USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=9 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 150:sc= -0.133 USER MOD Single : A 7 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.522) 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 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) 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 -61:sc= -2.04! USER MOD Single : A 72 SER OG : rot 180:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.395 0.438 -3.350 1.00 72.12 N ATOM 19 CA LYS A 2 3.814 0.401 -3.019 1.00 63.20 C ATOM 20 C LYS A 2 4.630 1.201 -4.030 1.00 12.04 C ATOM 21 O LYS A 2 4.449 1.060 -5.239 1.00 65.31 O ATOM 22 CB LYS A 2 4.312 -1.046 -2.977 1.00 53.13 C ATOM 23 CG LYS A 2 3.833 -1.819 -1.761 1.00 11.13 C ATOM 24 CD LYS A 2 4.946 -2.003 -0.743 1.00 43.22 C ATOM 25 CE LYS A 2 4.392 -2.281 0.646 1.00 52.24 C ATOM 26 NZ LYS A 2 4.202 -3.738 0.886 1.00 72.15 N ATOM 0 HA LYS A 2 3.943 0.852 -2.035 1.00 63.20 H new ATOM 0 HB2 LYS A 2 3.981 -1.562 -3.878 1.00 53.13 H new ATOM 0 HB3 LYS A 2 5.402 -1.047 -2.991 1.00 53.13 H new ATOM 0 HG2 LYS A 2 2.999 -1.291 -1.298 1.00 11.13 H new ATOM 0 HG3 LYS A 2 3.459 -2.794 -2.073 1.00 11.13 H new ATOM 0 HD2 LYS A 2 5.589 -2.827 -1.051 1.00 43.22 H new ATOM 0 HD3 LYS A 2 5.567 -1.108 -0.716 1.00 43.22 H new ATOM 0 HE2 LYS A 2 5.071 -1.875 1.396 1.00 52.24 H new ATOM 0 HE3 LYS A 2 3.439 -1.766 0.767 1.00 52.24 H new ATOM 0 HZ1 LYS A 2 3.823 -3.886 1.843 1.00 72.15 H new ATOM 0 HZ2 LYS A 2 3.534 -4.121 0.187 1.00 72.15 H new ATOM 0 HZ3 LYS A 2 5.116 -4.227 0.796 1.00 72.15 H new ATOM 40 N VAL A 3 5.529 2.041 -3.526 1.00 33.23 N ATOM 41 CA VAL A 3 6.374 2.861 -4.385 1.00 10.54 C ATOM 42 C VAL A 3 7.851 2.579 -4.134 1.00 70.43 C ATOM 43 O VAL A 3 8.286 2.462 -2.988 1.00 40.34 O ATOM 44 CB VAL A 3 6.106 4.363 -4.167 1.00 30.52 C ATOM 45 CG1 VAL A 3 6.421 5.150 -5.429 1.00 50.14 C ATOM 46 CG2 VAL A 3 4.666 4.589 -3.733 1.00 34.41 C ATOM 0 H VAL A 3 5.690 2.171 -2.527 1.00 33.23 H new ATOM 0 HA VAL A 3 6.127 2.600 -5.414 1.00 10.54 H new ATOM 0 HB VAL A 3 6.761 4.720 -3.372 1.00 30.52 H new ATOM 0 HG11 VAL A 3 6.226 6.208 -5.256 1.00 50.14 H new ATOM 0 HG12 VAL A 3 7.470 5.013 -5.691 1.00 50.14 H new ATOM 0 HG13 VAL A 3 5.793 4.794 -6.246 1.00 50.14 H new ATOM 0 HG21 VAL A 3 4.494 5.655 -3.583 1.00 34.41 H new ATOM 0 HG22 VAL A 3 3.991 4.217 -4.504 1.00 34.41 H new ATOM 0 HG23 VAL A 3 4.479 4.057 -2.800 1.00 34.41 H new ATOM 56 N TYR A 4 8.618 2.469 -5.213 1.00 53.35 N ATOM 57 CA TYR A 4 10.047 2.198 -5.112 1.00 33.05 C ATOM 58 C TYR A 4 10.861 3.316 -5.756 1.00 32.14 C ATOM 59 O TYR A 4 10.771 3.550 -6.961 1.00 10.32 O ATOM 60 CB TYR A 4 10.382 0.861 -5.774 1.00 72.15 C ATOM 61 CG TYR A 4 11.610 0.912 -6.654 1.00 44.33 C ATOM 62 CD1 TYR A 4 12.885 0.889 -6.103 1.00 45.50 C ATOM 63 CD2 TYR A 4 11.496 0.983 -8.037 1.00 72.23 C ATOM 64 CE1 TYR A 4 14.011 0.937 -6.903 1.00 55.11 C ATOM 65 CE2 TYR A 4 12.615 1.029 -8.845 1.00 44.33 C ATOM 66 CZ TYR A 4 13.870 1.007 -8.274 1.00 24.24 C ATOM 67 OH TYR A 4 14.989 1.053 -9.074 1.00 73.01 O ATOM 0 H TYR A 4 8.274 2.563 -6.168 1.00 53.35 H new ATOM 0 HA TYR A 4 10.307 2.147 -4.055 1.00 33.05 H new ATOM 0 HB2 TYR A 4 10.531 0.109 -4.999 1.00 72.15 H new ATOM 0 HB3 TYR A 4 9.530 0.538 -6.372 1.00 72.15 H new ATOM 0 HD1 TYR A 4 12.998 0.833 -5.030 1.00 45.50 H new ATOM 0 HD2 TYR A 4 10.515 1.003 -8.488 1.00 72.23 H new ATOM 0 HE1 TYR A 4 14.995 0.920 -6.458 1.00 55.11 H new ATOM 0 HE2 TYR A 4 12.508 1.082 -9.918 1.00 44.33 H new ATOM 0 HH TYR A 4 14.791 0.633 -9.937 1.00 73.01 H new ATOM 77 N VAL A 5 11.657 4.003 -4.943 1.00 14.54 N ATOM 78 CA VAL A 5 12.489 5.096 -5.431 1.00 41.14 C ATOM 79 C VAL A 5 13.948 4.894 -5.038 1.00 11.14 C ATOM 80 O VAL A 5 14.325 5.099 -3.884 1.00 74.54 O ATOM 81 CB VAL A 5 12.006 6.455 -4.890 1.00 61.05 C ATOM 82 CG1 VAL A 5 10.743 6.899 -5.612 1.00 72.32 C ATOM 83 CG2 VAL A 5 11.773 6.378 -3.389 1.00 43.02 C ATOM 0 H VAL A 5 11.743 3.822 -3.943 1.00 14.54 H new ATOM 0 HA VAL A 5 12.405 5.096 -6.518 1.00 41.14 H new ATOM 0 HB VAL A 5 12.782 7.197 -5.076 1.00 61.05 H new ATOM 0 HG11 VAL A 5 10.417 7.861 -5.216 1.00 72.32 H new ATOM 0 HG12 VAL A 5 10.948 6.996 -6.678 1.00 72.32 H new ATOM 0 HG13 VAL A 5 9.958 6.159 -5.460 1.00 72.32 H new ATOM 0 HG21 VAL A 5 11.432 7.347 -3.024 1.00 43.02 H new ATOM 0 HG22 VAL A 5 11.016 5.623 -3.177 1.00 43.02 H new ATOM 0 HG23 VAL A 5 12.704 6.109 -2.890 1.00 43.02 H new ATOM 93 N GLY A 6 14.766 4.491 -6.005 1.00 43.32 N ATOM 94 CA GLY A 6 16.176 4.269 -5.740 1.00 35.40 C ATOM 95 C GLY A 6 17.072 5.126 -6.611 1.00 60.12 C ATOM 96 O GLY A 6 16.660 6.183 -7.087 1.00 33.14 O ATOM 0 H GLY A 6 14.478 4.314 -6.967 1.00 43.32 H new ATOM 0 HA2 GLY A 6 16.383 4.482 -4.691 1.00 35.40 H new ATOM 0 HA3 GLY A 6 16.412 3.218 -5.905 1.00 35.40 H new ATOM 100 N ASN A 7 18.303 4.670 -6.820 1.00 1.23 N ATOM 101 CA ASN A 7 19.261 5.404 -7.638 1.00 4.41 C ATOM 102 C ASN A 7 19.574 6.764 -7.021 1.00 52.52 C ATOM 103 O ASN A 7 19.261 7.807 -7.598 1.00 65.25 O ATOM 104 CB ASN A 7 18.718 5.588 -9.056 1.00 73.22 C ATOM 105 CG ASN A 7 19.111 4.449 -9.978 1.00 12.42 C ATOM 106 OD1 ASN A 7 19.879 4.637 -10.921 1.00 71.14 O ATOM 107 ND2 ASN A 7 18.584 3.261 -9.708 1.00 32.24 N ATOM 0 H ASN A 7 18.660 3.796 -6.434 1.00 1.23 H new ATOM 0 HA ASN A 7 20.183 4.824 -7.682 1.00 4.41 H new ATOM 0 HB2 ASN A 7 17.631 5.663 -9.019 1.00 73.22 H new ATOM 0 HB3 ASN A 7 19.089 6.528 -9.465 1.00 73.22 H new ATOM 0 HD21 ASN A 7 18.811 2.457 -10.293 1.00 32.24 H new ATOM 0 HD22 ASN A 7 17.952 3.152 -8.915 1.00 32.24 H new ATOM 114 N LEU A 8 20.192 6.747 -5.846 1.00 23.33 N ATOM 115 CA LEU A 8 20.548 7.978 -5.150 1.00 3.52 C ATOM 116 C LEU A 8 22.046 8.250 -5.254 1.00 73.42 C ATOM 117 O LEU A 8 22.806 7.955 -4.333 1.00 61.32 O ATOM 118 CB LEU A 8 20.135 7.895 -3.679 1.00 60.54 C ATOM 119 CG LEU A 8 18.796 7.213 -3.397 1.00 13.25 C ATOM 120 CD1 LEU A 8 18.599 7.023 -1.901 1.00 11.04 C ATOM 121 CD2 LEU A 8 17.650 8.022 -3.988 1.00 64.24 C ATOM 0 H LEU A 8 20.457 5.893 -5.355 1.00 23.33 H new ATOM 0 HA LEU A 8 20.014 8.801 -5.625 1.00 3.52 H new ATOM 0 HB2 LEU A 8 20.914 7.362 -3.133 1.00 60.54 H new ATOM 0 HB3 LEU A 8 20.097 8.907 -3.275 1.00 60.54 H new ATOM 0 HG LEU A 8 18.804 6.231 -3.870 1.00 13.25 H new ATOM 0 HD11 LEU A 8 17.641 6.536 -1.719 1.00 11.04 H new ATOM 0 HD12 LEU A 8 19.402 6.402 -1.504 1.00 11.04 H new ATOM 0 HD13 LEU A 8 18.612 7.994 -1.406 1.00 11.04 H new ATOM 0 HD21 LEU A 8 16.705 7.521 -3.778 1.00 64.24 H new ATOM 0 HD22 LEU A 8 17.640 9.017 -3.544 1.00 64.24 H new ATOM 0 HD23 LEU A 8 17.783 8.107 -5.066 1.00 64.24 H new ATOM 161 N ALA A 12 20.384 13.349 -4.694 1.00 53.33 N ATOM 162 CA ALA A 12 18.958 13.056 -4.617 1.00 61.51 C ATOM 163 C ALA A 12 18.694 11.850 -3.722 1.00 33.14 C ATOM 164 O ALA A 12 18.935 10.709 -4.113 1.00 74.22 O ATOM 165 CB ALA A 12 18.393 12.816 -6.009 1.00 74.41 C ATOM 0 HA ALA A 12 18.458 13.919 -4.177 1.00 61.51 H new ATOM 0 HB1 ALA A 12 17.327 12.598 -5.937 1.00 74.41 H new ATOM 0 HB2 ALA A 12 18.541 13.706 -6.620 1.00 74.41 H new ATOM 0 HB3 ALA A 12 18.905 11.971 -6.469 1.00 74.41 H new ATOM 171 N GLY A 13 18.197 12.111 -2.516 1.00 41.22 N ATOM 172 CA GLY A 13 17.909 11.037 -1.584 1.00 2.13 C ATOM 173 C GLY A 13 16.546 11.181 -0.937 1.00 31.32 C ATOM 174 O GLY A 13 15.534 11.317 -1.626 1.00 4.15 O ATOM 0 H GLY A 13 17.989 