0.73 H new ATOM 0 HD13 ILE A 22 4.413 1.762 1.897 1.00 0.73 H new ATOM 324 N GLU A 23 6.923 -1.736 -2.135 1.00 0.48 N ATOM 325 CA GLU A 23 6.632 -2.678 -3.210 1.00 0.61 C ATOM 326 C GLU A 23 7.192 -4.067 -2.907 1.00 0.66 C ATOM 327 O GLU A 23 6.440 -5.038 -2.889 1.00 0.75 O ATOM 328 CB GLU A 23 7.092 -2.145 -4.573 1.00 0.75 C ATOM 329 CG GLU A 23 6.422 -0.795 -4.840 1.00 1.06 C ATOM 330 CD GLU A 23 6.311 -0.420 -6.312 1.00 1.40 C ATOM 331 OE1 GLU A 23 7.146 -0.916 -7.097 1.00 2.03 O ATOM 332 OE2 GLU A 23 5.384 0.369 -6.612 1.00 2.35 O ATOM 0 H GLU A 23 7.442 -0.906 -2.420 1.00 0.48 H new ATOM 0 HA GLU A 23 5.549 -2.783 -3.269 1.00 0.61 H new ATOM 0 HB2 GLU A 23 8.176 -2.035 -4.586 1.00 0.75 H new ATOM 0 HB3 GLU A 23 6.834 -2.854 -5.360 1.00 0.75 H new ATOM 0 HG2 GLU A 23 5.422 -0.809 -4.406 1.00 1.06 H new ATOM 0 HG3 GLU A 23 6.983 -0.017 -4.322 1.00 1.06 H new ATOM 339 N SER A 24 8.493 -4.181 -2.632 1.00 0.67 N ATOM 340 CA SER A 24 9.100 -5.472 -2.360 1.00 0.76 C ATOM 341 C SER A 24 8.464 -6.156 -1.147 1.00 0.80 C ATOM 342 O SER A 24 8.279 -7.372 -1.159 1.00 1.04 O ATOM 343 CB SER A 24 10.613 -5.316 -2.191 1.00 0.81 C ATOM 344 OG SER A 24 11.158 -4.661 -3.321 1.00 1.88 O ATOM 0 H SER A 24 9.140 -3.393 -2.593 1.00 0.67 H new ATOM 0 HA SER A 24 8.914 -6.122 -3.215 1.00 0.76 H new ATOM 0 HB2 SER A 24 10.830 -4.745 -1.289 1.00 0.81 H new ATOM 0 HB3 SER A 24 11.077 -6.295 -2.068 1.00 0.81 H new ATOM 0 HG SER A 24 11.074 -3.691 -3.209 1.00 1.88 H new ATOM 350 N SER A 25 8.135 -5.407 -0.087 1.00 0.64 N ATOM 351 CA SER A 25 7.535 -6.026 1.085 1.00 0.68 C ATOM 352 C SER A 25 6.104 -6.490 0.792 1.00 0.67 C ATOM 353 O SER A 25 5.724 -7.597 1.170 1.00 0.78 O ATOM 354 CB SER A 25 7.592 -5.078 2.283 1.00 0.71 C ATOM 355 OG SER A 25 7.237 -5.781 3.457 1.00 0.93 O ATOM 0 H SER A 25 8.272 -4.398 -0.022 1.00 0.64 H new ATOM 0 HA SER A 25 8.114 -6.914 1.340 1.00 0.68 H new ATOM 0 HB2 SER A 25 8.595 -4.662 2.384 1.00 0.71 H new ATOM 0 HB3 SER A 25 6.913 -4.239 2.129 1.00 0.71 H new ATOM 0 HG SER A 25 7.982 -5.753 4.093 1.00 0.93 H new ATOM 361 N LEU A 26 5.291 -5.648 0.155 1.00 0.62 N ATOM 362 CA LEU A 26 3.899 -5.954 -0.137 1.00 0.66 C ATOM 363 C LEU A 26 3.784 -7.012 -1.234 1.00 0.60 C ATOM 364 O LEU A 26 3.213 -8.080 -0.997 1.00 0.83 O ATOM 365 CB LEU A 26 3.131 -4.675 -0.501 1.00 0.72 C ATOM 366 CG LEU A 26 2.495 -4.005 0.728 1.00 1.00 C ATOM 367 CD1 LEU A 26 3.523 -3.574 1.781 1.00 2.94 C ATOM 368 CD2 LEU A 26 1.687 -2.785 0.278 1.00 1.85 C ATOM 0 H LEU A 26 5.586 -4.729 -0.174 1.00 0.62 H new ATOM 0 HA LEU A 26 3.445 -6.372 0.761 1.00 0.66 H new ATOM 0 HB2 LEU A 26 3.809 -3.972 -0.985 1.00 0.72 H new ATOM 0 HB3 LEU A 26 2.352 -4.915 -1.225 1.00 0.72 H new ATOM 0 HG LEU A 26 1.851 -4.748 1.199 1.00 1.00 H new ATOM 0 HD11 LEU A 26 3.009 -3.108 2.622 1.00 2.94 H new ATOM 0 HD12 LEU A 26 4.074 -4.447 2.131 1.00 2.94 H new ATOM 0 HD13 LEU A 26 4.218 -2.860 1.340 1.00 2.94 H new ATOM 0 HD21 LEU A 26 1.235 -2.307 1.147 1.00 1.85 H new ATOM 0 HD22 LEU A 26 2.347 -2.076 -0.223 1.00 1.85 H new ATOM 0 HD23 LEU A 26 0.904 -3.101 -0.411 1.00 1.85 H new ATOM 380 N THR A 27 4.301 -6.704 -2.428 1.00 0.55 N ATOM 381 CA THR A 27 4.177 -7.493 -3.647 1.00 0.85 C ATOM 382 C THR A 27 4.984 -8.787 -3.539 1.00 1.28 C ATOM 383 O THR A 27 6.018 -8.969 -4.174 1.00 2.10 O ATOM 384 CB THR A 27 4.554 -6.620 -4.855 1.00 1.39 C ATOM 385 OG1 THR A 27 3.920 -5.362 -4.720 1.00 2.86 O ATOM 386 CG2 THR A 27 4.101 -7.246 -6.178 1.00 1.25 C ATOM 0 H THR A 27 4.844 -5.853 -2.572 1.00 0.55 H new ATOM 0 HA THR A 27 3.144 -7.809 -3.793 1.00 0.85 H new ATOM 0 HB THR A 27 5.640 -6.524 -4.874 1.00 1.39 H new ATOM 0 HG1 THR A 27 4.154 -4.794 -5.484 1.00 2.86 H new ATOM 0 HG21 THR A 27 4.388 -6.596 -7.005 1.00 1.25 H new ATOM 0 HG22 THR A 27 4.575 -8.220 -6.301 1.00 1.25 H new ATOM 0 HG23 THR A 27 3.018 -7.368 -6.171 1.00 1.25 H new ATOM 394 N LYS A 28 4.446 -9.681 -2.713 1.00 1.30 N ATOM 395 CA LYS A 28 4.934 -10.998 -2.342 1.00 1.66 C ATOM 396 C LYS A 28 3.907 -11.682 -1.430 1.00 1.39 C ATOM 397 O LYS A 28 3.744 -12.895 -1.513 1.00 1.54 O ATOM 398 CB LYS A 28 6.341 -10.951 -1.716 1.00 2.25 C ATOM 399 CG LYS A 28 6.407 -10.280 -0.336 1.00 2.08 C ATOM 400 CD LYS A 28 6.380 -11.324 0.795 1.00 2.52 C ATOM 401 CE LYS A 28 6.509 -10.701 2.193 1.00 3.02 C ATOM 402 NZ LYS A 28 5.358 -9.843 2.537 1.00 3.77 N ATOM 0 H LYS A 28 3.566 -9.475 -2.240 1.00 1.30 H new ATOM 0 HA LYS A 28 5.046 -11.595 -3.247 1.00 1.66 H new ATOM 0 HB2 LYS A 28 6.719 -11.970 -1.628 1.00 2.25 H new ATOM 0 HB3 LYS A 28 7.009 -10.421 -2.395 1.00 2.25 H new ATOM 0 HG2 LYS A 28 7.317 -9.684 -0.262 1.00 2.08 H new ATOM 0 HG3 LYS A 28 5.567 -9.595 -0.222 1.00 2.08 H new ATOM 0 HD2 LYS A 28 5.448 -11.887 0.739 1.00 2.52 H new ATOM 0 HD3 LYS A 28 7.192 -12.035 0.644 1.00 2.52 H new ATOM 0 HE2 LYS A 28 6.601 -11.495 2.934 1.00 3.02 H new ATOM 0 HE3 LYS A 28 7.425 -10.112 2.242 1.00 3.02 H new ATOM 0 HZ1 LYS A 28 5.493 -9.447 3.489 1.00 3.77 H new ATOM 0 HZ2 LYS A 28 5.284 -9.069 1.847 1.00 3.77 H new ATOM 0 HZ3 LYS A 28 4.485 -10.409 2.518 1.00 3.77 H new ATOM 416 N HIS A 29 3.201 -10.938 -0.556 1.00 1.19 N ATOM 417 CA HIS A 29 2.079 -11.534 0.153 1.00 1.31 C ATOM 418 C HIS A 29 0.990 -11.889 -0.869 1.00 1.10 C ATOM 419 O HIS A 29 0.483 -11.019 -1.581 1.00 1.30 O ATOM 420 CB HIS A 29 1.576 -10.661 1.319 1.00 1.58 C ATOM 421 CG HIS A 29 0.514 -9.642 0.995 1.00 1.06 C ATOM 422 ND1 