USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -84:sc= 0.688 USER MOD Single : A 12 ASN : amide:sc= 0.273 K(o=0.27,f=-7.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.572 K(o=-0.57,f=-3.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.23) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.00284 K(o=-0.0028,f=-0.62) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0581 (180deg=-0.298) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 7.976 -3.904 3.342 1.00 62.42 N ATOM 21 CA ILE A 2 6.916 -3.749 2.359 1.00 3.03 C ATOM 22 C ILE A 2 7.398 -4.232 0.993 1.00 73.21 C ATOM 23 O ILE A 2 8.563 -4.052 0.639 1.00 41.23 O ATOM 24 CB ILE A 2 6.460 -2.275 2.258 1.00 74.23 C ATOM 25 CG1 ILE A 2 6.037 -1.757 3.636 1.00 14.01 C ATOM 26 CG2 ILE A 2 5.316 -2.134 1.264 1.00 62.23 C ATOM 27 CD1 ILE A 2 5.676 -0.286 3.657 1.00 60.21 C ATOM 0 HA ILE A 2 6.066 -4.350 2.681 1.00 3.03 H new ATOM 0 HB ILE A 2 7.299 -1.677 1.901 1.00 74.23 H new ATOM 0 HG12 ILE A 2 5.181 -2.336 3.983 1.00 14.01 H new ATOM 0 HG13 ILE A 2 6.848 -1.932 4.343 1.00 14.01 H new ATOM 0 HG21 ILE A 2 5.010 -1.089 1.208 1.00 62.23 H new ATOM 0 HG22 ILE A 2 5.645 -2.469 0.280 1.00 62.23 H new ATOM 0 HG23 ILE A 2 4.473 -2.742 1.591 1.00 62.23 H new ATOM 0 HD11 ILE A 2 5.388 0.003 4.668 1.00 60.21 H new ATOM 0 HD12 ILE A 2 6.536 0.304 3.342 1.00 60.21 H new ATOM 0 HD13 ILE A 2 4.844 -0.106 2.977 1.00 60.21 H new ATOM 39 N PHE A 3 6.504 -4.845 0.234 1.00 14.44 N ATOM 40 CA PHE A 3 6.861 -5.402 -1.064 1.00 21.32 C ATOM 41 C PHE A 3 6.083 -4.716 -2.182 1.00 50.30 C ATOM 42 O PHE A 3 4.906 -4.392 -2.019 1.00 31.22 O ATOM 43 CB PHE A 3 6.577 -6.907 -1.096 1.00 2.25 C ATOM 44 CG PHE A 3 7.353 -7.698 -0.081 1.00 33.13 C ATOM 45 CD1 PHE A 3 8.679 -8.030 -0.309 1.00 64.35 C ATOM 46 CD2 PHE A 3 6.757 -8.111 1.099 1.00 4.42 C ATOM 47 CE1 PHE A 3 9.394 -8.760 0.618 1.00 60.12 C ATOM 48 CE2 PHE A 3 7.467 -8.841 2.031 1.00 44.34 C ATOM 49 CZ PHE A 3 8.789 -9.166 1.792 1.00 52.41 C ATOM 0 H PHE A 3 5.525 -4.970 0.493 1.00 14.44 H new ATOM 0 HA PHE A 3 7.926 -5.232 -1.219 1.00 21.32 H new ATOM 0 HB2 PHE A 3 5.512 -7.069 -0.930 1.00 2.25 H new ATOM 0 HB3 PHE A 3 6.806 -7.288 -2.091 1.00 2.25 H new ATOM 0 HD1 PHE A 3 9.159 -7.713 -1.223 1.00 64.35 H new ATOM 0 HD2 PHE A 3 5.725 -7.859 1.292 1.00 4.42 H new ATOM 0 HE1 PHE A 3 10.426 -9.014 0.426 1.00 60.12 H new ATOM 0 HE2 PHE A 3 6.990 -9.158 2.946 1.00 44.34 H new ATOM 0 HZ PHE A 3 9.347 -9.735 2.520 1.00 52.41 H new ATOM 59 N PRO A 4 6.735 -4.470 -3.330 1.00 51.40 N ATOM 60 CA PRO A 4 6.062 -3.945 -4.520 1.00 31.32 C ATOM 61 C PRO A 4 5.007 -4.921 -5.025 1.00 4.01 C ATOM 62 O PRO A 4 5.234 -6.135 -5.051 1.00 1.53 O ATOM 63 CB PRO A 4 7.190 -3.792 -5.550 1.00 24.34 C ATOM 64 CG PRO A 4 8.450 -3.802 -4.751 1.00 11.12 C ATOM 65 CD PRO A 4 8.173 -4.676 -3.561 1.00 13.14 C ATOM 0 HA PRO A 4 5.540 -3.009 -4.322 1.00 31.32 H new ATOM 0 HB2 PRO A 4 7.176 -4.607 -6.274 1.00 24.34 H new ATOM 0 HB3 PRO A 4 7.087 -2.864 -6.112 1.00 24.34 H new ATOM 0 HG2 PRO A 4 9.282 -4.192 -5.337 1.00 11.12 H new ATOM 0 HG3 PRO A 4 8.724 -2.794 -4.440 1.00 11.12 H new ATOM 0 HD2 PRO A 4 8.404 -5.722 -3.765 1.00 13.14 H new ATOM 0 HD3 PRO A 4 8.767 -4.381 -2.696 1.00 13.14 H new ATOM 73 N GLY A 5 3.849 -4.396 -5.399 1.00 55.22 N ATOM 74 CA GLY A 5 2.760 -5.240 -5.851 1.00 33.10 C ATOM 75 C GLY A 5 1.778 -5.545 -4.738 1.00 54.05 C ATOM 76 O GLY A 5 0.684 -6.058 -4.980 1.00 30.42 O ATOM 0 H GLY A 5 3.643 -3.397 -5.398 1.00 55.22 H new ATOM 0 HA2 GLY A 5 2.237 -4.748 -6.671 1.00 33.10 H new ATOM 0 HA3 GLY A 5 3.164 -6.173 -6.244 1.00 33.10 H new ATOM 80 N ALA A 6 2.169 -5.225 -3.514 1.00 22.34 N ATOM 81 CA ALA A 6 1.312 -5.443 -2.361 1.00 25.20 C ATOM 82 C ALA A 6 0.493 -4.197 -2.056 1.00 11.40 C ATOM 83 O ALA A 6 0.774 -3.113 -2.572 1.00 72.34 O ATOM 84 CB ALA A 6 2.139 -5.847 -1.151 1.00 21.42 C ATOM 0 H ALA A 6 3.076 -4.813 -3.294 1.00 22.34 H new ATOM 0 HA ALA A 6 0.624 -6.255 -2.595 1.00 25.20 H new ATOM 0 HB1 ALA A 6 1.481 -6.006 -0.297 1.00 21.42 H new ATOM 0 HB2 ALA A 6 2.678 -6.769 -1.370 1.00 21.42 H new ATOM 0 HB3 ALA A 6 2.852 -5.056 -0.917 1.00 21.42 H new ATOM 90 N THR A 7 -0.523 -4.358 -1.227 1.00 54.34 N ATOM 91 CA THR A 7 -1.379 -3.250 -0.848 1.00 63.11 C ATOM 92 C THR A 7 -0.875 -2.612 0.448 1.00 14.23 C ATOM 93 O THR A 7 -0.453 -3.313 1.372 1.00 12.02 O ATOM 94 CB THR A 7 -2.834 -3.724 -0.664 1.00 74.40 C ATOM 95 OG1 THR A 7 -3.242 -4.498 -1.805 1.00 24.22 O ATOM 96 CG2 THR A 7 -3.784 -2.547 -0.480 1.00 33.01 C ATOM 0 H THR A 7 -0.776 -5.250 -0.802 1.00 54.34 H new ATOM 0 HA THR A 7 -1.351 -2.509 -1.647 1.00 63.11 H new ATOM 0 HB THR A 7 -2.876 -4.339 0.235 1.00 74.40 H new ATOM 0 HG1 THR A 7 -4.167 -4.798 -1.683 1.00 24.22 H new ATOM 0 HG21 THR A 7 -4.801 -2.917 -0.353 1.00 33.01 H new ATOM 0 HG22 THR A 7 -3.492 -1.978 0.403 1.00 33.01 H new ATOM 0 HG23 THR A 7 -3.739 -1.903 -1.358 1.00 33.01 H new ATOM 104 N VAL A 8 -0.903 -1.287 0.510 1.00 52.02 N ATOM 105 CA VAL A 8 -0.466 -0.568 1.698 1.00 11.25 C ATOM 106 C VAL A 8 -1.497 0.465 2.122 1.00 52.10 C ATOM 107 O VAL A 8 -2.204 1.032 1.289 1.00 45.43 O ATOM 108 CB VAL A 8 0.886 0.140 1.487 1.00 53.41 C ATOM 109 CG1 VAL A 8 2.024 -0.866 1.476 1.00 65.43 C ATOM 110 CG2 VAL A 8 0.873 0.958 0.203 1.00 62.30 C ATOM 0 H VAL A 8 -1.225 -0.688 -0.250 1.00 52.02 H new ATOM 0 HA VAL A 8 -0.349 -1.317 