USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 525 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -3.53 K(o=-3.5,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 THR OG1 : rot 170:sc= -0.614 USER MOD Single : A 35 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.91) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 89:sc= -0.647 USER MOD Single : A 72 SER OG : rot 173:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.928 -0.289 -0.445 1.00 55.11 N ATOM 19 CA LYS A 2 5.379 -0.313 -0.586 1.00 55.45 C ATOM 20 C LYS A 2 5.809 0.347 -1.893 1.00 12.23 C ATOM 21 O LYS A 2 5.413 -0.082 -2.977 1.00 24.54 O ATOM 22 CB LYS A 2 5.893 -1.753 -0.537 1.00 31.03 C ATOM 23 CG LYS A 2 5.533 -2.484 0.745 1.00 11.54 C ATOM 24 CD LYS A 2 6.680 -3.353 1.233 1.00 10.50 C ATOM 25 CE LYS A 2 6.212 -4.763 1.556 1.00 63.42 C ATOM 26 NZ LYS A 2 6.747 -5.240 2.861 1.00 23.12 N ATOM 0 HA LYS A 2 5.809 0.248 0.244 1.00 55.45 H new ATOM 0 HB2 LYS A 2 5.487 -2.304 -1.386 1.00 31.03 H new ATOM 0 HB3 LYS A 2 6.977 -1.747 -0.650 1.00 31.03 H new ATOM 0 HG2 LYS A 2 5.270 -1.760 1.516 1.00 11.54 H new ATOM 0 HG3 LYS A 2 4.652 -3.104 0.576 1.00 11.54 H new ATOM 0 HD2 LYS A 2 7.458 -3.392 0.471 1.00 10.50 H new ATOM 0 HD3 LYS A 2 7.126 -2.904 2.121 1.00 10.50 H new ATOM 0 HE2 LYS A 2 5.123 -4.787 1.579 1.00 63.42 H new ATOM 0 HE3 LYS A 2 6.529 -5.441 0.764 1.00 63.42 H new ATOM 0 HZ1 LYS A 2 6.405 -6.205 3.045 1.00 23.12 H new ATOM 0 HZ2 LYS A 2 7.787 -5.241 2.831 1.00 23.12 H new ATOM 0 HZ3 LYS A 2 6.424 -4.608 3.621 1.00 23.12 H new ATOM 40 N VAL A 3 6.622 1.393 -1.783 1.00 22.34 N ATOM 41 CA VAL A 3 7.108 2.110 -2.955 1.00 43.12 C ATOM 42 C VAL A 3 8.626 2.017 -3.066 1.00 71.24 C ATOM 43 O VAL A 3 9.343 2.200 -2.083 1.00 23.13 O ATOM 44 CB VAL A 3 6.698 3.594 -2.916 1.00 14.05 C ATOM 45 CG1 VAL A 3 6.711 4.190 -4.315 1.00 62.41 C ATOM 46 CG2 VAL A 3 5.327 3.750 -2.274 1.00 41.11 C ATOM 0 H VAL A 3 6.958 1.762 -0.894 1.00 22.34 H new ATOM 0 HA VAL A 3 6.653 1.638 -3.825 1.00 43.12 H new ATOM 0 HB VAL A 3 7.423 4.137 -2.310 1.00 14.05 H new ATOM 0 HG11 VAL A 3 6.419 5.239 -4.266 1.00 62.41 H new ATOM 0 HG12 VAL A 3 7.714 4.112 -4.734 1.00 62.41 H new ATOM 0 HG13 VAL A 3 6.010 3.647 -4.948 1.00 62.41 H new ATOM 0 HG21 VAL A 3 5.052 4.805 -2.254 1.00 41.11 H new ATOM 0 HG22 VAL A 3 4.589 3.194 -2.852 1.00 41.11 H new ATOM 0 HG23 VAL A 3 5.356 3.364 -1.255 1.00 41.11 H new ATOM 56 N TYR A 4 9.109 1.732 -4.271 1.00 33.45 N ATOM 57 CA TYR A 4 10.542 1.612 -4.511 1.00 31.03 C ATOM 58 C TYR A 4 11.018 2.667 -5.504 1.00 54.35 C ATOM 59 O TYR A 4 10.798 2.546 -6.710 1.00 13.13 O ATOM 60 CB TYR A 4 10.878 0.214 -5.034 1.00 13.51 C ATOM 61 CG TYR A 4 11.275 -0.760 -3.948 1.00 12.53 C ATOM 62 CD1 TYR A 4 10.431 -1.014 -2.873 1.00 43.51 C ATOM 63 CD2 TYR A 4 12.493 -1.425 -3.995 1.00 45.03 C ATOM 64 CE1 TYR A 4 10.790 -1.902 -1.878 1.00 30.11 C ATOM 65 CE2 TYR A 4 12.860 -2.316 -3.005 1.00 72.25 C ATOM 66 CZ TYR A 4 12.005 -2.551 -1.949 1.00 31.22 C ATOM 67 OH TYR A 4 12.367 -3.437 -0.960 1.00 72.21 O ATOM 0 H TYR A 4 8.529 1.580 -5.096 1.00 33.45 H new ATOM 0 HA TYR A 4 11.058 1.772 -3.564 1.00 31.03 H new ATOM 0 HB2 TYR A 4 10.014 -0.182 -5.568 1.00 13.51 H new ATOM 0 HB3 TYR A 4 11.691 0.291 -5.756 1.00 13.51 H new ATOM 0 HD1 TYR A 4 9.478 -0.508 -2.815 1.00 43.51 H new ATOM 0 HD2 TYR A 4 13.165 -1.242 -4.820 1.00 45.03 H new ATOM 0 HE1 TYR A 4 10.123 -2.087 -1.049 1.00 30.11 H new ATOM 0 HE2 TYR A 4 13.811 -2.825 -3.058 1.00 72.25 H new ATOM 0 HH TYR A 4 13.251 -3.808 -1.161 1.00 72.21 H new ATOM 77 N VAL A 5 11.672 3.703 -4.989 1.00 43.34 N ATOM 78 CA VAL A 5 12.182 4.780 -5.830 1.00 12.20 C ATOM 79 C VAL A 5 13.703 4.858 -5.762 1.00 72.41 C ATOM 80 O VAL A 5 14.266 5.366 -4.794 1.00 44.31 O ATOM 81 CB VAL A 5 11.590 6.141 -5.418 1.00 5.41 C ATOM 82 CG1 VAL A 5 10.147 6.260 -5.883 1.00 63.24 C ATOM 83 CG2 VAL A 5 11.691 6.331 -3.912 1.00 11.50 C ATOM 0 H VAL A 5 11.861 3.820 -3.994 1.00 43.34 H new ATOM 0 HA VAL A 5 11.879 4.554 -6.852 1.00 12.20 H new ATOM 0 HB VAL A 5 12.167 6.929 -5.901 1.00 5.41 H new ATOM 0 HG11 VAL A 5 9.747 7.228 -5.582 1.00 63.24 H new ATOM 0 HG12 VAL A 5 10.106 6.172 -6.969 1.00 63.24 H new ATOM 0 HG13 VAL A 5 9.553 5.466 -5.432 1.00 63.24 H new ATOM 0 HG21 VAL A 5 11.268 7.298 -3.638 1.00 11.50 H new ATOM 0 HG22 VAL A 5 11.140 5.538 -3.407 1.00 11.50 H new ATOM 0 HG23 VAL A 5 12.738 6.294 -3.610 1.00 11.50 H new ATOM 93 N GLY A 6 14.363 4.349 -6.798 1.00 52.14 N ATOM 94 CA GLY A 6 15.813 4.371 -6.837 1.00 63.21 C ATOM 95 C GLY A 6 16.350 5.071 -8.070 1.00 21.22 C ATOM 96 O GLY A 6 15.697 5.954 -8.624 1.00 2.13 O ATOM 0 H GLY A 6 13.919 3.922 -7.611 1.00 52.14 H new ATOM 0 HA2 GLY A 6 16.190 4.872 -5.945 1.00 63.21 H new ATOM 0 HA3 GLY A 6 16.190 3.348 -6.811 1.00 63.21 H new ATOM 100 N ASN A 7 17.544 4.676 -8.499 1.00 44.54 N ATOM 101 CA ASN A 7 18.170 5.274 -9.674 1.00 11.15 C ATOM 102 C ASN A 7 18.436 6.760 -9.451 1.00 74.03 C ATOM 103 O ASN A 7 17.974 7.606 -10.218 1.00 41.14 O ATOM 104 CB ASN A 7 17.281 5.082 -10.904 1.00 62.01 C ATOM 105 CG ASN A 7 17.299 3.654 -11.413 1.00 64.50 C ATOM 106 OD1 ASN A 7 17.626 3.400 -12.573 1.00 12.23 O ATOM 107 ND2 ASN A 7 16.948 2.712 -10.545 1.00 74.12 N ATOM 0 H ASN A 7 18.098 3.945 -8.052 1.00 44.54 H new ATOM 0 HA ASN A 7 19.124 4.774 -9.842 1.00 11.15 H new ATOM 0 HB2 ASN A 7 16.258 5.364 -10.657 1.00 62.01 H new ATOM 0 HB3 ASN A 7 17.613 5.752 -11.697 1.00 62.01 H new ATOM 0 HD21 ASN A 7 16.942 1.733 -10.830 1.00 74.12 H new ATOM 0 HD22 ASN A 7 16.684 2.968 -9.594 1.00 74.12 H new ATOM 114 N LEU A 8 19.183 7.071 -8.398 1.00 34.54 N ATOM 115 CA LEU A 8 19.511 8.454 -8.074 1.00 2.52 C ATOM 116 C LEU A 8 20.967 8.761 -8.409 1.00 42.22 C ATOM 117 O LEU A 8 21.882 8.308 -7.722 1.00 52.14 O ATOM 118 CB LEU A 8 19.249 8.728 -6.592 1.00 14.40 C ATOM 119 CG LEU A 8 17.942 8.169 -6.027 1.00 42.42 C ATOM 120 CD1 LEU A 8 17.997 8.115 -4.508 1.00 63.14 C ATOM 121 CD2 LEU A 8 16.759 9.007 -6.490 1.00 43.41 C ATOM 0 H LEU A 8 19.573 6.383 -7.754 1.00 34.54 H new ATOM 0 HA LEU A 8 18.874 9.103 -8.675 1.00 2.52 H new ATOM 0 HB2 LEU A 8 20.077 8.316 -6.015 1.00 14.40 H new ATOM 0 HB3 LEU A 8 19.257 9.807 -6.435 1.00 14.40 H new ATOM 0 HG LEU A 8 17.811 7.154 -6.402 1.00 42.42 H new ATOM 0 HD11 LEU A 8 17.059 7.715 -4.124 1.00 63.14 H new ATOM 0 HD12 LEU A 8 18.820 7.472 -4.196 1.00 63.14 H new ATOM 0 HD13 LEU A 8 18.152 9.119 -4.114 1.00 63.14 H new ATOM 0 HD21 LEU A 8 15.838 8.595 -6.078 1.00 43.41 H new ATOM 0 HD22 LEU A 8 16.883 10.033 -6.145 1.00 43.41 H new ATOM 0 HD23 LEU A 8 16.708 8.994 -7.579 1.00 43.41 H new ATOM 161 N ALA A 12 18.962 14.297 -7.897 1.00 54.24 N ATOM 162 CA ALA A 12 17.618 13.919 -7.477 1.00 1.43 C ATOM 163 C ALA A 12 17.662 12.805 -6.436 1.00 54.51 C ATOM 164 O ALA A 12 17.920 11.648 -6.762 1.00 72.33 O ATOM 165 CB ALA A 12 16.790 13.490 -8.679 1.00 21.54 C ATOM 0 HA ALA A 12 17.148 14.790 -7.020 1.00 1.43 H new ATOM 0 HB1 ALA A 12 15.789 13.211 -8.350 1.00 21.54 H new ATOM 0 HB2 ALA A 12 16.722 14.316 -9.387 1.00 21.54 H new ATOM 0 HB3 ALA A 12 17.265 12.636 -9.162 1.00 21.54 H new ATOM 171 N GLY A 13 17.408 13.164 -5.181 1.00 73.11 N ATOM 172 CA GLY A 13 17.424 12.183 -4.112 1.00 31.22 C ATOM 173 C GLY A 13 16.161 12.218 -3.274 1.00 21.40 C ATOM 174 O GLY A 13 15.053 12.133 -3.803 1.00 72.25 O ATOM 0 H GLY A 13 