13.047 -2.169 1.00 41.22 H new ATOM 0 HA2 GLY A 13 17.960 10.082 -2.107 1.00 2.13 H new ATOM 0 HA3 GLY A 13 18.675 11.017 -0.809 1.00 2.13 H new ATOM 178 N LYS A 14 16.517 11.149 0.391 1.00 34.41 N ATOM 179 CA LYS A 14 15.268 11.276 1.133 1.00 74.23 C ATOM 180 C LYS A 14 14.640 12.648 0.910 1.00 1.23 C ATOM 181 O LYS A 14 13.453 12.757 0.605 1.00 63.30 O ATOM 182 CB LYS A 14 15.512 11.051 2.627 1.00 43.15 C ATOM 183 CG LYS A 14 14.260 10.669 3.397 1.00 25.12 C ATOM 184 CD LYS A 14 13.717 11.842 4.195 1.00 0.23 C ATOM 185 CE LYS A 14 12.795 11.377 5.312 1.00 55.43 C ATOM 186 NZ LYS A 14 13.522 10.576 6.334 1.00 33.44 N ATOM 0 H LYS A 14 17.345 11.036 0.976 1.00 34.41 H new ATOM 0 HA LYS A 14 14.578 10.516 0.766 1.00 74.23 H new ATOM 0 HB2 LYS A 14 16.258 10.266 2.751 1.00 43.15 H new ATOM 0 HB3 LYS A 14 15.931 11.960 3.059 1.00 43.15 H new ATOM 0 HG2 LYS A 14 13.498 10.316 2.702 1.00 25.12 H new ATOM 0 HG3 LYS A 14 14.484 9.842 4.071 1.00 25.12 H new ATOM 0 HD2 LYS A 14 14.545 12.410 4.618 1.00 0.23 H new ATOM 0 HD3 LYS A 14 13.175 12.515 3.531 1.00 0.23 H new ATOM 0 HE2 LYS A 14 12.336 12.243 5.789 1.00 55.43 H new ATOM 0 HE3 LYS A 14 11.986 10.780 4.890 1.00 55.43 H new ATOM 0 HZ1 LYS A 14 13.011 10.621 7.238 1.00 33.44 H new ATOM 0 HZ2 LYS A 14 13.584 9.587 6.020 1.00 33.44 H new ATOM 0 HZ3 LYS A 14 14.480 10.960 6.459 1.00 33.44 H new ATOM 200 N GLY A 15 15.446 13.695 1.064 1.00 30.43 N ATOM 201 CA GLY A 15 14.952 15.046 0.875 1.00 34.21 C ATOM 202 C GLY A 15 14.423 15.279 -0.527 1.00 25.15 C ATOM 203 O GLY A 15 13.372 15.892 -0.706 1.00 33.23 O ATOM 0 H GLY A 15 16.432 13.631 1.316 1.00 30.43 H new ATOM 0 HA2 GLY A 15 14.159 15.244 1.597 1.00 34.21 H new ATOM 0 HA3 GLY A 15 15.754 15.755 1.080 1.00 34.21 H new ATOM 207 N GLU A 16 15.156 14.790 -1.522 1.00 40.24 N ATOM 208 CA GLU A 16 14.755 14.952 -2.915 1.00 64.51 C ATOM 209 C GLU A 16 13.433 14.241 -3.187 1.00 34.25 C ATOM 210 O GLU A 16 12.466 14.855 -3.639 1.00 51.43 O ATOM 211 CB GLU A 16 15.840 14.407 -3.847 1.00 50.43 C ATOM 212 CG GLU A 16 16.451 15.464 -4.753 1.00 34.14 C ATOM 213 CD GLU A 16 15.403 16.305 -5.457 1.00 24.23 C ATOM 214 OE1 GLU A 16 14.952 15.900 -6.548 1.00 62.12 O ATOM 215 OE2 GLU A 16 15.035 17.368 -4.915 1.00 42.30 O ATOM 0 H GLU A 16 16.029 14.279 -1.390 1.00 40.24 H new ATOM 0 HA GLU A 16 14.621 16.017 -3.106 1.00 64.51 H new ATOM 0 HB2 GLU A 16 16.629 13.955 -3.247 1.00 50.43 H new ATOM 0 HB3 GLU A 16 15.414 13.615 -4.463 1.00 50.43 H new ATOM 0 HG2 GLU A 16 17.097 16.114 -4.163 1.00 34.14 H new ATOM 0 HG3 GLU A 16 17.082 14.979 -5.497 1.00 34.14 H new ATOM 222 N LEU A 17 13.397 12.943 -2.907 1.00 64.54 N ATOM 223 CA LEU A 17 12.194 12.146 -3.121 1.00 51.34 C ATOM 224 C LEU A 17 11.040 12.663 -2.268 1.00 23.24 C ATOM 225 O LEU A 17 9.875 12.536 -2.641 1.00 33.01 O ATOM 226 CB LEU A 17 12.466 10.677 -2.796 1.00 23.32 C ATOM 227 CG LEU A 17 12.203 10.249 -1.351 1.00 41.34 C ATOM 228 CD1 LEU A 17 10.761 9.795 -1.183 1.00 44.33 C ATOM 229 CD2 LEU A 17 13.164 9.144 -0.939 1.00 31.31 C ATOM 0 H LEU A 17 14.188 12.420 -2.531 1.00 64.54 H new ATOM 0 HA LEU A 17 11.913 12.232 -4.171 1.00 51.34 H new ATOM 0 HB2 LEU A 17 11.853 10.061 -3.454 1.00 23.32 H new ATOM 0 HB3 LEU A 17 13.507 10.460 -3.034 1.00 23.32 H new ATOM 0 HG LEU A 17 12.370 11.108 -0.701 1.00 41.34 H new ATOM 0 HD11 LEU A 17 10.592 9.494 -0.149 1.00 44.33 H new ATOM 0 HD12 LEU A 17 10.089 10.615 -1.437 1.00 44.33 H new ATOM 0 HD13 LEU A 17 10.566 8.950 -1.843 1.00 44.33 H new ATOM 0 HD21 LEU A 17 12.962 8.852 0.092 1.00 31.31 H new ATOM 0 HD22 LEU A 17 13.030 8.282 -1.593 1.00 31.31 H new ATOM 0 HD23 LEU A 17 14.189 9.505 -1.020 1.00 31.31 H new ATOM 241 N GLU A 18 11.375 13.247 -1.121 1.00 55.12 N ATOM 242 CA GLU A 18 10.366 13.784 -0.216 1.00 14.03 C ATOM 243 C GLU A 18 9.680 15.003 -0.826 1.00 43.21 C ATOM 244 O GLU A 18 8.453 15.104 -0.826 1.00 63.53 O ATOM 245 CB GLU A 18 11.000 14.160 1.125 1.00 31.21 C ATOM 246 CG GLU A 18 10.033 14.822 2.092 1.00 54.24 C ATOM 247 CD GLU A 18 10.539 14.814 3.521 1.00 52.10 C ATOM 248 OE1 GLU A 18 11.752 15.034 3.721 1.00 11.13 O ATOM 249 OE2 GLU A 18 9.723 14.588 4.439 1.00 60.33 O ATOM 0 H GLU A 18 12.336 13.360 -0.797 1.00 55.12 H new ATOM 0 HA GLU A 18 9.615 13.011 -0.051 1.00 14.03 H new ATOM 0 HB2 GLU A 18 11.407 13.262 1.589 1.00 31.21 H new ATOM 0 HB3 GLU A 18 11.838 14.833 0.945 1.00 31.21 H new ATOM 0 HG2 GLU A 18 9.859 15.851 1.778 1.00 54.24 H new ATOM 0 HG3 GLU A 18 9.073 14.308 2.048 1.00 54.24 H new ATOM 256 N ARG A 19 10.482 15.928 -1.344 1.00 62.45 N ATOM 257 CA ARG A 19 9.954 17.141 -1.956 1.00 41.03 C ATOM 258 C ARG A 19 9.127 16.810 -3.195 1.00 31.31 C ATOM 259 O ARG A 19 8.044 17.359 -3.395 1.00 70.24 O ATOM 260 CB ARG A 19 11.096 18.087 -2.331 1.00 1.42 C ATOM 261 CG ARG A 19 10.643 19.514 -2.594 1.00 42.23 C ATOM 262 CD ARG A 19 11.028 20.441 -1.451 1.00 74.34 C ATOM 263 NE ARG A 19 10.208 20.214 -0.264 1.00 10.50 N ATOM 264 CZ ARG A 19 10.301 20.943 0.843 1.00 54.33 C ATOM 265 NH1 ARG A 19 11.172 21.940 0.913 1.00 21.01 N ATOM 266 NH2 ARG A 19 9.520 20.676 1.882 1.00 70.11 N ATOM 0 H ARG A 19 11.500 15.860 -1.352 1.00 62.45 H new ATOM 0 HA ARG A 19 9.307 17.632 -1.229 1.00 41.03 H new ATOM 0 HB2 ARG A 19 11.832 18.091 -1.527 1.00 1.42 H new ATOM 0 HB3 ARG A 19 11.597 17.704 -3.220 1.00 1.42 H new ATOM 0 HG2 ARG A 19 11.089 19.873 -3.521 1.00 42.23 H new ATOM 0 HG3 ARG A 19 9.562 19.534 -2.732 1.00 42.23 H new ATOM 0 HD2 ARG A 19 12.078 20.291 -1.200 1.00 74.34 H new ATOM 0 HD3 ARG A 19 10.922 21.477 -1.773 1.00 74.34 H new ATOM 0 HE ARG A 19 9.527 19.455 -0.286 1.00 10.50 H new ATOM 0 HH11 ARG A 19 11.773 22.149 0.116 1.00 21.01 H new ATOM 0 HH12 ARG A 19 11.241 22.498 1.764 1.00 21.01 H new ATOM 0 HH21 ARG A 19 8.848 19.911 1.831 1.00 70.11 H new ATOM 0 HH22 ARG A 19 9.592 21.236 2.731 1.00 70.11 H new ATOM 280 N ALA A 20 9.645 15.909 -4.023 1.00 24.52 N ATOM 281 CA ALA A 20 8.954 15.503 -5.240 1.00 45.05 C ATOM 282 C ALA A 20 7.616 14.848 -4.920 1.00 35.53 C ATOM 283 O ALA A 20 6.562 15.328 -5.338 1.00 32.30 O ATOM 284 CB ALA A 20 9.827 14.557 -6.052 1.00 33.40 C ATOM 0 H ALA A 20 10.541 15.446 -3.873 1.00 24.52 H new ATOM 0 HA ALA A 20 8.758 16.397 -5.832 1.00 45.05 H new ATOM 0 HB1 ALA A 20 9.298 14.262 -6.958 1.00 33.40 H new ATOM 0 HB2 ALA A 20 10.756 15.060 -6.321 1.00 33.40 H new ATOM 0 HB3 ALA A 20 10.053 13.671 -5.459 1.00 33.40 H new ATOM 290 N PHE A 21 7.664 13.748 -4.175 1.00 73.45 N ATOM 291 CA PHE A 21 6.454 13.025 -3.800 1.00 60.00 C ATOM 292 C PHE A 21 5.430 13.967 -3.174 1.00 52.23 C ATOM 293 O PHE A 21 4.278 14.023 -3.605 1.00 11.44 O ATOM 294 CB PHE A 21 6.791 11.897 -2.822 1.00 52.50 C ATOM 295 CG PHE A 21 7.108 10.594 -3.497 1.00 21.43 C ATOM 296 CD1 PHE A 21 8.271 10.445 -4.235 1.00 51.44 C ATOM 297 CD2 PHE A 21 6.243 9.516 -3.393 1.00 1.14 C ATOM 298 CE1 PHE A 21 8.566 9.247 -4.857 1.00 60.22 C ATOM 299 CE2 PHE A 21 6.533 8.315 -4.012 1.00 1.12 C ATOM 300 CZ PHE A 21 7.695 8.181 -4.746 1.00 63.40 C ATOM 0 H PHE A 21 8.528 13.338 -3.819 1.00 73.45 H new ATOM 0 HA PHE A 21 6.022 12.596 -4.704 1.00 60.00 H new ATOM 0 HB2 PHE A 21 7.643 12.198 -2.212 1.00 52.50 H new ATOM 0 HB3 PHE A 21 5.950 11.751 -2.144 1.00 52.50 H new ATOM 0 HD1 PHE A 21 8.955 11.276 -4.325 1.00 51.44 H new ATOM 0 HD2 PHE A 21 5.332 9.616 -2.822 1.00 1.14 H new ATOM 0 HE1 PHE A 21 9.476 9.144 -5.429 