2.481 1.00 11.25 H new ATOM 0 HB VAL A 8 1.046 0.823 2.321 1.00 53.41 H new ATOM 0 HG11 VAL A 8 2.969 -0.344 1.326 1.00 65.43 H new ATOM 0 HG12 VAL A 8 2.050 -1.397 2.428 1.00 65.43 H new ATOM 0 HG13 VAL A 8 1.871 -1.580 0.667 1.00 65.43 H new ATOM 0 HG21 VAL A 8 1.838 1.449 0.075 1.00 62.30 H new ATOM 0 HG22 VAL A 8 0.685 0.300 -0.646 1.00 62.30 H new ATOM 0 HG23 VAL A 8 0.087 1.711 0.259 1.00 62.30 H new ATOM 120 N ARG A 9 -1.580 0.696 3.418 1.00 34.45 N ATOM 121 CA ARG A 9 -2.489 1.686 3.964 1.00 10.20 C ATOM 122 C ARG A 9 -1.692 2.865 4.501 1.00 22.14 C ATOM 123 O ARG A 9 -0.611 2.681 5.061 1.00 30.23 O ATOM 124 CB ARG A 9 -3.331 1.067 5.083 1.00 31.40 C ATOM 125 CG ARG A 9 -4.394 2.001 5.633 1.00 50.12 C ATOM 126 CD ARG A 9 -5.013 1.453 6.908 1.00 4.14 C ATOM 127 NE ARG A 9 -5.612 0.127 6.722 1.00 54.02 N ATOM 128 CZ ARG A 9 -6.096 -0.613 7.718 1.00 43.34 C ATOM 129 NH1 ARG A 9 -6.052 -0.160 8.968 1.00 2.30 N ATOM 130 NH2 ARG A 9 -6.620 -1.808 7.471 1.00 40.54 N ATOM 0 H ARG A 9 -1.023 0.206 4.118 1.00 34.45 H new ATOM 0 HA ARG A 9 -3.158 2.033 3.176 1.00 10.20 H new ATOM 0 HB2 ARG A 9 -3.812 0.164 4.707 1.00 31.40 H new ATOM 0 HB3 ARG A 9 -2.672 0.762 5.896 1.00 31.40 H new ATOM 0 HG2 ARG A 9 -3.953 2.978 5.832 1.00 50.12 H new ATOM 0 HG3 ARG A 9 -5.172 2.149 4.884 1.00 50.12 H new ATOM 0 HD2 ARG A 9 -4.249 1.396 7.683 1.00 4.14 H new ATOM 0 HD3 ARG A 9 -5.776 2.145 7.263 1.00 4.14 H new ATOM 0 HE ARG A 9 -5.661 -0.250 5.775 1.00 54.02 H new ATOM 0 HH11 ARG A 9 -5.647 0.755 9.165 1.00 2.30 H new ATOM 0 HH12 ARG A 9 -6.423 -0.728 9.730 1.00 2.30 H new ATOM 0 HH21 ARG A 9 -6.653 -2.163 6.515 1.00 40.54 H new ATOM 0 HH22 ARG A 9 -6.989 -2.371 8.237 1.00 40.54 H new ATOM 144 N VAL A 10 -2.203 4.072 4.316 1.00 12.50 N ATOM 145 CA VAL A 10 -1.548 5.256 4.854 1.00 4.32 C ATOM 146 C VAL A 10 -1.867 5.400 6.340 1.00 64.23 C ATOM 147 O VAL A 10 -3.009 5.679 6.722 1.00 4.33 O ATOM 148 CB VAL A 10 -1.966 6.536 4.101 1.00 60.31 C ATOM 149 CG1 VAL A 10 -1.231 7.752 4.649 1.00 32.11 C ATOM 150 CG2 VAL A 10 -1.713 6.385 2.607 1.00 11.20 C ATOM 0 H VAL A 10 -3.064 4.258 3.801 1.00 12.50 H new ATOM 0 HA VAL A 10 -0.474 5.128 4.720 1.00 4.32 H new ATOM 0 HB VAL A 10 -3.034 6.687 4.256 1.00 60.31 H new ATOM 0 HG11 VAL A 10 -1.542 8.642 4.102 1.00 32.11 H new ATOM 0 HG12 VAL A 10 -1.467 7.874 5.706 1.00 32.11 H new ATOM 0 HG13 VAL A 10 -0.157 7.611 4.531 1.00 32.11 H new ATOM 0 HG21 VAL A 10 -2.014 7.298 2.093 1.00 11.20 H new ATOM 0 HG22 VAL A 10 -0.652 6.204 2.434 1.00 11.20 H new ATOM 0 HG23 VAL A 10 -2.292 5.545 2.223 1.00 11.20 H new ATOM 160 N THR A 11 -0.855 5.190 7.168 1.00 10.20 N ATOM 161 CA THR A 11 -1.021 5.231 8.615 1.00 53.13 C ATOM 162 C THR A 11 -0.759 6.632 9.160 1.00 13.41 C ATOM 163 O THR A 11 -1.048 6.922 10.321 1.00 74.42 O ATOM 164 CB THR A 11 -0.064 4.236 9.300 1.00 2.51 C ATOM 165 OG1 THR A 11 0.004 3.034 8.532 1.00 44.33 O ATOM 166 CG2 THR A 11 -0.532 3.907 10.711 1.00 3.15 C ATOM 0 H THR A 11 0.096 4.988 6.861 1.00 10.20 H new ATOM 0 HA THR A 11 -2.052 4.953 8.833 1.00 53.13 H new ATOM 0 HB THR A 11 0.922 4.697 9.362 1.00 2.51 H new ATOM 0 HG1 THR A 11 -0.743 2.448 8.775 1.00 44.33 H new ATOM 0 HG21 THR A 11 0.162 3.203 11.170 1.00 3.15 H new ATOM 0 HG22 THR A 11 -0.568 4.820 11.305 1.00 3.15 H new ATOM 0 HG23 THR A 11 -1.526 3.462 10.670 1.00 3.15 H new ATOM 174 N ASN A 12 -0.204 7.493 8.318 1.00 2.43 N ATOM 175 CA ASN A 12 0.080 8.869 8.709 1.00 15.40 C ATOM 176 C ASN A 12 -1.229 9.610 8.985 1.00 52.54 C ATOM 177 O ASN A 12 -1.973 9.949 8.065 1.00 13.01 O ATOM 178 CB ASN A 12 0.902 9.567 7.614 1.00 43.21 C ATOM 179 CG ASN A 12 1.359 10.968 7.990 1.00 25.42 C ATOM 180 OD1 ASN A 12 0.663 11.710 8.679 1.00 52.55 O ATOM 181 ND2 ASN A 12 2.552 11.334 7.556 1.00 14.21 N ATOM 0 H ASN A 12 0.059 7.264 7.359 1.00 2.43 H new ATOM 0 HA ASN A 12 0.671 8.874 9.625 1.00 15.40 H new ATOM 0 HB2 ASN A 12 1.777 8.958 7.386 1.00 43.21 H new ATOM 0 HB3 ASN A 12 0.305 9.621 6.704 1.00 43.21 H new ATOM 0 HD21 ASN A 12 2.920 12.256 7.791 1.00 14.21 H new ATOM 0 HD22 ASN A 12 3.105 10.695 6.986 1.00 14.21 H new ATOM 188 N VAL A 13 -1.498 9.844 10.265 1.00 75.23 N ATOM 189 CA VAL A 13 -2.768 10.408 10.708 1.00 20.25 C ATOM 190 C VAL A 13 -2.886 11.880 10.326 1.00 61.24 C ATOM 191 O VAL A 13 -3.986 12.414 10.177 1.00 3.23 O ATOM 192 CB VAL A 13 -2.939 10.244 12.239 1.00 52.20 C ATOM 193 CG1 VAL A 13 -1.921 11.079 13.005 1.00 44.40 C ATOM 194 CG2 VAL A 13 -4.357 10.588 12.673 1.00 34.21 C ATOM 0 H VAL A 13 -0.844 9.649 11.023 1.00 75.23 H new ATOM 0 HA VAL A 13 -3.562 9.858 10.203 1.00 20.25 H new ATOM 0 HB VAL A 13 -2.757 9.196 12.477 1.00 52.20 H new ATOM 0 HG11 VAL A 13 -2.069 10.941 14.076 1.00 44.40 H new ATOM 0 HG12 VAL A 13 -0.914 10.763 12.734 1.00 44.40 H new ATOM 0 HG13 VAL A 13 -2.051 12.132 12.754 1.00 44.40 H new ATOM 0 HG21 VAL A 13 -4.447 10.464 13.752 1.00 34.21 H new ATOM 0 HG22 VAL A 13 -4.578 11.622 12.407 1.00 34.21 H new ATOM 0 HG23 VAL A 13 -5.062 9.925 12.171 1.00 34.21 H new ATOM 204 N ASP A 14 -1.745 12.522 10.145 1.00 43.12 N ATOM 205 CA ASP A 14 -1.709 13.945 9.842 1.00 44.04 C ATOM 206 C ASP A 14 -1.751 14.178 8.336 1.00 43.11 C ATOM 207 O ASP A 14 -1.891 15.311 7.874 1.00 24.11 O ATOM 208 CB ASP A 14 -0.453 14.574 10.453 1.00 72.32 C ATOM 209 CG ASP A 14 -0.404 16.079 10.288 1.00 0.23 C ATOM 210 OD1 ASP A 14 -1.411 