17.192 14.116 -4.886 1.00 73.11 H new ATOM 0 HA2 GLY A 13 17.546 11.187 -4.539 1.00 31.22 H new ATOM 0 HA3 GLY A 13 18.287 12.363 -3.471 1.00 31.22 H new ATOM 178 N LYS A 14 16.327 12.341 -1.961 1.00 61.15 N ATOM 179 CA LYS A 14 15.192 12.386 -1.047 1.00 41.22 C ATOM 180 C LYS A 14 14.328 13.614 -1.313 1.00 53.44 C ATOM 181 O LYS A 14 13.108 13.512 -1.435 1.00 13.43 O ATOM 182 CB LYS A 14 15.680 12.397 0.403 1.00 14.14 C ATOM 183 CG LYS A 14 14.575 12.654 1.414 1.00 4.52 C ATOM 184 CD LYS A 14 14.869 11.982 2.745 1.00 64.35 C ATOM 185 CE LYS A 14 15.923 12.743 3.533 1.00 4.44 C ATOM 186 NZ LYS A 14 15.556 12.870 4.971 1.00 4.00 N ATOM 0 H LYS A 14 17.237 12.411 -1.506 1.00 61.15 H new ATOM 0 HA LYS A 14 14.587 11.495 -1.214 1.00 41.22 H new ATOM 0 HB2 LYS A 14 16.150 11.439 0.627 1.00 14.14 H new ATOM 0 HB3 LYS A 14 16.448 13.163 0.514 1.00 14.14 H new ATOM 0 HG2 LYS A 14 14.461 13.728 1.565 1.00 4.52 H new ATOM 0 HG3 LYS A 14 13.628 12.285 1.021 1.00 4.52 H new ATOM 0 HD2 LYS A 14 13.952 11.916 3.331 1.00 64.35 H new ATOM 0 HD3 LYS A 14 15.210 10.961 2.571 1.00 64.35 H new ATOM 0 HE2 LYS A 14 16.881 12.231 3.447 1.00 4.44 H new ATOM 0 HE3 LYS A 14 16.052 13.736 3.102 1.00 4.44 H new ATOM 0 HZ1 LYS A 14 16.300 13.395 5.474 1.00 4.00 H new ATOM 0 HZ2 LYS A 14 14.654 13.381 5.055 1.00 4.00 H new ATOM 0 HZ3 LYS A 14 15.458 11.923 5.389 1.00 4.00 H new ATOM 200 N GLY A 15 14.969 14.776 -1.404 1.00 60.35 N ATOM 201 CA GLY A 15 14.243 16.006 -1.657 1.00 53.42 C ATOM 202 C GLY A 15 13.490 15.976 -2.973 1.00 24.12 C ATOM 203 O GLY A 15 12.343 16.414 -3.049 1.00 3.42 O ATOM 0 H GLY A 15 15.978 14.887 -1.307 1.00 60.35 H new ATOM 0 HA2 GLY A 15 13.539 16.183 -0.843 1.00 53.42 H new ATOM 0 HA3 GLY A 15 14.942 16.842 -1.661 1.00 53.42 H new ATOM 207 N GLU A 16 14.139 15.458 -4.012 1.00 14.24 N ATOM 208 CA GLU A 16 13.523 15.375 -5.331 1.00 1.31 C ATOM 209 C GLU A 16 12.311 14.448 -5.309 1.00 3.13 C ATOM 210 O GLU A 16 11.199 14.853 -5.650 1.00 62.13 O ATOM 211 CB GLU A 16 14.539 14.880 -6.362 1.00 24.30 C ATOM 212 CG GLU A 16 14.595 15.731 -7.619 1.00 63.03 C ATOM 213 CD GLU A 16 15.710 16.758 -7.580 1.00 24.25 C ATOM 214 OE1 GLU A 16 16.292 16.961 -6.494 1.00 1.05 O ATOM 215 OE2 GLU A 16 16.001 17.358 -8.636 1.00 22.05 O ATOM 0 H GLU A 16 15.089 15.090 -3.966 1.00 14.24 H new ATOM 0 HA GLU A 16 13.189 16.374 -5.611 1.00 1.31 H new ATOM 0 HB2 GLU A 16 15.528 14.858 -5.904 1.00 24.30 H new ATOM 0 HB3 GLU A 16 14.293 13.855 -6.638 1.00 24.30 H new ATOM 0 HG2 GLU A 16 14.732 15.084 -8.485 1.00 63.03 H new ATOM 0 HG3 GLU A 16 13.641 16.241 -7.750 1.00 63.03 H new ATOM 222 N LEU A 17 12.534 13.202 -4.905 1.00 45.32 N ATOM 223 CA LEU A 17 11.462 12.216 -4.838 1.00 72.14 C ATOM 224 C LEU A 17 10.363 12.670 -3.883 1.00 10.21 C ATOM 225 O LEU A 17 9.192 12.343 -4.069 1.00 54.13 O ATOM 226 CB LEU A 17 12.015 10.862 -4.391 1.00 34.31 C ATOM 227 CG LEU A 17 12.087 10.632 -2.881 1.00 4.11 C ATOM 228 CD1 LEU A 17 10.785 10.037 -2.368 1.00 42.01 C ATOM 229 CD2 LEU A 17 13.262 9.728 -2.535 1.00 13.32 C ATOM 0 H LEU A 17 13.448 12.851 -4.619 1.00 45.32 H new ATOM 0 HA LEU A 17 11.032 12.115 -5.835 1.00 72.14 H new ATOM 0 HB2 LEU A 17 11.398 10.077 -4.829 1.00 34.31 H new ATOM 0 HB3 LEU A 17 13.017 10.747 -4.804 1.00 34.31 H new ATOM 0 HG LEU A 17 12.239 11.595 -2.393 1.00 4.11 H new ATOM 0 HD11 LEU A 17 10.856 9.881 -1.292 1.00 42.01 H new ATOM 0 HD12 LEU A 17 9.963 10.720 -2.582 1.00 42.01 H new ATOM 0 HD13 LEU A 17 10.601 9.083 -2.862 1.00 42.01 H new ATOM 0 HD21 LEU A 17 13.298 9.575 -1.456 1.00 13.32 H new ATOM 0 HD22 LEU A 17 13.141 8.767 -3.034 1.00 13.32 H new ATOM 0 HD23 LEU A 17 14.190 10.194 -2.867 1.00 13.32 H new ATOM 241 N GLU A 18 10.750 13.428 -2.861 1.00 61.52 N ATOM 242 CA GLU A 18 9.797 13.928 -1.878 1.00 33.33 C ATOM 243 C GLU A 18 8.864 14.963 -2.501 1.00 65.41 C ATOM 244 O GLU A 18 7.647 14.897 -2.333 1.00 54.45 O ATOM 245 CB GLU A 18 10.534 14.542 -0.686 1.00 62.20 C ATOM 246 CG GLU A 18 9.616 15.235 0.307 1.00 60.42 C ATOM 247 CD GLU A 18 10.370 15.835 1.478 1.00 74.03 C ATOM 248 OE1 GLU A 18 11.272 15.157 2.012 1.00 34.55 O ATOM 249 OE2 GLU A 18 10.058 16.982 1.859 1.00 12.23 O ATOM 0 H GLU A 18 11.716 13.709 -2.693 1.00 61.52 H new ATOM 0 HA GLU A 18 9.198 13.086 -1.531 1.00 33.33 H new ATOM 0 HB2 GLU A 18 11.088 13.758 -0.170 1.00 62.20 H new ATOM 0 HB3 GLU A 18 11.266 15.261 -1.054 1.00 62.20 H new ATOM 0 HG2 GLU A 18 9.061 16.022 -0.205 1.00 60.42 H new ATOM 0 HG3 GLU A 18 8.883 14.519 0.680 1.00 60.42 H new ATOM 256 N ARG A 19 9.446 15.917 -3.220 1.00 50.12 N ATOM 257 CA ARG A 19 8.669 16.967 -3.867 1.00 54.12 C ATOM 258 C ARG A 19 7.715 16.378 -4.902 1.00 73.12 C ATOM 259 O ARG A 19 6.546 16.758 -4.971 1.00 43.04 O ATOM 260 CB ARG A 19 9.599 17.982 -4.535 1.00 15.15 C ATOM 261 CG ARG A 19 8.972 19.355 -4.715 1.00 4.33 C ATOM 262 CD ARG A 19 9.730 20.419 -3.936 1.00 13.42 C ATOM 263 NE ARG A 19 9.595 20.241 -2.493 1.00 12.24 N ATOM 264 CZ ARG A 19 9.945 21.163 -1.602 1.00 63.34 C ATOM 265 NH1 ARG A 19 10.449 22.321 -2.006 1.00 12.14 N ATOM 266 NH2 ARG A 19 9.792 20.927 -0.306 1.00 20.53 N ATOM 0 H ARG A 19 10.453 15.984 -3.369 1.00 50.12 H new ATOM 0 HA ARG A 19 8.081 17.473 -3.101 1.00 54.12 H new ATOM 0 HB2 ARG A 19 10.505 18.081 -3.937 1.00 15.15 H new ATOM 0 HB3 ARG A 19 9.901 17.599 -5.510 1.00 15.15 H new ATOM 0 HG2 ARG A 19 8.961 19.616 -5.773 1.00 4.33 H new ATOM 0 HG3 ARG A 19 7.934 19.329 -4.383 1.00 4.33 H new ATOM 0 HD2 ARG A 19 10.785 20.385 -4.208 1.00 13.42 H new ATOM 0 HD3 ARG A 19 9.360 21.405 -4.216 1.00 13.42 H new ATOM 0 HE ARG A 19 9.211 19.361 -2.150 1.00 12.24 H new ATOM 0 HH11 ARG A 19 10.569 22.505 -3.002 1.00 12.14 H new ATOM 0 HH12 ARG A 19 10.717 23.027 -1.321 1.00 12.14 H new ATOM 0 HH21 ARG A 19 9.405 20.037 0.008 1.00 20.53 H new ATOM 0 HH22 ARG A 19 10.061 21.636 0.377 1.00 20.53 H new ATOM 280 N ALA A 20 8.222 15.448 -5.705 1.00 52.11 N ATOM 281 CA ALA A 20 7.415 14.806 -6.735 1.00 61.41 C ATOM 282 C ALA A 20 6.266 14.015 -6.119 1.00 11.12 C ATOM 283 O ALA A 20 5.096 14.282 -6.397 1.00 25.52 O ATOM 284 CB ALA A 20 8.282 13.897 -7.594 1.00 40.34 C ATOM 0 H ALA A 20 9.188 15.123 -5.662 1.00 52.11 H new ATOM 0 HA ALA A 20 6.988 15.586 -7.366 1.00 61.41 H new ATOM 0 HB1 ALA A 20 7.667 13.424 -8.359 1.00 40.34 H new ATOM 0 HB2 ALA A 20 9.065 14.486 -8.071 1.00 40.34 H new ATOM 0 HB3 ALA A 20 8.736 13.129 -6.968 1.00 40.34 H new ATOM 290 N PHE A 21 6.606 13.041 -5.281 1.00 41.12 N ATOM 291 CA PHE A 21 5.602 12.210 -4.627 1.00 3.24 C ATOM 292 C PHE A 21 4.525 13.071 -3.974 1.00 11.50 C ATOM 293 O PHE A 21 3.331 12.858 -4.187 1.00 4.43 O ATOM 294 CB PHE A 21 6.259 11.312 -3.576 1.00 51.12 C ATOM 295 CG PHE A 21 6.629 9.953 -4.097 1.00 30.33 C ATOM 296 CD1 PHE A 21 7.097 9.796 -5.391 1.00 61.32 C ATOM 297 CD2 PHE A 21 6.508 8.832 -3.291 1.00 62.44 C ATOM 298 CE1 PHE A 21 7.439 8.546 -5.873 1.00 51.12 C ATOM 299 CE2 PHE A 21 6.849 7.580 -3.768 1.00 32.33 C ATOM 300 CZ PHE A 21 7.314 7.437 -5.060 1.00 75.45 C ATOM 0 H PHE A 21 7.569 12.808 -5.039 1.00 41.12 H new ATOM 0 HA PHE A 21 5.132 11.585 -5.387 1.00 3.24 H new ATOM 0 HB2 PHE A 21 7.155 11.804 -3.198 1.00 51.12 H new ATOM 0 HB3 PHE A 21 5.579 11.196 -2.732 1.00 51.12 H new ATOM 0 HD1 PHE A 21 7.196 10.660 -6.031 1.00 61.32 H new ATOM 0 HD2 PHE A 21 6.144 8.938 -2.280 1.00 62.44 H new ATOM 0 HE1 PHE A 21 