HIS A 29 -0.814 -9.918 0.737 1.00 1.71 N ATOM 423 CD2 HIS A 29 0.658 -8.282 1.040 1.00 0.99 C ATOM 424 CE1 HIS A 29 -1.440 -8.738 0.594 1.00 2.32 C ATOM 425 NE2 HIS A 29 -0.591 -7.715 0.781 1.00 1.92 N ATOM 0 H HIS A 29 3.387 -9.959 -0.337 1.00 1.19 H new ATOM 0 HA HIS A 29 2.405 -12.452 0.642 1.00 1.31 H new ATOM 0 HB2 HIS A 29 1.188 -11.321 2.095 1.00 1.58 H new ATOM 0 HB3 HIS A 29 2.432 -10.137 1.745 1.00 1.58 H new ATOM 0 HD1 HIS A 29 -1.239 -10.843 0.668 1.00 1.71 H new ATOM 0 HD2 HIS A 29 1.573 -7.744 1.240 1.00 0.99 H new ATOM 0 HE1 HIS A 29 -2.488 -8.627 0.359 1.00 2.32 H new ATOM 433 N ARG A 30 0.624 -13.169 -0.942 1.00 1.21 N ATOM 434 CA ARG A 30 -0.546 -13.589 -1.699 1.00 1.13 C ATOM 435 C ARG A 30 -1.733 -12.789 -1.155 1.00 1.30 C ATOM 436 O ARG A 30 -1.833 -12.588 0.056 1.00 2.71 O ATOM 437 CB ARG A 30 -0.712 -15.111 -1.554 1.00 1.63 C ATOM 438 CG ARG A 30 -1.519 -15.807 -2.667 1.00 2.46 C ATOM 439 CD ARG A 30 -3.002 -16.054 -2.344 1.00 3.02 C ATOM 440 NE ARG A 30 -3.882 -14.966 -2.796 1.00 4.64 N ATOM 441 CZ ARG A 30 -5.217 -14.972 -2.667 1.00 5.92 C ATOM 442 NH1 ARG A 30 -5.856 -15.980 -2.070 1.00 5.75 N ATOM 443 NH2 ARG A 30 -5.947 -13.968 -3.132 1.00 7.74 N ATOM 0 H ARG A 30 1.124 -13.931 -0.484 1.00 1.21 H new ATOM 0 HA ARG A 30 -0.459 -13.392 -2.768 1.00 1.13 H new ATOM 0 HB2 ARG A 30 0.279 -15.563 -1.513 1.00 1.63 H new ATOM 0 HB3 ARG A 30 -1.196 -15.315 -0.599 1.00 1.63 H new ATOM 0 HG2 ARG A 30 -1.457 -15.202 -3.571 1.00 2.46 H new ATOM 0 HG3 ARG A 30 -1.048 -16.764 -2.891 1.00 2.46 H new ATOM 0 HD2 ARG A 30 -3.319 -16.987 -2.811 1.00 3.02 H new ATOM 0 HD3 ARG A 30 -3.116 -16.182 -1.268 1.00 3.02 H new ATOM 0 HE ARG A 30 -3.449 -14.154 -3.236 1.00 4.64 H new ATOM 0 HH11 ARG A 30 -5.328 -16.770 -1.699 1.00 5.75 H new ATOM 0 HH12 ARG A 30 -6.872 -15.960 -1.985 1.00 5.75 H new ATOM 0 HH21 ARG A 30 -5.494 -13.179 -3.594 1.00 7.74 H new ATOM 0 HH22 ARG A 30 -6.962 -13.984 -3.028 1.00 7.74 H new ATOM 457 N GLY A 31 -2.567 -12.245 -2.040 1.00 0.70 N ATOM 458 CA GLY A 31 -3.639 -11.342 -1.653 1.00 0.96 C ATOM 459 C GLY A 31 -3.449 -9.991 -2.322 1.00 0.78 C ATOM 460 O GLY A 31 -4.423 -9.405 -2.779 1.00 0.88 O ATOM 0 H GLY A 31 -2.515 -12.420 -3.043 1.00 0.70 H new ATOM 0 HA2 GLY A 31 -4.602 -11.765 -1.937 1.00 0.96 H new ATOM 0 HA3 GLY A 31 -3.651 -11.222 -0.570 1.00 0.96 H new ATOM 464 N ILE A 32 -2.214 -9.480 -2.390 1.00 0.72 N ATOM 465 CA ILE A 32 -1.932 -8.376 -3.290 1.00 0.59 C ATOM 466 C ILE A 32 -1.732 -8.980 -4.671 1.00 0.70 C ATOM 467 O ILE A 32 -0.989 -9.950 -4.817 1.00 0.91 O ATOM 468 CB ILE A 32 -0.752 -7.515 -2.792 1.00 0.52 C ATOM 469 CG1 ILE A 32 -1.332 -6.149 -2.392 1.00 0.74 C ATOM 470 CG2 ILE A 32 0.373 -7.318 -3.819 1.00 0.90 C ATOM 471 CD1 ILE A 32 -0.313 -5.252 -1.696 1.00 1.99 C ATOM 0 H ILE A 32 -1.418 -9.809 -1.844 1.00 0.72 H new ATOM 0 HA ILE A 32 -2.760 -7.668 -3.330 1.00 0.59 H new ATOM 0 HB ILE A 32 -0.285 -8.039 -1.958 1.00 0.52 H new ATOM 0 HG12 ILE A 32 -1.705 -5.643 -3.283 1.00 0.74 H new ATOM 0 HG13 ILE A 32 -2.185 -6.302 -1.731 1.00 0.74 H new ATOM 0 HG21 ILE A 32 1.159 -6.701 -3.384 1.00 0.90 H new ATOM 0 HG22 ILE A 32 0.785 -8.288 -4.098 1.00 0.90 H new ATOM 0 HG23 ILE A 32 -0.026 -6.825 -4.705 1.00 0.90 H new ATOM 0 HD11 ILE A 32 -0.781 -4.302 -1.438 1.00 1.99 H new ATOM 0 HD12 ILE A 32 0.042 -5.740 -0.788 1.00 1.99 H new ATOM 0 HD13 ILE A 32 0.529 -5.072 -2.364 1.00 1.99 H new ATOM 483 N LEU A 33 -2.398 -8.404 -5.668 1.00 0.67 N ATOM 484 CA LEU A 33 -2.153 -8.728 -7.060 1.00 0.78 C ATOM 485 C LEU A 33 -1.180 -7.704 -7.648 1.00 0.75 C ATOM 486 O LEU A 33 -0.388 -8.061 -8.518 1.00 0.80 O ATOM 487 CB LEU A 33 -3.479 -8.887 -7.817 1.00 0.96 C ATOM 488 CG LEU A 33 -4.209 -7.564 -8.087 1.00 1.31 C ATOM 489 CD1 LEU A 33 -4.000 -7.112 -9.537 1.00 2.15 C ATOM 490 CD2 LEU A 33 -5.703 -7.701 -7.786 1.00 2.34 C ATOM 0 H LEU A 33 -3.122 -7.700 -5.528 1.00 0.67 H new ATOM 0 HA LEU A 33 -1.665 -9.698 -7.161 1.00 0.78 H new ATOM 0 HB2 LEU A 33 -3.285 -9.383 -8.768 1.00 0.96 H new ATOM 0 HB3 LEU A 33 -4.136 -9.542 -7.244 1.00 0.96 H new ATOM 0 HG LEU A 33 -3.788 -6.806 -7.426 1.00 1.31 H new ATOM 0 HD11 LEU A 33 -4.527 -6.172 -9.705 1.00 2.15 H new ATOM 0 HD12 LEU A 33 -2.936 -6.970 -9.724 1.00 2.15 H new ATOM 0 HD13 LEU A 33 -4.389 -7.872 -10.215 1.00 2.15 H new ATOM 0 HD21 LEU A 33 -6.202 -6.753 -7.984 1.00 2.34 H new ATOM 0 HD22 LEU A 33 -6.132 -8.476 -8.420 1.00 2.34 H new ATOM 0 HD23 LEU A 33 -5.840 -7.972 -6.739 1.00 2.34 H new ATOM 502 N TYR A 34 -1.184 -6.450 -7.163 1.00 0.73 N ATOM 503 CA TYR A 34 -0.141 -5.500 -7.522 1.00 0.79 C ATOM 504 C TYR A 34 -0.018 -4.414 -6.452 1.00 0.77 C ATOM 505 O TYR A 34 -0.918 -4.247 -5.630 1.00 1.10 O ATOM 506 CB TYR A 34 -0.427 -4.908 -8.914 1.00 0.87 C ATOM 507 CG TYR A 34 0.801 -4.436 -9.666 1.00 1.19 C ATOM 508 CD1 TYR A 34 1.817 -5.355 -9.988 1.00 2.55 C ATOM 509 CD2 TYR A 34 0.882 -3.114 -10.143 1.00 1.52 C ATOM 510 CE1 TYR A 34 2.943 -4.936 -10.717 1.00 3.08 C ATOM 511 CE2 TYR A 34 1.997 -2.705 -10.897 1.00 1.79 C ATOM 512 CZ TYR A 34 3.041 -3.606 -11.153 1.00 2.31 C ATOM 513 OH TYR A 34 4.130 -3.210 -11.871 1.00 2.95 O ATOM 0 H TYR A 34 -1.894 -6.083 -6.529 1.00 0.73 H new ATOM 0 HA TYR A 34 0.818 -6.016 -7.571 1.00 0.79 H new ATOM 0 HB2 TYR A 34 -0.938 -5.660 -9.516 1.00 0.87 H new ATOM 0 HB3 TYR A 34 -1.113 -4.068 -8.803 1.00 0.87 H new ATOM 0 HD1 TYR A 34 1.731 -6.385 -9.674 1.00 2.55 H new