16.753 10.592 1.00 22.14 O ATOM 211 OD2 ASP A 14 0.656 16.597 9.879 1.00 22.13 O ATOM 0 H ASP A 14 -0.828 12.080 10.203 1.00 43.12 H new ATOM 0 HA ASP A 14 -2.588 14.419 10.278 1.00 44.04 H new ATOM 0 HB2 ASP A 14 -0.410 14.329 11.514 1.00 72.32 H new ATOM 0 HB3 ASP A 14 0.430 14.134 9.988 1.00 72.32 H new ATOM 216 N ASP A 15 -1.643 13.103 7.571 1.00 33.11 N ATOM 217 CA ASP A 15 -1.696 13.195 6.119 1.00 53.21 C ATOM 218 C ASP A 15 -3.145 13.155 5.634 1.00 14.32 C ATOM 219 O ASP A 15 -4.054 12.790 6.383 1.00 44.41 O ATOM 220 CB ASP A 15 -0.890 12.060 5.475 1.00 43.24 C ATOM 221 CG ASP A 15 -0.778 12.204 3.969 1.00 55.31 C ATOM 222 OD1 ASP A 15 0.126 12.932 3.503 1.00 3.53 O ATOM 223 OD2 ASP A 15 -1.607 11.609 3.250 1.00 61.13 O ATOM 0 H ASP A 15 -1.518 12.157 7.930 1.00 33.11 H new ATOM 0 HA ASP A 15 -1.254 14.145 5.821 1.00 53.21 H new ATOM 0 HB2 ASP A 15 0.110 12.038 5.909 1.00 43.24 H new ATOM 0 HB3 ASP A 15 -1.361 11.106 5.711 1.00 43.24 H new ATOM 228 N THR A 16 -3.352 13.530 4.383 1.00 31.31 N ATOM 229 CA THR A 16 -4.678 13.590 3.797 1.00 41.03 C ATOM 230 C THR A 16 -5.250 12.197 3.538 1.00 42.00 C ATOM 231 O THR A 16 -6.448 11.964 3.708 1.00 3.13 O ATOM 232 CB THR A 16 -4.628 14.374 2.472 1.00 2.24 C ATOM 233 OG1 THR A 16 -4.002 15.646 2.694 1.00 11.14 O ATOM 234 CG2 THR A 16 -6.021 14.580 1.896 1.00 11.03 C ATOM 0 H THR A 16 -2.604 13.802 3.745 1.00 31.31 H new ATOM 0 HA THR A 16 -5.329 14.096 4.510 1.00 41.03 H new ATOM 0 HB THR A 16 -4.049 13.794 1.753 1.00 2.24 H new ATOM 0 HG1 THR A 16 -3.968 16.145 1.851 1.00 11.14 H new ATOM 0 HG21 THR A 16 -5.950 15.136 0.961 1.00 11.03 H new ATOM 0 HG22 THR A 16 -6.484 13.611 1.707 1.00 11.03 H new ATOM 0 HG23 THR A 16 -6.629 15.140 2.606 1.00 11.03 H new ATOM 242 N TYR A 17 -4.389 11.265 3.153 1.00 4.32 N ATOM 243 CA TYR A 17 -4.844 9.952 2.721 1.00 64.42 C ATOM 244 C TYR A 17 -4.816 8.942 3.863 1.00 10.44 C ATOM 245 O TYR A 17 -4.698 7.737 3.643 1.00 2.31 O ATOM 246 CB TYR A 17 -4.008 9.477 1.530 1.00 74.01 C ATOM 247 CG TYR A 17 -4.242 10.320 0.292 1.00 64.24 C ATOM 248 CD1 TYR A 17 -3.489 11.465 0.051 1.00 13.33 C ATOM 249 CD2 TYR A 17 -5.235 9.988 -0.621 1.00 12.24 C ATOM 250 CE1 TYR A 17 -3.716 12.247 -1.066 1.00 24.22 C ATOM 251 CE2 TYR A 17 -5.470 10.769 -1.738 1.00 62.54 C ATOM 252 CZ TYR A 17 -4.708 11.897 -1.956 1.00 73.10 C ATOM 253 OH TYR A 17 -4.951 12.684 -3.059 1.00 34.34 O ATOM 0 H TYR A 17 -3.377 11.393 3.131 1.00 4.32 H new ATOM 0 HA TYR A 17 -5.883 10.035 2.404 1.00 64.42 H new ATOM 0 HB2 TYR A 17 -2.951 9.509 1.795 1.00 74.01 H new ATOM 0 HB3 TYR A 17 -4.250 8.437 1.310 1.00 74.01 H new ATOM 0 HD1 TYR A 17 -2.714 11.747 0.748 1.00 13.33 H new ATOM 0 HD2 TYR A 17 -5.834 9.105 -0.456 1.00 12.24 H new ATOM 0 HE1 TYR A 17 -3.118 13.129 -1.241 1.00 24.22 H new ATOM 0 HE2 TYR A 17 -6.247 10.496 -2.437 1.00 62.54 H new ATOM 0 HH TYR A 17 -5.682 12.295 -3.584 1.00 34.34 H new ATOM 263 N TYR A 18 -4.968 9.438 5.081 1.00 31.21 N ATOM 264 CA TYR A 18 -5.075 8.580 6.249 1.00 63.21 C ATOM 265 C TYR A 18 -6.312 7.687 6.132 1.00 62.40 C ATOM 266 O TYR A 18 -7.403 8.169 5.821 1.00 64.44 O ATOM 267 CB TYR A 18 -5.134 9.431 7.521 1.00 53.20 C ATOM 268 CG TYR A 18 -5.389 8.644 8.785 1.00 64.40 C ATOM 269 CD1 TYR A 18 -4.504 7.665 9.217 1.00 51.20 C ATOM 270 CD2 TYR A 18 -6.527 8.879 9.540 1.00 2.14 C ATOM 271 CE1 TYR A 18 -4.746 6.944 10.372 1.00 1.45 C ATOM 272 CE2 TYR A 18 -6.776 8.165 10.693 1.00 24.15 C ATOM 273 CZ TYR A 18 -5.885 7.198 11.105 1.00 24.44 C ATOM 274 OH TYR A 18 -6.139 6.482 12.254 1.00 45.22 O ATOM 0 H TYR A 18 -5.020 10.436 5.286 1.00 31.21 H new ATOM 0 HA TYR A 18 -4.195 7.940 6.306 1.00 63.21 H new ATOM 0 HB2 TYR A 18 -4.193 9.971 7.627 1.00 53.20 H new ATOM 0 HB3 TYR A 18 -5.919 10.178 7.408 1.00 53.20 H new ATOM 0 HD1 TYR A 18 -3.612 7.463 8.642 1.00 51.20 H new ATOM 0 HD2 TYR A 18 -7.230 9.634 9.220 1.00 2.14 H new ATOM 0 HE1 TYR A 18 -4.047 6.187 10.697 1.00 1.45 H new ATOM 0 HE2 TYR A 18 -7.666 8.363 11.271 1.00 24.15 H new ATOM 0 HH TYR A 18 -6.982 6.787 12.650 1.00 45.22 H new ATOM 284 N ARG A 19 -6.111 6.387 6.365 1.00 31.41 N ATOM 285 CA ARG A 19 -7.162 5.363 6.255 1.00 71.43 C ATOM 286 C ARG A 19 -7.441 4.990 4.802 1.00 50.40 C ATOM 287 O ARG A 19 -8.366 4.228 4.517 1.00 42.22 O ATOM 288 CB ARG A 19 -8.472 5.775 6.942 1.00 32.22 C ATOM 289 CG ARG A 19 -8.412 5.757 8.458 1.00 71.44 C ATOM 290 CD ARG A 19 -9.808 5.779 9.064 1.00 41.40 C ATOM 291 NE ARG A 19 -10.575 6.958 8.657 1.00 5.12 N ATOM 292 CZ ARG A 19 -11.781 6.906 8.086 1.00 44.01 C ATOM 293 NH1 ARG A 19 -12.342 5.735 7.813 1.00 72.14 N ATOM 294 NH2 ARG A 19 -12.419 8.026 7.770 1.00 25.23 N ATOM 0 H ARG A 19 -5.204 6.008 6.639 1.00 31.41 H new ATOM 0 HA ARG A 19 -6.772 4.489 6.777 1.00 71.43 H new ATOM 0 HB2 ARG A 19 -8.742 6.778 6.612 1.00 32.22 H new ATOM 0 HB3 ARG A 19 -9.267 5.106 6.613 1.00 32.22 H new ATOM 0 HG2 ARG A 19 -7.881 4.866 8.793 1.00 71.44 H new ATOM 0 HG3 ARG A 19 -7.845 6.618 8.812 1.00 71.44 H new ATOM 0 HD2 ARG A 19 -10.345 4.879 8.765 1.00 41.40 H new ATOM 0 HD3 ARG A 19 -9.730 5.757 10.151 1.00 41.40 H new ATOM 0 HE ARG A 19 -10.162 7.876 8.820 1.00 5.12 H new ATOM 0 HH11 ARG A 19 -11.852 4.870 8.039 1.00 72.14 H new ATOM 0 HH12 ARG A 19 -13.263 5.700 7.377 1.00 72.14 H new ATOM 0 HH21 ARG A 19 -11.988 8.930 7.963 1.00 25.23 H new ATOM 0 HH22 ARG A 19 -13.340 7.983 7.334 