7.803 8.437 -6.884 1.00 51.12 H new ATOM 0 HE2 PHE A 21 6.752 6.714 -3.130 1.00 32.33 H new ATOM 0 HZ PHE A 21 7.580 6.459 -5.434 1.00 75.45 H new ATOM 310 N SER A 22 4.956 14.045 -3.178 1.00 33.22 N ATOM 311 CA SER A 22 4.029 14.936 -2.490 1.00 10.10 C ATOM 312 C SER A 22 3.149 15.681 -3.489 1.00 40.12 C ATOM 313 O SER A 22 1.938 15.800 -3.299 1.00 63.14 O ATOM 314 CB SER A 22 4.798 15.937 -1.625 1.00 32.30 C ATOM 315 OG SER A 22 4.022 17.096 -1.374 1.00 32.52 O ATOM 0 H SER A 22 5.941 14.237 -2.994 1.00 33.22 H new ATOM 0 HA SER A 22 3.388 14.330 -1.850 1.00 10.10 H new ATOM 0 HB2 SER A 22 5.074 15.469 -0.680 1.00 32.30 H new ATOM 0 HB3 SER A 22 5.725 16.217 -2.125 1.00 32.30 H new ATOM 0 HG SER A 22 4.535 17.719 -0.818 1.00 32.52 H new ATOM 321 N TYR A 23 3.767 16.181 -4.554 1.00 14.25 N ATOM 322 CA TYR A 23 3.041 16.917 -5.582 1.00 45.23 C ATOM 323 C TYR A 23 1.896 16.081 -6.145 1.00 43.04 C ATOM 324 O TYR A 23 0.803 16.591 -6.391 1.00 71.25 O ATOM 325 CB TYR A 23 3.990 17.328 -6.710 1.00 22.23 C ATOM 326 CG TYR A 23 4.386 18.787 -6.667 1.00 74.42 C ATOM 327 CD1 TYR A 23 3.422 19.787 -6.634 1.00 45.35 C ATOM 328 CD2 TYR A 23 5.723 19.164 -6.659 1.00 31.01 C ATOM 329 CE1 TYR A 23 3.779 21.121 -6.596 1.00 44.24 C ATOM 330 CE2 TYR A 23 6.089 20.495 -6.619 1.00 41.54 C ATOM 331 CZ TYR A 23 5.114 21.470 -6.589 1.00 12.32 C ATOM 332 OH TYR A 23 5.473 22.798 -6.549 1.00 64.14 O ATOM 0 H TYR A 23 4.768 16.090 -4.727 1.00 14.25 H new ATOM 0 HA TYR A 23 2.621 17.813 -5.124 1.00 45.23 H new ATOM 0 HB2 TYR A 23 4.889 16.714 -6.658 1.00 22.23 H new ATOM 0 HB3 TYR A 23 3.515 17.117 -7.668 1.00 22.23 H new ATOM 0 HD1 TYR A 23 2.376 19.517 -6.638 1.00 45.35 H new ATOM 0 HD2 TYR A 23 6.489 18.403 -6.684 1.00 31.01 H new ATOM 0 HE1 TYR A 23 3.017 21.886 -6.572 1.00 44.24 H new ATOM 0 HE2 TYR A 23 7.133 20.771 -6.611 1.00 41.54 H new ATOM 0 HH TYR A 23 6.450 22.873 -6.548 1.00 64.14 H new ATOM 342 N TYR A 24 2.156 14.794 -6.346 1.00 73.12 N ATOM 343 CA TYR A 24 1.149 13.886 -6.882 1.00 34.32 C ATOM 344 C TYR A 24 0.096 13.556 -5.827 1.00 42.54 C ATOM 345 O TYR A 24 -1.081 13.387 -6.141 1.00 13.01 O ATOM 346 CB TYR A 24 1.806 12.598 -7.381 1.00 45.32 C ATOM 347 CG TYR A 24 2.346 12.701 -8.790 1.00 74.11 C ATOM 348 CD1 TYR A 24 3.390 13.565 -9.094 1.00 2.43 C ATOM 349 CD2 TYR A 24 1.810 11.934 -9.818 1.00 0.44 C ATOM 350 CE1 TYR A 24 3.886 13.663 -10.380 1.00 13.14 C ATOM 351 CE2 TYR A 24 2.300 12.024 -11.106 1.00 41.50 C ATOM 352 CZ TYR A 24 3.338 12.890 -11.382 1.00 53.31 C ATOM 353 OH TYR A 24 3.828 12.984 -12.665 1.00 32.05 O ATOM 0 H TYR A 24 3.055 14.356 -6.146 1.00 73.12 H new ATOM 0 HA TYR A 24 0.658 14.383 -7.718 1.00 34.32 H new ATOM 0 HB2 TYR A 24 2.620 12.331 -6.707 1.00 45.32 H new ATOM 0 HB3 TYR A 24 1.078 11.788 -7.338 1.00 45.32 H new ATOM 0 HD1 TYR A 24 3.822 14.171 -8.311 1.00 2.43 H new ATOM 0 HD2 TYR A 24 0.996 11.256 -9.606 1.00 0.44 H new ATOM 0 HE1 TYR A 24 4.698 14.341 -10.599 1.00 13.14 H new ATOM 0 HE2 TYR A 24 1.873 11.420 -11.893 1.00 41.50 H new ATOM 0 HH TYR A 24 4.779 13.221 -12.636 1.00 32.05 H new ATOM 363 N GLY A 25 0.531 13.468 -4.574 1.00 11.01 N ATOM 364 CA GLY A 25 -0.385 13.160 -3.491 1.00 41.11 C ATOM 365 C GLY A 25 0.326 12.981 -2.164 1.00 55.21 C ATOM 366 O GLY A 25 1.521 12.692 -2.110 1.00 2.43 O ATOM 0 H GLY A 25 1.501 13.604 -4.289 1.00 11.01 H new ATOM 0 HA2 GLY A 25 -1.119 13.961 -3.401 1.00 41.11 H new ATOM 0 HA3 GLY A 25 -0.934 12.250 -3.731 1.00 41.11 H new ATOM 370 N PRO A 26 -0.418 13.156 -1.062 1.00 14.11 N ATOM 371 CA PRO A 26 0.127 13.018 0.292 1.00 43.23 C ATOM 372 C PRO A 26 0.470 11.572 0.634 1.00 43.41 C ATOM 373 O PRO A 26 -0.418 10.737 0.805 1.00 32.43 O ATOM 374 CB PRO A 26 -1.008 13.524 1.185 1.00 1.41 C ATOM 375 CG PRO A 26 -2.246 13.306 0.385 1.00 24.34 C ATOM 376 CD PRO A 26 -1.850 13.501 -1.052 1.00 41.50 C ATOM 0 HA PRO A 26 1.060 13.568 0.414 1.00 43.23 H new ATOM 0 HB2 PRO A 26 -1.044 12.977 2.127 1.00 1.41 H new ATOM 0 HB3 PRO A 26 -0.877 14.577 1.433 1.00 1.41 H new ATOM 0 HG2 PRO A 26 -2.644 12.305 0.548 1.00 24.34 H new ATOM 0 HG3 PRO A 26 -3.026 14.010 0.674 1.00 24.34 H new ATOM 0 HD2 PRO A 26 -2.423 12.856 -1.718 1.00 41.50 H new ATOM 0 HD3 PRO A 26 -2.018 14.527 -1.379 1.00 41.50 H new ATOM 384 N LEU A 27 1.763 11.283 0.733 1.00 41.55 N ATOM 385 CA LEU A 27 2.224 9.937 1.055 1.00 11.53 C ATOM 386 C LEU A 27 2.271 9.725 2.565 1.00 10.41 C ATOM 387 O LEU A 27 1.921 10.617 3.338 1.00 3.43 O ATOM 388 CB LEU A 27 3.608 9.692 0.451 1.00 55.11 C ATOM 389 CG LEU A 27 4.734 10.587 0.969 1.00 63.24 C ATOM 390 CD1 LEU A 27 5.529 9.872 2.051 1.00 54.40 C ATOM 391 CD2 LEU A 27 5.647 11.010 -0.173 1.00 54.24 C ATOM 0 H LEU A 27 2.511 11.963 0.595 1.00 41.55 H new ATOM 0 HA LEU A 27 1.517 9.226 0.628 1.00 11.53 H new ATOM 0 HB2 LEU A 27 3.883 8.653 0.634 1.00 55.11 H new ATOM 0 HB3 LEU A 27 3.538 9.818 -0.629 1.00 55.11 H new ATOM 0 HG LEU A 27 4.290 11.482 1.404 1.00 63.24 H new ATOM 0 HD11 LEU A 27 6.326 10.524 2.408 1.00 54.40 H new ATOM 0 HD12 LEU A 27 4.869 9.619 2.880 1.00 54.40 H new ATOM 0 HD13 LEU A 27 5.963 8.960 1.641 1.00 54.40 H new ATOM 0 HD21 LEU A 27 6.443 11.647 0.214 1.00 54.24 H new ATOM 0 HD22 LEU A 27 6.083 10.125 -0.637 1.00 54.24 H new ATOM 0 HD23 LEU A 27 5.070 11.561 -0.915 1.00 54.24 H new ATOM 403 N ARG A 28 2.707 8.540 2.978 1.00 64.14 N ATOM 404 CA ARG A 28 2.801 8.211 4.395 1.00 45.22 C ATOM 405 C ARG A 28 4.161 8.616 4.958 1.00 53.12 C ATOM 406 O ARG A 28 4.249 9.458 5.852 1.00 42.41 O ATOM 407 CB ARG A 28 2.574 6.714 4.609 1.00 24.50 C ATOM 408 CG ARG A 28 2.459 6.318 6.072 1.00 12.21 C ATOM 409 CD ARG A 28 3.497 5.273 6.451 1.00 50.45 C ATOM 410 NE ARG A 28 4.033 5.495 7.791 1.00 43.13 N ATOM 411 CZ ARG A 28 3.334 5.303 8.903 1.00 34.33 C ATOM 412 NH1 ARG A 28 2.077 4.887 8.836 1.00 35.43 N ATOM 413 NH2 ARG A 28 3.892 5.526 10.086 1.00 15.14 N ATOM 0 H ARG A 28 3.001 7.791 2.351 1.00 64.14 H new ATOM 0 HA ARG A 28 2.027 8.768 4.924 1.00 45.22 H new ATOM 0 HB2 ARG A 28 1.664 6.415 4.088 1.00 24.50 H new ATOM 0 HB3 ARG A 28 3.397 6.162 4.156 1.00 24.50 H new ATOM 0 HG2 ARG A 28 2.584 7.200 6.700 1.00 12.21 H new ATOM 0 HG3 ARG A 28 1.460 5.927 6.267 1.00 12.21 H new ATOM 0 HD2 ARG A 28 3.048 4.281 6.400 1.00 50.45 H new ATOM 0 HD3 ARG A 28 4.312 5.292 5.727 1.00 50.45 H new ATOM 0 HE ARG A 28 4.998 5.815 7.877 1.00 43.13 H new ATOM 0 HH11 ARG A 28 1.645 4.714 7.928 1.00 35.43 H new ATOM 0 HH12 ARG A 28 1.542 4.740 9.692 1.00 35.43 H new ATOM 0 HH21 ARG A 28 4.859 5.845 10.142 1.00 15.14 H new ATOM 0 HH22 ARG A 28 3.354 5.378 10.940 1.00 15.14 H new ATOM 427 N THR A 29 5.219 8.010 4.429 1.00 41.03 N ATOM 428 CA THR A 29 6.573 8.306 4.879 1.00 64.41 C ATOM 429 C THR A 29 7.597 7.973 3.799 1.00 34.52 C ATOM 430 O THR A 29 7.502 6.939 3.138 1.00 70.43 O ATOM 431 CB THR A 29 6.923 7.524 6.160 1.00 53.43 C ATOM 432 OG1 THR A 29 6.398 6.194 6.081 1.00 51.42 O ATOM 433 CG2 THR A 29 6.363 8.224 7.389 1.00 23.35 C ATOM 0 H THR A 29 5.164 7.311 3.688 1.00 41.03 H new ATOM 0 HA THR A 29 6.608 9.374 5.093 1.00 64.41 H new ATOM 0 HB THR A 29 8.009 7.480 6.249 1.00 53.43 H new ATOM 0 HG1 THR A 29 6.757 5.656 6.817 1.00 51.42 H new ATOM 0 HG21 THR A 29 6.622 7.655 8.282 1.00 23.35 H new ATOM 0 HG22 THR A 29 6.787 9.226 7.462 1.00 23.35 H new ATOM 0 HG23 THR A 29 5.278 8.294 7.305 1.00 23.35 H new ATOM 441 N VAL A 30 8.576 