ATOM 0 HD2 TYR A 34 0.088 -2.414 -9.930 1.00 1.52 H new ATOM 0 HE1 TYR A 34 3.733 -5.638 -10.942 1.00 3.08 H new ATOM 0 HE2 TYR A 34 2.049 -1.696 -11.279 1.00 1.79 H new ATOM 0 HH TYR A 34 4.045 -2.260 -12.098 1.00 2.95 H new ATOM 523 N CYS A 35 1.084 -3.663 -6.485 1.00 0.54 N ATOM 524 CA CYS A 35 1.226 -2.376 -5.816 1.00 0.46 C ATOM 525 C CYS A 35 1.777 -1.423 -6.869 1.00 0.59 C ATOM 526 O CYS A 35 2.468 -1.864 -7.789 1.00 0.97 O ATOM 527 CB CYS A 35 2.200 -2.460 -4.633 1.00 0.56 C ATOM 528 SG CYS A 35 2.389 -0.823 -3.886 1.00 2.17 S ATOM 0 H CYS A 35 1.923 -3.944 -6.992 1.00 0.54 H new ATOM 0 HA CYS A 35 0.270 -2.044 -5.412 1.00 0.46 H new ATOM 0 HB2 CYS A 35 1.828 -3.168 -3.892 1.00 0.56 H new ATOM 0 HB3 CYS A 35 3.168 -2.831 -4.971 1.00 0.56 H new ATOM 0 HG CYS A 35 3.212 -0.896 -2.883 1.00 2.17 H new ATOM 534 N SER A 36 1.457 -0.137 -6.783 1.00 0.50 N ATOM 535 CA SER A 36 2.202 0.891 -7.487 1.00 0.83 C ATOM 536 C SER A 36 2.337 2.081 -6.546 1.00 0.66 C ATOM 537 O SER A 36 1.343 2.774 -6.316 1.00 0.75 O ATOM 538 CB SER A 36 1.482 1.250 -8.788 1.00 1.32 C ATOM 539 OG SER A 36 1.277 0.073 -9.546 1.00 2.67 O ATOM 0 H SER A 36 0.679 0.217 -6.227 1.00 0.50 H new ATOM 0 HA SER A 36 3.198 0.548 -7.768 1.00 0.83 H new ATOM 0 HB2 SER A 36 0.527 1.727 -8.569 1.00 1.32 H new ATOM 0 HB3 SER A 36 2.073 1.966 -9.359 1.00 1.32 H new ATOM 0 HG SER A 36 2.040 -0.530 -9.426 1.00 2.67 H new ATOM 545 N VAL A 37 3.524 2.289 -5.967 1.00 0.64 N ATOM 546 CA VAL A 37 3.761 3.355 -5.005 1.00 0.59 C ATOM 547 C VAL A 37 4.736 4.402 -5.537 1.00 0.71 C ATOM 548 O VAL A 37 5.694 4.077 -6.234 1.00 0.92 O ATOM 549 CB VAL A 37 4.153 2.749 -3.648 1.00 0.68 C ATOM 550 CG1 VAL A 37 5.490 2.012 -3.665 1.00 1.58 C ATOM 551 CG2 VAL A 37 4.227 3.785 -2.535 1.00 1.33 C ATOM 0 H VAL A 37 4.347 1.717 -6.157 1.00 0.64 H new ATOM 0 HA VAL A 37 2.838 3.912 -4.845 1.00 0.59 H new ATOM 0 HB VAL A 37 3.350 2.038 -3.452 1.00 0.68 H new ATOM 0 HG11 VAL A 37 5.698 1.613 -2.672 1.00 1.58 H new ATOM 0 HG12 VAL A 37 5.445 1.194 -4.383 1.00 1.58 H new ATOM 0 HG13 VAL A 37 6.283 2.703 -3.951 1.00 1.58 H new ATOM 0 HG21 VAL A 37 4.508 3.297 -1.602 1.00 1.33 H new ATOM 0 HG22 VAL A 37 4.972 4.539 -2.789 1.00 1.33 H new ATOM 0 HG23 VAL A 37 3.254 4.262 -2.416 1.00 1.33 H new ATOM 561 N ALA A 38 4.473 5.675 -5.223 1.00 0.73 N ATOM 562 CA ALA A 38 5.328 6.780 -5.630 1.00 0.91 C ATOM 563 C ALA A 38 5.398 7.848 -4.540 1.00 0.86 C ATOM 564 O ALA A 38 4.396 8.177 -3.902 1.00 0.82 O ATOM 565 CB ALA A 38 4.832 7.372 -6.949 1.00 1.14 C ATOM 0 H ALA A 38 3.659 5.962 -4.679 1.00 0.73 H new ATOM 0 HA ALA A 38 6.338 6.399 -5.782 1.00 0.91 H new ATOM 0 HB1 ALA A 38 5.480 8.198 -7.243 1.00 1.14 H new ATOM 0 HB2 ALA A 38 4.850 6.604 -7.722 1.00 1.14 H new ATOM 0 HB3 ALA A 38 3.813 7.737 -6.823 1.00 1.14 H new ATOM 571 N LEU A 39 6.604 8.389 -4.345 1.00 0.89 N ATOM 572 CA LEU A 39 6.903 9.373 -3.313 1.00 0.87 C ATOM 573 C LEU A 39 6.367 10.754 -3.681 1.00 0.91 C ATOM 574 O LEU A 39 5.922 11.487 -2.807 1.00 0.85 O ATOM 575 CB LEU A 39 8.402 9.368 -2.982 1.00 1.11 C ATOM 576 CG LEU A 39 9.309 9.901 -4.106 1.00 1.00 C ATOM 577 CD1 LEU A 39 9.616 11.393 -3.910 1.00 1.76 C ATOM 578 CD2 LEU A 39 10.630 9.126 -4.107 1.00 1.75 C ATOM 0 H LEU A 39 7.414 8.146 -4.915 1.00 0.89 H new ATOM 0 HA LEU A 39 6.380 9.091 -2.399 1.00 0.87 H new ATOM 0 HB2 LEU A 39 8.565 9.968 -2.087 1.00 1.11 H new ATOM 0 HB3 LEU A 39 8.704 8.349 -2.742 1.00 1.11 H new ATOM 0 HG LEU A 39 8.786 9.769 -5.053 1.00 1.00 H new ATOM 0 HD11 LEU A 39 10.258 11.742 -4.719 1.00 1.76 H new ATOM 0 HD12 LEU A 39 8.685 11.960 -3.916 1.00 1.76 H new ATOM 0 HD13 LEU A 39 10.123 11.538 -2.956 1.00 1.76 H new ATOM 0 HD21 LEU A 39 11.272 9.503 -4.903 1.00 1.75 H new ATOM 0 HD22 LEU A 39 11.128 9.255 -3.146 1.00 1.75 H new ATOM 0 HD23 LEU A 39 10.431 8.067 -4.273 1.00 1.75 H new ATOM 590 N ALA A 40 6.346 11.100 -4.973 1.00 1.08 N ATOM 591 CA ALA A 40 5.869 12.398 -5.447 1.00 1.21 C ATOM 592 C ALA A 40 4.451 12.711 -4.952 1.00 1.10 C ATOM 593 O ALA A 40 4.119 13.863 -4.696 1.00 1.13 O ATOM 594 CB ALA A 40 5.927 12.430 -6.976 1.00 1.57 C ATOM 0 H ALA A 40 6.662 10.482 -5.721 1.00 1.08 H new ATOM 0 HA ALA A 40 6.521 13.170 -5.037 1.00 1.21 H new ATOM 0 HB1 ALA A 40 5.572 13.397 -7.333 1.00 1.57 H new ATOM 0 HB2 ALA A 40 6.955 12.277 -7.304 1.00 1.57 H new ATOM 0 HB3 ALA A 40 5.295 11.639 -7.381 1.00 1.57 H new ATOM 600 N THR A 41 3.620 11.673 -4.833 1.00 1.14 N ATOM 601 CA THR A 41 2.255 11.740 -4.319 1.00 1.26 C ATOM 602 C THR A 41 2.153 11.131 -2.916 1.00 0.97 C ATOM 603 O THR A 41 1.051 11.016 -2.382 1.00 1.09 O ATOM 604 CB THR A 41 1.343 11.032 -5.333 1.00 1.86 C ATOM 605 OG1 THR A 41 0.001 10.939 -4.893 1.00 2.12 O ATOM 606 CG2 THR A 41 1.848 9.644 -5.747 1.00 3.09 C ATOM 0 H THR A 41 3.892 10.728 -5.103 1.00 1.14 H new ATOM 0 HA THR A 41 1.940 12.777 -4.208 1.00 1.26 H new ATOM 0 HB THR A 41 1.375 11.673 -6.214 1.00 1.86 H new ATOM 0 HG1 THR A 41 -0.021 10.905 -3.914 1.00 2.12 H new ATOM 0 HG21 THR A 41 1.155 9.204 -6.464 1.00 3.09 H new ATOM 0 HG22 THR A 41 2.833 9.737 -6.204 1.00 3.09 H new ATOM 0 HG23 THR A 41 1.915 9.004 -4.867 1.00 3.09 H new ATOM 614 N ASN A 42 3.287 10.705 -2.357 1.00 0.78 N ATOM 615 CA ASN A 42 3.435 9.903 -1.145 1.00 0.64 C ATOM 616 C ASN A 42 2.323 8.860 -1.045 1.00 0.61 C ATOM 617 O ASN A 42 1.640 8.779 -0.027 1.00 0.61 O ATOM 618 CB ASN A 42 3.509 10.782 0.115 1.00 0.68 C