1.00 25.23 H new ATOM 308 N PHE A 20 -6.650 5.517 3.883 1.00 4.04 N ATOM 309 CA PHE A 20 -6.746 5.109 2.497 1.00 24.11 C ATOM 310 C PHE A 20 -5.710 4.041 2.202 1.00 42.03 C ATOM 311 O PHE A 20 -4.627 4.027 2.794 1.00 33.34 O ATOM 312 CB PHE A 20 -6.563 6.298 1.558 1.00 33.11 C ATOM 313 CG PHE A 20 -7.728 7.253 1.547 1.00 71.40 C ATOM 314 CD1 PHE A 20 -7.878 8.204 2.543 1.00 25.12 C ATOM 315 CD2 PHE A 20 -8.671 7.202 0.531 1.00 51.20 C ATOM 316 CE1 PHE A 20 -8.945 9.083 2.529 1.00 5.54 C ATOM 317 CE2 PHE A 20 -9.739 8.078 0.513 1.00 15.43 C ATOM 318 CZ PHE A 20 -9.876 9.019 1.513 1.00 42.31 C ATOM 0 H PHE A 20 -5.939 6.224 4.072 1.00 4.04 H new ATOM 0 HA PHE A 20 -7.742 4.700 2.328 1.00 24.11 H new ATOM 0 HB2 PHE A 20 -5.663 6.841 1.847 1.00 33.11 H new ATOM 0 HB3 PHE A 20 -6.400 5.927 0.546 1.00 33.11 H new ATOM 0 HD1 PHE A 20 -7.152 8.259 3.341 1.00 25.12 H new ATOM 0 HD2 PHE A 20 -8.569 6.469 -0.255 1.00 51.20 H new ATOM 0 HE1 PHE A 20 -9.050 9.819 3.313 1.00 5.54 H new ATOM 0 HE2 PHE A 20 -10.467 8.026 -0.283 1.00 15.43 H new ATOM 0 HZ PHE A 20 -10.711 9.704 1.500 1.00 42.31 H new ATOM 328 N GLU A 21 -6.048 3.148 1.292 1.00 34.21 N ATOM 329 CA GLU A 21 -5.194 2.014 0.979 1.00 2.51 C ATOM 330 C GLU A 21 -4.948 1.938 -0.522 1.00 44.31 C ATOM 331 O GLU A 21 -5.893 1.961 -1.315 1.00 34.02 O ATOM 332 CB GLU A 21 -5.826 0.714 1.489 1.00 23.20 C ATOM 333 CG GLU A 21 -6.233 0.784 2.954 1.00 12.34 C ATOM 334 CD GLU A 21 -6.715 -0.539 3.506 1.00 21.24 C ATOM 335 OE1 GLU A 21 -7.814 -0.990 3.121 1.00 41.44 O ATOM 336 OE2 GLU A 21 -6.002 -1.131 4.342 1.00 74.05 O ATOM 0 H GLU A 21 -6.913 3.185 0.753 1.00 34.21 H new ATOM 0 HA GLU A 21 -4.235 2.149 1.480 1.00 2.51 H new ATOM 0 HB2 GLU A 21 -6.703 0.482 0.885 1.00 23.20 H new ATOM 0 HB3 GLU A 21 -5.119 -0.105 1.353 1.00 23.20 H new ATOM 0 HG2 GLU A 21 -5.383 1.128 3.544 1.00 12.34 H new ATOM 0 HG3 GLU A 21 -7.022 1.527 3.069 1.00 12.34 H new ATOM 343 N GLY A 22 -3.681 1.854 -0.905 1.00 40.11 N ATOM 344 CA GLY A 22 -3.326 1.851 -2.310 1.00 20.20 C ATOM 345 C GLY A 22 -2.364 0.738 -2.657 1.00 53.03 C ATOM 346 O GLY A 22 -1.998 -0.065 -1.799 1.00 62.14 O ATOM 0 H GLY A 22 -2.890 1.788 -0.265 1.00 40.11 H new ATOM 0 HA2 GLY A 22 -4.230 1.747 -2.910 1.00 20.20 H new ATOM 0 HA3 GLY A 22 -2.878 2.810 -2.571 1.00 20.20 H new ATOM 350 N LEU A 23 -1.942 0.700 -3.910 1.00 53.01 N ATOM 351 CA LEU A 23 -1.076 -0.363 -4.391 1.00 52.12 C ATOM 352 C LEU A 23 0.361 0.128 -4.504 1.00 22.25 C ATOM 353 O LEU A 23 0.612 1.203 -5.044 1.00 54.52 O ATOM 354 CB LEU A 23 -1.571 -0.852 -5.753 1.00 10.35 C ATOM 355 CG LEU A 23 -0.795 -2.024 -6.348 1.00 40.12 C ATOM 356 CD1 LEU A 23 -0.978 -3.270 -5.500 1.00 33.15 C ATOM 357 CD2 LEU A 23 -1.242 -2.282 -7.774 1.00 75.21 C ATOM 0 H LEU A 23 -2.186 1.396 -4.615 1.00 53.01 H new ATOM 0 HA LEU A 23 -1.103 -1.188 -3.679 1.00 52.12 H new ATOM 0 HB2 LEU A 23 -2.618 -1.142 -5.658 1.00 10.35 H new ATOM 0 HB3 LEU A 23 -1.533 -0.019 -6.455 1.00 10.35 H new ATOM 0 HG LEU A 23 0.265 -1.768 -6.357 1.00 40.12 H new ATOM 0 HD11 LEU A 23 -0.418 -4.095 -5.940 1.00 33.15 H new ATOM 0 HD12 LEU A 23 -0.612 -3.080 -4.491 1.00 33.15 H new ATOM 0 HD13 LEU A 23 -2.036 -3.531 -5.460 1.00 33.15 H new ATOM 0 HD21 LEU A 23 -0.680 -3.120 -8.185 1.00 75.21 H new ATOM 0 HD22 LEU A 23 -2.306 -2.518 -7.785 1.00 75.21 H new ATOM 0 HD23 LEU A 23 -1.062 -1.393 -8.378 1.00 75.21 H new ATOM 369 N VAL A 24 1.303 -0.648 -3.987 1.00 2.45 N ATOM 370 CA VAL A 24 2.711 -0.308 -4.125 1.00 14.40 C ATOM 371 C VAL A 24 3.169 -0.544 -5.555 1.00 71.55 C ATOM 372 O VAL A 24 3.251 -1.688 -6.009 1.00 20.34 O ATOM 373 CB VAL A 24 3.604 -1.127 -3.175 1.00 43.32 C ATOM 374 CG1 VAL A 24 5.058 -0.716 -3.317 1.00 54.41 C ATOM 375 CG2 VAL A 24 3.148 -0.971 -1.740 1.00 74.13 C ATOM 0 H VAL A 24 1.120 -1.510 -3.473 1.00 2.45 H new ATOM 0 HA VAL A 24 2.810 0.745 -3.863 1.00 14.40 H new ATOM 0 HB VAL A 24 3.515 -2.178 -3.450 1.00 43.32 H new ATOM 0 HG11 VAL A 24 5.671 -1.307 -2.637 1.00 54.41 H new ATOM 0 HG12 VAL A 24 5.386 -0.887 -4.342 1.00 54.41 H new ATOM 0 HG13 VAL A 24 5.163 0.341 -3.074 1.00 54.41 H new ATOM 0 HG21 VAL A 24 3.794 -1.558 -1.087 1.00 74.13 H new ATOM 0 HG22 VAL A 24 3.201 0.079 -1.453 1.00 74.13 H new ATOM 0 HG23 VAL A 24 2.120 -1.321 -1.645 1.00 74.13 H new ATOM 385 N GLN A 25 3.476 0.535 -6.255 1.00 14.10 N ATOM 386 CA GLN A 25 3.898 0.444 -7.639 1.00 1.01 C ATOM 387 C GLN A 25 5.351 0.007 -7.690 1.00 44.32 C ATOM 388 O GLN A 25 5.762 -0.739 -8.577 1.00 51.42 O ATOM 389 CB GLN A 25 3.739 1.793 -8.343 1.00 74.35 C ATOM 390 CG GLN A 25 3.541 1.673 -9.844 1.00 0.03 C ATOM 391 CD GLN A 25 2.077 1.573 -10.234 1.00 3.45 C ATOM 392 OE1 GLN A 25 1.431 2.583 -10.509 1.00 74.43 O ATOM 393 NE2 GLN A 25 1.532 0.365 -10.246 1.00 61.33 N ATOM 0 H GLN A 25 3.440 1.485 -5.885 1.00 14.10 H new ATOM 0 HA GLN A 25 3.273 -0.287 -8.152 1.00 1.01 H new ATOM 0 HB2 GLN A 25 2.887 2.320 -7.913 1.00 74.35 H new ATOM 0 HB3 GLN A 25 4.622 2.402 -8.148 1.00 74.35 H new ATOM 0 HG2 GLN A 25 3.986 2.538 -10.336 1.00 0.03 H new ATOM 0 HG3 GLN A 25 4.071 0.792 -10.207 1.00 0.03 H new ATOM 0 HE21 GLN A 25 2.097 -0.452 -10.013 1.00 61.33 H new ATOM 0 HE22 GLN A 25 0.548 0.252 -10.489 1.00 61.33 H new ATOM 402 N ARG A 26 6.118 0.469 -6.709 1.00 4.23 N ATOM 403 CA ARG A 26 7.536 0.169 -6.622 1.00 65.23 C ATOM 404 C ARG A 26 8.115 0.739 -5.334 1.00 