8.855 3.626 1.00 72.31 N ATOM 442 CA VAL A 30 9.619 8.653 2.627 1.00 14.11 C ATOM 443 C VAL A 30 10.952 8.318 3.285 1.00 4.30 C ATOM 444 O VAL A 30 11.184 8.652 4.447 1.00 34.32 O ATOM 445 CB VAL A 30 9.795 9.900 1.740 1.00 32.01 C ATOM 446 CG1 VAL A 30 8.663 10.001 0.729 1.00 32.32 C ATOM 447 CG2 VAL A 30 9.870 11.156 2.596 1.00 71.53 C ATOM 0 H VAL A 30 8.669 9.716 4.165 1.00 72.31 H new ATOM 0 HA VAL A 30 9.304 7.815 2.005 1.00 14.11 H new ATOM 0 HB VAL A 30 10.732 9.805 1.191 1.00 32.01 H new ATOM 0 HG11 VAL A 30 8.805 10.888 0.112 1.00 32.32 H new ATOM 0 HG12 VAL A 30 8.661 9.114 0.095 1.00 32.32 H new ATOM 0 HG13 VAL A 30 7.711 10.073 1.255 1.00 32.32 H new ATOM 0 HG21 VAL A 30 9.994 12.027 1.953 1.00 71.53 H new ATOM 0 HG22 VAL A 30 8.951 11.259 3.173 1.00 71.53 H new ATOM 0 HG23 VAL A 30 10.719 11.083 3.276 1.00 71.53 H new ATOM 457 N TRP A 31 11.827 7.658 2.534 1.00 15.03 N ATOM 458 CA TRP A 31 13.139 7.278 3.045 1.00 51.11 C ATOM 459 C TRP A 31 14.122 7.047 1.902 1.00 15.12 C ATOM 460 O TRP A 31 13.718 6.782 0.769 1.00 5.51 O ATOM 461 CB TRP A 31 13.030 6.017 3.903 1.00 75.42 C ATOM 462 CG TRP A 31 14.174 5.845 4.855 1.00 61.40 C ATOM 463 CD1 TRP A 31 14.385 6.532 6.016 1.00 13.11 C ATOM 464 CD2 TRP A 31 15.266 4.927 4.726 1.00 52.30 C ATOM 465 NE1 TRP A 31 15.542 6.097 6.617 1.00 55.33 N ATOM 466 CE2 TRP A 31 16.100 5.113 5.846 1.00 62.44 C ATOM 467 CE3 TRP A 31 15.618 3.966 3.775 1.00 5.00 C ATOM 468 CZ2 TRP A 31 17.264 4.373 6.037 1.00 61.32 C ATOM 469 CZ3 TRP A 31 16.774 3.233 3.966 1.00 21.31 C ATOM 470 CH2 TRP A 31 17.585 3.439 5.090 1.00 63.51 C ATOM 0 H TRP A 31 11.652 7.375 1.570 1.00 15.03 H new ATOM 0 HA TRP A 31 13.512 8.096 3.661 1.00 51.11 H new ATOM 0 HB2 TRP A 31 12.098 6.050 4.468 1.00 75.42 H new ATOM 0 HB3 TRP A 31 12.976 5.146 3.250 1.00 75.42 H new ATOM 0 HD1 TRP A 31 13.738 7.304 6.405 1.00 13.11 H new ATOM 0 HE1 TRP A 31 15.923 6.450 7.495 1.00 55.33 H new ATOM 0 HE3 TRP A 31 14.998 3.799 2.907 1.00 5.00 H new ATOM 0 HZ2 TRP A 31 17.891 4.531 6.902 1.00 61.32 H new ATOM 0 HZ3 TRP A 31 17.057 2.489 3.236 1.00 21.31 H new ATOM 0 HH2 TRP A 31 18.481 2.849 5.211 1.00 63.51 H new ATOM 481 N ILE A 32 15.411 7.148 2.207 1.00 51.43 N ATOM 482 CA ILE A 32 16.450 6.949 1.204 1.00 21.13 C ATOM 483 C ILE A 32 17.496 5.950 1.688 1.00 74.43 C ATOM 484 O ILE A 32 17.752 5.834 2.886 1.00 55.42 O ATOM 485 CB ILE A 32 17.149 8.274 0.847 1.00 62.33 C ATOM 486 CG1 ILE A 32 17.006 8.564 -0.649 1.00 21.22 C ATOM 487 CG2 ILE A 32 18.617 8.222 1.244 1.00 70.03 C ATOM 488 CD1 ILE A 32 17.756 9.798 -1.099 1.00 71.24 C ATOM 0 H ILE A 32 15.761 7.366 3.140 1.00 51.43 H new ATOM 0 HA ILE A 32 15.959 6.556 0.314 1.00 21.13 H new ATOM 0 HB ILE A 32 16.671 9.081 1.402 1.00 62.33 H new ATOM 0 HG12 ILE A 32 17.366 7.704 -1.214 1.00 21.22 H new ATOM 0 HG13 ILE A 32 15.949 8.683 -0.888 1.00 21.22 H new ATOM 0 HG21 ILE A 32 19.098 9.166 0.985 1.00 70.03 H new ATOM 0 HG22 ILE A 32 18.698 8.056 2.318 1.00 70.03 H new ATOM 0 HG23 ILE A 32 19.109 7.407 0.713 1.00 70.03 H new ATOM 0 HD11 ILE A 32 17.610 9.942 -2.169 1.00 71.24 H new ATOM 0 HD12 ILE A 32 17.380 10.668 -0.561 1.00 71.24 H new ATOM 0 HD13 ILE A 32 18.819 9.674 -0.891 1.00 71.24 H new ATOM 500 N ALA A 33 18.098 5.230 0.747 1.00 41.14 N ATOM 501 CA ALA A 33 19.119 4.243 1.076 1.00 50.20 C ATOM 502 C ALA A 33 20.507 4.735 0.679 1.00 54.33 C ATOM 503 O ALA A 33 20.857 4.748 -0.502 1.00 14.05 O ATOM 504 CB ALA A 33 18.812 2.918 0.394 1.00 14.22 C ATOM 0 H ALA A 33 17.896 5.312 -0.249 1.00 41.14 H new ATOM 0 HA ALA A 33 19.110 4.094 2.156 1.00 50.20 H new ATOM 0 HB1 ALA A 33 19.583 2.191 0.649 1.00 14.22 H new ATOM 0 HB2 ALA A 33 17.842 2.552 0.730 1.00 14.22 H new ATOM 0 HB3 ALA A 33 18.791 3.061 -0.686 1.00 14.22 H new ATOM 510 N ARG A 34 21.292 5.140 1.671 1.00 3.31 N ATOM 511 CA ARG A 34 22.641 5.635 1.424 1.00 2.33 C ATOM 512 C ARG A 34 23.588 4.488 1.085 1.00 31.43 C ATOM 513 O ARG A 34 24.602 4.683 0.417 1.00 52.32 O ATOM 514 CB ARG A 34 23.160 6.395 2.647 1.00 63.34 C ATOM 515 CG ARG A 34 24.173 7.476 2.307 1.00 52.21 C ATOM 516 CD ARG A 34 24.668 8.188 3.556 1.00 24.53 C ATOM 517 NE ARG A 34 25.545 9.310 3.235 1.00 5.33 N ATOM 518 CZ ARG A 34 25.103 10.500 2.845 1.00 11.53 C ATOM 519 NH1 ARG A 34 23.801 10.722 2.729 1.00 32.30 N ATOM 520 NH2 ARG A 34 25.963 11.473 2.571 1.00 25.52 N ATOM 0 H ARG A 34 21.018 5.135 2.653 1.00 3.31 H new ATOM 0 HA ARG A 34 22.601 6.314 0.572 1.00 2.33 H new ATOM 0 HB2 ARG A 34 22.317 6.850 3.167 1.00 63.34 H new ATOM 0 HB3 ARG A 34 23.616 5.686 3.338 1.00 63.34 H new ATOM 0 HG2 ARG A 34 25.018 7.032 1.781 1.00 52.21 H new ATOM 0 HG3 ARG A 34 23.721 8.200 1.629 1.00 52.21 H new ATOM 0 HD2 ARG A 34 23.814 8.548 4.130 1.00 24.53 H new ATOM 0 HD3 ARG A 34 25.202 7.480 4.189 1.00 24.53 H new ATOM 0 HE ARG A 34 26.553 9.172 3.315 1.00 5.33 H new ATOM 0 HH11 ARG A 34 23.136 9.978 2.940 1.00 32.30 H new ATOM 0 HH12 ARG A 34 23.464 11.637 2.429 1.00 32.30 H new ATOM 0 HH21 ARG A 34 26.966 11.308 2.660 1.00 25.52 H new ATOM 0 HH22 ARG A 34 25.621 12.386 2.272 1.00 25.52 H new ATOM 534 N ASN A 35 23.249 3.290 1.552 1.00 10.21 N ATOM 535 CA ASN A 35 24.069 2.111 1.299 1.00 2.14 C ATOM 536 C ASN A 35 24.396 1.984 -0.185 1.00 43.04 C ATOM 537 O ASN A 35 25.557 2.017 -0.596 1.00 34.51 O ATOM 538 CB ASN A 35 23.350 0.851 1.784 1.00 24.44 C ATOM 539 CG ASN A 35 24.004 0.249 3.013 1.00 24.41 C ATOM 540 OD1 ASN A 35 25.225 0.299 3.168 1.00 73.10 O ATOM 541 ND2 ASN A 35 23.193 -0.325 3.894 1.00 61.42 N ATOM 0 H ASN A 35 22.412 3.111 2.107 1.00 10.21 H new ATOM 0 HA ASN A 35 25.003 2.223 1.850 1.00 2.14 H new ATOM 0 HB2 ASN A 35 22.311 1.093 2.010 1.00 24.44 H new ATOM 0 HB3 ASN A 35 23.338 0.112 0.983 1.00 24.44 H new ATOM 0 HD21 ASN A 35 23.576 -0.747 4.740 1.00 61.42 H new ATOM 0 HD22 ASN A 35 22.187 -0.343 3.725 1.00 61.42 H new ATOM 548 N PRO A 36 23.350 1.836 -1.011 1.00 52.32 N ATOM 549 CA PRO A 36 23.500 1.703 -2.463 1.00 70.43 C ATOM 550 C PRO A 36 23.960 2.999 -3.120 1.00 45.33 C ATOM 551 O PRO A 36 23.966 4.066 -2.506 1.00 44.53 O ATOM 552 CB PRO A 36 22.090 1.336 -2.933 1.00 41.35 C ATOM 553 CG PRO A 36 21.186 1.892 -1.888 1.00 52.43 C ATOM 554 CD PRO A 36 21.939 1.789 -0.591 1.00 42.01 C ATOM 0 HA PRO A 36 24.258 0.966 -2.728 1.00 70.43 H new ATOM 0 HB2 PRO A 36 21.875 1.765 -3.912 1.00 41.35 H new ATOM 0 HB3 PRO A 36 21.972 0.256 -3.025 1.00 41.35 H new ATOM 0 HG2 PRO A 36 20.927 2.928 -2.107 1.00 52.43 H new ATOM 0 HG3 PRO A 36 20.252 1.332 -1.842 1.00 52.43 H new ATOM 0 HD2 PRO A 36 21.693 2.610 0.083 1.00 42.01 H new ATOM 0 HD3 PRO A 36 21.707 0.863 -0.064 1.00 42.01 H new ATOM 562 N PRO A 37 24.356 2.908 -4.399 1.00 14.12 N ATOM 563 CA PRO A 37 24.824 4.065 -5.167 1.00 42.31 C ATOM 564 C PRO A 37 23.700 5.046 -5.482 1.00 74.32 C ATOM 565 O PRO A 37 23.946 6.215 -5.774 1.00 41.11 O ATOM 566 CB PRO A 37 25.365 3.440 -6.455 1.00 43.23 C ATOM 567 CG PRO A 37 24.624 2.156 -6.594 1.00 34.43 C ATOM 568 CD PRO A 37 24.375 1.668 -5.193 1.00 52.21 C ATOM 0 HA PRO A 37 25.563 4.648 -4.616 1.00 42.31 H new ATOM 0 HB2 PRO A 37 25.194 4.090 -7.313 1.00 43.23 H new ATOM 0 HB3 PRO A 37 26.440 3.272 -6.392 1.00 43.23 H new ATOM 0 HG2 PRO A 37 23.686 2.303 -7.129 1.00 34.43 H new ATOM 0 HG3 PRO A 37 25.205 1.430 -7.163 1.00 34.43 H new ATOM 0 HD2 PRO A 37 23.431 1.128 -5.117 1.00 52.21 H new ATOM 0 HD3 PRO A 