ATOM 619 CG ASN A 42 4.650 11.797 0.070 1.00 0.96 C ATOM 620 OD1 ASN A 42 4.432 12.950 -0.285 1.00 1.91 O ATOM 621 ND2 ASN A 42 5.868 11.414 0.451 1.00 1.37 N ATOM 0 H ASN A 42 4.192 10.929 -2.772 1.00 0.78 H new ATOM 0 HA ASN A 42 4.384 9.371 -1.212 1.00 0.64 H new ATOM 0 HB2 ASN A 42 2.564 11.311 0.238 1.00 0.68 H new ATOM 0 HB3 ASN A 42 3.633 10.144 0.990 1.00 0.68 H new ATOM 0 HD21 ASN A 42 6.637 12.084 0.450 1.00 1.37 H new ATOM 0 HD22 ASN A 42 6.032 10.451 0.743 1.00 1.37 H new ATOM 628 N LYS A 43 2.108 8.075 -2.108 1.00 0.70 N ATOM 629 CA LYS A 43 0.901 7.267 -2.230 1.00 0.64 C ATOM 630 C LYS A 43 1.177 5.933 -2.902 1.00 0.60 C ATOM 631 O LYS A 43 1.901 5.879 -3.895 1.00 0.76 O ATOM 632 CB LYS A 43 -0.196 8.072 -2.945 1.00 0.74 C ATOM 633 CG LYS A 43 -1.532 7.326 -3.082 1.00 1.78 C ATOM 634 CD LYS A 43 -1.689 6.636 -4.446 1.00 1.64 C ATOM 635 CE LYS A 43 -2.067 7.646 -5.544 1.00 1.56 C ATOM 636 NZ LYS A 43 -2.522 6.978 -6.782 1.00 2.13 N ATOM 0 H LYS A 43 2.756 7.986 -2.891 1.00 0.70 H new ATOM 0 HA LYS A 43 0.542 7.024 -1.230 1.00 0.64 H new ATOM 0 HB2 LYS A 43 -0.365 9.000 -2.399 1.00 0.74 H new ATOM 0 HB3 LYS A 43 0.158 8.346 -3.939 1.00 0.74 H new ATOM 0 HG2 LYS A 43 -1.610 6.580 -2.291 1.00 1.78 H new ATOM 0 HG3 LYS A 43 -2.352 8.029 -2.939 1.00 1.78 H new ATOM 0 HD2 LYS A 43 -0.757 6.137 -4.713 1.00 1.64 H new ATOM 0 HD3 LYS A 43 -2.456 5.864 -4.379 1.00 1.64 H new ATOM 0 HE2 LYS A 43 -2.856 8.302 -5.176 1.00 1.56 H new ATOM 0 HE3 LYS A 43 -1.206 8.276 -5.768 1.00 1.56 H new ATOM 0 HZ1 LYS A 43 -2.048 7.407 -7.602 1.00 2.13 H new ATOM 0 HZ2 LYS A 43 -2.288 5.966 -6.737 1.00 2.13 H new ATOM 0 HZ3 LYS A 43 -3.551 7.091 -6.879 1.00 2.13 H new ATOM 650 N ALA A 44 0.566 4.882 -2.343 1.00 0.58 N ATOM 651 CA ALA A 44 0.583 3.508 -2.805 1.00 0.58 C ATOM 652 C ALA A 44 -0.811 3.138 -3.290 1.00 0.55 C ATOM 653 O ALA A 44 -1.760 3.156 -2.508 1.00 0.69 O ATOM 654 CB ALA A 44 1.027 2.595 -1.659 1.00 0.65 C ATOM 0 H ALA A 44 0.009 4.988 -1.495 1.00 0.58 H new ATOM 0 HA ALA A 44 1.286 3.389 -3.630 1.00 0.58 H new ATOM 0 HB1 ALA A 44 1.041 1.561 -2.002 1.00 0.65 H new ATOM 0 HB2 ALA A 44 2.026 2.882 -1.331 1.00 0.65 H new ATOM 0 HB3 ALA A 44 0.330 2.691 -0.826 1.00 0.65 H new ATOM 660 N HIS A 45 -0.939 2.817 -4.577 1.00 0.49 N ATOM 661 CA HIS A 45 -2.113 2.204 -5.134 1.00 0.49 C ATOM 662 C HIS A 45 -1.899 0.710 -4.920 1.00 0.42 C ATOM 663 O HIS A 45 -1.095 0.100 -5.623 1.00 0.67 O ATOM 664 CB HIS A 45 -2.140 2.637 -6.599 1.00 0.73 C ATOM 665 CG HIS A 45 -3.108 1.956 -7.516 1.00 0.93 C ATOM 666 ND1 HIS A 45 -3.121 2.174 -8.869 1.00 1.66 N ATOM 667 CD2 HIS A 45 -3.920 0.881 -7.256 1.00 1.35 C ATOM 668 CE1 HIS A 45 -3.920 1.252 -9.412 1.00 2.28 C ATOM 669 NE2 HIS A 45 -4.434 0.439 -8.479 1.00 2.08 N ATOM 0 H HIS A 45 -0.205 2.986 -5.265 1.00 0.49 H new ATOM 0 HA HIS A 45 -3.072 2.479 -4.695 1.00 0.49 H new ATOM 0 HB2 HIS A 45 -2.349 3.706 -6.627 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -1.139 2.497 -7.007 1.00 0.73 H new ATOM 0 HD1 HIS A 45 -2.614 2.905 -9.369 1.00 1.66 H new ATOM 0 HD2 HIS A 45 -4.125 0.455 -6.285 1.00 1.35 H new ATOM 0 HE1 HIS A 45 -4.126 1.172 -10.469 1.00 2.28 H new ATOM 677 N ILE A 46 -2.588 0.140 -3.932 1.00 0.42 N ATOM 678 CA ILE A 46 -2.592 -1.296 -3.692 1.00 0.38 C ATOM 679 C ILE A 46 -3.698 -1.890 -4.558 1.00 0.43 C ATOM 680 O ILE A 46 -4.804 -1.347 -4.573 1.00 0.70 O ATOM 681 CB ILE A 46 -2.819 -1.575 -2.193 1.00 0.45 C ATOM 682 CG1 ILE A 46 -1.500 -1.493 -1.408 1.00 0.59 C ATOM 683 CG2 ILE A 46 -3.416 -2.970 -1.955 1.00 0.84 C ATOM 684 CD1 ILE A 46 -0.803 -0.138 -1.504 1.00 1.09 C ATOM 0 H ILE A 46 -3.161 0.668 -3.274 1.00 0.42 H new ATOM 0 HA ILE A 46 -1.638 -1.752 -3.955 1.00 0.38 H new ATOM 0 HB ILE A 46 -3.517 -0.813 -1.846 1.00 0.45 H new ATOM 0 HG12 ILE A 46 -1.699 -1.714 -0.359 1.00 0.59 H new ATOM 0 HG13 ILE A 46 -0.823 -2.265 -1.774 1.00 0.59 H new ATOM 0 HG21 ILE A 46 -3.560 -3.126 -0.886 1.00 0.84 H new ATOM 0 HG22 ILE A 46 -4.376 -3.047 -2.466 1.00 0.84 H new ATOM 0 HG23 ILE A 46 -2.736 -3.728 -2.344 1.00 0.84 H new ATOM 0 HD11 ILE A 46 0.119 -0.161 -0.924 1.00 1.09 H new ATOM 0 HD12 ILE A 46 -0.570 0.078 -2.547 1.00 1.09 H new ATOM 0 HD13 ILE A 46 -1.460 0.638 -1.110 1.00 1.09 H new ATOM 696 N LYS A 47 -3.409 -2.998 -5.251 1.00 0.48 N ATOM 697 CA LYS A 47 -4.402 -3.798 -5.940 1.00 0.52 C ATOM 698 C LYS A 47 -4.483 -5.142 -5.226 1.00 0.51 C ATOM 699 O LYS A 47 -3.476 -5.853 -5.156 1.00 0.79 O ATOM 700 CB LYS A 47 -4.010 -3.971 -7.404 1.00 0.64 C ATOM 701 CG LYS A 47 -3.882 -2.616 -8.106 1.00 0.65 C ATOM 702 CD LYS A 47 -4.143 -2.803 -9.608 1.00 0.83 C ATOM 703 CE LYS A 47 -5.660 -2.825 -9.869 1.00 1.93 C ATOM 704 NZ LYS A 47 -6.049 -3.640 -11.032 1.00 2.59 N ATOM 0 H LYS A 47 -2.460 -3.361 -5.344 1.00 0.48 H new ATOM 0 HA LYS A 47 -5.377 -3.312 -5.923 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.064 -4.508 -7.469 1.00 0.64 H new ATOM 0 HB3 LYS A 47 -4.757 -4.579 -7.914 1.00 0.64 H new ATOM 0 HG2 LYS A 47 -4.594 -1.906 -7.686 1.00 0.65 H new ATOM 0 HG3 LYS A 47 -2.887 -2.202 -7.946 1.00 0.65 H new ATOM 0 HD2 LYS A 47 -3.678 -1.994 -10.172 1.00 0.83 H new ATOM 0 HD3 LYS A 47 -3.691 -3.733 -9.953 1.00 0.83 H new ATOM 0 HE2 LYS A 47 -6.167 -3.207 -8.983 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -6.009 -1.803 -10.020 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -7.082 -3.609 -11.148 1.00 2.59 H new ATOM 0 