1.00 60.22 H new ATOM 0 HE2 PHE A 21 5.852 7.482 -3.922 1.00 1.12 H new ATOM 0 HZ PHE A 21 7.922 7.244 -5.233 1.00 63.40 H new ATOM 310 N SER A 22 5.859 14.705 -2.155 1.00 55.23 N ATOM 311 CA SER A 22 4.979 15.642 -1.467 1.00 14.15 C ATOM 312 C SER A 22 4.405 16.666 -2.442 1.00 21.14 C ATOM 313 O SER A 22 3.221 16.998 -2.385 1.00 72.13 O ATOM 314 CB SER A 22 5.737 16.357 -0.346 1.00 75.22 C ATOM 315 OG SER A 22 5.068 17.543 0.045 1.00 1.54 O ATOM 0 H SER A 22 6.810 14.672 -1.788 1.00 55.23 H new ATOM 0 HA SER A 22 4.154 15.076 -1.035 1.00 14.15 H new ATOM 0 HB2 SER A 22 5.836 15.692 0.512 1.00 75.22 H new ATOM 0 HB3 SER A 22 6.746 16.598 -0.681 1.00 75.22 H new ATOM 0 HG SER A 22 5.571 17.981 0.763 1.00 1.54 H new ATOM 321 N TYR A 23 5.254 17.162 -3.335 1.00 13.53 N ATOM 322 CA TYR A 23 4.833 18.150 -4.321 1.00 45.43 C ATOM 323 C TYR A 23 3.656 17.634 -5.142 1.00 71.23 C ATOM 324 O TYR A 23 2.674 18.345 -5.356 1.00 40.24 O ATOM 325 CB TYR A 23 5.998 18.505 -5.247 1.00 64.11 C ATOM 326 CG TYR A 23 6.714 19.779 -4.859 1.00 22.00 C ATOM 327 CD1 TYR A 23 6.998 20.062 -3.528 1.00 61.44 C ATOM 328 CD2 TYR A 23 7.106 20.700 -5.822 1.00 54.52 C ATOM 329 CE1 TYR A 23 7.651 21.225 -3.169 1.00 23.41 C ATOM 330 CE2 TYR A 23 7.760 21.865 -5.472 1.00 44.30 C ATOM 331 CZ TYR A 23 8.031 22.123 -4.144 1.00 72.03 C ATOM 332 OH TYR A 23 8.682 23.283 -3.791 1.00 73.12 O ATOM 0 H TYR A 23 6.237 16.896 -3.396 1.00 13.53 H new ATOM 0 HA TYR A 23 4.515 19.046 -3.787 1.00 45.43 H new ATOM 0 HB2 TYR A 23 6.713 17.682 -5.249 1.00 64.11 H new ATOM 0 HB3 TYR A 23 5.624 18.604 -6.266 1.00 64.11 H new ATOM 0 HD1 TYR A 23 6.703 19.361 -2.762 1.00 61.44 H new ATOM 0 HD2 TYR A 23 6.896 20.502 -6.863 1.00 54.52 H new ATOM 0 HE1 TYR A 23 7.863 21.430 -2.130 1.00 23.41 H new ATOM 0 HE2 TYR A 23 8.058 22.570 -6.234 1.00 44.30 H new ATOM 0 HH TYR A 23 8.880 23.805 -4.596 1.00 73.12 H new ATOM 342 N TYR A 24 3.762 16.391 -5.599 1.00 33.13 N ATOM 343 CA TYR A 24 2.707 15.778 -6.398 1.00 24.33 C ATOM 344 C TYR A 24 1.493 15.447 -5.536 1.00 12.24 C ATOM 345 O TYR A 24 0.355 15.502 -5.999 1.00 54.42 O ATOM 346 CB TYR A 24 3.226 14.509 -7.076 1.00 75.44 C ATOM 347 CG TYR A 24 4.054 14.778 -8.313 1.00 35.05 C ATOM 348 CD1 TYR A 24 5.191 15.573 -8.251 1.00 63.12 C ATOM 349 CD2 TYR A 24 3.698 14.236 -9.542 1.00 2.41 C ATOM 350 CE1 TYR A 24 5.950 15.822 -9.378 1.00 41.13 C ATOM 351 CE2 TYR A 24 4.452 14.479 -10.674 1.00 10.10 C ATOM 352 CZ TYR A 24 5.577 15.273 -10.587 1.00 74.12 C ATOM 353 OH TYR A 24 6.331 15.518 -11.712 1.00 34.41 O ATOM 0 H TYR A 24 4.567 15.788 -5.430 1.00 33.13 H new ATOM 0 HA TYR A 24 2.403 16.493 -7.162 1.00 24.33 H new ATOM 0 HB2 TYR A 24 3.827 13.946 -6.362 1.00 75.44 H new ATOM 0 HB3 TYR A 24 2.379 13.879 -7.346 1.00 75.44 H new ATOM 0 HD1 TYR A 24 5.487 16.004 -7.306 1.00 63.12 H new ATOM 0 HD2 TYR A 24 2.818 13.615 -9.614 1.00 2.41 H new ATOM 0 HE1 TYR A 24 6.831 16.443 -9.313 1.00 41.13 H new ATOM 0 HE2 TYR A 24 4.162 14.050 -11.622 1.00 10.10 H new ATOM 0 HH TYR A 24 5.933 15.057 -12.480 1.00 34.41 H new ATOM 363 N GLY A 25 1.745 15.104 -4.276 1.00 71.40 N ATOM 364 CA GLY A 25 0.664 14.770 -3.368 1.00 33.44 C ATOM 365 C GLY A 25 1.161 14.147 -2.078 1.00 62.02 C ATOM 366 O GLY A 25 2.275 13.628 -2.004 1.00 20.31 O ATOM 0 H GLY A 25 2.679 15.052 -3.868 1.00 71.40 H new ATOM 0 HA2 GLY A 25 0.096 15.671 -3.137 1.00 33.44 H new ATOM 0 HA3 GLY A 25 -0.020 14.080 -3.861 1.00 33.44 H new ATOM 370 N PRO A 26 0.324 14.196 -1.031 1.00 42.13 N ATOM 371 CA PRO A 26 0.664 13.638 0.281 1.00 42.20 C ATOM 372 C PRO A 26 0.714 12.114 0.268 1.00 43.24 C ATOM 373 O PRO A 26 -0.306 11.451 0.075 1.00 23.15 O ATOM 374 CB PRO A 26 -0.474 14.128 1.180 1.00 25.13 C ATOM 375 CG PRO A 26 -1.620 14.349 0.255 1.00 43.04 C ATOM 376 CD PRO A 26 -1.019 14.800 -1.048 1.00 61.31 C ATOM 0 HA PRO A 26 1.654 13.952 0.613 1.00 42.20 H new ATOM 0 HB2 PRO A 26 -0.719 13.391 1.945 1.00 25.13 H new ATOM 0 HB3 PRO A 26 -0.201 15.047 1.699 1.00 25.13 H new ATOM 0 HG2 PRO A 26 -2.197 13.434 0.123 1.00 43.04 H new ATOM 0 HG3 PRO A 26 -2.302 15.101 0.651 1.00 43.04 H new ATOM 0 HD2 PRO A 26 -1.604 14.456 -1.901 1.00 61.31 H new ATOM 0 HD3 PRO A 26 -0.970 15.887 -1.113 1.00 61.31 H new ATOM 384 N LEU A 27 1.906 11.564 0.473 1.00 0.41 N ATOM 385 CA LEU A 27 2.089 10.117 0.485 1.00 0.12 C ATOM 386 C LEU A 27 1.806 9.544 1.870 1.00 11.12 C ATOM 387 O LEU A 27 1.795 10.272 2.863 1.00 34.43 O ATOM 388 CB LEU A 27 3.512 9.760 0.054 1.00 25.41 C ATOM 389 CG LEU A 27 4.640 10.391 0.871 1.00 11.25 C ATOM 390 CD1 LEU A 27 4.855 9.623 2.166 1.00 1.34 C ATOM 391 CD2 LEU A 27 5.925 10.440 0.058 1.00 3.14 C ATOM 0 H LEU A 27 2.760 12.098 0.633 1.00 0.41 H new ATOM 0 HA LEU A 27 1.382 9.680 -0.220 1.00 0.12 H new ATOM 0 HB2 LEU A 27 3.622 8.676 0.097 1.00 25.41 H new ATOM 0 HB3 LEU A 27 3.638 10.052 -0.988 1.00 25.41 H new ATOM 0 HG LEU A 27 4.354 11.412 1.122 1.00 11.25 H new ATOM 0 HD11 LEU A 27 5.661 10.086 2.734 1.00 1.34 H new ATOM 0 HD12 LEU A 27 3.939 9.641 2.756 1.00 1.34 H new ATOM 0 HD13 LEU A 27 5.119 8.591 1.937 1.00 1.34 H new ATOM 0 HD21 LEU A 27 6.717 10.892 0.656 1.00 3.14 H new ATOM 0 HD22 LEU A 27 6.216 9.428 -0.224 1.00 3.14 H new ATOM 0 HD23 LEU A 27 5.764 11.035 -0.841 1.00 3.14 H new ATOM 403 N ARG A 28 1.580 8.236 1.929 1.00 70.23 N ATOM 404 CA ARG A 28 1.298 7.565 3.192 1.00 21.11 C ATOM 405 C ARG A 28 2.498 7.647 4.131 1.00 64.54 C ATOM 406 O ARG A 28 2.374 8.070 5.280 1.00 4.23 O ATOM 407 CB ARG A 28 0.929 6.101 2.945 1.00 13.03 C ATOM 408 CG ARG A 28 -0.380 5.685 3.597 1.00 25.35 C ATOM 409 CD ARG A 28 -0.139 4.840 4.839 1.00 71.01 C ATOM 410 NE ARG A 28 -1.155 5.070 5.863 1.00 70.15 N ATOM 411 CZ ARG A 28 -1.280 4.324 6.954 1.00 33.43 C ATOM 412 NH1 ARG A 28 -0.457 3.305 7.163 1.00 15.22 N ATOM 413 NH2 ARG A 28 -2.230 4.596 7.840 1.00 31.21 N ATOM 0 H ARG A 28 1.587 7.620 1.116 1.00 70.23 H new ATOM 0 HA ARG A 28 0.455 8.071 3.663 1.00 21.11 H new ATOM 0 HB2 ARG A 28 0.861 5.928 1.871 1.00 13.03 H new ATOM 0 HB3 ARG A 28 1.730 5.465 3.320 1.00 13.03 H new ATOM 0 HG2 ARG A 28 -0.953 6.573 3.865 1.00 25.35 H new ATOM 0 HG3 ARG A 28 -0.981 5.122 2.883 1.00 25.35 H new ATOM 0 HD2 ARG A 28 -0.133 3.785 4.564 1.00 71.01 H new ATOM 0 HD3 ARG A 28 0.845 5.068 5.247 1.00 71.01 H new ATOM 0 HE ARG A 28 -1.804 5.846 5.733 1.00 70.15 H new ATOM 0 HH11 ARG A 28 0.274 3.093 6.485 1.00 15.22 H new ATOM 0 HH12 ARG A 28 -0.556 2.734 8.002 1.00 15.22 H new ATOM 0 HH21 ARG A 28 -2.865 5.379 7.683 1.00 31.21 H new ATOM 0 HH22 ARG A 28 -2.325 4.022 8.678 1.00 31.21 H new ATOM 427 N THR A 29 3.661 7.237 3.633 1.00 44.31 N ATOM 428 CA THR A 29 4.884 7.262 4.426 1.00 15.35 C ATOM 429 C THR A 29 6.115 7.093 3.545 1.00 63.05 C ATOM 430 O THR A 29 6.052 6.468 2.485 1.00 11.45 O ATOM 431 CB THR A 29 4.879 6.158 5.500 1.00 70.40 C ATOM 432 OG1 THR A 29 4.037 5.076 5.086 1.00 32.12 O ATOM 433 CG2 THR A 29 4.394 6.702 6.835 1.00 3.40 C ATOM 0 H THR A 29 3.781 6.884 2.684 1.00 44.31 H new ATOM 0 HA THR A 29 4.923 8.235 4.916 1.00 15.35 H new ATOM 0 HB THR A 29 5.900 5.797 5.623 1.00 70.40 H new ATOM 0 HG1 THR A 29 4.040 4.377 5.773 1.00 32.12 H new ATOM 0 HG21 THR A 29 4.399 5.903 7.577 1.00 3.40 H new ATOM 0 HG22 THR A 29 5.054 7.506 7.162 1.00 3.40 H new ATOM 0 HG23 THR A 29 3.380 7.087 6.724 1.00 3.40 H new ATOM 441 N VAL A 30 7.236 7.653 3.988 1.00 65.30 N ATOM 442 CA VAL