37 25.159 0.989 -4.859 1.00 52.21 H new ATOM 576 N GLY A 38 22.463 4.561 -5.421 1.00 20.23 N ATOM 577 CA GLY A 38 21.319 5.408 -5.702 1.00 0.43 C ATOM 578 C GLY A 38 20.006 4.657 -5.615 1.00 75.12 C ATOM 579 O GLY A 38 19.441 4.260 -6.635 1.00 14.13 O ATOM 0 H GLY A 38 22.233 3.596 -5.182 1.00 20.23 H new ATOM 0 HA2 GLY A 38 21.305 6.240 -4.998 1.00 0.43 H new ATOM 0 HA3 GLY A 38 21.424 5.836 -6.699 1.00 0.43 H new ATOM 583 N PHE A 39 19.518 4.459 -4.395 1.00 22.21 N ATOM 584 CA PHE A 39 18.264 3.747 -4.179 1.00 11.13 C ATOM 585 C PHE A 39 17.520 4.311 -2.972 1.00 31.45 C ATOM 586 O PHE A 39 18.108 4.527 -1.912 1.00 53.24 O ATOM 587 CB PHE A 39 18.529 2.254 -3.977 1.00 75.44 C ATOM 588 CG PHE A 39 17.705 1.373 -4.873 1.00 31.22 C ATOM 589 CD1 PHE A 39 17.838 1.445 -6.250 1.00 71.11 C ATOM 590 CD2 PHE A 39 16.798 0.472 -4.337 1.00 42.33 C ATOM 591 CE1 PHE A 39 17.081 0.636 -7.076 1.00 53.13 C ATOM 592 CE2 PHE A 39 16.038 -0.339 -5.159 1.00 25.45 C ATOM 593 CZ PHE A 39 16.181 -0.258 -6.530 1.00 32.02 C ATOM 0 H PHE A 39 19.972 4.782 -3.541 1.00 22.21 H new ATOM 0 HA PHE A 39 17.641 3.882 -5.063 1.00 11.13 H new ATOM 0 HB2 PHE A 39 19.585 2.053 -4.155 1.00 75.44 H new ATOM 0 HB3 PHE A 39 18.326 1.994 -2.938 1.00 75.44 H new ATOM 0 HD1 PHE A 39 18.541 2.141 -6.683 1.00 71.11 H new ATOM 0 HD2 PHE A 39 16.684 0.403 -3.265 1.00 42.33 H new ATOM 0 HE1 PHE A 39 17.193 0.703 -8.148 1.00 53.13 H new ATOM 0 HE2 PHE A 39 15.333 -1.035 -4.729 1.00 25.45 H new ATOM 0 HZ PHE A 39 15.590 -0.892 -7.174 1.00 32.02 H new ATOM 603 N ALA A 40 16.223 4.546 -3.140 1.00 52.05 N ATOM 604 CA ALA A 40 15.398 5.083 -2.066 1.00 35.34 C ATOM 605 C ALA A 40 14.075 4.331 -1.961 1.00 52.15 C ATOM 606 O ALA A 40 13.624 3.712 -2.925 1.00 73.32 O ATOM 607 CB ALA A 40 15.147 6.568 -2.283 1.00 63.44 C ATOM 0 H ALA A 40 15.721 4.373 -4.011 1.00 52.05 H new ATOM 0 HA ALA A 40 15.937 4.951 -1.128 1.00 35.34 H new ATOM 0 HB1 ALA A 40 14.529 6.955 -1.473 1.00 63.44 H new ATOM 0 HB2 ALA A 40 16.099 7.099 -2.299 1.00 63.44 H new ATOM 0 HB3 ALA A 40 14.633 6.715 -3.233 1.00 63.44 H new ATOM 613 N PHE A 41 13.458 4.389 -0.786 1.00 74.10 N ATOM 614 CA PHE A 41 12.187 3.712 -0.556 1.00 32.14 C ATOM 615 C PHE A 41 11.151 4.678 0.012 1.00 71.11 C ATOM 616 O PHE A 41 11.483 5.583 0.778 1.00 63.14 O ATOM 617 CB PHE A 41 12.379 2.533 0.400 1.00 32.24 C ATOM 618 CG PHE A 41 11.091 1.875 0.807 1.00 62.44 C ATOM 619 CD1 PHE A 41 10.369 2.346 1.891 1.00 55.34 C ATOM 620 CD2 PHE A 41 10.604 0.784 0.105 1.00 71.22 C ATOM 621 CE1 PHE A 41 9.183 1.743 2.267 1.00 41.31 C ATOM 622 CE2 PHE A 41 9.419 0.177 0.476 1.00 20.02 C ATOM 623 CZ PHE A 41 8.708 0.656 1.559 1.00 4.42 C ATOM 0 H PHE A 41 13.817 4.898 0.022 1.00 74.10 H new ATOM 0 HA PHE A 41 11.824 3.339 -1.514 1.00 32.14 H new ATOM 0 HB2 PHE A 41 13.022 1.792 -0.074 1.00 32.24 H new ATOM 0 HB3 PHE A 41 12.898 2.881 1.293 1.00 32.24 H new ATOM 0 HD1 PHE A 41 10.737 3.194 2.449 1.00 55.34 H new ATOM 0 HD2 PHE A 41 11.157 0.404 -0.741 1.00 71.22 H new ATOM 0 HE1 PHE A 41 8.629 2.121 3.113 1.00 41.31 H new ATOM 0 HE2 PHE A 41 9.049 -0.671 -0.081 1.00 20.02 H new ATOM 0 HZ PHE A 41 7.783 0.182 1.852 1.00 4.42 H new ATOM 633 N VAL A 42 9.893 4.479 -0.370 1.00 3.02 N ATOM 634 CA VAL A 42 8.808 5.331 0.101 1.00 53.25 C ATOM 635 C VAL A 42 7.572 4.507 0.446 1.00 44.22 C ATOM 636 O VAL A 42 7.344 3.444 -0.129 1.00 72.51 O ATOM 637 CB VAL A 42 8.428 6.389 -0.953 1.00 31.13 C ATOM 638 CG1 VAL A 42 7.310 7.281 -0.435 1.00 3.35 C ATOM 639 CG2 VAL A 42 9.645 7.215 -1.340 1.00 51.32 C ATOM 0 H VAL A 42 9.601 3.735 -1.004 1.00 3.02 H new ATOM 0 HA VAL A 42 9.167 5.835 0.998 1.00 53.25 H new ATOM 0 HB VAL A 42 8.067 5.876 -1.845 1.00 31.13 H new ATOM 0 HG11 VAL A 42 7.055 8.022 -1.193 1.00 3.35 H new ATOM 0 HG12 VAL A 42 6.433 6.673 -0.212 1.00 3.35 H new ATOM 0 HG13 VAL A 42 7.640 7.788 0.472 1.00 3.35 H new ATOM 0 HG21 VAL A 42 9.359 7.957 -2.085 1.00 51.32 H new ATOM 0 HG22 VAL A 42 10.038 7.720 -0.457 1.00 51.32 H new ATOM 0 HG23 VAL A 42 10.412 6.561 -1.755 1.00 51.32 H new ATOM 649 N GLU A 43 6.779 5.007 1.388 1.00 32.31 N ATOM 650 CA GLU A 43 5.566 4.316 1.810 1.00 61.41 C ATOM 651 C GLU A 43 4.334 5.184 1.571 1.00 60.41 C ATOM 652 O GLU A 43 4.254 6.314 2.052 1.00 22.15 O ATOM 653 CB GLU A 43 5.657 3.936 3.290 1.00 41.45 C ATOM 654 CG GLU A 43 6.016 2.479 3.523 1.00 21.43 C ATOM 655 CD GLU A 43 4.796 1.582 3.598 1.00 34.13 C ATOM 656 OE1 GLU A 43 3.806 1.981 4.248 1.00 41.03 O ATOM 657 OE2 GLU A 43 4.830 0.482 3.009 1.00 74.14 O ATOM 0 H GLU A 43 6.954 5.887 1.873 1.00 32.31 H new ATOM 0 HA GLU A 43 5.470 3.408 1.215 1.00 61.41 H new ATOM 0 HB2 GLU A 43 6.403 4.567 3.773 1.00 41.45 H new ATOM 0 HB3 GLU A 43 4.702 4.147 3.770 1.00 41.45 H new ATOM 0 HG2 GLU A 43 6.666 2.136 2.718 1.00 21.43 H new ATOM 0 HG3 GLU A 43 6.583 2.392 4.450 1.00 21.43 H new ATOM 664 N PHE A 44 3.375 4.647 0.823 1.00 25.12 N ATOM 665 CA PHE A 44 2.148 5.372 0.518 1.00 14.01 C ATOM 666 C PHE A 44 0.985 4.851 1.359 1.00 44.33 C ATOM 667 O PHE A 44 0.626 3.677 1.279 1.00 53.44 O ATOM 668 CB PHE A 44 1.812 5.246 -0.969 1.00 43.55 C ATOM 669 CG PHE A 44 2.076 6.501 -1.751 1.00 42.44 C ATOM 670 CD1 PHE A 44 1.446 7.689 -1.415 1.00 31.42 C ATOM 671 CD2 PHE A 44 2.955 6.494 -2.823 1.00 11.24 C ATOM 672 CE1 PHE A 44 1.686 8.844 -2.133 1.00 45.52 C ATOM 673 CE2 PHE A 44 3.200 7.647 -3.545 1.00 12.24 C ATOM 674 CZ PHE A 44 2.565 8.824 -3.199 1.00 4.14 C ATOM 0 H PHE A 44 3.425 3.712 0.417 1.00 25.12 H new ATOM 0 HA PHE A 44 2.307 6.423 0.760 1.00 14.01 H new ATOM 0 HB2 PHE A 44 2.395 4.431 -1.397 1.00 43.55 H new ATOM 0 HB3 PHE A 44 0.761 4.976 -1.074 1.00 43.55 H new ATOM 0 HD1 PHE A 44 0.759 7.712 -0.582 1.00 31.42 H new ATOM 0 HD2 PHE A 44 3.454 5.577 -3.097 1.00 11.24 H new ATOM 0 HE1 PHE A 44 1.187 9.762 -1.861 1.00 45.52 H new ATOM 0 HE2 PHE A 44 3.887 7.628 -4.378 1.00 12.24 H new ATOM 0 HZ PHE A 44 2.755 9.727 -3.761 1.00 4.14 H new ATOM 684 N GLU A 45 0.403 5.734 2.164 1.00 4.25 N ATOM 685 CA GLU A 45 -0.717 5.363 3.021 1.00 40.21 C ATOM 686 C GLU A 45 -1.861 4.779 2.197 1.00 13.33 C ATOM 687 O GLU A 45 -2.626 3.945 2.682 1.00 52.13 O ATOM 688 CB GLU A 45 -1.210 6.579 3.809 1.00 63.22 C ATOM 689 CG GLU A 45 -2.073 7.525 2.991 1.00 3.13 C ATOM 690 CD GLU A 45 -1.332 8.114 1.807 1.00 43.51 C ATOM 691 OE1 GLU A 45 -0.131 8.426 1.955 1.00 53.45 O ATOM 692 OE2 GLU A 45 -1.951 8.264 0.733 1.00 13.03 O ATOM 0 H GLU A 45 0.688 6.710 2.241 1.00 4.25 H new ATOM 0 HA GLU A 45 -0.370 4.602 3.721 1.00 40.21 H new ATOM 0 HB2 GLU A 45 -1.780 6.235 4.672 1.00 63.22 H new ATOM 0 HB3 GLU A 45 -0.349 7.126 4.193 1.00 63.22 H new ATOM 0 HG2 GLU A 45 -2.954 6.991 2.634 1.00 3.13 H new ATOM 0 HG3 GLU A 45 -2.428 8.333 3.631 1.00 3.13 H new ATOM 699 N ASP A 46 -1.972 5.224 0.951 1.00 41.35 N ATOM 700 CA ASP A 46 -3.022 4.746 0.058 1.00 1.44 C ATOM 701 C ASP A 46 -2.431 4.234 -1.251 1.00 42.23 C ATOM 702 O ASP A 46 -1.410 4.725 -1.734 1.00 52.32 O ATOM 703 CB ASP A 46 -4.028 5.863 -0.224 1.00 11.11 C ATOM 704 CG ASP A 46 -5.248 5.783 0.672 1.00 12.44 C ATOM 705 OD1 ASP A 46 -5.863 4.699 0.742 1.00 24.33 O ATOM 706 OD2 ASP A 46 -5.589 6.806 1.303 1.00 32.03 O ATOM 0 H ASP A 46 -1.348 5.915 0.535 1.00 41.35 H new ATOM 0 HA ASP A 46 -3.536 3.920 0.550 1.00 1.44 H new ATOM 0 HB2 ASP A 46 -3.542 6.829 -0.086 1.00 11.11 H new ATOM 0 HB3 ASP A 46 -4.342 5.810 -1.266 1.00 11.11 H new ATOM 711 N PRO A 47 -3.085 3.222 -1.841 1.00 11.54 N ATOM 712 CA PRO A 47 -2.642 2.621 -3.102 1.00 10.20 C ATOM 713 C PRO A 47 -2.827 3.561 -4.289 1.00 4.05 C ATOM 714 O PRO A 47 -1.936 3.699 -5.128 1.00 33.44 O ATOM 715 CB PRO A 47 -3.545 1.394 -3.246 1.00 74.14 C ATOM 716 CG PRO A 47 -4.770 1.731 -2.467 1.00 64.23 C ATOM 717 CD PRO A 47 -4.308 2.588 -1.321 1.00 72.02 C ATOM 0 HA PRO A 47 -1.578 2.385 -3.090 1.00 10.20 H new ATOM 0 HB2 PRO A 47 -3.782 1.198 -4.292 1.00 74.14 H new ATOM 0 HB3 PRO A 47 -3.061 0.499 -2.855 1.00 74.14 H new ATOM 0 HG2 PRO A 47 -5.492 2.263 -3.086 1.00 64.23 H new ATOM 0 HG3 PRO A 47 -5.263 0.829 -2.106 1.00 64.23 H new ATOM 0 HD2 PRO A 47 -5.059 3.329 -1.045 1.00 72.02 H new ATOM 0 HD3 PRO A 47 -4.105 1.993 -0.431 1.00 72.02 H new ATOM 725 N ARG A 48 -3.987 4.206 -4.352 1.00 21.12 N ATOM 726 CA ARG A 48 -4.288 5.132 -5.437 1.00 1.45 C ATOM 727 C ARG A 48 -3.149 6.129 -5.632 1.00 20.01 C ATOM 728 O ARG A 48 -2.733 6.398 -6.759 1.00 10.30 O ATOM 729 CB ARG A 48 -5.591 5.881 -5.150 1.00 20.42 C ATOM 730 CG ARG A 48 -5.618 6.558 -3.789 1.00 60.52 C ATOM 731 CD ARG A 48 -7.032 6.947 -3.389 1.00 33.14 C ATOM 732 NE ARG A 48 -7.066 7.642 -2.105 1.00 2.32 N ATOM 733 CZ ARG A 48 -8.181 8.099 -1.545 1.00 45.55 C ATOM 734 NH1 ARG A 48 -9.347 7.935 -2.154 1.00 10.12 N ATOM 735 NH2 ARG A 48 -8.130 8.722 -0.375 1.00 2.12 N ATOM 0 H ARG A 48 -4.734 4.104 -3.665 1.00 21.12 H new ATOM 0 HA ARG A 48 -4.403 4.553 -6.354 1.00 1.45 H new ATOM 0 HB2 ARG A 48 -5.746 6.633 -5.924 1.00 20.42 H new ATOM 0 HB3 ARG A 48 -6.424 5.181 -5.215 1.00 20.42 H new ATOM 0 HG2 ARG A 48 -5.198 5.887 -3.039 1.00 60.52 H new ATOM 0 HG3 ARG A 48 -4.987 7.447 -3.811 1.00 60.52 H new ATOM 0 HD2 ARG A 48 -7.464 7.587 -4.159 1.00 33.14 H new ATOM 0 HD3 ARG A 48 -7.652 6.052 -3.333 1.00 33.14 H new ATOM 0 HE ARG A 48 -6.185 7.784 -1.611 1.00 2.32 H new ATOM 0 HH11 ARG A 48 -9.389 7.457 -3.054 1.00 10.12 H new ATOM 0 HH12 ARG A 48 -10.202 8.287 -1.722 1.00 10.12 H new ATOM 0 HH21 ARG A 48 -7.234 8.851 0.096 1.00 2.12 H new ATOM 0 HH22 ARG A 48 -8.987 9.072 0.054 1.00 2.12 H new ATOM 749 N ASP A 49 -2.650 6.673 -4.528 1.00 10.14 N ATOM 750 CA ASP A 49 -1.559 7.639 -4.577 1.00 10.51 C ATOM 751 C ASP A 49 -0.283 6.992 -5.106 1.00 51.12 C ATOM 752 O ASP A 49 0.501 7.627 -5.811 1.00 12.44 O ATOM 753 CB ASP A 49 -1.308 8.229 -3.188 1.00 53.11 C ATOM 754 CG ASP A 49 -2.581 8.731 -2.534 1.00 24.32 C ATOM 755 OD1 ASP A 49 -3.445 7.894 -2.200 1.00 54.23 O ATOM 756 OD2 ASP A 49 -2.712 9.960 -2.356 1.00 41.11 O ATOM 0 H ASP A 49 -2.984 6.461 -3.588 1.00 10.14 H new ATOM 0 HA ASP A 49 -1.848 8.441 -5.257 1.00 10.51 H new ATOM 0 HB2 ASP A 49 -0.850 7.471 -2.552 1.00 53.11 H new ATOM 0 HB3 ASP A 49 -0.596 9.050 -3.268 1.00 53.11 H new ATOM 761 N ALA A 50 -0.082 5.725 -4.761 1.00 24.32 N ATOM 762 CA ALA A 50 1.098 4.991 -5.202 1.00 3.22 C ATOM 763 C ALA A 50 1.019 4.667 -6.690 1.00 1.32 C ATOM 764 O ALA A 50 2.012 4.770 -7.410 1.00 33.53 O ATOM 765 CB ALA A 50 1.260 3.715 -4.390 1.00 22.32 C ATOM 0 H ALA A 50 -0.721 5.185 -4.177 1.00 24.32 H new ATOM 0 HA ALA A 50 1.970 5.624 -5.041 1.00 3.22 H new ATOM 0 HB1 ALA A 50 2.145 3.177 -4.730 1.00 22.32 H new ATOM 0 HB2 ALA A 50 1.371 3.967 -3.335 1.00 22.32 H new ATOM 0 HB3 ALA A 50 0.380 3.086 -4.522 1.00 22.32 H new ATOM 771 N GLU A 51 -0.168 4.276 -7.143 1.00 63.13 N ATOM 772 CA GLU A 51 -0.374 3.936 -8.546 1.00 74.31 C ATOM 773 C GLU A 51 -0.187 5.161 -9.436 1.00 71.13 C ATOM 774 O GLU A 51 0.497 5.100 -10.458 1.00 41.21 O ATOM 775 CB GLU A 51 -1.774 3.352 -8.751 1.00 63.44 C ATOM 776 CG GLU A 51 -1.832 2.272 -9.819 1.00 21.22 C ATOM 777 CD GLU A 51 -2.729 1.113 -9.428 1.00 44.11 C ATOM 778 OE1 GLU A 51 -3.947 1.334 -9.265 1.00 24.44 O ATOM 779 OE2 GLU A 51 -2.211 -0.015 -9.286 1.00 53.22 O ATOM 0 H GLU A 51 -1.000 4.187 -6.560 1.00 63.13 H new ATOM 0 HA GLU A 51 0.369 3.189 -8.825 1.00 74.31 H new ATOM 0 HB2 GLU A 51 -2.127 2.937 -7.807 1.00 63.44 H new ATOM 0 HB3 GLU A 51 -2.458 4.156 -9.022 1.00 63.44 H new ATOM 0 HG2 GLU A 51 -2.192 2.707 -10.751 1.00 21.22 H new ATOM 0 HG3 GLU A 51 -0.825 1.900 -10.009 1.00 21.22 H new ATOM 786 N ASP A 52 -0.800 6.271 -9.041 1.00 52.12 N ATOM 787 CA ASP A 52 -0.701 7.511 -9.802 1.00 14.30 C ATOM 788 C ASP A 52 0.717 8.070 -9.749 1.00 21.03 C ATOM 789 O ASP A 52 1.308 8.389 -10.780 1.00 0.32 O ATOM 790 CB ASP A 52 -1.691 8.546 -9.263 1.00 22.42 C ATOM 791 CG ASP A 52 -1.992 9.638 -10.270 1.00 14.14 C ATOM 792 OD1 ASP A 52 -2.532 9.317 -11.349 1.00 14.33 O ATOM 793 OD2 ASP A 52 -1.688 10.814 -9.979 1.00 4.01 O ATOM 0 H ASP A 52 -1.371 6.338 -8.198 1.00 52.12 H new ATOM 0 HA ASP A 52 -0.947 7.291 -10.841 1.00 14.30 H new ATOM 0 HB2 ASP A 52 -2.619 8.046 -8.985 1.00 22.42 H new ATOM 0 HB3 ASP A 52 -1.286 8.994 -8.356 1.00 22.42 H new ATOM 798 N ALA A 53 1.257 8.186 -8.540 1.00 12.12 N ATOM 799 CA ALA A 53 2.606 8.705 -8.352 1.00 51.32 C ATOM 800 C ALA A 53 3.623 7.891 -9.145 1.00 33.24 C ATOM 801 O ALA A 53 4.496 8.447 -9.810 1.00 5.44 O ATOM 802 CB ALA A 53 2.968 8.712 -6.874 1.00 61.35 C ATOM 0 H ALA A 53 0.781 7.927 -7.676 1.00 12.12 H new ATOM 0 HA ALA A 53 2.630 9.729 -8.725 1.00 51.32 H new ATOM 0 HB1 ALA A 53 3.978 9.102 -6.749 1.00 61.35 H new ATOM 0 HB2 ALA A 53 2.265 9.343 -6.330 1.00 61.35 H new ATOM 0 HB3 ALA A 53 2.920 7.696 -6.483 1.00 61.35 H new ATOM 808 N VAL A 54 3.504 6.569 -9.069 1.00 34.02 N ATOM 809 CA VAL A 54 4.412 5.677 -9.780 1.00 4.55 C ATOM 810 C VAL A 54 4.307 5.873 -11.288 1.00 11.53 C ATOM 811 O VAL A 54 5.299 6.161 -11.958 1.00 21.35 O ATOM 812 CB VAL A 54 4.128 4.202 -9.444 1.00 32.55 C ATOM 813 CG1 VAL A 54 4.716 3.288 -10.508 1.00 53.34 C ATOM 814 CG2 VAL A 54 4.677 3.853 -8.068 1.00 50.23 C ATOM 0 H VAL A 54 2.787 6.092 -8.522 1.00 34.02 H new ATOM 0 HA VAL A 54 5.421 5.928 -9.454 1.00 4.55 H new ATOM 0 HB VAL A 54 3.048 4.054 -9.428 1.00 32.55 H new ATOM 0 HG11 VAL A 54 4.505 2.250 -10.253 1.00 53.34 H new ATOM 0 HG12 VAL A 54 4.271 3.522 -11.475 1.00 53.34 H new ATOM 0 HG13 VAL A 54 5.795 3.437 -10.560 1.00 53.34 H new ATOM 0 HG21 VAL A 54 4.467 2.806 -7.847 1.00 50.23 H new ATOM 0 HG22 VAL A 54 5.754 4.018 -8.054 1.00 50.23 H new ATOM 0 HG23 VAL A 54 4.203 4.484 -7.316 1.00 50.23 H new ATOM 824 N ARG A 55 3.098 5.717 -11.816 1.00 75.31 N ATOM 825 CA ARG A 55 2.862 5.876 -13.246 1.00 60.30 C ATOM 826 C ARG A 55 3.456 7.187 -13.752 1.00 54.22 C ATOM 827 O ARG A 55 4.042 7.239 -14.833 1.00 31.15 O ATOM 828 CB ARG A 55 1.362 5.833 -13.545 1.00 44.24 C ATOM 829 CG ARG A 55 0.872 7.013 -14.368 1.00 12.41 C ATOM 830 CD ARG A 55 -0.582 6.840 -14.778 1.00 52.43 C ATOM 831 NE ARG A 55 -0.734 5.869 -15.858 1.00 33.21 N ATOM 832 CZ ARG A 55 -1.866 5.689 -16.531 1.00 24.35 C ATOM 833 NH1 ARG A 55 -2.938 6.411 -16.236 1.00 62.13 N ATOM 834 NH2 ARG A 55 -1.926 4.785 -17.500 1.00 63.21 N ATOM 0 H ARG A 55 2.266 5.481 -11.275 1.00 75.31 H new ATOM 0 HA ARG A 55 3.352 5.052 -13.764 1.00 60.30 H new ATOM 0 HB2 ARG A 55 1.132 4.910 -14.077 1.00 44.24 H new ATOM 0 HB3 ARG A 55 0.813 5.804 -12.604 1.00 44.24 H new ATOM 0 HG2 ARG A 55 0.982 7.931 -13.791 1.00 12.41 H new ATOM 0 HG3 ARG A 55 1.492 7.120 -15.258 1.00 12.41 H new ATOM 0 HD2 ARG A 55 -1.166 6.518 -13.916 1.00 52.43 H new ATOM 0 HD3 ARG A 55 -0.986 7.801 -15.095 1.00 52.43 H new ATOM 0 HE ARG A 55 0.073 5.298 -16.110 1.00 33.21 