34.11 C ATOM 405 O ARG A 26 7.786 1.859 -4.934 1.00 61.13 O ATOM 406 CB ARG A 26 8.297 0.728 -7.834 1.00 40.14 C ATOM 407 CG ARG A 26 8.153 2.232 -8.024 1.00 3.12 C ATOM 408 CD ARG A 26 7.530 2.567 -9.371 1.00 21.23 C ATOM 409 NE ARG A 26 8.324 2.047 -10.484 1.00 54.21 N ATOM 410 CZ ARG A 26 7.809 1.633 -11.643 1.00 20.41 C ATOM 411 NH1 ARG A 26 6.500 1.704 -11.855 1.00 64.32 N ATOM 412 NH2 ARG A 26 8.602 1.161 -12.594 1.00 42.32 N ATOM 0 H ARG A 26 5.772 1.061 -5.954 1.00 4.23 H new ATOM 0 HA ARG A 26 7.652 -0.915 -6.619 1.00 65.23 H new ATOM 0 HB2 ARG A 26 9.355 0.486 -7.727 1.00 40.14 H new ATOM 0 HB3 ARG A 26 7.944 0.224 -8.734 1.00 40.14 H new ATOM 0 HG2 ARG A 26 7.537 2.643 -7.225 1.00 3.12 H new ATOM 0 HG3 ARG A 26 9.132 2.705 -7.947 1.00 3.12 H new ATOM 0 HD2 ARG A 26 6.523 2.152 -9.418 1.00 21.23 H new ATOM 0 HD3 ARG A 26 7.434 3.648 -9.468 1.00 21.23 H new ATOM 0 HE ARG A 26 9.336 1.998 -10.367 1.00 54.21 H new ATOM 0 HH11 ARG A 26 5.885 2.076 -11.131 1.00 64.32 H new ATOM 0 HH12 ARG A 26 6.109 1.387 -12.742 1.00 64.32 H new ATOM 0 HH21 ARG A 26 9.609 1.113 -12.441 1.00 42.32 H new ATOM 0 HH22 ARG A 26 8.205 0.845 -13.479 1.00 42.32 H new ATOM 426 N VAL A 27 8.941 -0.054 -4.673 1.00 41.31 N ATOM 427 CA VAL A 27 9.691 0.404 -3.510 1.00 31.25 C ATOM 428 C VAL A 27 11.126 0.665 -3.930 1.00 4.12 C ATOM 429 O VAL A 27 11.877 -0.270 -4.215 1.00 24.45 O ATOM 430 CB VAL A 27 9.677 -0.631 -2.361 1.00 62.40 C ATOM 431 CG1 VAL A 27 10.455 -0.118 -1.156 1.00 31.05 C ATOM 432 CG2 VAL A 27 8.253 -0.983 -1.962 1.00 71.21 C ATOM 0 H VAL A 27 9.112 -1.028 -4.923 1.00 41.31 H new ATOM 0 HA VAL A 27 9.218 1.313 -3.138 1.00 31.25 H new ATOM 0 HB VAL A 27 10.164 -1.536 -2.724 1.00 62.40 H new ATOM 0 HG11 VAL A 27 10.430 -0.864 -0.362 1.00 31.05 H new ATOM 0 HG12 VAL A 27 11.489 0.071 -1.444 1.00 31.05 H new ATOM 0 HG13 VAL A 27 10.003 0.807 -0.798 1.00 31.05 H new ATOM 0 HG21 VAL A 27 8.272 -1.713 -1.152 1.00 71.21 H new ATOM 0 HG22 VAL A 27 7.736 -0.084 -1.628 1.00 71.21 H new ATOM 0 HG23 VAL A 27 7.729 -1.406 -2.819 1.00 71.21 H new ATOM 442 N SER A 28 11.503 1.930 -3.988 1.00 53.42 N ATOM 443 CA SER A 28 12.793 2.302 -4.534 1.00 50.03 C ATOM 444 C SER A 28 13.291 3.602 -3.922 1.00 20.22 C ATOM 445 O SER A 28 12.502 4.505 -3.634 1.00 51.14 O ATOM 446 CB SER A 28 12.678 2.440 -6.057 1.00 41.21 C ATOM 447 OG SER A 28 13.941 2.668 -6.668 1.00 22.34 O ATOM 0 H SER A 28 10.935 2.713 -3.665 1.00 53.42 H new ATOM 0 HA SER A 28 13.515 1.522 -4.292 1.00 50.03 H new ATOM 0 HB2 SER A 28 12.233 1.535 -6.470 1.00 41.21 H new ATOM 0 HB3 SER A 28 12.005 3.264 -6.297 1.00 41.21 H new ATOM 0 HG SER A 28 13.825 2.749 -7.638 1.00 22.34 H new ATOM 453 N ASP A 29 14.602 3.663 -3.696 1.00 62.33 N ATOM 454 CA ASP A 29 15.283 4.883 -3.260 1.00 43.21 C ATOM 455 C ASP A 29 14.853 5.288 -1.848 1.00 62.10 C ATOM 456 O ASP A 29 15.050 6.425 -1.426 1.00 31.41 O ATOM 457 CB ASP A 29 15.019 6.011 -4.264 1.00 33.12 C ATOM 458 CG ASP A 29 16.004 7.156 -4.147 1.00 53.42 C ATOM 459 OD1 ASP A 29 17.220 6.913 -4.302 1.00 2.44 O ATOM 460 OD2 ASP A 29 15.566 8.311 -3.941 1.00 53.12 O ATOM 0 H ASP A 29 15.226 2.864 -3.810 1.00 62.33 H new ATOM 0 HA ASP A 29 16.355 4.688 -3.225 1.00 43.21 H new ATOM 0 HB2 ASP A 29 15.061 5.606 -5.275 1.00 33.12 H new ATOM 0 HB3 ASP A 29 14.009 6.392 -4.115 1.00 33.12 H new ATOM 465 N GLY A 30 14.288 4.337 -1.113 1.00 13.02 N ATOM 466 CA GLY A 30 13.891 4.592 0.260 1.00 72.33 C ATOM 467 C GLY A 30 12.439 5.010 0.384 1.00 34.21 C ATOM 468 O GLY A 30 11.944 5.242 1.489 1.00 41.55 O ATOM 0 H GLY A 30 14.097 3.391 -1.444 1.00 13.02 H new ATOM 0 HA2 GLY A 30 14.058 3.694 0.854 1.00 72.33 H new ATOM 0 HA3 GLY A 30 14.526 5.373 0.678 1.00 72.33 H new ATOM 472 N LYS A 31 11.758 5.106 -0.746 1.00 12.43 N ATOM 473 CA LYS A 31 10.379 5.530 -0.790 1.00 5.33 C ATOM 474 C LYS A 31 9.527 4.474 -1.490 1.00 43.52 C ATOM 475 O LYS A 31 10.055 3.496 -2.021 1.00 72.45 O ATOM 476 CB LYS A 31 10.309 6.845 -1.551 1.00 62.05 C ATOM 477 CG LYS A 31 10.913 8.025 -0.805 1.00 55.01 C ATOM 478 CD LYS A 31 11.454 9.074 -1.765 1.00 60.13 C ATOM 479 CE LYS A 31 12.662 8.549 -2.527 1.00 11.21 C ATOM 480 NZ LYS A 31 13.180 9.532 -3.514 1.00 12.41 N ATOM 0 H LYS A 31 12.154 4.889 -1.661 1.00 12.43 H new ATOM 0 HA LYS A 31 9.996 5.662 0.222 1.00 5.33 H new ATOM 0 HB2 LYS A 31 10.824 6.729 -2.504 1.00 62.05 H new ATOM 0 HB3 LYS A 31 9.266 7.067 -1.777 1.00 62.05 H new ATOM 0 HG2 LYS A 31 10.157 8.475 -0.161 1.00 55.01 H new ATOM 0 HG3 LYS A 31 11.716 7.674 -0.157 1.00 55.01 H new ATOM 0 HD2 LYS A 31 10.674 9.364 -2.469 1.00 60.13 H new ATOM 0 HD3 LYS A 31 11.732 9.970 -1.210 1.00 60.13 H new ATOM 0 HE2 LYS A 31 13.453 8.297 -1.820 1.00 11.21 H new ATOM 0 HE3 LYS A 31 12.390 7.628 -3.043 1.00 11.21 H new ATOM 0 HZ1 LYS A 31 14.051 9.164 -3.947 1.00 12.41 H new ATOM 0 HZ2 LYS A 31 12.466 9.690 -4.254 1.00 12.41 H new ATOM 0 HZ3 LYS A 31 13.386 10.431 -3.033 1.00 12.41 H new ATOM 494 N ALA A 32 8.218 4.674 -1.501 1.00 1.01 N ATOM 495 CA ALA A 32 7.314 3.749 -2.167 1.00 44.43 C ATOM 496 C ALA A 32 6.240 4.512 -2.931 1.00 14.31 C ATOM 497 O ALA A 32 5.599 5.408 -2.384 1.00 43.33 O ATOM 498 CB ALA A 32 6.679 2.804 -1.159 1.00 65.21 C ATOM 0 H ALA A 32 7.758 5.468 -1.056 1.00 1.01 H new ATOM 0 HA ALA A 32 7.890 3.157 -2.878 1.00 44.43 H new ATOM 0 HB1 ALA A 32 6.006 2.120 -1.676 1.00 65.21 H