A 30 8.484 7.562 3.239 1.00 23.13 C ATOM 443 C VAL A 30 9.478 6.639 3.937 1.00 53.52 C ATOM 444 O VAL A 30 9.463 6.507 5.161 1.00 63.04 O ATOM 445 CB VAL A 30 9.130 8.948 3.054 1.00 21.14 C ATOM 446 CG1 VAL A 30 9.549 9.526 4.398 1.00 74.32 C ATOM 447 CG2 VAL A 30 10.319 8.860 2.109 1.00 34.31 C ATOM 0 H VAL A 30 7.306 8.175 4.862 1.00 65.30 H new ATOM 0 HA VAL A 30 8.236 7.151 2.260 1.00 23.13 H new ATOM 0 HB VAL A 30 8.392 9.617 2.612 1.00 21.14 H new ATOM 0 HG11 VAL A 30 10.003 10.505 4.247 1.00 74.32 H new ATOM 0 HG12 VAL A 30 8.674 9.627 5.039 1.00 74.32 H new ATOM 0 HG13 VAL A 30 10.271 8.860 4.871 1.00 74.32 H new ATOM 0 HG21 VAL A 30 10.763 9.848 1.990 1.00 34.31 H new ATOM 0 HG22 VAL A 30 11.061 8.176 2.521 1.00 34.31 H new ATOM 0 HG23 VAL A 30 9.986 8.493 1.138 1.00 34.31 H new ATOM 457 N TRP A 31 10.339 6.005 3.150 1.00 23.45 N ATOM 458 CA TRP A 31 11.341 5.094 3.693 1.00 2.00 C ATOM 459 C TRP A 31 12.633 5.163 2.886 1.00 21.02 C ATOM 460 O TRP A 31 12.607 5.363 1.672 1.00 52.54 O ATOM 461 CB TRP A 31 10.807 3.661 3.701 1.00 14.05 C ATOM 462 CG TRP A 31 11.247 2.870 4.896 1.00 73.21 C ATOM 463 CD1 TRP A 31 10.831 3.034 6.186 1.00 2.44 C ATOM 464 CD2 TRP A 31 12.189 1.792 4.910 1.00 33.20 C ATOM 465 NE1 TRP A 31 11.458 2.124 7.002 1.00 62.50 N ATOM 466 CE2 TRP A 31 12.295 1.349 6.243 1.00 3.11 C ATOM 467 CE3 TRP A 31 12.951 1.156 3.926 1.00 32.14 C ATOM 468 CZ2 TRP A 31 13.134 0.302 6.614 1.00 21.35 C ATOM 469 CZ3 TRP A 31 13.783 0.117 4.297 1.00 70.34 C ATOM 470 CH2 TRP A 31 13.869 -0.303 5.631 1.00 52.41 C ATOM 0 H TRP A 31 10.364 6.104 2.135 1.00 23.45 H new ATOM 0 HA TRP A 31 11.557 5.400 4.717 1.00 2.00 H new ATOM 0 HB2 TRP A 31 9.718 3.687 3.672 1.00 14.05 H new ATOM 0 HB3 TRP A 31 11.138 3.152 2.796 1.00 14.05 H new ATOM 0 HD1 TRP A 31 10.114 3.771 6.516 1.00 2.44 H new ATOM 0 HE1 TRP A 31 11.322 2.039 8.009 1.00 62.50 H new ATOM 0 HE3 TRP A 31 12.891 1.471 2.895 1.00 32.14 H new ATOM 0 HZ2 TRP A 31 13.202 -0.022 7.642 1.00 21.35 H new ATOM 0 HZ3 TRP A 31 14.378 -0.380 3.545 1.00 70.34 H new ATOM 0 HH2 TRP A 31 14.528 -1.119 5.888 1.00 52.41 H new ATOM 481 N ILE A 32 13.761 4.996 3.568 1.00 21.42 N ATOM 482 CA ILE A 32 15.063 5.038 2.913 1.00 34.22 C ATOM 483 C ILE A 32 15.905 3.822 3.285 1.00 53.11 C ATOM 484 O ILE A 32 15.904 3.381 4.434 1.00 54.31 O ATOM 485 CB ILE A 32 15.837 6.317 3.282 1.00 62.13 C ATOM 486 CG1 ILE A 32 15.267 7.520 2.527 1.00 20.33 C ATOM 487 CG2 ILE A 32 17.318 6.146 2.976 1.00 53.21 C ATOM 488 CD1 ILE A 32 15.792 7.651 1.115 1.00 41.32 C ATOM 0 H ILE A 32 13.800 4.830 4.574 1.00 21.42 H new ATOM 0 HA ILE A 32 14.877 5.033 1.839 1.00 34.22 H new ATOM 0 HB ILE A 32 15.725 6.497 4.351 1.00 62.13 H new ATOM 0 HG12 ILE A 32 14.181 7.438 2.496 1.00 20.33 H new ATOM 0 HG13 ILE A 32 15.502 8.430 3.079 1.00 20.33 H new ATOM 0 HG21 ILE A 32 17.852 7.058 3.242 1.00 53.21 H new ATOM 0 HG22 ILE A 32 17.715 5.311 3.554 1.00 53.21 H new ATOM 0 HG23 ILE A 32 17.449 5.946 1.913 1.00 53.21 H new ATOM 0 HD11 ILE A 32 15.345 8.525 0.640 1.00 41.32 H new ATOM 0 HD12 ILE A 32 16.876 7.765 1.139 1.00 41.32 H new ATOM 0 HD13 ILE A 32 15.534 6.758 0.546 1.00 41.32 H new ATOM 500 N ALA A 33 16.624 3.286 2.305 1.00 64.41 N ATOM 501 CA ALA A 33 17.475 2.123 2.530 1.00 54.14 C ATOM 502 C ALA A 33 18.948 2.515 2.545 1.00 41.43 C ATOM 503 O ALA A 33 19.541 2.779 1.498 1.00 14.43 O ATOM 504 CB ALA A 33 17.218 1.068 1.464 1.00 62.20 C ATOM 0 H ALA A 33 16.635 3.638 1.348 1.00 64.41 H new ATOM 0 HA ALA A 33 17.228 1.706 3.506 1.00 54.14 H new ATOM 0 HB1 ALA A 33 17.860 0.205 1.644 1.00 62.20 H new ATOM 0 HB2 ALA A 33 16.174 0.758 1.503 1.00 62.20 H new ATOM 0 HB3 ALA A 33 17.436 1.484 0.480 1.00 62.20 H new ATOM 510 N ARG A 34 19.534 2.552 3.737 1.00 13.31 N ATOM 511 CA ARG A 34 20.938 2.914 3.888 1.00 51.41 C ATOM 512 C ARG A 34 21.843 1.736 3.541 1.00 45.55 C ATOM 513 O ARG A 34 22.973 1.921 3.090 1.00 41.31 O ATOM 514 CB ARG A 34 21.216 3.381 5.318 1.00 34.42 C ATOM 515 CG ARG A 34 22.331 4.409 5.418 1.00 73.30 C ATOM 516 CD ARG A 34 22.716 4.674 6.865 1.00 71.01 C ATOM 517 NE ARG A 34 21.698 5.450 7.569 1.00 63.31 N ATOM 518 CZ ARG A 34 21.904 6.039 8.741 1.00 10.04 C ATOM 519 NH1 ARG A 34 23.084 5.942 9.338 1.00 20.10 N ATOM 520 NH2 ARG A 34 20.928 6.728 9.319 1.00 22.24 N ATOM 0 H ARG A 34 19.058 2.336 4.613 1.00 13.31 H new ATOM 0 HA ARG A 34 21.153 3.731 3.199 1.00 51.41 H new ATOM 0 HB2 ARG A 34 20.303 3.806 5.736 1.00 34.42 H new ATOM 0 HB3 ARG A 34 21.475 2.517 5.930 1.00 34.42 H new ATOM 0 HG2 ARG A 34 23.203 4.056 4.867 1.00 73.30 H new ATOM 0 HG3 ARG A 34 22.012 5.340 4.949 1.00 73.30 H new ATOM 0 HD2 ARG A 34 22.868 3.725 7.379 1.00 71.01 H new ATOM 0 HD3 ARG A 34 23.665 5.209 6.895 1.00 71.01 H new ATOM 0 HE ARG A 34 20.779 5.544 7.137 1.00 63.31 H new ATOM 0 HH11 ARG A 34 23.837 5.414 8.897 1.00 20.10 H new ATOM 0 HH12 ARG A 34 23.239 6.396 10.238 1.00 20.10 H new ATOM 0 HH21 ARG A 34 20.019 6.805 8.863 1.00 22.24 H new ATOM 0 HH22 ARG A 34 21.087 7.180 10.219 1.00 22.24 H new ATOM 534 N ASN A 35 21.339 0.526 3.754 1.00 32.42 N ATOM 535 CA ASN A 35 22.103 -0.683 3.465 1.00 54.32 C ATOM 536 C ASN A 35 22.738 -0.606 2.080 1.00 50.11 C ATOM 537 O ASN A 35 23.957 -0.676 1.924 1.00 23.22 O ATOM 538 CB ASN A 35 21.201 -1.915 3.557 1.00 72.31 C ATOM 539 CG ASN A 35 21.431 -2.706 4.831 1.00 55.25 C ATOM 540 OD1 ASN A 35 21.181 -2.216 5.932 1.00 50.20 O ATOM 541 ND2 ASN A 35 21.909 -3.936 4.685 1.00 71.01 N ATOM 0 H ASN A 35 20.405 0.355 4.126 1.00 32.42 H new ATOM 0 HA ASN A 35 22.898 -0.767 4.206 1.00 54.32 H new ATOM 0 HB2 ASN A 35 20.158 -1.603 3.510 1.00 72.31 H new ATOM 0 HB3 ASN A 35 21.380 -2.558 2.696 1.00 72.31 H new ATOM 0 HD21 ASN A 35 22.084 -4.516 5.506 1.00 71.01 H new ATOM 0 HD22 ASN A 35 22.102 -4.301 3.752 1.00 71.01 H new ATOM 548 N PRO A 36 21.893 -0.458 1.049 1.00 42.43 N ATOM 549 CA PRO A 36 22.349 -0.367 -0.342 1.00 2.25 C ATOM 550 C PRO A 36 23.082 0.940 -0.627 1.00 70.41 C ATOM 551 O PRO A 36 23.094 1.863 0.187 1.00 44.20 O ATOM 552 CB PRO A 36 21.049 -0.438 -1.147 1.00 2.34 C ATOM 553 CG PRO A 36 19.999 0.062 -0.216 1.00 3.45 C ATOM 554 CD PRO A 36 20.428 -0.367 1.161 1.00 53.45 C ATOM 0 HA PRO A 36 23.063 -1.153 -0.589 1.00 2.25 H new ATOM 0 HB2 PRO A 36 21.106 0.176 -2.046 1.00 2.34 H new ATOM 0 HB3 PRO A 36 20.839 -1.458 -1.470 1.00 2.34 H new ATOM 0 HG2 PRO A 36 19.908 1.147 -0.276 1.00 3.45 H new ATOM 0 HG3 PRO A 36 19.024 -0.354 -0.468 1.00 3.45 H new ATOM 0 HD2 PRO A 36 20.127 0.356 1.919 1.00 53.45 H new ATOM 0 HD3 PRO A 36 19.986 -1.324 1.440 1.00 53.45 H new ATOM 562 N PRO A 37 23.708 1.022 -1.811 1.00 33.44 N ATOM 563 CA PRO A 37 24.454 2.212 -2.231 1.00 34.50 C ATOM 564 C PRO A 37 23.539 3.396 -2.522 1.00 12.31 C ATOM 565 O PRO A 37 23.935 4.551 -2.371 1.00 4.04 O ATOM 566 CB PRO A 37 25.159 1.754 -3.510 1.00 4.20 C ATOM 567 CG PRO A 37 24.311 0.648 -4.036 1.00 4.02 C ATOM 568 CD PRO A 37 23.735 -0.041 -2.830 1.00 13.20 C ATOM 0 HA PRO A 37 25.134 2.563 -1.455 1.00 34.50 H new ATOM 0 HB2 PRO A 37 25.240 2.568 -4.231 1.00 4.20 H new ATOM 0 HB3 PRO A 37 26.172 1.411 -3.302 1.00 4.20 H new ATOM 0 HG2 PRO A 37 23.521 1.034 -4.679 1.00 4.02 H new ATOM 0 HG3 PRO A 37 24.901 -0.044 -4.637 1.00 4.02 H new ATOM 0 HD2 PRO A 37 22.737 -0.432 -3.029 1.00 13.20 H new ATOM 0 HD3 PRO A 37 24.351 -0.883 -2.516 1.00 13.20 H new ATOM 576 N GLY A 38 22.311 3.102 -2.940 1.00 44.01 N ATOM 577 CA GLY A 38 21.359 4.154 -3.245 1.00 45.11 C ATOM 578 C GLY A 38 19.992 3.611 -3.611 1.00 25.10 C ATOM 579 O GLY A 38 19.662 3.485 -4.790 1.00 73.12 O ATOM 0 H GLY A 38 21.959 2.154 -3.073 1.00 44.01 H new ATOM 0 HA2 GLY A 38 21.265 4.816 -2.384 1.00 45.11 H new ATOM 0 HA3 GLY A 38 21.740 4.756 -4.070 1.00 45.11 H new ATOM 583 N PHE A 39 19.196 3.286 -2.598 1.00 11.41 N ATOM 584 CA PHE A 39 17.858 2.751 -2.819 1.00 33.22 C ATOM 585 C PHE A 39 16.908 3.183 -1.706 1.00 1.45 C ATOM 586 O PHE A 39 17.260 3.150 -0.527 1.00 3.01 O ATOM 587 CB PHE A 39 17.904 1.224 -2.901 1.00 33.45 C ATOM 588 CG PHE A 39 18.220 0.706 -4.275 1.00 13.13 C ATOM 589 CD1 PHE A 39 17.327 0.884 -5.319 1.00 14.12 C ATOM 590 CD2 PHE A 39 19.410 0.041 -4.522 1.00 51.01 C ATOM 591 CE1 PHE A 39 17.614 0.409 -6.585 1.00 4.43 C ATOM 592 CE2 PHE A 39 19.703 -0.435 -5.786 1.00 23.42 C ATOM 593 CZ PHE A 39 18.804 -0.252 -6.818 1.00 61.20 C ATOM 0 H PHE A 39 19.454 3.384 -1.616 1.00 11.41 H new ATOM 0 HA PHE A 39 17.487 3.148 -3.764 1.00 33.22 H new ATOM 0 HB2 PHE A 39 18.652 0.853 -2.201 1.00 33.45 H new ATOM 0 HB3 PHE A 39 16.942 0.822 -2.582 1.00 33.45 H new ATOM 0 HD1 PHE A 39 16.395 1.400 -5.142 1.00 14.12 H new ATOM 0 HD2 PHE A 39 20.116 -0.107 -3.718 1.00 51.01 H new ATOM 0 HE1 PHE A 39 16.909 0.554 -7.390 1.00 4.43 H new ATOM 0 HE2 PHE A 39 20.635 -0.950 -5.967 1.00 23.42 H new ATOM 0 HZ PHE A 39 19.031 -0.625 -7.806 1.00 61.20 H new ATOM 603 N ALA A 40 15.702 3.590 -2.089 1.00 64.02 N ATOM 604 CA ALA A 40 14.701 4.028 -1.125 1.00 21.14 C ATOM 605 C ALA A 40 13.313 3.526 -1.508 1.00 41.31 C ATOM 606 O ALA A 40 13.062 3.186 -2.665 1.00 4.44 O ATOM 607 CB ALA A 40 14.704 5.545 -1.013 1.00 51.43 C ATOM 0 H ALA A 40 15.395 3.625 -3.061 1.00 64.02 H new ATOM 0 HA ALA A 40 14.957 3.603 -0.154 1.00 21.14 H new ATOM 0 HB1 ALA A 40 13.951 5.858 -0.289 1.00 51.43 H new ATOM 0 HB2 ALA A 40 15.686 5.884 -0.684 1.00 51.43 H new ATOM 0 HB3 ALA A 40 14.476 5.982 -1.985 1.00 51.43 H new ATOM 613 N PHE A 41 12.414 3.482 -0.530 1.00 62.43 N ATOM 614 CA PHE A 41 11.051 3.019 -0.765 1.00 42.54 C ATOM 615 C PHE A 41 10.037 4.003 -0.190 1.00 34.14 C ATOM 616 O PHE A 41 10.284 4.638 0.836 1.00 55.34 O ATOM 617 CB PHE A 41 10.845 1.636 -0.146 1.00 24.41 C ATOM 618 CG PHE A 41 11.704 0.569 -0.763 1.00 74.34 C ATOM 619 CD1 PHE A 41 13.016 0.394 -0.355 1.00 0.22 C ATOM 620 CD2 PHE A 41 11.198 -0.260 -1.752 1.00 12.11 C ATOM 621 CE1 PHE A 41 13.808 -0.586 -0.922 1.00 30.20 C ATOM 622 CE2 PHE A 41 11.985 -1.242 -2.323 1.00 30.45 C ATOM 623 CZ PHE A 41 13.292 -1.406 -1.906 1.00 75.31 C ATOM 0 H PHE A 41 12.605 3.761 0.432 1.00 62.43 H new ATOM 0 HA PHE A 41 10.897 2.953 -1.842 1.00 42.54 H new ATOM 0 HB2 PHE A 41 11.057 1.689 0.922 1.00 24.41 H new ATOM 0 HB3 PHE A 41 9.798 1.353 -0.249 1.00 24.41 H new ATOM 0 HD1 PHE A 41 13.425 1.031 0.415 1.00 0.22 H new ATOM 0 HD2 PHE A 41 10.176 -0.137 -2.080 1.00 12.11 H new ATOM 0 HE1 PHE A 41 14.830 -0.711 -0.596 1.00 30.20 H new ATOM 0 HE2 PHE A 41 11.579 -1.880 -3.094 1.00 30.45 H new ATOM 0 HZ PHE A 41 13.909 -2.174 -2.349 1.00 75.31 H new ATOM 633 N VAL A 42 8.893 4.123 -0.857 1.00 45.53 N ATOM 634 CA VAL A 42 7.840 5.029 -0.413 1.00 23.40 C ATOM 635 C VAL A 42 6.469 4.370 -0.519 1.00 42.51 C ATOM 636 O VAL A 42 6.235 3.540 -1.396 1.00 63.22 O ATOM 637 CB VAL A 42 7.837 6.332 -1.234 1.00 30.22 C ATOM 638 CG1 VAL A 42 6.755 7.276 -0.733 1.00 33.12 C ATOM 639 CG2 VAL A 42 9.204 6.998 -1.180 1.00 55.05 C ATOM 0 H VAL A 42 8.672 3.604 -1.707 1.00 45.53 H new ATOM 0 HA VAL A 42 8.046 5.268 0.630 1.00 23.40 H new ATOM 0 HB VAL A 42 7.618 6.086 -2.273 1.00 30.22 H new ATOM 0 HG11 VAL A 42 6.768 8.191 -1.325 1.00 33.12 H new ATOM 0 HG12 VAL A 42 5.781 6.796 -0.828 1.00 33.12 H new ATOM 0 HG13 VAL A 42 6.940 7.518 0.314 1.00 33.12 H new ATOM 0 HG21 VAL A 42 9.184 7.917 -1.765 1.00 55.05 H new ATOM 0 HG22 VAL A 42 9.454 7.232 -0.145 1.00 55.05 H new ATOM 0 HG23 VAL A 42 9.954 6.322 -1.591 1.00 55.05 H new ATOM 649 N GLU A 43 5.566 4.748 0.380 1.00 2.53 N ATOM 650 CA GLU A 43 4.218 4.194 0.387 1.00 15.03 C ATOM 651 C GLU A 43 3.181 5.281 0.116 1.00 21.33 C ATOM 652 O GLU A 43 3.118 6.285 0.826 1.00 32.31 O ATOM 653 CB GLU A 43 3.926 3.520 1.730 1.00 64.44 C ATOM 654 CG GLU A 43 4.687 2.221 1.936 1.00 62.43 C ATOM 655 CD GLU A 43 3.790 1.084 2.385 1.00 73.22 C ATOM 656 OE1 GLU A 43 2.844 0.745 1.643 1.00 1.11 O ATOM 657 OE2 GLU A 43 4.034 0.533 3.479 1.00 71.23 O ATOM 0 H GLU A 43 5.744 5.435 1.112 1.00 2.53 H new ATOM 0 HA GLU A 43 4.155 3.450 -0.407 1.00 15.03 H new ATOM 0 HB2 GLU A 43 4.177 4.210 2.536 1.00 64.44 H new ATOM 0 HB3 GLU A 43 2.857 3.321 1.802 1.00 64.44 H new ATOM 0 HG2 GLU A 43 5.182 1.943 1.005 1.00 62.43 H new ATOM 0 HG3 GLU A 43 5.469 2.377 2.679 1.00 62.43 H new ATOM 664 N PHE A 44 2.371 5.073 -0.916 1.00 75.20 N ATOM 665 CA PHE A 44 1.338 6.035 -1.283 1.00 34.42 C ATOM 666 C PHE A 44 -0.040 5.547 -0.844 1.00 11.01 C ATOM 667 O PHE A 44 -0.499 4.488 -1.270 1.00 54.12 O ATOM 668 CB PHE A 44 1.348 6.275 -2.794 1.00 3.11 C ATOM 669 CG PHE A 44 1.819 7.648 -3.179 1.00 2.51 C ATOM 670 CD1 PHE A 44 1.246 8.776 -2.613 1.00 32.20 C ATOM 671 CD2 PHE A 44 2.836 7.812 -4.106 1.00 55.12 C ATOM 672 CE1 PHE A 44 1.677 10.041 -2.966 1.00 73.52 C ATOM 673 CE2 PHE A 44 3.271 9.075 -4.463 1.00 70.51 C ATOM 674 CZ PHE A 44 2.691 10.190 -3.891 1.00 44.14 C ATOM 0 H PHE A 44 2.410 4.247 -1.513 1.00 75.20 H new ATOM 0 HA PHE A 44 1.552 6.973 -0.771 1.00 34.42 H new ATOM 0 HB2 PHE A 44 1.991 5.533 -3.268 1.00 3.11 H new ATOM 0 HB3 PHE A 44 0.342 6.122 -3.185 1.00 3.11 H new ATOM 0 HD1 PHE A 44 0.454 8.665 -1.888 1.00 32.20 H new ATOM 0 HD2 PHE A 44 3.294 6.943 -4.555 1.00 55.12 H new ATOM 0 HE1 PHE A 44 1.221 10.912 -2.519 1.00 73.52 H new ATOM 0 HE2 PHE A 44 4.063 9.189 -5.188 1.00 70.51 H new ATOM 0 HZ PHE A 44 3.030 11.178 -4.167 1.00 44.14 H new ATOM 684 N GLU A 45 -0.693 6.328 0.011 1.00 21.13 N ATOM 685 CA GLU A 45 -2.017 5.975 0.509 1.00 32.22 C ATOM 686 C GLU A 45 -2.994 5.764 -0.644 1.00 43.13 C ATOM 687 O GLU A 45 -3.940 4.984 -0.536 1.00 61.10 O ATOM 688 CB GLU A 45 -2.543 7.066 1.444 1.00 43.42 C ATOM 689 CG GLU A 45 -2.989 8.325 0.719 1.00 4.33 C ATOM 690 CD GLU A 45 -3.217 9.491 1.662 1.00 70.02 C ATOM 691 OE1 GLU A 45 -2.986 9.324 2.878 1.00 74.21 O ATOM 692 OE2 GLU A 45 -3.626 10.570 1.184 1.00 34.42 O ATOM 0 H GLU A 45 -0.327 7.209 0.373 1.00 21.13 H new ATOM 0 HA GLU A 45 -1.930 5.041 1.065 1.00 32.22 H new ATOM 0 HB2 GLU A 45 -3.382 6.669 2.016 1.00 43.42 H new ATOM 0 HB3 GLU A 45 -1.764 7.326 2.160 1.00 43.42 H new ATOM 0 HG2 GLU A 45 -2.236 8.601 -0.019 1.00 4.33 H new ATOM 0 HG3 GLU A 45 -3.910 8.119 0.173 1.00 4.33 H new ATOM 699 N ASP A 46 -2.757 6.466 -1.747 1.00 72.44 N ATOM 700 CA ASP A 46 -3.615 6.356 -2.922 1.00 23.12 C ATOM 701 C ASP A 46 -2.807 5.941 -4.148 1.00 2.34 C ATOM 702 O ASP A 46 -1.638 6.296 -4.300 1.00 41.33 O ATOM 703 CB ASP A 46 -4.323 7.685 -3.188 1.00 72.12 C ATOM 704 CG ASP A 46 -5.833 7.557 -3.136 1.00 60.45 C ATOM 705 OD1 ASP A 46 -6.360 7.175 -2.070 1.00 52.33 O ATOM 706 OD2 ASP A 46 -6.487 7.838 -4.162 1.00 14.32 O ATOM 0 H ASP A 46 -1.979 7.117 -1.852 1.00 72.44 H new ATOM 0 HA ASP A 46 -4.363 5.588 -2.725 1.00 23.12 H new ATOM 0 HB2 ASP A 46 -3.998 8.420 -2.452 1.00 72.12 H new ATOM 0 HB3 ASP A 46 -4.027 8.062 -4.167 1.00 72.12 H new ATOM 711 