H new ATOM 0 HH11 ARG A 55 -2.895 7.107 -15.491 1.00 62.13 H new ATOM 0 HH12 ARG A 55 -3.806 6.271 -16.754 1.00 62.13 H new ATOM 0 HH21 ARG A 55 -1.103 4.227 -17.729 1.00 63.21 H new ATOM 0 HH22 ARG A 55 -2.795 4.647 -18.016 1.00 63.21 H new ATOM 848 N GLY A 56 3.298 8.246 -12.963 1.00 63.21 N ATOM 849 CA GLY A 56 3.823 9.543 -13.348 1.00 62.34 C ATOM 850 C GLY A 56 5.327 9.633 -13.179 1.00 51.22 C ATOM 851 O GLY A 56 6.058 9.826 -14.152 1.00 22.34 O ATOM 0 H GLY A 56 2.816 8.229 -12.064 1.00 63.21 H new ATOM 0 HA2 GLY A 56 3.565 9.742 -14.388 1.00 62.34 H new ATOM 0 HA3 GLY A 56 3.346 10.318 -12.747 1.00 62.34 H new ATOM 855 N LEU A 57 5.791 9.496 -11.942 1.00 74.20 N ATOM 856 CA LEU A 57 7.218 9.565 -11.648 1.00 32.32 C ATOM 857 C LEU A 57 8.011 8.655 -12.581 1.00 14.01 C ATOM 858 O LEU A 57 8.992 9.079 -13.192 1.00 11.14 O ATOM 859 CB LEU A 57 7.478 9.173 -10.192 1.00 61.23 C ATOM 860 CG LEU A 57 7.384 10.302 -9.166 1.00 44.40 C ATOM 861 CD1 LEU A 57 8.612 11.197 -9.244 1.00 13.25 C ATOM 862 CD2 LEU A 57 6.116 11.115 -9.381 1.00 74.41 C ATOM 0 H LEU A 57 5.200 9.336 -11.126 1.00 74.20 H new ATOM 0 HA LEU A 57 7.547 10.592 -11.806 1.00 32.32 H new ATOM 0 HB2 LEU A 57 6.766 8.396 -9.913 1.00 61.23 H new ATOM 0 HB3 LEU A 57 8.473 8.732 -10.127 1.00 61.23 H new ATOM 0 HG LEU A 57 7.343 9.860 -8.171 1.00 44.40 H new ATOM 0 HD11 LEU A 57 8.528 11.995 -8.507 1.00 13.25 H new ATOM 0 HD12 LEU A 57 9.506 10.607 -9.040 1.00 13.25 H new ATOM 0 HD13 LEU A 57 8.683 11.631 -10.241 1.00 13.25 H new ATOM 0 HD21 LEU A 57 6.066 11.914 -8.641 1.00 74.41 H new ATOM 0 HD22 LEU A 57 6.126 11.547 -10.382 1.00 74.41 H new ATOM 0 HD23 LEU A 57 5.246 10.467 -9.274 1.00 74.41 H new ATOM 874 N ASP A 58 7.577 7.404 -12.688 1.00 24.24 N ATOM 875 CA ASP A 58 8.245 6.435 -13.549 1.00 74.50 C ATOM 876 C ASP A 58 7.926 6.702 -15.017 1.00 33.13 C ATOM 877 O ASP A 58 8.766 6.499 -15.892 1.00 3.51 O ATOM 878 CB ASP A 58 7.825 5.013 -13.174 1.00 35.42 C ATOM 879 CG ASP A 58 8.638 3.958 -13.898 1.00 40.34 C ATOM 880 OD1 ASP A 58 9.780 4.263 -14.302 1.00 51.33 O ATOM 881 OD2 ASP A 58 8.133 2.828 -14.061 1.00 22.12 O ATOM 0 H ASP A 58 6.766 7.037 -12.190 1.00 24.24 H new ATOM 0 HA ASP A 58 9.320 6.538 -13.405 1.00 74.50 H new ATOM 0 HB2 ASP A 58 7.935 4.877 -12.098 1.00 35.42 H new ATOM 0 HB3 ASP A 58 6.769 4.876 -13.406 1.00 35.42 H new ATOM 886 N GLY A 59 6.704 7.157 -15.278 1.00 42.24 N ATOM 887 CA GLY A 59 6.295 7.443 -16.641 1.00 44.51 C ATOM 888 C GLY A 59 7.265 8.364 -17.356 1.00 71.51 C ATOM 889 O GLY A 59 7.735 8.053 -18.451 1.00 1.12 O ATOM 0 H GLY A 59 5.991 7.333 -14.570 1.00 42.24 H new ATOM 0 HA2 GLY A 59 6.210 6.508 -17.195 1.00 44.51 H new ATOM 0 HA3 GLY A 59 5.305 7.899 -16.632 1.00 44.51 H new ATOM 893 N LYS A 60 7.564 9.501 -16.738 1.00 25.35 N ATOM 894 CA LYS A 60 8.484 10.470 -17.321 1.00 11.41 C ATOM 895 C LYS A 60 9.506 10.940 -16.290 1.00 73.32 C ATOM 896 O LYS A 60 9.788 10.240 -15.318 1.00 31.44 O ATOM 897 CB LYS A 60 7.710 11.671 -17.871 1.00 23.21 C ATOM 898 CG LYS A 60 8.216 12.154 -19.219 1.00 54.12 C ATOM 899 CD LYS A 60 8.460 13.654 -19.218 1.00 64.31 C ATOM 900 CE LYS A 60 8.395 14.230 -20.624 1.00 44.21 C ATOM 901 NZ LYS A 60 8.707 15.686 -20.642 1.00 2.23 N ATOM 0 H LYS A 60 7.182 9.774 -15.833 1.00 25.35 H new ATOM 0 HA LYS A 60 9.016 9.982 -18.138 1.00 11.41 H new ATOM 0 HB2 LYS A 60 6.657 11.404 -17.962 1.00 23.21 H new ATOM 0 HB3 LYS A 60 7.770 12.490 -17.155 1.00 23.21 H new ATOM 0 HG2 LYS A 60 9.141 11.634 -19.469 1.00 54.12 H new ATOM 0 HG3 LYS A 60 7.490 11.903 -19.992 1.00 54.12 H new ATOM 0 HD2 LYS A 60 7.718 14.144 -18.588 1.00 64.31 H new ATOM 0 HD3 LYS A 60 9.437 13.865 -18.782 1.00 64.31 H new ATOM 0 HE2 LYS A 60 9.098 13.700 -21.266 1.00 44.21 H new ATOM 0 HE3 LYS A 60 7.400 14.067 -21.038 1.00 44.21 H new ATOM 0 HZ1 LYS A 60 8.652 16.041 -21.618 1.00 2.23 H new ATOM 0 HZ2 LYS A 60 8.021 16.195 -20.049 1.00 2.23 H new ATOM 0 HZ3 LYS A 60 9.666 15.840 -20.271 1.00 2.23 H new ATOM 915 N VAL A 61 10.056 12.130 -16.509 1.00 24.33 N ATOM 916 CA VAL A 61 11.045 12.694 -15.597 1.00 71.43 C ATOM 917 C VAL A 61 10.453 13.840 -14.785 1.00 34.30 C ATOM 918 O VAL A 61 9.422 14.405 -15.151 1.00 11.40 O ATOM 919 CB VAL A 61 12.283 13.204 -16.358 1.00 51.31 C ATOM 920 CG1 VAL A 61 12.866 12.103 -17.231 1.00 34.04 C ATOM 921 CG2 VAL A 61 11.928 14.426 -17.193 1.00 23.41 C ATOM 0 H VAL A 61 9.834 12.722 -17.309 1.00 24.33 H new ATOM 0 HA VAL A 61 11.347 11.893 -14.922 1.00 71.43 H new ATOM 0 HB VAL A 61 13.040 13.496 -15.630 1.00 51.31 H new ATOM 0 HG11 VAL A 61 13.740 12.483 -17.761 1.00 34.04 H new ATOM 0 HG12 VAL A 61 13.159 11.260 -16.606 1.00 34.04 H new ATOM 0 HG13 VAL A 61 12.118 11.777 -17.953 1.00 34.04 H new ATOM 0 HG21 VAL A 61 12.814 14.774 -17.724 1.00 23.41 H new ATOM 0 HG22 VAL A 61 11.153 14.162 -17.913 1.00 23.41 H new ATOM 0 HG23 VAL A 61 11.562 15.219 -16.541 1.00 23.41 H new ATOM 931 N ILE A 62 11.111 14.177 -13.681 1.00 40.44 N ATOM 932 CA ILE A 62 10.650 15.258 -12.818 1.00 23.51 C ATOM 933 C ILE A 62 11.731 16.319 -12.641 1.00 53.14 C ATOM 934 O ILE A 62 12.772 16.064 -12.036 1.00 5.42 O ATOM 935 CB ILE A 62 10.232 14.731 -11.432 1.00 43.22 C ATOM 936 CG1 ILE A 62 9.855 15.895 -10.513 1.00 74.32 C ATOM 937 CG2 ILE A 62 11.354 13.907 -10.818 1.00 70.23 C ATOM 938 CD1 ILE A 62 8.718 16.740 -11.045 1.00 3.14 C ATOM 0 H ILE A 62 11.964 13.718 -13.363 1.00 40.44 H new ATOM 0 HA ILE A 62 9.783 15.704 -13.305 1.00 23.51 H new ATOM 0 HB ILE A 62 9.359 14.089 -11.552 1.00 43.22 H new ATOM 0 HG12 ILE A 62 9.578 15.501 -9.535 1.00 74.32 H new ATOM 0 HG13 ILE A 62 10.730 16.528 -10.365 1.00 74.32 H new ATOM 0 HG21 ILE A 62 11.043 13.542 -9.839 1.00 70.23 H new ATOM 0 HG22 ILE A 62 11.580 13.060 -11.466 1.00 70.23 H new ATOM 0 HG23 ILE A 62 12.243 14.528 -10.708 1.00 70.23 H new ATOM 0 HD11 ILE A 62 8.504 17.546 -10.343 1.00 3.14 H new ATOM 0 HD12 ILE A 62 9.000 17.164 -12.009 1.00 3.14 H new ATOM 0 HD13 ILE A 62 7.830 16.120 -11.167 1.00 3.14 H new ATOM 950 N CYS A 63 11.475 17.510 -13.172 1.00 72.52 N ATOM 951 CA CYS A 63 12.425 18.611 -13.073 1.00 3.44 C ATOM 952 C CYS A 63 13.814 18.174 -13.528 1.00 11.45 C ATOM 953 O CYS A 63 14.818 18.507 -12.899 1.00 34.25 O ATOM 954 CB CYS A 63 12.486 19.131 -11.636 1.00 3.44 C ATOM 955 SG CYS A 63 12.734 20.918 -11.507 1.00 31.11 S ATOM 0 H CYS A 63 10.617 17.737 -13.675 1.00 72.52 H new ATOM 0 HA CYS A 63 12.084 19.413 -13.728 1.00 3.44 H new ATOM 0 HB2 CYS A 63 11.560 18.866 -11.125 1.00 3.44 H new ATOM 0 HB3 CYS A 63 13.296 18.624 -11.112 1.00 3.44 H new ATOM 0 HG CYS A 63 12.770 21.262 -10.254 1.00 31.11 H new ATOM 961 N GLY A 64 13.863 17.425 -14.625 1.00 1.21 N ATOM 962 CA GLY A 64 15.133 16.953 -15.144 1.00 43.04 C ATOM 963 C GLY A 64 15.703 15.808 -14.331 1.00 75.51 C ATOM 964 O GLY A 64 16.919 15.635 -14.257 1.00 30.44 O ATOM 0 H GLY A 64 13.046 17.137 -15.163 1.00 1.21 H new ATOM 0 HA2 GLY A 64 15.002 16.631 -16.177 1.00 43.04 H new ATOM 0 HA3 GLY A 64 15.846 17.777 -15.155 1.00 43.04 H new ATOM 968 N SER A 65 14.821 15.024 -13.718 1.00 62.42 N ATOM 969 CA SER A 65 15.243 13.892 -12.901 1.00 61.24 C ATOM 970 C SER A 65 14.537 12.612 -13.340 1.00 43.30 C ATOM 971 O SER A 65 13.411 12.339 -12.926 1.00 75.22 O ATOM 972 CB SER A 65 14.955 14.166 -11.424 1.00 54.12 C ATOM 973 OG SER A 65 15.529 15.394 -11.012 1.00 12.30 O ATOM 