HZ2 LYS A 47 -5.593 -3.264 -11.888 1.00 2.59 H new ATOM 0 HZ3 LYS A 47 -5.747 -4.624 -10.883 1.00 2.59 H new ATOM 718 N TYR A 48 -5.651 -5.471 -4.672 1.00 0.67 N ATOM 719 CA TYR A 48 -5.839 -6.604 -3.782 1.00 0.63 C ATOM 720 C TYR A 48 -6.994 -7.491 -4.241 1.00 0.67 C ATOM 721 O TYR A 48 -7.979 -7.016 -4.808 1.00 0.94 O ATOM 722 CB TYR A 48 -6.040 -6.124 -2.340 1.00 0.84 C ATOM 723 CG TYR A 48 -7.397 -5.511 -2.039 1.00 1.09 C ATOM 724 CD1 TYR A 48 -7.696 -4.202 -2.458 1.00 2.06 C ATOM 725 CD2 TYR A 48 -8.363 -6.252 -1.330 1.00 2.26 C ATOM 726 CE1 TYR A 48 -8.954 -3.641 -2.172 1.00 2.42 C ATOM 727 CE2 TYR A 48 -9.603 -5.675 -1.009 1.00 2.61 C ATOM 728 CZ TYR A 48 -9.902 -4.372 -1.440 1.00 2.12 C ATOM 729 OH TYR A 48 -11.111 -3.816 -1.150 1.00 2.72 O ATOM 0 H TYR A 48 -6.507 -4.942 -4.837 1.00 0.67 H new ATOM 0 HA TYR A 48 -4.936 -7.214 -3.815 1.00 0.63 H new ATOM 0 HB2 TYR A 48 -5.885 -6.969 -1.669 1.00 0.84 H new ATOM 0 HB3 TYR A 48 -5.269 -5.389 -2.109 1.00 0.84 H new ATOM 0 HD1 TYR A 48 -6.959 -3.627 -3.000 1.00 2.06 H new ATOM 0 HD2 TYR A 48 -8.149 -7.268 -1.032 1.00 2.26 H new ATOM 0 HE1 TYR A 48 -9.191 -2.645 -2.517 1.00 2.42 H new ATOM 0 HE2 TYR A 48 -10.326 -6.233 -0.432 1.00 2.61 H new ATOM 0 HH TYR A 48 -11.651 -4.455 -0.639 1.00 2.72 H new ATOM 739 N ASP A 49 -6.867 -8.784 -3.963 1.00 0.61 N ATOM 740 CA ASP A 49 -7.893 -9.783 -4.188 1.00 0.85 C ATOM 741 C ASP A 49 -8.918 -9.618 -3.060 1.00 0.82 C ATOM 742 O ASP A 49 -8.548 -9.777 -1.895 1.00 0.66 O ATOM 743 CB ASP A 49 -7.261 -11.184 -4.143 1.00 1.02 C ATOM 744 CG ASP A 49 -6.082 -11.361 -5.092 1.00 2.04 C ATOM 745 OD1 ASP A 49 -6.212 -10.946 -6.262 1.00 2.68 O ATOM 746 OD2 ASP A 49 -5.083 -11.959 -4.625 1.00 3.11 O ATOM 0 H ASP A 49 -6.015 -9.174 -3.561 1.00 0.61 H new ATOM 0 HA ASP A 49 -8.369 -9.662 -5.161 1.00 0.85 H new ATOM 0 HB2 ASP A 49 -6.929 -11.390 -3.125 1.00 1.02 H new ATOM 0 HB3 ASP A 49 -8.024 -11.924 -4.385 1.00 1.02 H new ATOM 751 N PRO A 50 -10.183 -9.267 -3.347 1.00 1.14 N ATOM 752 CA PRO A 50 -11.160 -8.945 -2.318 1.00 1.31 C ATOM 753 C PRO A 50 -11.695 -10.221 -1.658 1.00 1.40 C ATOM 754 O PRO A 50 -12.857 -10.583 -1.835 1.00 2.17 O ATOM 755 CB PRO A 50 -12.239 -8.136 -3.047 1.00 1.73 C ATOM 756 CG PRO A 50 -12.223 -8.735 -4.453 1.00 1.83 C ATOM 757 CD PRO A 50 -10.741 -9.054 -4.671 1.00 1.48 C ATOM 0 HA PRO A 50 -10.742 -8.368 -1.493 1.00 1.31 H new ATOM 0 HB2 PRO A 50 -13.214 -8.244 -2.573 1.00 1.73 H new ATOM 0 HB3 PRO A 50 -12.007 -7.071 -3.059 1.00 1.73 H new ATOM 0 HG2 PRO A 50 -12.843 -9.629 -4.518 1.00 1.83 H new ATOM 0 HG3 PRO A 50 -12.599 -8.032 -5.196 1.00 1.83 H new ATOM 0 HD2 PRO A 50 -10.619 -9.940 -5.294 1.00 1.48 H new ATOM 0 HD3 PRO A 50 -10.235 -8.234 -5.181 1.00 1.48 H new ATOM 765 N GLU A 51 -10.836 -10.892 -0.887 1.00 1.12 N ATOM 766 CA GLU A 51 -11.150 -12.122 -0.179 1.00 1.35 C ATOM 767 C GLU A 51 -10.289 -12.239 1.084 1.00 1.22 C ATOM 768 O GLU A 51 -10.676 -11.748 2.140 1.00 1.75 O ATOM 769 CB GLU A 51 -11.016 -13.332 -1.122 1.00 1.83 C ATOM 770 CG GLU A 51 -9.873 -13.211 -2.144 1.00 2.67 C ATOM 771 CD GLU A 51 -9.388 -14.587 -2.568 1.00 3.81 C ATOM 772 OE1 GLU A 51 -10.184 -15.319 -3.187 1.00 4.15 O ATOM 773 OE2 GLU A 51 -8.217 -14.886 -2.246 1.00 5.02 O ATOM 0 H GLU A 51 -9.876 -10.580 -0.738 1.00 1.12 H new ATOM 0 HA GLU A 51 -12.188 -12.103 0.152 1.00 1.35 H new ATOM 0 HB2 GLU A 51 -10.860 -14.229 -0.523 1.00 1.83 H new ATOM 0 HB3 GLU A 51 -11.955 -13.466 -1.658 1.00 1.83 H new ATOM 0 HG2 GLU A 51 -10.215 -12.655 -3.017 1.00 2.67 H new ATOM 0 HG3 GLU A 51 -9.048 -12.646 -1.710 1.00 2.67 H new ATOM 780 N ILE A 52 -9.133 -12.907 0.993 1.00 1.24 N ATOM 781 CA ILE A 52 -8.317 -13.233 2.158 1.00 1.23 C ATOM 782 C ILE A 52 -7.769 -11.994 2.875 1.00 1.04 C ATOM 783 O ILE A 52 -7.538 -12.040 4.080 1.00 1.26 O ATOM 784 CB ILE A 52 -7.180 -14.201 1.779 1.00 1.60 C ATOM 785 CG1 ILE A 52 -6.245 -13.646 0.687 1.00 1.42 C ATOM 786 CG2 ILE A 52 -7.763 -15.558 1.362 1.00 2.33 C ATOM 787 CD1 ILE A 52 -4.890 -14.359 0.688 1.00 2.13 C ATOM 0 H ILE A 52 -8.742 -13.234 0.110 1.00 1.24 H new ATOM 0 HA ILE A 52 -8.978 -13.730 2.868 1.00 1.23 H new ATOM 0 HB ILE A 52 -6.561 -14.327 2.668 1.00 1.60 H new ATOM 0 HG12 ILE A 52 -6.716 -13.761 -0.289 1.00 1.42 H new ATOM 0 HG13 ILE A 52 -6.095 -12.578 0.845 1.00 1.42 H new ATOM 0 HG21 ILE A 52 -6.952 -16.236 1.096 1.00 2.33 H new ATOM 0 HG22 ILE A 52 -8.331 -15.980 2.191 1.00 2.33 H new ATOM 0 HG23 ILE A 52 -8.420 -15.423 0.503 1.00 2.33 H new ATOM 0 HD11 ILE A 52 -4.258 -13.941 -0.095 1.00 2.13 H new ATOM 0 HD12 ILE A 52 -4.407 -14.222 1.656 1.00 2.13 H new ATOM 0 HD13 ILE A 52 -5.039 -15.423 0.504 1.00 2.13 H new ATOM 799 N ILE A 53 -7.510 -10.920 2.128 1.00 0.82 N ATOM 800 CA ILE A 53 -6.862 -9.707 2.607 1.00 0.70 C ATOM 801 C ILE A 53 -7.873 -8.558 2.544 1.00 0.60 C ATOM 802 O ILE A 53 -8.603 -8.443 1.560 1.00 0.70 O ATOM 803 CB ILE A 53 -5.607 -9.445 1.748 1.00 0.68 C ATOM 804 CG1 ILE A 53 -4.729 -8.323 2.323 1.00 0.91 C ATOM 805 CG2 ILE A 53 -5.941 -9.108 0.291 1.00 0.67 C ATOM 806 CD1 ILE A 53 -3.682 -8.889 3.281 1.00 1.07 C ATOM 0 H ILE A 53 -7.756 -10.873 1.139 1.00 0.82 H new ATOM 0 HA ILE A 53 -6.536 -9.804 3.643 1.00 0.70 H new ATOM 0 HB ILE A 53 -5.054 -10.384 1.772 1.00 0.68 H new ATOM 0 HG12 ILE A 53 -4.235 -7.790 1.511 1.00 0.91 H new ATOM 0 HG13 ILE A 53 -5.353 -7.599 2.846 1.00 0.91 H new ATOM 0 HG21 ILE A 53 -5.018 -8.934 -0.263 