N PRO A 47 -3.442 5.171 -5.043 1.00 35.43 N ATOM 712 CA PRO A 47 -2.802 4.690 -6.271 1.00 3.45 C ATOM 713 C PRO A 47 -2.550 5.814 -7.270 1.00 64.35 C ATOM 714 O PRO A 47 -1.455 5.932 -7.822 1.00 14.40 O ATOM 715 CB PRO A 47 -3.816 3.692 -6.833 1.00 33.41 C ATOM 716 CG PRO A 47 -5.128 4.135 -6.284 1.00 33.32 C ATOM 717 CD PRO A 47 -4.836 4.709 -4.925 1.00 41.33 C ATOM 0 HA PRO A 47 -1.821 4.256 -6.077 1.00 3.45 H new ATOM 0 HB2 PRO A 47 -3.819 3.702 -7.923 1.00 33.41 H new ATOM 0 HB3 PRO A 47 -3.581 2.673 -6.525 1.00 33.41 H new ATOM 0 HG2 PRO A 47 -5.590 4.880 -6.931 1.00 33.32 H new ATOM 0 HG3 PRO A 47 -5.824 3.299 -6.213 1.00 33.32 H new ATOM 0 HD2 PRO A 47 -5.512 5.529 -4.681 1.00 41.33 H new ATOM 0 HD3 PRO A 47 -4.946 3.961 -4.140 1.00 41.33 H new ATOM 725 N ARG A 48 -3.568 6.636 -7.499 1.00 75.22 N ATOM 726 CA ARG A 48 -3.457 7.749 -8.434 1.00 2.34 C ATOM 727 C ARG A 48 -2.219 8.589 -8.133 1.00 64.13 C ATOM 728 O ARG A 48 -1.493 8.991 -9.043 1.00 72.33 O ATOM 729 CB ARG A 48 -4.709 8.626 -8.367 1.00 62.24 C ATOM 730 CG ARG A 48 -4.807 9.634 -9.501 1.00 74.50 C ATOM 731 CD ARG A 48 -6.250 10.038 -9.763 1.00 63.01 C ATOM 732 NE ARG A 48 -6.942 10.423 -8.536 1.00 3.00 N ATOM 733 CZ ARG A 48 -8.234 10.727 -8.485 1.00 61.44 C ATOM 734 NH1 ARG A 48 -8.971 10.690 -9.587 1.00 64.40 N ATOM 735 NH2 ARG A 48 -8.792 11.068 -7.331 1.00 22.43 N ATOM 0 H ARG A 48 -4.480 6.552 -7.050 1.00 75.22 H new ATOM 0 HA ARG A 48 -3.362 7.339 -9.439 1.00 2.34 H new ATOM 0 HB2 ARG A 48 -5.592 7.987 -8.383 1.00 62.24 H new ATOM 0 HB3 ARG A 48 -4.719 9.159 -7.416 1.00 62.24 H new ATOM 0 HG2 ARG A 48 -4.219 10.518 -9.255 1.00 74.50 H new ATOM 0 HG3 ARG A 48 -4.377 9.207 -10.407 1.00 74.50 H new ATOM 0 HD2 ARG A 48 -6.271 10.870 -10.467 1.00 63.01 H new ATOM 0 HD3 ARG A 48 -6.779 9.209 -10.233 1.00 63.01 H new ATOM 0 HE ARG A 48 -6.404 10.461 -7.671 1.00 3.00 H new ATOM 0 HH11 ARG A 48 -8.546 10.428 -10.476 1.00 64.40 H new ATOM 0 HH12 ARG A 48 -9.963 10.924 -9.545 1.00 64.40 H new ATOM 0 HH21 ARG A 48 -8.229 11.097 -6.481 1.00 22.43 H new ATOM 0 HH22 ARG A 48 -9.784 11.301 -7.294 1.00 22.43 H new ATOM 749 N ASP A 49 -1.984 8.850 -6.852 1.00 41.22 N ATOM 750 CA ASP A 49 -0.833 9.641 -6.431 1.00 54.45 C ATOM 751 C ASP A 49 0.471 8.948 -6.812 1.00 2.32 C ATOM 752 O ASP A 49 1.454 9.602 -7.162 1.00 35.31 O ATOM 753 CB ASP A 49 -0.877 9.881 -4.921 1.00 62.15 C ATOM 754 CG ASP A 49 -2.252 10.302 -4.441 1.00 62.04 C ATOM 755 OD1 ASP A 49 -3.012 10.875 -5.249 1.00 50.02 O ATOM 756 OD2 ASP A 49 -2.567 10.059 -3.257 1.00 53.34 O ATOM 0 H ASP A 49 -2.575 8.525 -6.087 1.00 41.22 H new ATOM 0 HA ASP A 49 -0.876 10.602 -6.944 1.00 54.45 H new ATOM 0 HB2 ASP A 49 -0.578 8.970 -4.403 1.00 62.15 H new ATOM 0 HB3 ASP A 49 -0.152 10.651 -4.657 1.00 62.15 H new ATOM 761 N ALA A 50 0.473 7.621 -6.739 1.00 43.34 N ATOM 762 CA ALA A 50 1.656 6.840 -7.077 1.00 24.42 C ATOM 763 C ALA A 50 1.880 6.806 -8.585 1.00 21.31 C ATOM 764 O ALA A 50 3.009 6.940 -9.057 1.00 34.03 O ATOM 765 CB ALA A 50 1.529 5.426 -6.528 1.00 42.12 C ATOM 0 H ALA A 50 -0.331 7.065 -6.449 1.00 43.34 H new ATOM 0 HA ALA A 50 2.521 7.320 -6.619 1.00 24.42 H new ATOM 0 HB1 ALA A 50 2.419 4.854 -6.788 1.00 42.12 H new ATOM 0 HB2 ALA A 50 1.426 5.465 -5.444 1.00 42.12 H new ATOM 0 HB3 ALA A 50 0.651 4.946 -6.959 1.00 42.12 H new ATOM 771 N GLU A 51 0.798 6.625 -9.335 1.00 72.52 N ATOM 772 CA GLU A 51 0.878 6.571 -10.790 1.00 40.52 C ATOM 773 C GLU A 51 1.428 7.879 -11.353 1.00 23.12 C ATOM 774 O GLU A 51 2.326 7.876 -12.195 1.00 25.52 O ATOM 775 CB GLU A 51 -0.501 6.286 -11.389 1.00 42.02 C ATOM 776 CG GLU A 51 -0.938 4.838 -11.247 1.00 32.11 C ATOM 777 CD GLU A 51 -2.446 4.679 -11.273 1.00 21.42 C ATOM 778 OE1 GLU A 51 -3.059 4.994 -12.314 1.00 64.31 O ATOM 779 OE2 GLU A 51 -3.013 4.238 -10.251 1.00 1.32 O ATOM 0 H GLU A 51 -0.144 6.513 -8.960 1.00 72.52 H new ATOM 0 HA GLU A 51 1.558 5.763 -11.061 1.00 40.52 H new ATOM 0 HB2 GLU A 51 -1.238 6.928 -10.906 1.00 42.02 H new ATOM 0 HB3 GLU A 51 -0.491 6.552 -12.446 1.00 42.02 H new ATOM 0 HG2 GLU A 51 -0.500 4.249 -12.053 1.00 32.11 H new ATOM 0 HG3 GLU A 51 -0.550 4.435 -10.311 1.00 32.11 H new ATOM 786 N ASP A 52 0.882 8.995 -10.882 1.00 24.31 N ATOM 787 CA ASP A 52 1.318 10.310 -11.337 1.00 10.03 C ATOM 788 C ASP A 52 2.730 10.614 -10.846 1.00 41.54 C ATOM 789 O ASP A 52 3.609 10.964 -11.633 1.00 61.15 O ATOM 790 CB ASP A 52 0.351 11.389 -10.847 1.00 31.25 C ATOM 791 CG ASP A 52 -0.770 11.653 -11.832 1.00 72.44 C ATOM 792 OD1 ASP A 52 -0.501 12.265 -12.887 1.00 23.33 O ATOM 793 OD2 ASP A 52 -1.917 11.248 -11.549 1.00 74.32 O ATOM 0 H ASP A 52 0.137 9.015 -10.186 1.00 24.31 H new ATOM 0 HA ASP A 52 1.324 10.307 -12.427 1.00 10.03 H new ATOM 0 HB2 ASP A 52 -0.074 11.084 -9.891 1.00 31.25 H new ATOM 0 HB3 ASP A 52 0.901 12.313 -10.671 1.00 31.25 H new ATOM 798 N ALA A 53 2.939 10.480 -9.541 1.00 5.21 N ATOM 799 CA ALA A 53 4.244 10.740 -8.946 1.00 25.12 C ATOM 800 C ALA A 53 5.335 9.932 -9.640 1.00 62.53 C ATOM 801 O ALA A 53 6.320 10.488 -10.127 1.00 31.24 O ATOM 802 CB ALA A 53 4.218 10.425 -7.457 1.00 60.05 C ATOM 0 H ALA A 53 2.221 10.193 -8.875 1.00 5.21 H new ATOM 0 HA ALA A 53 4.471 11.798 -9.079 1.00 25.12 H new ATOM 0 HB1 ALA A 53 5.199 10.624 -7.026 1.00 60.05 H new ATOM 0 HB2 ALA A 53 3.472 11.050 -6.966 1.00 60.05 H new ATOM 0 HB3 ALA A 53 3.964 9.375 -7.312 1.00 60.05 H new ATOM 808 N VAL A 54 5.154 8.615 -9.683 1.00 13.45 N ATOM 809 CA VAL A 54 6.122 7.730 -10.318 1.00 4.11 C ATOM 810 C VAL A 54 6.335 8.107 -11.780 1.00 20.12 C ATOM 811 O VAL A 54 7.469 8.259 -12.234 1.00 23.04 O ATOM 812 CB VAL A 54 5.675 6.259 -10.238 1.00 74.44 C ATOM 813 CG1 VAL A 54 6.593 5.375 -11.069 1.00 2.13 C ATOM 814 CG2 VAL A 54 5.637 5.791 -8.791 1.00 54.23 C ATOM 0 H VAL A 54 4.345 8.138 -9.285 1.00 13.45 H new ATOM 0 HA VAL A 54 7.060 7.846 -9.776 1.00 4.11 H new ATOM 0 HB VAL A 54 4.668 6.182 -10.647 1.00 74.44 H new ATOM 0 HG11 VAL A 54 6.261 4.339 -11.000 1.00 2.13 H new ATOM 0 HG12 VAL A 54 6.564 5.697 -12.110 1.00 2.13 H new ATOM 0 HG13 VAL A 54 7.613 5.455 -10.693 1.00 2.13 H new ATOM 0 HG21 VAL A 54 5.319 4.749 -8.754 1.00 54.23 H new ATOM 0 HG22 VAL A 54 6.631 5.883 -8.353 1.00 54.23 H new ATOM 0 HG23 VAL A 54 4.934 6.405 -8.228 1.00 54.23 H new ATOM 824 N ARG A 55 5.236 8.257 -12.512 1.00 63.33 N ATOM 825 CA ARG A 55 5.302 8.615 -13.924 1.00 2.31 C ATOM 826 C ARG A 55 6.134 9.879 -14.126 1.00 31.43 C ATOM 827 O ARG A 55 6.856 10.007 -15.113 1.00 44.31 O ATOM 828 CB ARG A 55 3.894 8.824 -14.485 1.00 64.43 C ATOM 829 CG ARG A 55 3.217 7.536 -14.925 1.00 64.31 C ATOM 830 CD ARG A 55 1.735 7.747 -15.187 1.00 54.34 C ATOM 831 NE ARG A 55 1.181 6.718 -16.063 1.00 21.43 N ATOM 832 CZ ARG A 55 1.421 6.656 -17.368 1.00 31.22 C ATOM 833 NH1 ARG A 55 2.200 7.559 -17.945 1.00 45.45 N ATOM 834 NH2 ARG A 55 0.881 5.688 -18.098 1.00 12.23 N ATOM 0 H ARG A 55 4.290 8.136 -12.151 1.00 63.33 H new ATOM 0 HA ARG A 55 5.781 7.795 -14.459 1.00 2.31 H new ATOM 0 HB2 ARG A 55 3.278 9.308 -13.727 1.00 64.43 H new ATOM 0 HB3 ARG A 55 3.948 9.505 -15.334 1.00 64.43 H new ATOM 0 HG2 ARG A 55 3.698 7.162 -15.829 1.00 64.31 H new ATOM 0 HG3 ARG A 55 3.347 6.774 -14.156 1.00 64.31 H new ATOM 0 HD2 ARG A 55 1.196 7.745 -14.240 1.00 54.34 H new ATOM 0 HD3 ARG A 55 1.583 8.727 -15.638 1.00 54.34 H new ATOM 0 HE ARG A 55 0.576 6.008 -15.650 1.00 21.43 H new