0 H SER A 65 13.810 15.152 -13.772 1.00 62.42 H new ATOM 0 HA SER A 65 16.316 13.759 -13.036 1.00 61.24 H new ATOM 0 HB2 SER A 65 13.878 14.191 -11.259 1.00 54.12 H new ATOM 0 HB3 SER A 65 15.352 13.353 -10.816 1.00 54.12 H new ATOM 0 HG SER A 65 14.891 16.122 -11.167 1.00 12.30 H new ATOM 979 N ARG A 66 15.209 11.832 -14.181 1.00 12.04 N ATOM 980 CA ARG A 66 14.647 10.582 -14.677 1.00 74.12 C ATOM 981 C ARG A 66 14.802 9.468 -13.646 1.00 5.12 C ATOM 982 O ARG A 66 15.394 8.426 -13.927 1.00 24.23 O ATOM 983 CB ARG A 66 15.326 10.177 -15.987 1.00 14.30 C ATOM 984 CG ARG A 66 16.833 10.020 -15.869 1.00 12.35 C ATOM 985 CD ARG A 66 17.348 8.902 -16.761 1.00 22.23 C ATOM 986 NE ARG A 66 17.050 7.582 -16.211 1.00 72.04 N ATOM 987 CZ ARG A 66 17.562 6.454 -16.690 1.00 62.21 C ATOM 988 NH1 ARG A 66 18.394 6.485 -17.722 1.00 4.02 N ATOM 989 NH2 ARG A 66 17.243 5.291 -16.136 1.00 52.12 N ATOM 0 H ARG A 66 16.143 12.044 -14.533 1.00 12.04 H new ATOM 0 HA ARG A 66 13.584 10.739 -14.860 1.00 74.12 H new ATOM 0 HB2 ARG A 66 14.897 9.236 -16.333 1.00 14.30 H new ATOM 0 HB3 ARG A 66 15.106 10.926 -16.747 1.00 14.30 H new ATOM 0 HG2 ARG A 66 17.320 10.957 -16.140 1.00 12.35 H new ATOM 0 HG3 ARG A 66 17.098 9.811 -14.833 1.00 12.35 H new ATOM 0 HD2 ARG A 66 16.900 8.992 -17.751 1.00 22.23 H new ATOM 0 HD3 ARG A 66 18.425 9.007 -16.888 1.00 22.23 H new ATOM 0 HE ARG A 66 16.414 7.523 -15.416 1.00 72.04 H new ATOM 0 HH11 ARG A 66 18.642 7.377 -18.150 1.00 4.02 H new ATOM 0 HH12 ARG A 66 18.786 5.617 -18.088 1.00 4.02 H new ATOM 0 HH21 ARG A 66 16.604 5.263 -15.341 1.00 52.12 H new ATOM 0 HH22 ARG A 66 17.637 4.425 -16.505 1.00 52.12 H new ATOM 1003 N VAL A 67 14.268 9.696 -12.450 1.00 53.45 N ATOM 1004 CA VAL A 67 14.347 8.713 -11.377 1.00 74.32 C ATOM 1005 C VAL A 67 13.566 7.451 -11.729 1.00 44.24 C ATOM 1006 O VAL A 67 12.708 7.466 -12.612 1.00 62.00 O ATOM 1007 CB VAL A 67 13.807 9.283 -10.052 1.00 43.41 C ATOM 1008 CG1 VAL A 67 12.287 9.330 -10.070 1.00 41.21 C ATOM 1009 CG2 VAL A 67 14.310 8.461 -8.875 1.00 13.32 C ATOM 0 H VAL A 67 13.776 10.554 -12.200 1.00 53.45 H new ATOM 0 HA VAL A 67 15.401 8.463 -11.254 1.00 74.32 H new ATOM 0 HB VAL A 67 14.176 10.302 -9.938 1.00 43.41 H new ATOM 0 HG11 VAL A 67 11.924 9.735 -9.125 1.00 41.21 H new ATOM 0 HG12 VAL A 67 11.952 9.965 -10.890 1.00 41.21 H new ATOM 0 HG13 VAL A 67 11.893 8.323 -10.207 1.00 41.21 H new ATOM 0 HG21 VAL A 67 13.919 8.878 -7.947 1.00 13.32 H new ATOM 0 HG22 VAL A 67 13.973 7.430 -8.981 1.00 13.32 H new ATOM 0 HG23 VAL A 67 15.400 8.486 -8.853 1.00 13.32 H new ATOM 1019 N ARG A 68 13.870 6.361 -11.033 1.00 60.43 N ATOM 1020 CA ARG A 68 13.198 5.089 -11.273 1.00 15.41 C ATOM 1021 C ARG A 68 12.255 4.748 -10.122 1.00 62.55 C ATOM 1022 O ARG A 68 12.684 4.595 -8.979 1.00 25.02 O ATOM 1023 CB ARG A 68 14.225 3.971 -11.454 1.00 61.32 C ATOM 1024 CG ARG A 68 13.607 2.628 -11.807 1.00 64.41 C ATOM 1025 CD ARG A 68 13.881 2.252 -13.255 1.00 23.41 C ATOM 1026 NE ARG A 68 13.012 1.172 -13.714 1.00 31.42 N ATOM 1027 CZ ARG A 68 13.201 0.508 -14.849 1.00 21.23 C ATOM 1028 NH1 ARG A 68 14.224 0.812 -15.636 1.00 31.43 N ATOM 1029 NH2 ARG A 68 12.366 -0.463 -15.198 1.00 44.22 N ATOM 0 H ARG A 68 14.577 6.333 -10.298 1.00 60.43 H new ATOM 0 HA ARG A 68 12.610 5.183 -12.186 1.00 15.41 H new ATOM 0 HB2 ARG A 68 14.926 4.256 -12.239 1.00 61.32 H new ATOM 0 HB3 ARG A 68 14.801 3.866 -10.535 1.00 61.32 H new ATOM 0 HG2 ARG A 68 14.007 1.858 -11.148 1.00 64.41 H new ATOM 0 HG3 ARG A 68 12.531 2.665 -11.637 1.00 64.41 H new ATOM 0 HD2 ARG A 68 13.738 3.127 -13.890 1.00 23.41 H new ATOM 0 HD3 ARG A 68 14.923 1.948 -13.360 1.00 23.41 H new ATOM 0 HE ARG A 68 12.216 0.913 -13.131 1.00 31.42 H new ATOM 0 HH11 ARG A 68 14.868 1.557 -15.370 1.00 31.43 H new ATOM 0 HH12 ARG A 68 14.367 0.301 -16.507 1.00 31.43 H new ATOM 0 HH21 ARG A 68 11.578 -0.700 -14.595 1.00 44.22 H new ATOM 0 HH22 ARG A 68 12.512 -0.972 -16.070 1.00 44.22 H new ATOM 1043 N VAL A 69 10.968 4.629 -10.434 1.00 3.04 N ATOM 1044 CA VAL A 69 9.965 4.305 -9.427 1.00 20.34 C ATOM 1045 C VAL A 69 9.240 3.009 -9.771 1.00 32.31 C ATOM 1046 O VAL A 69 8.876 2.777 -10.923 1.00 41.34 O ATOM 1047 CB VAL A 69 8.930 5.436 -9.281 1.00 1.12 C ATOM 1048 CG1 VAL A 69 7.919 5.099 -8.196 1.00 21.44 C ATOM 1049 CG2 VAL A 69 9.624 6.757 -8.983 1.00 34.23 C ATOM 0 H VAL A 69 10.596 4.752 -11.376 1.00 3.04 H new ATOM 0 HA VAL A 69 10.494 4.183 -8.482 1.00 20.34 H new ATOM 0 HB VAL A 69 8.393 5.538 -10.224 1.00 1.12 H new ATOM 0 HG11 VAL A 69 7.196 5.910 -8.108 1.00 21.44 H new ATOM 0 HG12 VAL A 69 7.400 4.177 -8.456 1.00 21.44 H new ATOM 0 HG13 VAL A 69 8.436 4.968 -7.245 1.00 21.44 H new ATOM 0 HG21 VAL A 69 8.878 7.545 -8.883 1.00 34.23 H new ATOM 0 HG22 VAL A 69 10.187 6.670 -8.054 1.00 34.23 H new ATOM 0 HG23 VAL A 69 10.304 7.003 -9.798 1.00 34.23 H new ATOM 1059 N GLU A 70 9.033 2.167 -8.763 1.00 14.11 N ATOM 1060 CA GLU A 70 8.351 0.893 -8.960 1.00 15.41 C ATOM 1061 C GLU A 70 7.643 0.452 -7.682 1.00 23.41 C ATOM 1062 O GLU A 70 7.889 0.994 -6.604 1.00 15.23 O ATOM 1063 CB GLU A 70 9.346 -0.181 -9.402 1.00 44.32 C ATOM 1064 CG GLU A 70 8.696 -1.365 -10.096 1.00 74.42 C ATOM 1065 CD GLU A 70 9.667 -2.136 -10.969 1.00 22.34 C ATOM 1066 OE1 GLU A 70 10.437 -1.493 -11.712 1.00 54.04 O ATOM 1067 OE2 GLU A 70 9.658 -3.384 -10.907 1.00 12.31 O ATOM 0 H GLU A 70 9.328 2.344 -7.803 1.00 14.11 H new ATOM 0 HA GLU A 70 7.603 1.028 -9.741 1.00 15.41 H new ATOM 0 HB2 GLU A 70 10.076 0.268 -10.075 1.00 44.32 H new ATOM 0 HB3 GLU A 70 9.894 -0.538 -8.530 1.00 44.32 H new ATOM 0 HG2 GLU A 70 8.277 -2.036 -9.346 1.00 74.42 H new ATOM 0 HG3 GLU A 70 7.866 -1.012 -10.707 1.00 74.42 H new ATOM 1074 N LEU A 71 6.764 -0.536 -7.811 1.00 23.13 N ATOM 1075 CA LEU A 71 6.020 -1.052 -6.667 1.00 11.31 C ATOM 1076 C LEU A 71 6.522 -2.436 -6.270 1.00 73.41 C ATOM 1077 O LEU A 71 6.359 -3.403 -7.014 1.00 65.35 O ATOM 1078 CB LEU A 71 4.526 -1.112 -6.991 1.00 1.55 C ATOM 1079 CG LEU A 71 3.605 -0.330 -6.054 1.00 15.42 C ATOM 1080 CD1 LEU A 71 4.060 1.117 -5.942 1.00 51.12 C ATOM 1081 CD2 LEU A 71 2.164 -0.401 -6.540 1.00 64.32 C ATOM 0 H LEU A 71 6.549 -0.996 -8.696 1.00 23.13 H new ATOM 0 HA LEU A 71 6.177 -0.375 -5.827 1.00 11.31 H new ATOM 0 HB2 LEU A 71 4.379 -0.741 -8.005 1.00 1.55 H new ATOM 0 HB3 LEU A 71 4.215 -2.157 -6.986 1.00 1.55 H new ATOM 0 HG LEU A 71 3.657 -0.783 -5.064 1.00 15.42 H new ATOM 0 HD11 LEU A 71 3.392 1.657 -5.271 1.00 51.12 H new ATOM 0 HD12 LEU A 71 5.075 1.150 -5.547 1.00 51.12 H new ATOM 0 HD13 LEU A 71 4.039 1.582 -6.927 1.00 51.12 H new ATOM 0 HD21 LEU A 71 1.523 0.161 -5.861 1.00 64.32 H new ATOM 0 HD22 LEU A 71 2.096 0.026 -7.540 1.00 64.32 H new ATOM 0 HD23 LEU A 71 1.840 -1.441 -6.567 1.00 64.32 H new ATOM 1093 N SER A 72 7.130 -2.524 -5.092 1.00 21.54 N ATOM 1094 CA SER A 72 7.657 -3.791 -4.596 1.00 40.31 C ATOM 1095 C SER A 72 6.528 -4.781 -4.327 1.00 40.02 C ATOM 1096 O SER A 72 6.723 -5.995 -4.388 1.00 70.42 O ATOM 1097 CB SER A 72 8.468 -3.565 -3.318 1.00 52.15 C ATOM 1098 OG SER A 72 8.252 -4.610 -2.386 1.00 62.22 O ATOM 0 H SER A 72 7.270 -1.734 -4.463 1.00 21.54 H new ATOM 0 HA SER A 72 8.309 -4.210 -5.362 1.00 40.31 H new ATOM 0 HB2 SER A 72 9.529 -3.505 -3.562 1.00 52.15 H new ATOM 0 HB3 SER A 72 8.189 -2.611 -2.871 1.00 52.15 H new ATOM 0 HG SER A 72 8.859 -4.500 -1.625 1.00 62.22 H new