1.00 0.67 H new ATOM 0 HG22 ILE A 53 -6.484 -9.939 -0.160 1.00 0.67 H new ATOM 0 HG23 ILE A 53 -6.559 -8.211 0.258 1.00 0.67 H new ATOM 0 HD11 ILE A 53 -3.072 -8.076 3.675 1.00 1.07 H new ATOM 0 HD12 ILE A 53 -4.181 -9.401 4.104 1.00 1.07 H new ATOM 0 HD13 ILE A 53 -3.045 -9.595 2.748 1.00 1.07 H new ATOM 818 N GLY A 54 -7.917 -7.707 3.573 1.00 0.57 N ATOM 819 CA GLY A 54 -8.723 -6.504 3.593 1.00 0.59 C ATOM 820 C GLY A 54 -7.848 -5.255 3.733 1.00 0.55 C ATOM 821 O GLY A 54 -6.624 -5.334 3.874 1.00 0.55 O ATOM 0 H GLY A 54 -7.379 -7.847 4.428 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -9.309 -6.440 2.676 1.00 0.59 H new ATOM 0 HA3 GLY A 54 -9.431 -6.551 4.421 1.00 0.59 H new ATOM 825 N PRO A 55 -8.484 -4.073 3.699 1.00 0.65 N ATOM 826 CA PRO A 55 -7.820 -2.793 3.874 1.00 0.71 C ATOM 827 C PRO A 55 -7.079 -2.741 5.208 1.00 0.74 C ATOM 828 O PRO A 55 -5.962 -2.239 5.256 1.00 0.76 O ATOM 829 CB PRO A 55 -8.920 -1.729 3.772 1.00 0.89 C ATOM 830 CG PRO A 55 -10.210 -2.493 4.068 1.00 0.97 C ATOM 831 CD PRO A 55 -9.911 -3.882 3.510 1.00 0.83 C ATOM 0 HA PRO A 55 -7.057 -2.623 3.114 1.00 0.71 H new ATOM 0 HB2 PRO A 55 -8.762 -0.923 4.488 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.944 -1.275 2.781 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -10.427 -2.523 5.136 1.00 0.97 H new ATOM 0 HG3 PRO A 55 -11.072 -2.037 3.580 1.00 0.97 H new ATOM 0 HD2 PRO A 55 -10.483 -4.648 4.034 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -10.180 -3.949 2.456 1.00 0.83 H new ATOM 839 N ARG A 56 -7.680 -3.258 6.286 1.00 0.79 N ATOM 840 CA ARG A 56 -7.025 -3.312 7.588 1.00 0.87 C ATOM 841 C ARG A 56 -5.697 -4.062 7.496 1.00 0.81 C ATOM 842 O ARG A 56 -4.663 -3.541 7.904 1.00 0.84 O ATOM 843 CB ARG A 56 -7.931 -3.973 8.632 1.00 1.01 C ATOM 844 CG ARG A 56 -9.136 -3.093 8.976 1.00 2.33 C ATOM 845 CD ARG A 56 -9.874 -3.687 10.179 1.00 2.65 C ATOM 846 NE ARG A 56 -10.991 -2.827 10.598 1.00 4.17 N ATOM 847 CZ ARG A 56 -11.726 -3.018 11.706 1.00 5.02 C ATOM 848 NH1 ARG A 56 -11.484 -4.076 12.489 1.00 4.78 N ATOM 849 NH2 ARG A 56 -12.696 -2.154 12.025 1.00 6.58 N ATOM 0 H ARG A 56 -8.624 -3.645 6.277 1.00 0.79 H new ATOM 0 HA ARG A 56 -6.827 -2.287 7.902 1.00 0.87 H new ATOM 0 HB2 ARG A 56 -8.279 -4.935 8.255 1.00 1.01 H new ATOM 0 HB3 ARG A 56 -7.357 -4.174 9.537 1.00 1.01 H new ATOM 0 HG2 ARG A 56 -8.807 -2.079 9.202 1.00 2.33 H new ATOM 0 HG3 ARG A 56 -9.808 -3.027 8.120 1.00 2.33 H new ATOM 0 HD2 ARG A 56 -10.251 -4.678 9.924 1.00 2.65 H new ATOM 0 HD3 ARG A 56 -9.179 -3.814 11.009 1.00 2.65 H new ATOM 0 HE ARG A 56 -11.224 -2.030 10.006 1.00 4.17 H new ATOM 0 HH11 ARG A 56 -10.744 -4.733 12.244 1.00 4.78 H new ATOM 0 HH12 ARG A 56 -12.040 -4.225 13.331 1.00 4.78 H new ATOM 0 HH21 ARG A 56 -12.879 -1.348 11.426 1.00 6.58 H new ATOM 0 HH22 ARG A 56 -13.253 -2.301 12.867 1.00 6.58 H new ATOM 863 N ASP A 57 -5.723 -5.286 6.966 1.00 0.82 N ATOM 864 CA ASP A 57 -4.542 -6.129 6.864 1.00 0.84 C ATOM 865 C ASP A 57 -3.455 -5.374 6.110 1.00 0.78 C ATOM 866 O ASP A 57 -2.323 -5.259 6.579 1.00 0.76 O ATOM 867 CB ASP A 57 -4.887 -7.439 6.144 1.00 0.97 C ATOM 868 CG ASP A 57 -6.201 -8.030 6.615 1.00 1.77 C ATOM 869 OD1 ASP A 57 -7.227 -7.464 6.175 1.00 2.88 O ATOM 870 OD2 ASP A 57 -6.161 -8.999 7.401 1.00 2.28 O ATOM 0 H ASP A 57 -6.570 -5.717 6.595 1.00 0.82 H new ATOM 0 HA ASP A 57 -4.181 -6.376 7.862 1.00 0.84 H new ATOM 0 HB2 ASP A 57 -4.938 -7.258 5.070 1.00 0.97 H new ATOM 0 HB3 ASP A 57 -4.088 -8.162 6.308 1.00 0.97 H new ATOM 875 N ILE A 58 -3.815 -4.826 4.947 1.00 0.79 N ATOM 876 CA ILE A 58 -2.925 -4.003 4.141 1.00 0.80 C ATOM 877 C ILE A 58 -2.339 -2.854 4.959 1.00 0.76 C ATOM 878 O ILE A 58 -1.121 -2.665 4.994 1.00 0.80 O ATOM 879 CB ILE A 58 -3.685 -3.501 2.901 1.00 0.87 C ATOM 880 CG1 ILE A 58 -3.801 -4.621 1.860 1.00 0.76 C ATOM 881 CG2 ILE A 58 -3.067 -2.236 2.292 1.00 0.99 C ATOM 882 CD1 ILE A 58 -2.470 -4.929 1.176 1.00 2.04 C ATOM 0 H ILE A 58 -4.742 -4.945 4.539 1.00 0.79 H new ATOM 0 HA ILE A 58 -2.079 -4.605 3.809 1.00 0.80 H new ATOM 0 HB ILE A 58 -4.685 -3.218 3.230 1.00 0.87 H new ATOM 0 HG12 ILE A 58 -4.174 -5.524 2.343 1.00 0.76 H new ATOM 0 HG13 ILE A 58 -4.535 -4.336 1.106 1.00 0.76 H new ATOM 0 HG21 ILE A 58 -3.647 -1.931 1.421 1.00 0.99 H new ATOM 0 HG22 ILE A 58 -3.074 -1.435 3.032 1.00 0.99 H new ATOM 0 HG23 ILE A 58 -2.040 -2.442 1.990 1.00 0.99 H new ATOM 0 HD11 ILE A 58 -2.611 -5.729 0.449 1.00 2.04 H new ATOM 0 HD12 ILE A 58 -2.107 -4.036 0.667 1.00 2.04 H new ATOM 0 HD13 ILE A 58 -1.741 -5.242 1.923 1.00 2.04 H new ATOM 894 N ILE A 59 -3.204 -2.081 5.609 1.00 0.74 N ATOM 895 CA ILE A 59 -2.793 -0.963 6.435 1.00 0.77 C ATOM 896 C ILE A 59 -1.752 -1.448 7.440 1.00 0.78 C ATOM 897 O ILE A 59 -0.647 -0.923 7.469 1.00 0.83 O ATOM 898 CB ILE A 59 -4.028 -0.297 7.068 1.00 0.78 C ATOM 899 CG1 ILE A 59 -4.690 0.611 6.019 1.00 0.82 C ATOM 900 CG2 ILE A 59 -3.713 0.465 8.364 1.00 0.82 C ATOM 901 CD1 ILE A 59 -6.141 0.922 6.375 1.00 0.83 C ATOM 0 H ILE A 59 -4.214 -2.218 5.574 1.00 0.74 H new ATOM 0 HA ILE A 59 -2.314 -0.184 5.842 1.00 0.77 H new ATOM 0 HB ILE A 59 -4.721 -1.083 7.368 1.00 0.78 H new ATOM 0 HG12 ILE A 59 -4.128 1.541 5.937 1.00 0.82 H new ATOM 0 HG13 ILE A 59 -4.651 0.128 5.043 1.00 0.82 H new ATOM 0 HG21 ILE A 59 -4.628 0.909 8.756 1.00 0.82 H new ATOM 0 HG22 ILE A 59 -3.300 -0.224 9.100 1.00 0.82 H new ATOM 0 HG23 ILE A 59 -2.988 1.252 8.156 