ATOM 0 HH11 ARG A 55 2.617 8.304 -17.387 1.00 45.45 H new ATOM 0 HH12 ARG A 55 2.383 7.509 -18.947 1.00 45.45 H new ATOM 0 HH21 ARG A 55 0.281 4.991 -17.657 1.00 12.23 H new ATOM 0 HH22 ARG A 55 1.066 5.641 -19.100 1.00 12.23 H new ATOM 848 N GLY A 56 6.026 10.809 -13.182 1.00 54.43 N ATOM 849 CA GLY A 56 6.772 12.050 -13.275 1.00 43.34 C ATOM 850 C GLY A 56 8.225 11.884 -12.877 1.00 2.03 C ATOM 851 O GLY A 56 9.126 12.053 -13.700 1.00 0.33 O ATOM 0 H GLY A 56 5.435 10.725 -12.355 1.00 54.43 H new ATOM 0 HA2 GLY A 56 6.719 12.426 -14.297 1.00 43.34 H new ATOM 0 HA3 GLY A 56 6.306 12.799 -12.635 1.00 43.34 H new ATOM 855 N LEU A 57 8.455 11.553 -11.611 1.00 5.31 N ATOM 856 CA LEU A 57 9.810 11.366 -11.103 1.00 62.45 C ATOM 857 C LEU A 57 10.605 10.429 -12.007 1.00 64.23 C ATOM 858 O LEU A 57 11.775 10.677 -12.300 1.00 1.10 O ATOM 859 CB LEU A 57 9.770 10.807 -9.680 1.00 31.10 C ATOM 860 CG LEU A 57 9.580 11.832 -8.562 1.00 15.33 C ATOM 861 CD1 LEU A 57 8.272 12.587 -8.746 1.00 43.04 C ATOM 862 CD2 LEU A 57 9.617 11.151 -7.202 1.00 34.05 C ATOM 0 H LEU A 57 7.721 11.409 -10.918 1.00 5.31 H new ATOM 0 HA LEU A 57 10.305 12.337 -11.091 1.00 62.45 H new ATOM 0 HB2 LEU A 57 8.961 10.079 -9.620 1.00 31.10 H new ATOM 0 HB3 LEU A 57 10.699 10.267 -9.497 1.00 31.10 H new ATOM 0 HG LEU A 57 10.400 12.549 -8.610 1.00 15.33 H new ATOM 0 HD11 LEU A 57 8.154 13.312 -7.941 1.00 43.04 H new ATOM 0 HD12 LEU A 57 8.284 13.107 -9.704 1.00 43.04 H new ATOM 0 HD13 LEU A 57 7.440 11.883 -8.725 1.00 43.04 H new ATOM 0 HD21 LEU A 57 9.480 11.896 -6.418 1.00 34.05 H new ATOM 0 HD22 LEU A 57 8.818 10.412 -7.143 1.00 34.05 H new ATOM 0 HD23 LEU A 57 10.579 10.657 -7.069 1.00 34.05 H new ATOM 874 N ASP A 58 9.962 9.353 -12.448 1.00 2.13 N ATOM 875 CA ASP A 58 10.608 8.380 -13.321 1.00 41.43 C ATOM 876 C ASP A 58 10.633 8.877 -14.763 1.00 51.54 C ATOM 877 O ASP A 58 11.612 8.680 -15.482 1.00 73.10 O ATOM 878 CB ASP A 58 9.885 7.035 -13.245 1.00 33.01 C ATOM 879 CG ASP A 58 10.668 5.918 -13.906 1.00 2.01 C ATOM 880 OD1 ASP A 58 11.893 5.834 -13.675 1.00 12.35 O ATOM 881 OD2 ASP A 58 10.057 5.127 -14.654 1.00 13.11 O ATOM 0 H ASP A 58 8.994 9.133 -12.215 1.00 2.13 H new ATOM 0 HA ASP A 58 11.636 8.250 -12.982 1.00 41.43 H new ATOM 0 HB2 ASP A 58 9.706 6.780 -12.200 1.00 33.01 H new ATOM 0 HB3 ASP A 58 8.909 7.123 -13.723 1.00 33.01 H new ATOM 886 N GLY A 59 9.548 9.523 -15.180 1.00 51.24 N ATOM 887 CA GLY A 59 9.465 10.037 -16.535 1.00 44.21 C ATOM 888 C GLY A 59 10.660 10.894 -16.904 1.00 65.50 C ATOM 889 O GLY A 59 11.292 10.679 -17.939 1.00 23.13 O ATOM 0 H GLY A 59 8.725 9.700 -14.604 1.00 51.24 H new ATOM 0 HA2 GLY A 59 9.391 9.203 -17.233 1.00 44.21 H new ATOM 0 HA3 GLY A 59 8.553 10.625 -16.642 1.00 44.21 H new ATOM 893 N LYS A 60 10.972 11.869 -16.057 1.00 34.21 N ATOM 894 CA LYS A 60 12.099 12.762 -16.298 1.00 75.02 C ATOM 895 C LYS A 60 12.880 13.012 -15.012 1.00 70.43 C ATOM 896 O LYS A 60 12.824 12.215 -14.075 1.00 54.22 O ATOM 897 CB LYS A 60 11.608 14.092 -16.875 1.00 75.54 C ATOM 898 CG LYS A 60 12.466 14.614 -18.014 1.00 1.40 C ATOM 899 CD LYS A 60 12.882 16.057 -17.782 1.00 13.42 C ATOM 900 CE LYS A 60 12.891 16.851 -19.080 1.00 33.44 C ATOM 901 NZ LYS A 60 11.558 17.447 -19.375 1.00 23.35 N ATOM 0 H LYS A 60 10.459 12.061 -15.196 1.00 34.21 H new ATOM 0 HA LYS A 60 12.762 12.283 -17.018 1.00 75.02 H new ATOM 0 HB2 LYS A 60 10.584 13.969 -17.229 1.00 75.54 H new ATOM 0 HB3 LYS A 60 11.583 14.837 -16.079 1.00 75.54 H new ATOM 0 HG2 LYS A 60 13.354 13.990 -18.117 1.00 1.40 H new ATOM 0 HG3 LYS A 60 11.914 14.540 -18.951 1.00 1.40 H new ATOM 0 HD2 LYS A 60 12.198 16.524 -17.073 1.00 13.42 H new ATOM 0 HD3 LYS A 60 13.874 16.083 -17.332 1.00 13.42 H new ATOM 0 HE2 LYS A 60 13.637 17.643 -19.016 1.00 33.44 H new ATOM 0 HE3 LYS A 60 13.188 16.200 -19.902 1.00 33.44 H new ATOM 0 HZ1 LYS A 60 11.606 17.980 -20.267 1.00 23.35 H new ATOM 0 HZ2 LYS A 60 10.851 16.690 -19.461 1.00 23.35 H new ATOM 0 HZ3 LYS A 60 11.286 18.088 -18.603 1.00 23.35 H new ATOM 915 N VAL A 61 13.608 14.123 -14.974 1.00 10.13 N ATOM 916 CA VAL A 61 14.399 14.479 -13.802 1.00 33.14 C ATOM 917 C VAL A 61 13.646 15.458 -12.908 1.00 2.14 C ATOM 918 O VAL A 61 12.935 16.338 -13.394 1.00 60.32 O ATOM 919 CB VAL A 61 15.749 15.101 -14.203 1.00 42.23 C ATOM 920 CG1 VAL A 61 16.478 14.204 -15.192 1.00 32.20 C ATOM 921 CG2 VAL A 61 15.543 16.492 -14.785 1.00 34.32 C ATOM 0 H VAL A 61 13.667 14.792 -15.741 1.00 10.13 H new ATOM 0 HA VAL A 61 14.583 13.556 -13.252 1.00 33.14 H new ATOM 0 HB VAL A 61 16.366 15.193 -13.309 1.00 42.23 H new ATOM 0 HG11 VAL A 61 17.430 14.660 -15.464 1.00 32.20 H new ATOM 0 HG12 VAL A 61 16.659 13.231 -14.736 1.00 32.20 H new ATOM 0 HG13 VAL A 61 15.868 14.077 -16.086 1.00 32.20 H new ATOM 0 HG21 VAL A 61 16.508 16.917 -15.063 1.00 34.32 H new ATOM 0 HG22 VAL A 61 14.907 16.426 -15.668 1.00 34.32 H new ATOM 0 HG23 VAL A 61 15.066 17.131 -14.041 1.00 34.32 H new ATOM 931 N ILE A 62 13.808 15.300 -11.598 1.00 62.34 N ATOM 932 CA ILE A 62 13.145 16.171 -10.636 1.00 43.22 C ATOM 933 C ILE A 62 14.113 17.207 -10.074 1.00 65.42 C ATOM 934 O ILE A 62 14.837 16.938 -9.114 1.00 14.41 O ATOM 935 CB ILE A 62 12.539 15.366 -9.471 1.00 65.05 C ATOM 936 CG1 ILE A 62 12.021 16.310 -8.385 1.00 42.50 C ATOM 937 CG2 ILE A 62 13.571 14.406 -8.898 1.00 61.13 C ATOM 938 CD1 ILE A 62 11.016 17.321 -8.892 1.00 44.20 C ATOM 0 H ILE A 62 14.393 14.577 -11.179 1.00 62.34 H new ATOM 0 HA ILE A 62 12.343 16.679 -11.171 1.00 43.22 H new ATOM 0 HB ILE A 62 11.699 14.783 -9.849 1.00 65.05 H new ATOM 0 HG12 ILE A 62 11.562 15.721 -7.591 1.00 42.50 H new ATOM 0 HG13 ILE A 62 12.865 16.839 -7.942 1.00 42.50 H new ATOM 0 HG21 ILE A 62 13.128 13.844 -8.076 1.00 61.13 H new ATOM 0 HG22 ILE A 62 13.897 13.715 -9.676 1.00 61.13 H new ATOM 0 HG23 ILE A 62 14.429 14.970 -8.532 1.00 61.13 H new ATOM 0 HD11 ILE A 62 10.692 17.957 -8.068 1.00 44.20 H new ATOM 0 HD12 ILE A 62 11.477 17.936 -9.665 1.00 44.20 H new ATOM 0 HD13 ILE A 62 10.154 16.800 -9.309 1.00 44.20 H new ATOM 950 N CYS A 63 14.121 18.390 -10.677 1.00 53.13 N ATOM 951 CA CYS A 63 15.000 19.468 -10.236 1.00 75.44 C ATOM 952 C CYS A 63 16.464 19.081 -10.413 1.00 24.14 C ATOM 953 O CYS A 63 17.322 19.482 -9.627 1.00 52.40 O ATOM 954 CB CYS A 63 14.723 19.812 -8.772 1.00 40.43 C ATOM 955 SG CYS A 63 14.781 21.582 -8.407 1.00 43.31 S ATOM 0 H CYS A 63 13.529 18.628 -11.473 1.00 53.13 H new ATOM 0 HA CYS A 63 14.798 20.345 -10.852 1.00 75.44 H new ATOM 0 HB2 CYS A 63 13.740 19.427 -8.499 1.00 40.43 H new ATOM 0 HB3 CYS A 63 15.452 19.298 -8.145 1.00 40.43 H new ATOM 0 HG CYS A 63 14.532 21.773 -7.145 1.00 43.31 H new ATOM 961 N GLY A 64 16.744 18.297 -11.449 1.00 74.53 N ATOM 962 CA GLY A 64 18.105 17.867 -11.709 1.00 23.11 C ATOM 963 C GLY A 64 18.435 16.548 -11.038 1.00 1.42 C ATOM 964 O GLY A 64 19.603 16.238 -10.804 1.00 41.21 O ATOM 0 H GLY A 64 16.052 17.952 -12.114 1.00 74.53 H new ATOM 0 HA2 GLY A 64 18.253 17.771 -12.785 1.00 23.11 H new ATOM 0 HA3 GLY A 64 18.798 18.632 -11.359 1.00 23.11 H new ATOM 968 N SER A 65 17.403 15.771 -10.725 1.00 64.34 N ATOM 969 CA SER A 65 17.589 14.481 -10.072 1.00 30.53 C ATOM 970 C SER A 65 16.876 13.373 -10.843 1.00 3.54 C ATOM 971 O SER A 65 15.690 13.119 -10.631 1.00 44.33 O ATOM 972 CB SER A 65 17.068 14.534 -8.634 1.00 72.53 C ATOM 973 OG SER A 65 16.584 13.267 -8.220 