new ATOM 0 HB2 ALA A 32 7.458 2.234 -0.654 1.00 65.21 H new ATOM 0 HB3 ALA A 32 6.117 3.380 -0.424 1.00 65.21 H new ATOM 504 N ALA A 33 6.049 4.162 -4.195 1.00 15.14 N ATOM 505 CA ALA A 33 5.053 4.825 -5.021 1.00 12.25 C ATOM 506 C ALA A 33 3.704 4.155 -4.833 1.00 42.21 C ATOM 507 O ALA A 33 3.538 2.983 -5.167 1.00 23.33 O ATOM 508 CB ALA A 33 5.471 4.793 -6.484 1.00 31.43 C ATOM 0 H ALA A 33 6.570 3.424 -4.669 1.00 15.14 H new ATOM 0 HA ALA A 33 4.972 5.868 -4.715 1.00 12.25 H new ATOM 0 HB1 ALA A 33 4.715 5.293 -7.089 1.00 31.43 H new ATOM 0 HB2 ALA A 33 6.426 5.305 -6.601 1.00 31.43 H new ATOM 0 HB3 ALA A 33 5.571 3.758 -6.811 1.00 31.43 H new ATOM 514 N VAL A 34 2.755 4.886 -4.279 1.00 52.23 N ATOM 515 CA VAL A 34 1.442 4.338 -3.994 1.00 53.11 C ATOM 516 C VAL A 34 0.457 4.715 -5.084 1.00 44.41 C ATOM 517 O VAL A 34 0.210 5.893 -5.343 1.00 73.54 O ATOM 518 CB VAL A 34 0.910 4.823 -2.631 1.00 21.03 C ATOM 519 CG1 VAL A 34 -0.446 4.203 -2.322 1.00 4.43 C ATOM 520 CG2 VAL A 34 1.909 4.504 -1.533 1.00 71.01 C ATOM 0 H VAL A 34 2.870 5.865 -4.016 1.00 52.23 H new ATOM 0 HA VAL A 34 1.545 3.253 -3.958 1.00 53.11 H new ATOM 0 HB VAL A 34 0.779 5.904 -2.680 1.00 21.03 H new ATOM 0 HG11 VAL A 34 -0.798 4.562 -1.355 1.00 4.43 H new ATOM 0 HG12 VAL A 34 -1.160 4.485 -3.096 1.00 4.43 H new ATOM 0 HG13 VAL A 34 -0.352 3.117 -2.294 1.00 4.43 H new ATOM 0 HG21 VAL A 34 1.521 4.852 -0.576 1.00 71.01 H new ATOM 0 HG22 VAL A 34 2.070 3.427 -1.489 1.00 71.01 H new ATOM 0 HG23 VAL A 34 2.854 5.004 -1.745 1.00 71.01 H new ATOM 530 N LEU A 35 -0.082 3.706 -5.736 1.00 41.03 N ATOM 531 CA LEU A 35 -1.070 3.912 -6.767 1.00 35.22 C ATOM 532 C LEU A 35 -2.457 3.913 -6.164 1.00 13.41 C ATOM 533 O LEU A 35 -2.885 2.924 -5.564 1.00 50.25 O ATOM 534 CB LEU A 35 -0.989 2.816 -7.821 1.00 24.52 C ATOM 535 CG LEU A 35 -1.886 3.022 -9.035 1.00 52.41 C ATOM 536 CD1 LEU A 35 -1.475 4.270 -9.801 1.00 73.45 C ATOM 537 CD2 LEU A 35 -1.850 1.803 -9.941 1.00 23.32 C ATOM 0 H LEU A 35 0.152 2.728 -5.566 1.00 41.03 H new ATOM 0 HA LEU A 35 -0.870 4.875 -7.237 1.00 35.22 H new ATOM 0 HB2 LEU A 35 0.044 2.735 -8.161 1.00 24.52 H new ATOM 0 HB3 LEU A 35 -1.247 1.865 -7.355 1.00 24.52 H new ATOM 0 HG LEU A 35 -2.909 3.158 -8.684 1.00 52.41 H new ATOM 0 HD11 LEU A 35 -2.128 4.399 -10.664 1.00 73.45 H new ATOM 0 HD12 LEU A 35 -1.558 5.140 -9.150 1.00 73.45 H new ATOM 0 HD13 LEU A 35 -0.444 4.167 -10.139 1.00 73.45 H new ATOM 0 HD21 LEU A 35 -2.497 1.970 -10.802 1.00 23.32 H new ATOM 0 HD22 LEU A 35 -0.829 1.633 -10.282 1.00 23.32 H new ATOM 0 HD23 LEU A 35 -2.198 0.930 -9.390 1.00 23.32 H new ATOM 549 N PHE A 36 -3.143 5.022 -6.307 1.00 71.33 N ATOM 550 CA PHE A 36 -4.529 5.106 -5.915 1.00 15.13 C ATOM 551 C PHE A 36 -5.397 4.836 -7.122 1.00 54.42 C ATOM 552 O PHE A 36 -5.122 5.322 -8.222 1.00 20.14 O ATOM 553 CB PHE A 36 -4.865 6.471 -5.323 1.00 12.33 C ATOM 554 CG PHE A 36 -4.124 6.776 -4.052 1.00 61.22 C ATOM 555 CD1 PHE A 36 -4.524 6.207 -2.853 1.00 34.34 C ATOM 556 CD2 PHE A 36 -3.028 7.624 -4.057 1.00 72.44 C ATOM 557 CE1 PHE A 36 -3.846 6.480 -1.680 1.00 10.52 C ATOM 558 CE2 PHE A 36 -2.345 7.900 -2.887 1.00 72.22 C ATOM 559 CZ PHE A 36 -2.754 7.326 -1.698 1.00 33.12 C ATOM 0 H PHE A 36 -2.760 5.884 -6.695 1.00 71.33 H new ATOM 0 HA PHE A 36 -4.717 4.361 -5.142 1.00 15.13 H new ATOM 0 HB2 PHE A 36 -4.639 7.242 -6.059 1.00 12.33 H new ATOM 0 HB3 PHE A 36 -5.937 6.520 -5.129 1.00 12.33 H new ATOM 0 HD1 PHE A 36 -5.375 5.543 -2.835 1.00 34.34 H new ATOM 0 HD2 PHE A 36 -2.704 8.074 -4.984 1.00 72.44 H new ATOM 0 HE1 PHE A 36 -4.169 6.033 -0.751 1.00 10.52 H new ATOM 0 HE2 PHE A 36 -1.493 8.563 -2.902 1.00 72.22 H new ATOM 0 HZ PHE A 36 -2.220 7.539 -0.784 1.00 33.12 H new ATOM 569 N GLU A 37 -6.431 4.061 -6.907 1.00 55.22 N ATOM 570 CA GLU A 37 -7.288 3.604 -7.979 1.00 74.33 C ATOM 571 C GLU A 37 -8.651 3.254 -7.399 1.00 63.21 C ATOM 572 O GLU A 37 -8.793 2.277 -6.663 1.00 65.12 O ATOM 573 CB GLU A 37 -6.628 2.398 -8.672 1.00 72.00 C ATOM 574 CG GLU A 37 -7.291 1.950 -9.965 1.00 1.53 C ATOM 575 CD GLU A 37 -8.534 1.119 -9.731 1.00 41.03 C ATOM 576 OE1 GLU A 37 -8.406 -0.019 -9.227 1.00 71.33 O ATOM 577 OE2 GLU A 37 -9.642 1.599 -10.040 1.00 61.13 O ATOM 0 H GLU A 37 -6.705 3.727 -5.983 1.00 55.22 H new ATOM 0 HA GLU A 37 -7.428 4.382 -8.729 1.00 74.33 H new ATOM 0 HB2 GLU A 37 -5.588 2.645 -8.883 1.00 72.00 H new ATOM 0 HB3 GLU A 37 -6.621 1.559 -7.976 1.00 72.00 H new ATOM 0 HG2 GLU A 37 -7.552 2.827 -10.557 1.00 1.53 H new ATOM 0 HG3 GLU A 37 -6.578 1.371 -10.552 1.00 1.53 H new ATOM 584 N ASN A 38 -9.636 4.081 -7.698 1.00 44.31 N ATOM 585 CA ASN A 38 -10.968 3.912 -7.140 1.00 14.11 C ATOM 586 C ASN A 38 -12.031 4.123 -8.205 1.00 54.24 C ATOM 587 O ASN A 38 -12.340 5.261 -8.572 1.00 5.40 O ATOM 588 CB ASN A 38 -11.185 4.880 -5.972 1.00 3.41 C ATOM 589 CG ASN A 38 -12.600 4.835 -5.425 1.00 52.15 C ATOM 590 OD1 ASN A 38 -13.451 5.637 -5.805 1.00 52.42 O ATOM 591 ND2 ASN A 38 -12.862 3.893 -4.537 1.00 41.25 N ATOM 0 H ASN A 38 -9.540 4.879 -8.326 1.00 44.31 H new ATOM 0 HA ASN A 38 -11.054 2.891 -6.769 1.00 14.11 H new ATOM 0 HB2 ASN A 38 -10.484 4.640 -5.173 1.00 3.41 H new ATOM 0 HB3 ASN A 38 -10.960 5.895 -6.300 1.00 3.41 H new ATOM 0 HD21 ASN A 38 -13.798 3.812 -4.141 1.00 41.25 H new ATOM 0 HD22 ASN A 38 -12.128 3.247 -4.248 1.00 41.25 H new ATOM 598 N GLY A 39 -12.557 