1.00 0.82 H new ATOM 0 HD11 ILE A 59 -6.573 1.566 5.609 1.00 0.83 H new ATOM 0 HD12 ILE A 59 -6.709 -0.007 6.431 1.00 0.83 H new ATOM 0 HD13 ILE A 59 -6.178 1.429 7.339 1.00 0.83 H new ATOM 913 N HIS A 60 -2.060 -2.494 8.204 1.00 0.75 N ATOM 914 CA HIS A 60 -1.179 -2.977 9.259 1.00 0.77 C ATOM 915 C HIS A 60 0.133 -3.494 8.675 1.00 0.74 C ATOM 916 O HIS A 60 1.212 -3.279 9.233 1.00 0.76 O ATOM 917 CB HIS A 60 -1.917 -4.015 10.109 1.00 0.87 C ATOM 918 CG HIS A 60 -3.156 -3.442 10.754 1.00 1.40 C ATOM 919 ND1 HIS A 60 -3.301 -2.153 11.221 1.00 2.86 N ATOM 920 CD2 HIS A 60 -4.373 -4.062 10.873 1.00 1.41 C ATOM 921 CE1 HIS A 60 -4.578 -2.006 11.610 1.00 3.17 C ATOM 922 NE2 HIS A 60 -5.274 -3.142 11.422 1.00 2.20 N ATOM 0 H HIS A 60 -2.924 -3.027 8.108 1.00 0.75 H new ATOM 0 HA HIS A 60 -0.906 -2.155 9.921 1.00 0.77 H new ATOM 0 HB2 HIS A 60 -2.194 -4.864 9.484 1.00 0.87 H new ATOM 0 HB3 HIS A 60 -1.248 -4.392 10.882 1.00 0.87 H new ATOM 0 HD1 HIS A 60 -2.572 -1.441 11.263 1.00 2.86 H new ATOM 0 HD2 HIS A 60 -4.597 -5.081 10.593 1.00 1.41 H new ATOM 0 HE1 HIS A 60 -4.992 -1.096 12.020 1.00 3.17 H new ATOM 930 N THR A 61 0.043 -4.140 7.514 1.00 0.76 N ATOM 931 CA THR A 61 1.210 -4.593 6.773 1.00 0.86 C ATOM 932 C THR A 61 2.126 -3.400 6.468 1.00 0.88 C ATOM 933 O THR A 61 3.330 -3.482 6.702 1.00 1.02 O ATOM 934 CB THR A 61 0.758 -5.366 5.524 1.00 0.95 C ATOM 935 OG1 THR A 61 0.021 -6.502 5.922 1.00 1.03 O ATOM 936 CG2 THR A 61 1.925 -5.863 4.664 1.00 1.12 C ATOM 0 H THR A 61 -0.844 -4.363 7.063 1.00 0.76 H new ATOM 0 HA THR A 61 1.802 -5.288 7.368 1.00 0.86 H new ATOM 0 HB THR A 61 0.165 -4.670 4.931 1.00 0.95 H new ATOM 0 HG1 THR A 61 -0.855 -6.222 6.261 1.00 1.03 H new ATOM 0 HG21 THR A 61 1.536 -6.400 3.799 1.00 1.12 H new ATOM 0 HG22 THR A 61 2.517 -5.012 4.327 1.00 1.12 H new ATOM 0 HG23 THR A 61 2.553 -6.531 5.254 1.00 1.12 H new ATOM 944 N ILE A 62 1.580 -2.280 5.982 1.00 0.78 N ATOM 945 CA ILE A 62 2.389 -1.092 5.719 1.00 0.75 C ATOM 946 C ILE A 62 2.861 -0.437 7.026 1.00 0.76 C ATOM 947 O ILE A 62 4.022 -0.042 7.119 1.00 0.82 O ATOM 948 CB ILE A 62 1.652 -0.097 4.810 1.00 0.66 C ATOM 949 CG1 ILE A 62 1.318 -0.721 3.444 1.00 0.70 C ATOM 950 CG2 ILE A 62 2.522 1.154 4.610 1.00 0.74 C ATOM 951 CD1 ILE A 62 0.258 0.094 2.701 1.00 1.38 C ATOM 0 H ILE A 62 0.589 -2.174 5.765 1.00 0.78 H new ATOM 0 HA ILE A 62 3.281 -1.413 5.180 1.00 0.75 H new ATOM 0 HB ILE A 62 0.713 0.174 5.293 1.00 0.66 H new ATOM 0 HG12 ILE A 62 2.223 -0.781 2.839 1.00 0.70 H new ATOM 0 HG13 ILE A 62 0.961 -1.741 3.586 1.00 0.70 H new ATOM 0 HG21 ILE A 62 2.000 1.861 3.965 1.00 0.74 H new ATOM 0 HG22 ILE A 62 2.717 1.620 5.576 1.00 0.74 H new ATOM 0 HG23 ILE A 62 3.467 0.870 4.147 1.00 0.74 H new ATOM 0 HD11 ILE A 62 0.046 -0.375 1.740 1.00 1.38 H new ATOM 0 HD12 ILE A 62 -0.655 0.132 3.296 1.00 1.38 H new ATOM 0 HD13 ILE A 62 0.626 1.107 2.537 1.00 1.38 H new ATOM 963 N GLU A 63 1.996 -0.313 8.037 1.00 0.70 N ATOM 964 CA GLU A 63 2.349 0.248 9.339 1.00 0.71 C ATOM 965 C GLU A 63 3.578 -0.465 9.902 1.00 0.68 C ATOM 966 O GLU A 63 4.493 0.186 10.398 1.00 0.68 O ATOM 967 CB GLU A 63 1.163 0.168 10.308 1.00 0.77 C ATOM 968 CG GLU A 63 0.041 1.143 9.912 1.00 1.51 C ATOM 969 CD GLU A 63 -1.241 0.963 10.722 1.00 2.19 C ATOM 970 OE1 GLU A 63 -1.466 -0.157 11.232 1.00 2.58 O ATOM 971 OE2 GLU A 63 -2.002 1.950 10.790 1.00 3.42 O ATOM 0 H GLU A 63 1.020 -0.603 7.971 1.00 0.70 H new ATOM 0 HA GLU A 63 2.595 1.302 9.212 1.00 0.71 H new ATOM 0 HB2 GLU A 63 0.773 -0.850 10.323 1.00 0.77 H new ATOM 0 HB3 GLU A 63 1.502 0.394 11.319 1.00 0.77 H new ATOM 0 HG2 GLU A 63 0.399 2.165 10.037 1.00 1.51 H new ATOM 0 HG3 GLU A 63 -0.186 1.012 8.854 1.00 1.51 H new ATOM 978 N SER A 64 3.638 -1.792 9.759 1.00 0.70 N ATOM 979 CA SER A 64 4.809 -2.575 10.146 1.00 0.72 C ATOM 980 C SER A 64 6.112 -2.063 9.507 1.00 0.66 C ATOM 981 O SER A 64 7.184 -2.226 10.085 1.00 0.80 O ATOM 982 CB SER A 64 4.586 -4.053 9.810 1.00 0.82 C ATOM 983 OG SER A 64 3.401 -4.534 10.415 1.00 1.87 O ATOM 0 H SER A 64 2.877 -2.350 9.372 1.00 0.70 H new ATOM 0 HA SER A 64 4.929 -2.460 11.223 1.00 0.72 H new ATOM 0 HB2 SER A 64 4.525 -4.179 8.729 1.00 0.82 H new ATOM 0 HB3 SER A 64 5.438 -4.641 10.152 1.00 0.82 H new ATOM 0 HG SER A 64 2.623 -4.183 9.934 1.00 1.87 H new ATOM 989 N LEU A 65 6.043 -1.453 8.318 1.00 0.59 N ATOM 990 CA LEU A 65 7.197 -0.875 7.634 1.00 0.64 C ATOM 991 C LEU A 65 7.547 0.516 8.171 1.00 0.64 C ATOM 992 O LEU A 65 8.649 0.999 7.897 1.00 0.82 O ATOM 993 CB LEU A 65 6.955 -0.798 6.119 1.00 0.68 C ATOM 994 CG LEU A 65 6.392 -2.085 5.503 1.00 0.74 C ATOM 995 CD1 LEU A 65 6.217 -1.891 3.994 1.00 0.97 C ATOM 996 CD2 LEU A 65 7.287 -3.298 5.774 1.00 0.89 C ATOM 0 H LEU A 65 5.171 -1.348 7.800 1.00 0.59 H new ATOM 0 HA LEU A 65 8.041 -1.536 7.831 1.00 0.64 H new ATOM 0 HB2 LEU A 65 6.265 0.021 5.914 1.00 0.68 H new ATOM 0 HB3 LEU A 65 7.895 -0.554 5.625 1.00 0.68 H new ATOM 0 HG LEU A 65 5.428 -2.285 5.971 1.00 0.74 H new ATOM 0 HD11 LEU A 65 5.817 -2.804 3.554 1.00 0.97 H new ATOM 0 HD12 LEU A 65 5.527 -1.067 3.811 1.00 0.97 H new ATOM 0 HD13 LEU A 65 7.182 -1.663 3.542 1.00 0.97 H new ATOM 0 HD21 LEU A 65 6.846 -4.185 5.318 1.00 0.89 H new ATOM 0 HD22 LEU A 65 8.275 -3.124 5.348 1.00 0.89 H new ATOM 0 HD23 LEU A 65 7.378 -3.450 6.850 1.00 0.89 H new ATOM 1008 N GLY A 66 6.638 1.151 8.916 1.00 0.58 N ATOM 1009 CA GLY A 66 6.855 2.424 9.585 1.00 0.61 