1.00 45.51 O ATOM 0 H SER A 65 16.430 16.012 -10.913 1.00 64.34 H new ATOM 0 HA SER A 65 18.656 14.260 -10.057 1.00 30.53 H new ATOM 0 HB2 SER A 65 17.866 14.858 -7.966 1.00 72.53 H new ATOM 0 HB3 SER A 65 16.271 15.273 -8.560 1.00 72.53 H new ATOM 0 HG SER A 65 15.845 12.993 -8.803 1.00 45.51 H new ATOM 979 N ARG A 66 17.609 12.718 -11.737 1.00 53.34 N ATOM 980 CA ARG A 66 17.048 11.639 -12.541 1.00 54.34 C ATOM 981 C ARG A 66 17.042 10.327 -11.762 1.00 40.24 C ATOM 982 O ARG A 66 17.592 9.322 -12.214 1.00 54.52 O ATOM 983 CB ARG A 66 17.844 11.472 -13.837 1.00 2.43 C ATOM 984 CG ARG A 66 17.053 10.821 -14.959 1.00 14.01 C ATOM 985 CD ARG A 66 17.464 11.364 -16.319 1.00 32.14 C ATOM 986 NE ARG A 66 17.981 10.315 -17.193 1.00 75.23 N ATOM 987 CZ ARG A 66 18.428 10.538 -18.424 1.00 2.32 C ATOM 988 NH1 ARG A 66 18.423 11.767 -18.922 1.00 11.02 N ATOM 989 NH2 ARG A 66 18.883 9.531 -19.159 1.00 1.43 N ATOM 0 H ARG A 66 18.592 12.915 -11.923 1.00 53.34 H new ATOM 0 HA ARG A 66 16.019 11.900 -12.787 1.00 54.34 H new ATOM 0 HB2 ARG A 66 18.191 12.451 -14.169 1.00 2.43 H new ATOM 0 HB3 ARG A 66 18.731 10.872 -13.634 1.00 2.43 H new ATOM 0 HG2 ARG A 66 17.207 9.742 -14.935 1.00 14.01 H new ATOM 0 HG3 ARG A 66 15.988 10.995 -14.803 1.00 14.01 H new ATOM 0 HD2 ARG A 66 16.606 11.841 -16.793 1.00 32.14 H new ATOM 0 HD3 ARG A 66 18.224 12.134 -16.187 1.00 32.14 H new ATOM 0 HE ARG A 66 18.000 9.359 -16.839 1.00 75.23 H new ATOM 0 HH11 ARG A 66 18.075 12.544 -18.360 1.00 11.02 H new ATOM 0 HH12 ARG A 66 18.767 11.936 -19.867 1.00 11.02 H new ATOM 0 HH21 ARG A 66 18.890 8.584 -18.779 1.00 1.43 H new ATOM 0 HH22 ARG A 66 19.226 9.704 -20.104 1.00 1.43 H new ATOM 1003 N VAL A 67 16.418 10.344 -10.589 1.00 55.21 N ATOM 1004 CA VAL A 67 16.340 9.156 -9.747 1.00 53.33 C ATOM 1005 C VAL A 67 15.564 8.042 -10.440 1.00 33.31 C ATOM 1006 O VAL A 67 15.014 8.235 -11.524 1.00 51.53 O ATOM 1007 CB VAL A 67 15.671 9.469 -8.396 1.00 11.25 C ATOM 1008 CG1 VAL A 67 16.603 10.287 -7.515 1.00 41.41 C ATOM 1009 CG2 VAL A 67 14.352 10.196 -8.610 1.00 11.12 C ATOM 0 H VAL A 67 15.959 11.168 -10.200 1.00 55.21 H new ATOM 0 HA VAL A 67 17.363 8.826 -9.569 1.00 53.33 H new ATOM 0 HB VAL A 67 15.462 8.528 -7.887 1.00 11.25 H new ATOM 0 HG11 VAL A 67 16.113 10.498 -6.565 1.00 41.41 H new ATOM 0 HG12 VAL A 67 17.519 9.725 -7.334 1.00 41.41 H new ATOM 0 HG13 VAL A 67 16.846 11.225 -8.015 1.00 41.41 H new ATOM 0 HG21 VAL A 67 13.893 10.409 -7.645 1.00 11.12 H new ATOM 0 HG22 VAL A 67 14.534 11.131 -9.140 1.00 11.12 H new ATOM 0 HG23 VAL A 67 13.683 9.569 -9.199 1.00 11.12 H new ATOM 1019 N ARG A 68 15.523 6.874 -9.806 1.00 12.40 N ATOM 1020 CA ARG A 68 14.814 5.728 -10.362 1.00 23.34 C ATOM 1021 C ARG A 68 13.549 5.431 -9.563 1.00 15.43 C ATOM 1022 O ARG A 68 13.611 4.890 -8.459 1.00 11.34 O ATOM 1023 CB ARG A 68 15.723 4.497 -10.373 1.00 73.23 C ATOM 1024 CG ARG A 68 15.244 3.396 -11.306 1.00 24.25 C ATOM 1025 CD ARG A 68 15.657 3.666 -12.744 1.00 70.41 C ATOM 1026 NE ARG A 68 14.549 3.477 -13.676 1.00 75.50 N ATOM 1027 CZ ARG A 68 14.573 3.885 -14.940 1.00 22.22 C ATOM 1028 NH1 ARG A 68 15.644 4.501 -15.420 1.00 43.40 N ATOM 1029 NH2 ARG A 68 13.525 3.676 -15.726 1.00 41.23 N ATOM 0 H ARG A 68 15.972 6.697 -8.908 1.00 12.40 H new ATOM 0 HA ARG A 68 14.528 5.971 -11.385 1.00 23.34 H new ATOM 0 HB2 ARG A 68 16.728 4.800 -10.668 1.00 73.23 H new ATOM 0 HB3 ARG A 68 15.794 4.099 -9.361 1.00 73.23 H new ATOM 0 HG2 ARG A 68 15.654 2.439 -10.982 1.00 24.25 H new ATOM 0 HG3 ARG A 68 14.159 3.314 -11.247 1.00 24.25 H new ATOM 0 HD2 ARG A 68 16.032 4.686 -12.828 1.00 70.41 H new ATOM 0 HD3 ARG A 68 16.477 3.002 -13.016 1.00 70.41 H new ATOM 0 HE ARG A 68 13.710 3.006 -13.338 1.00 75.50 H new ATOM 0 HH11 ARG A 68 16.452 4.663 -14.819 1.00 43.40 H new ATOM 0 HH12 ARG A 68 15.660 4.813 -16.391 1.00 43.40 H new ATOM 0 HH21 ARG A 68 12.700 3.202 -15.360 1.00 41.23 H new ATOM 0 HH22 ARG A 68 13.545 3.990 -16.696 1.00 41.23 H new ATOM 1043 N VAL A 69 12.400 5.790 -10.128 1.00 43.42 N ATOM 1044 CA VAL A 69 11.120 5.563 -9.470 1.00 34.24 C ATOM 1045 C VAL A 69 10.275 4.557 -10.243 1.00 72.23 C ATOM 1046 O VAL A 69 10.211 4.600 -11.471 1.00 52.43 O ATOM 1047 CB VAL A 69 10.326 6.874 -9.318 1.00 32.14 C ATOM 1048 CG1 VAL A 69 9.021 6.626 -8.576 1.00 24.43 C ATOM 1049 CG2 VAL A 69 11.164 7.924 -8.603 1.00 74.41 C ATOM 0 H VAL A 69 12.330 6.240 -11.041 1.00 43.42 H new ATOM 0 HA VAL A 69 11.340 5.164 -8.480 1.00 34.24 H new ATOM 0 HB VAL A 69 10.085 7.249 -10.312 1.00 32.14 H new ATOM 0 HG11 VAL A 69 8.474 7.564 -8.478 1.00 24.43 H new ATOM 0 HG12 VAL A 69 8.417 5.910 -9.132 1.00 24.43 H new ATOM 0 HG13 VAL A 69 9.236 6.227 -7.585 1.00 24.43 H new ATOM 0 HG21 VAL A 69 10.588 8.844 -8.504 1.00 74.41 H new ATOM 0 HG22 VAL A 69 11.438 7.559 -7.613 1.00 74.41 H new ATOM 0 HG23 VAL A 69 12.068 8.122 -9.179 1.00 74.41 H new ATOM 1059 N GLU A 70 9.628 3.652 -9.516 1.00 32.25 N ATOM 1060 CA GLU A 70 8.787 2.634 -10.135 1.00 14.33 C ATOM 1061 C GLU A 70 7.900 1.955 -9.095 1.00 55.41 C ATOM 1062 O GLU A 70 8.119 2.091 -7.891 1.00 4.13 O ATOM 1063 CB GLU A 70 9.650 1.590 -10.844 1.00 64.45 C ATOM 1064 CG GLU A 70 9.316 1.423 -12.317 1.00 64.34 C ATOM 1065 CD GLU A 70 10.262 0.472 -13.026 1.00 12.12 C ATOM 1066 OE1 GLU A 70 11.155 -0.086 -12.356 1.00 23.13 O ATOM 1067 OE2 GLU A 70 10.107 0.287 -14.251 1.00 63.52 O ATOM 0 H GLU A 70 9.670 3.603 -8.498 1.00 32.25 H new ATOM 0 HA GLU A 70 8.147 3.125 -10.868 1.00 14.33 H new ATOM 0 HB2 GLU A 70 10.699 1.871 -10.748 1.00 64.45 H new ATOM 0 HB3 GLU A 70 9.530 0.630 -10.342 1.00 64.45 H new ATOM 0 HG2 GLU A 70 8.295 1.054 -12.415 1.00 64.34 H new ATOM 0 HG3 GLU A 70 9.351 2.396 -12.806 1.00 64.34 H new ATOM 1074 N LEU A 71 6.896 1.225 -9.569 1.00 1.02 N ATOM 1075 CA LEU A 71 5.974 0.524 -8.681 1.00 42.54 C ATOM 1076 C LEU A 71 6.218 -0.981 -8.722 1.00 14.35 C ATOM 1077 O LEU A 71 5.973 -1.632 -9.737 1.00 25.20 O ATOM 1078 CB LEU A 71 4.527 0.829 -9.073 1.00 43.33 C ATOM 1079 CG LEU A 71 4.172 2.308 -9.230 1.00 53.14 C ATOM 1080 CD1 LEU A 71 2.867 2.465 -9.996 1.00 44.15 C ATOM 1081 CD2 LEU A 71 4.077 2.981 -7.869 1.00 1.41 C ATOM 0 H LEU A 71 6.700 1.103 -10.562 1.00 1.02 H new ATOM 0 HA LEU A 71 6.150 0.874 -7.664 1.00 42.54 H new ATOM 0 HB2 LEU A 71 4.312 0.322 -10.014 1.00 43.33 H new ATOM 0 HB3 LEU A 71 3.869 0.396 -8.320 1.00 43.33 H new ATOM 0 HG LEU A 71 4.965 2.794 -9.799 1.00 53.14 H new ATOM 0 HD11 LEU A 71 2.630 3.524 -10.098 1.00 44.15 H new ATOM 0 HD12 LEU A 71 2.970 2.019 -10.985 1.00 44.15 H new ATOM 0 HD13 LEU A 71 2.065 1.964 -9.454 1.00 44.15 H new ATOM 0 HD21 LEU A 71 3.824 4.033 -8.000 1.00 1.41 H new ATOM 0 HD22 LEU A 71 3.304 2.493 -7.275 1.00 1.41 H new ATOM 0 HD23 LEU A 71 5.035 2.900 -7.355 1.00 1.41 H new ATOM 1093 N SER A 72 6.698 -1.527 -7.609 1.00 63.22 N ATOM 1094 CA SER A 72 6.976 -2.956 -7.518 1.00 2.33 C ATOM 1095 C SER A 72 5.681 -3.755 -7.408 1.00 23.11 C ATOM 1096 O SER A 72 5.627 -4.928 -7.781 1.00 4.50 O ATOM 1097 CB SER A 72 7.872 -3.246 -6.312 1.00 31.31 C ATOM 1098 OG SER A 72 7.967 -2.116 -5.463 1.00 14.33 O ATOM 0 H SER A 72 6.902 -1.002 -6.759 1.00 63.22 H new ATOM 0 HA SER A 72 7.494 -3.260 -8.428 1.00 2.33 H new ATOM 0 HB2 SER A 72 7.472 -4.092 -5.753 1.00 31.31 H new ATOM 0 HB3 SER A 72 8.867 -3.532 -6.654 1.00 31.31 H new ATOM 0 HG SER A 72 8.544 -2.328 -4.699 1.00 14.33 H new