3.019 -8.715 1.00 71.43 N ATOM 599 CA GLY A 39 -13.615 3.067 -9.703 1.00 4.40 C ATOM 600 C GLY A 39 -13.133 3.581 -11.042 1.00 71.01 C ATOM 601 O GLY A 39 -12.904 2.808 -11.971 1.00 72.21 O ATOM 0 H GLY A 39 -12.264 2.077 -8.457 1.00 71.43 H new ATOM 0 HA2 GLY A 39 -14.035 2.069 -9.830 1.00 4.40 H new ATOM 0 HA3 GLY A 39 -14.419 3.707 -9.339 1.00 4.40 H new ATOM 605 N ASN A 40 -12.973 4.890 -11.131 1.00 25.11 N ATOM 606 CA ASN A 40 -12.574 5.538 -12.371 1.00 14.50 C ATOM 607 C ASN A 40 -11.360 6.431 -12.137 1.00 33.51 C ATOM 608 O ASN A 40 -10.663 6.820 -13.076 1.00 24.22 O ATOM 609 CB ASN A 40 -13.730 6.382 -12.904 1.00 0.11 C ATOM 610 CG ASN A 40 -13.492 6.888 -14.312 1.00 2.24 C ATOM 611 OD1 ASN A 40 -12.882 6.211 -15.142 1.00 40.23 O ATOM 612 ND2 ASN A 40 -13.963 8.092 -14.590 1.00 23.03 N ATOM 0 H ASN A 40 -13.115 5.532 -10.351 1.00 25.11 H new ATOM 0 HA ASN A 40 -12.313 4.770 -13.099 1.00 14.50 H new ATOM 0 HB2 ASN A 40 -14.644 5.789 -12.886 1.00 0.11 H new ATOM 0 HB3 ASN A 40 -13.889 7.232 -12.240 1.00 0.11 H new ATOM 0 HD21 ASN A 40 -13.826 8.491 -15.519 1.00 23.03 H new ATOM 0 HD22 ASN A 40 -14.463 8.622 -13.876 1.00 23.03 H new ATOM 619 N TRP A 41 -11.114 6.749 -10.877 1.00 75.15 N ATOM 620 CA TRP A 41 -10.052 7.674 -10.516 1.00 64.14 C ATOM 621 C TRP A 41 -8.727 6.956 -10.311 1.00 12.44 C ATOM 622 O TRP A 41 -8.665 5.887 -9.701 1.00 65.32 O ATOM 623 CB TRP A 41 -10.449 8.451 -9.260 1.00 12.04 C ATOM 624 CG TRP A 41 -9.357 9.300 -8.675 1.00 0.24 C ATOM 625 CD1 TRP A 41 -8.817 10.435 -9.214 1.00 4.14 C ATOM 626 CD2 TRP A 41 -8.685 9.092 -7.423 1.00 21.54 C ATOM 627 NE1 TRP A 41 -7.847 10.936 -8.382 1.00 71.53 N ATOM 628 CE2 TRP A 41 -7.750 10.133 -7.275 1.00 4.03 C ATOM 629 CE3 TRP A 41 -8.786 8.130 -6.413 1.00 13.30 C ATOM 630 CZ2 TRP A 41 -6.918 10.237 -6.163 1.00 20.21 C ATOM 631 CZ3 TRP A 41 -7.961 8.235 -5.309 1.00 50.35 C ATOM 632 CH2 TRP A 41 -7.039 9.284 -5.191 1.00 74.24 C ATOM 0 H TRP A 41 -11.638 6.379 -10.084 1.00 75.15 H new ATOM 0 HA TRP A 41 -9.914 8.373 -11.341 1.00 64.14 H new ATOM 0 HB2 TRP A 41 -11.299 9.090 -9.498 1.00 12.04 H new ATOM 0 HB3 TRP A 41 -10.785 7.743 -8.503 1.00 12.04 H new ATOM 0 HD1 TRP A 41 -9.111 10.873 -10.156 1.00 4.14 H new ATOM 0 HE1 TRP A 41 -7.288 11.771 -8.559 1.00 71.53 H new ATOM 0 HE3 TRP A 41 -9.496 7.320 -6.494 1.00 13.30 H new ATOM 0 HZ2 TRP A 41 -6.203 11.041 -6.072 1.00 20.21 H new ATOM 0 HZ3 TRP A 41 -8.028 7.496 -4.524 1.00 50.35 H new ATOM 0 HH2 TRP A 41 -6.411 9.340 -4.314 1.00 74.24 H new ATOM 643 N ASP A 42 -7.677 7.578 -10.819 1.00 34.01 N ATOM 644 CA ASP A 42 -6.319 7.048 -10.724 1.00 1.43 C ATOM 645 C ASP A 42 -5.365 8.154 -10.321 1.00 34.12 C ATOM 646 O ASP A 42 -5.514 9.298 -10.759 1.00 42.54 O ATOM 647 CB ASP A 42 -5.837 6.482 -12.063 1.00 64.44 C ATOM 648 CG ASP A 42 -6.590 5.254 -12.533 1.00 11.15 C ATOM 649 OD1 ASP A 42 -7.684 5.404 -13.116 1.00 41.21 O ATOM 650 OD2 ASP A 42 -6.068 4.134 -12.360 1.00 53.31 O ATOM 0 H ASP A 42 -7.738 8.469 -11.312 1.00 34.01 H new ATOM 0 HA ASP A 42 -6.335 6.250 -9.981 1.00 1.43 H new ATOM 0 HB2 ASP A 42 -5.923 7.258 -12.823 1.00 64.44 H new ATOM 0 HB3 ASP A 42 -4.779 6.234 -11.979 1.00 64.44 H new ATOM 655 N LYS A 43 -4.378 7.813 -9.514 1.00 32.44 N ATOM 656 CA LYS A 43 -3.362 8.770 -9.102 1.00 21.45 C ATOM 657 C LYS A 43 -2.192 8.057 -8.434 1.00 3.41 C ATOM 658 O LYS A 43 -2.361 7.373 -7.429 1.00 73.53 O ATOM 659 CB LYS A 43 -3.952 9.811 -8.148 1.00 63.31 C ATOM 660 CG LYS A 43 -2.991 10.942 -7.826 1.00 14.35 C ATOM 661 CD LYS A 43 -3.650 12.031 -6.992 1.00 23.41 C ATOM 662 CE LYS A 43 -2.687 13.176 -6.707 1.00 61.13 C ATOM 663 NZ LYS A 43 -2.195 13.818 -7.955 1.00 42.42 N ATOM 0 H LYS A 43 -4.256 6.877 -9.128 1.00 32.44 H new ATOM 0 HA LYS A 43 -3.000 9.280 -9.994 1.00 21.45 H new ATOM 0 HB2 LYS A 43 -4.857 10.227 -8.590 1.00 63.31 H new ATOM 0 HB3 LYS A 43 -4.247 9.319 -7.221 1.00 63.31 H new ATOM 0 HG2 LYS A 43 -2.131 10.544 -7.288 1.00 14.35 H new ATOM 0 HG3 LYS A 43 -2.615 11.373 -8.754 1.00 14.35 H new ATOM 0 HD2 LYS A 43 -4.526 12.413 -7.517 1.00 23.41 H new ATOM 0 HD3 LYS A 43 -4.002 11.607 -6.051 1.00 23.41 H new ATOM 0 HE2 LYS A 43 -3.185 13.922 -6.088 1.00 61.13 H new ATOM 0 HE3 LYS A 43 -1.839 12.801 -6.134 1.00 61.13 H new ATOM 0 HZ1 LYS A 43 -1.741 14.725 -7.723 1.00 42.42 H new ATOM 0 HZ2 LYS A 43 -1.504 13.193 -8.418 1.00 42.42 H new ATOM 0 HZ3 LYS A 43 -2.995 13.986 -8.598 1.00 42.42 H new ATOM 677 N LEU A 44 -1.009 8.214 -9.002 1.00 71.54 N ATOM 678 CA LEU A 44 0.191 7.619 -8.440 1.00 41.24 C ATOM 679 C LEU A 44 0.936 8.645 -7.596 1.00 13.31 C ATOM 680 O LEU A 44 1.505 9.605 -8.122 1.00 42.53 O ATOM 681 CB LEU A 44 1.106 7.095 -9.550 1.00 70.03 C ATOM 682 CG LEU A 44 2.406 6.445 -9.068 1.00 43.54 C ATOM 683 CD1 LEU A 44 2.112 5.196 -8.256 1.00 34.04 C ATOM 684 CD2 LEU A 44 3.306 6.117 -10.245 1.00 31.51 C ATOM 0 H LEU A 44 -0.854 8.751 -9.855 1.00 71.54 H new ATOM 0 HA LEU A 44 -0.104 6.781 -7.809 1.00 41.24 H new ATOM 0 HB2 LEU A 44 0.552 6.367 -10.143 1.00 70.03 H new ATOM 0 HB3 LEU A 44 1.356 7.922 -10.214 1.00 70.03 H new ATOM 0 HG LEU A 44 2.926 7.155 -8.425 1.00 43.54 H new ATOM 0 HD11 LEU A 44 3.049 4.750 -7.923 1.00 34.04 H new ATOM 0 HD12 LEU A 44 1.507 5.460 -7.388 1.00 34.04 H new ATOM 0 HD13 LEU A 44 1.568 4.481 -8.873 1.00 34.04 H new ATOM 0 HD21 LEU A 44 4.225 5.656 -9.883 1.00 31.51 H new