C ATOM 1010 C GLY A 66 6.419 3.617 8.736 1.00 0.57 C ATOM 1011 O GLY A 66 7.117 4.628 8.714 1.00 0.67 O ATOM 0 H GLY A 66 5.702 0.776 9.071 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.306 2.433 10.527 1.00 0.61 H new ATOM 0 HA3 GLY A 66 7.912 2.525 9.831 1.00 0.61 H new ATOM 1015 N PHE A 67 5.259 3.522 8.074 1.00 0.47 N ATOM 1016 CA PHE A 67 4.642 4.627 7.343 1.00 0.44 C ATOM 1017 C PHE A 67 3.152 4.622 7.681 1.00 0.45 C ATOM 1018 O PHE A 67 2.661 3.597 8.149 1.00 0.51 O ATOM 1019 CB PHE A 67 4.845 4.434 5.835 1.00 0.43 C ATOM 1020 CG PHE A 67 6.231 3.965 5.424 1.00 0.45 C ATOM 1021 CD1 PHE A 67 7.356 4.767 5.686 1.00 1.69 C ATOM 1022 CD2 PHE A 67 6.393 2.730 4.769 1.00 1.81 C ATOM 1023 CE1 PHE A 67 8.623 4.378 5.220 1.00 1.66 C ATOM 1024 CE2 PHE A 67 7.658 2.345 4.297 1.00 1.87 C ATOM 1025 CZ PHE A 67 8.767 3.184 4.495 1.00 0.58 C ATOM 0 H PHE A 67 4.717 2.659 8.033 1.00 0.47 H new ATOM 0 HA PHE A 67 5.094 5.578 7.624 1.00 0.44 H new ATOM 0 HB2 PHE A 67 4.113 3.711 5.476 1.00 0.43 H new ATOM 0 HB3 PHE A 67 4.634 5.378 5.332 1.00 0.43 H new ATOM 0 HD1 PHE A 67 7.246 5.684 6.246 1.00 1.69 H new ATOM 0 HD2 PHE A 67 5.544 2.078 4.629 1.00 1.81 H new ATOM 0 HE1 PHE A 67 9.486 4.997 5.419 1.00 1.66 H new ATOM 0 HE2 PHE A 67 7.778 1.404 3.782 1.00 1.87 H new ATOM 0 HZ PHE A 67 9.730 2.911 4.090 1.00 0.58 H new ATOM 1035 N GLU A 68 2.430 5.721 7.440 1.00 0.51 N ATOM 1036 CA GLU A 68 1.019 5.834 7.786 1.00 0.55 C ATOM 1037 C GLU A 68 0.145 5.738 6.518 1.00 0.54 C ATOM 1038 O GLU A 68 -0.074 6.758 5.858 1.00 0.56 O ATOM 1039 CB GLU A 68 0.821 7.179 8.483 1.00 0.61 C ATOM 1040 CG GLU A 68 1.540 7.309 9.832 1.00 0.96 C ATOM 1041 CD GLU A 68 1.259 8.683 10.419 1.00 1.54 C ATOM 1042 OE1 GLU A 68 1.724 9.676 9.823 1.00 2.28 O ATOM 1043 OE2 GLU A 68 0.429 8.768 11.348 1.00 2.56 O ATOM 0 H GLU A 68 2.813 6.557 6.998 1.00 0.51 H new ATOM 0 HA GLU A 68 0.720 5.021 8.448 1.00 0.55 H new ATOM 0 HB2 GLU A 68 1.171 7.972 7.821 1.00 0.61 H new ATOM 0 HB3 GLU A 68 -0.246 7.340 8.637 1.00 0.61 H new ATOM 0 HG2 GLU A 68 1.199 6.532 10.516 1.00 0.96 H new ATOM 0 HG3 GLU A 68 2.613 7.169 9.701 1.00 0.96 H new ATOM 1050 N PRO A 69 -0.361 4.547 6.148 1.00 0.63 N ATOM 1051 CA PRO A 69 -1.102 4.329 4.910 1.00 0.75 C ATOM 1052 C PRO A 69 -2.503 4.948 4.992 1.00 0.92 C ATOM 1053 O PRO A 69 -3.489 4.294 5.324 1.00 1.33 O ATOM 1054 CB PRO A 69 -1.113 2.810 4.727 1.00 0.80 C ATOM 1055 CG PRO A 69 -1.152 2.309 6.161 1.00 0.77 C ATOM 1056 CD PRO A 69 -0.232 3.293 6.876 1.00 0.72 C ATOM 0 HA PRO A 69 -0.647 4.814 4.047 1.00 0.75 H new ATOM 0 HB2 PRO A 69 -1.979 2.476 4.156 1.00 0.80 H new ATOM 0 HB3 PRO A 69 -0.228 2.458 4.198 1.00 0.80 H new ATOM 0 HG2 PRO A 69 -2.162 2.326 6.570 1.00 0.77 H new ATOM 0 HG3 PRO A 69 -0.792 1.283 6.243 1.00 0.77 H new ATOM 0 HD2 PRO A 69 -0.522 3.414 7.920 1.00 0.72 H new ATOM 0 HD3 PRO A 69 0.799 2.941 6.871 1.00 0.72 H new ATOM 1064 N SER A 70 -2.585 6.237 4.680 1.00 0.85 N ATOM 1065 CA SER A 70 -3.768 7.052 4.871 1.00 0.95 C ATOM 1066 C SER A 70 -4.715 6.898 3.678 1.00 0.88 C ATOM 1067 O SER A 70 -4.523 7.559 2.661 1.00 0.87 O ATOM 1068 CB SER A 70 -3.319 8.510 5.051 1.00 1.17 C ATOM 1069 OG SER A 70 -2.294 8.608 6.028 1.00 1.97 O ATOM 0 H SER A 70 -1.804 6.754 4.276 1.00 0.85 H new ATOM 0 HA SER A 70 -4.315 6.732 5.758 1.00 0.95 H new ATOM 0 HB2 SER A 70 -2.959 8.904 4.100 1.00 1.17 H new ATOM 0 HB3 SER A 70 -4.170 9.123 5.348 1.00 1.17 H new ATOM 0 HG SER A 70 -1.538 8.041 5.767 1.00 1.97 H new ATOM 1075 N LEU A 71 -5.728 6.033 3.781 1.00 0.95 N ATOM 1076 CA LEU A 71 -6.802 5.917 2.799 1.00 0.93 C ATOM 1077 C LEU A 71 -7.382 7.296 2.460 1.00 1.07 C ATOM 1078 O LEU A 71 -8.127 7.865 3.254 1.00 1.53 O ATOM 1079 CB LEU A 71 -7.889 4.967 3.344 1.00 1.09 C ATOM 1080 CG LEU A 71 -8.181 3.836 2.356 1.00 2.51 C ATOM 1081 CD1 LEU A 71 -9.091 2.791 3.012 1.00 2.24 C ATOM 1082 CD2 LEU A 71 -8.836 4.355 1.072 1.00 4.63 C ATOM 0 H LEU A 71 -5.823 5.385 4.563 1.00 0.95 H new ATOM 0 HA LEU A 71 -6.403 5.500 1.874 1.00 0.93 H new ATOM 0 HB2 LEU A 71 -7.565 4.547 4.296 1.00 1.09 H new ATOM 0 HB3 LEU A 71 -8.803 5.529 3.538 1.00 1.09 H new ATOM 0 HG LEU A 71 -7.228 3.381 2.086 1.00 2.51 H new ATOM 0 HD11 LEU A 71 -9.294 1.989 2.302 1.00 2.24 H new ATOM 0 HD12 LEU A 71 -8.597 2.380 3.893 1.00 2.24 H new ATOM 0 HD13 LEU A 71 -10.029 3.260 3.308 1.00 2.24 H new ATOM 0 HD21 LEU A 71 -9.027 3.520 0.398 1.00 4.63 H new ATOM 0 HD22 LEU A 71 -9.778 4.846 1.317 1.00 4.63 H new ATOM 0 HD23 LEU A 71 -8.170 5.069 0.587 1.00 4.63 H new ATOM 1094 N VAL A 72 -7.015 7.854 1.303 1.00 1.26 N ATOM 1095 CA VAL A 72 -7.352 9.236 0.976 1.00 1.42 C ATOM 1096 C VAL A 72 -8.824 9.387 0.592 1.00 1.35 C ATOM 1097 O VAL A 72 -9.481 10.329 1.026 1.00 2.23 O ATOM 1098 CB VAL A 72 -6.385 9.782 -0.084 1.00 2.23 C ATOM 1099 CG1 VAL A 72 -6.482 9.088 -1.450 1.00 3.68 C ATOM 1100 CG2 VAL A 72 -6.549 11.295 -0.265 1.00 3.37 C ATOM 0 H VAL A 72 -6.485 7.368 0.580 1.00 1.26 H new ATOM 0 HA VAL A 72 -7.225 9.848 1.869 1.00 1.42 H new ATOM 0 HB VAL A 72 -5.393 9.559 0.309 1.00 2.23 H new ATOM 0 HG11 VAL A 72 -5.765 9.536 -2.138 1.00 3.68 H new ATOM 0 HG12 VAL A 72 -6.261 8.027 -1.335 1.00 3.68 H new ATOM 0 HG13 VAL A 72 -7.490 9.208 -1.848 1.00 3.68 H new ATOM 0 HG21 VAL A 72 -5.850 11.649 -1.022 1.00 3.37 H new ATOM 0 HG22 VAL A 72 -7.569 11.515 -0.581 1.00 3.37 H new ATOM 0 HG23 VAL A 72 -6.346 11.799 0.680 1.00 3.37 H new