ATOM 0 HD22 LEU A 44 2.793 5.427 -10.914 1.00 31.51 H new ATOM 0 HD23 LEU A 44 3.548 7.033 -10.784 1.00 31.51 H new ATOM 696 N VAL A 45 0.923 8.447 -6.291 1.00 24.10 N ATOM 697 CA VAL A 45 1.605 9.350 -5.380 1.00 74.12 C ATOM 698 C VAL A 45 2.677 8.597 -4.608 1.00 64.15 C ATOM 699 O VAL A 45 2.388 7.624 -3.916 1.00 60.42 O ATOM 700 CB VAL A 45 0.631 10.009 -4.378 1.00 45.11 C ATOM 701 CG1 VAL A 45 1.345 11.074 -3.557 1.00 74.25 C ATOM 702 CG2 VAL A 45 -0.573 10.603 -5.095 1.00 2.00 C ATOM 0 H VAL A 45 0.447 7.668 -5.837 1.00 24.10 H new ATOM 0 HA VAL A 45 2.056 10.138 -5.984 1.00 74.12 H new ATOM 0 HB VAL A 45 0.271 9.235 -3.700 1.00 45.11 H new ATOM 0 HG11 VAL A 45 0.642 11.526 -2.857 1.00 74.25 H new ATOM 0 HG12 VAL A 45 2.165 10.617 -3.003 1.00 74.25 H new ATOM 0 HG13 VAL A 45 1.740 11.842 -4.222 1.00 74.25 H new ATOM 0 HG21 VAL A 45 -1.242 11.060 -4.366 1.00 2.00 H new ATOM 0 HG22 VAL A 45 -0.237 11.360 -5.804 1.00 2.00 H new ATOM 0 HG23 VAL A 45 -1.103 9.815 -5.630 1.00 2.00 H new ATOM 712 N THR A 46 3.914 9.033 -4.742 1.00 14.55 N ATOM 713 CA THR A 46 5.003 8.420 -4.013 1.00 51.33 C ATOM 714 C THR A 46 4.998 8.914 -2.573 1.00 14.31 C ATOM 715 O THR A 46 4.917 10.117 -2.310 1.00 10.41 O ATOM 716 CB THR A 46 6.359 8.739 -4.655 1.00 13.01 C ATOM 717 OG1 THR A 46 6.281 8.558 -6.078 1.00 52.00 O ATOM 718 CG2 THR A 46 7.455 7.846 -4.090 1.00 74.30 C ATOM 0 H THR A 46 4.188 9.807 -5.347 1.00 14.55 H new ATOM 0 HA THR A 46 4.858 7.340 -4.039 1.00 51.33 H new ATOM 0 HB THR A 46 6.605 9.776 -4.429 1.00 13.01 H new ATOM 0 HG1 THR A 46 7.149 8.765 -6.482 1.00 52.00 H new ATOM 0 HG21 THR A 46 8.406 8.093 -4.563 1.00 74.30 H new ATOM 0 HG22 THR A 46 7.533 8.002 -3.014 1.00 74.30 H new ATOM 0 HG23 THR A 46 7.212 6.802 -4.288 1.00 74.30 H new ATOM 726 N PHE A 47 5.077 7.980 -1.656 1.00 20.12 N ATOM 727 CA PHE A 47 5.077 8.288 -0.241 1.00 52.52 C ATOM 728 C PHE A 47 6.322 7.720 0.406 1.00 42.52 C ATOM 729 O PHE A 47 7.155 7.096 -0.257 1.00 5.22 O ATOM 730 CB PHE A 47 3.839 7.716 0.461 1.00 31.03 C ATOM 731 CG PHE A 47 2.554 8.426 0.141 1.00 71.14 C ATOM 732 CD1 PHE A 47 2.244 9.631 0.751 1.00 62.43 C ATOM 733 CD2 PHE A 47 1.649 7.882 -0.754 1.00 51.33 C ATOM 734 CE1 PHE A 47 1.058 10.280 0.472 1.00 2.20 C ATOM 735 CE2 PHE A 47 0.462 8.527 -1.039 1.00 75.51 C ATOM 736 CZ PHE A 47 0.165 9.729 -0.423 1.00 42.35 C ATOM 0 H PHE A 47 5.143 6.984 -1.867 1.00 20.12 H new ATOM 0 HA PHE A 47 5.060 9.373 -0.137 1.00 52.52 H new ATOM 0 HB2 PHE A 47 3.736 6.666 0.188 1.00 31.03 H new ATOM 0 HB3 PHE A 47 4.000 7.751 1.538 1.00 31.03 H new ATOM 0 HD1 PHE A 47 2.939 10.068 1.453 1.00 62.43 H new ATOM 0 HD2 PHE A 47 1.874 6.942 -1.235 1.00 51.33 H new ATOM 0 HE1 PHE A 47 0.830 11.219 0.954 1.00 2.20 H new ATOM 0 HE2 PHE A 47 -0.234 8.093 -1.742 1.00 75.51 H new ATOM 0 HZ PHE A 47 -0.764 10.235 -0.642 1.00 42.35 H new ATOM 746 N ARG A 48 6.442 7.933 1.698 1.00 31.11 N ATOM 747 CA ARG A 48 7.557 7.410 2.451 1.00 1.11 C ATOM 748 C ARG A 48 7.169 6.080 3.078 1.00 73.31 C ATOM 749 O ARG A 48 5.989 5.759 3.199 1.00 34.00 O ATOM 750 CB ARG A 48 7.982 8.425 3.514 1.00 44.12 C ATOM 751 CG ARG A 48 8.443 9.746 2.914 1.00 21.42 C ATOM 752 CD ARG A 48 8.466 10.869 3.937 1.00 32.25 C ATOM 753 NE ARG A 48 9.481 10.680 4.970 1.00 75.12 N ATOM 754 CZ ARG A 48 9.599 11.471 6.037 1.00 62.32 C ATOM 755 NH1 ARG A 48 8.729 12.453 6.239 1.00 54.33 N ATOM 756 NH2 ARG A 48 10.577 11.266 6.909 1.00 32.20 N ATOM 0 H ARG A 48 5.774 8.470 2.251 1.00 31.11 H new ATOM 0 HA ARG A 48 8.405 7.239 1.788 1.00 1.11 H new ATOM 0 HB2 ARG A 48 7.146 8.609 4.189 1.00 44.12 H new ATOM 0 HB3 ARG A 48 8.788 8.002 4.113 1.00 44.12 H new ATOM 0 HG2 ARG A 48 9.440 9.622 2.492 1.00 21.42 H new ATOM 0 HG3 ARG A 48 7.781 10.020 2.093 1.00 21.42 H new ATOM 0 HD2 ARG A 48 8.647 11.815 3.426 1.00 32.25 H new ATOM 0 HD3 ARG A 48 7.486 10.944 4.408 1.00 32.25 H new ATOM 0 HE ARG A 48 10.134 9.902 4.870 1.00 75.12 H new ATOM 0 HH11 ARG A 48 7.968 12.604 5.577 1.00 54.33 H new ATOM 0 HH12 ARG A 48 8.822 13.056 7.056 1.00 54.33 H new ATOM 0 HH21 ARG A 48 11.239 10.503 6.763 1.00 32.20 H new ATOM 0 HH22 ARG A 48 10.668 11.871 7.725 1.00 32.20 H new ATOM 770 N LEU A 49 8.163 5.313 3.470 1.00 15.03 N ATOM 771 CA LEU A 49 7.935 3.997 4.051 1.00 52.25 C ATOM 772 C LEU A 49 7.324 4.137 5.435 1.00 64.53 C ATOM 773 O LEU A 49 6.608 3.254 5.906 1.00 21.21 O ATOM 774 CB LEU A 49 9.242 3.204 4.122 1.00 35.40 C ATOM 775 CG LEU A 49 9.890 2.893 2.768 1.00 24.23 C ATOM 776 CD1 LEU A 49 11.180 2.114 2.967 1.00 11.52 C ATOM 777 CD2 LEU A 49 8.928 2.115 1.880 1.00 14.32 C ATOM 0 H LEU A 49 9.146 5.576 3.398 1.00 15.03 H new ATOM 0 HA LEU A 49 7.240 3.451 3.413 1.00 52.25 H new ATOM 0 HB2 LEU A 49 9.955 3.763 4.728 1.00 35.40 H new ATOM 0 HB3 LEU A 49 9.051 2.264 4.640 1.00 35.40 H new ATOM 0 HG LEU A 49 10.126 3.835 2.273 1.00 24.23 H new ATOM 0 HD11 LEU A 49 11.629 1.900 1.997 1.00 11.52 H new ATOM 0 HD12 LEU A 49 11.873 2.705 3.566 1.00 11.52 H new ATOM 0 HD13 LEU A 49 10.964 1.178 3.481 1.00 11.52 H new ATOM 0 HD21 LEU A 49 9.406 1.904 0.923 1.00 14.32 H new ATOM 0 HD22 LEU A 49 8.661 1.177 2.367 1.00 14.32 H new ATOM 0 HD23 LEU A 49 8.028 2.707 1.713 1.00 14.32 H new ATOM 789 N SER A 50 7.601 5.265 6.074 1.00 11.00 N ATOM 790 CA SER A 50 7.024 5.589 7.346 1.00 23.43 C ATOM 791 C SER A 50 5.577 6.039 7.183 1.00 42.15 C ATOM 792 O SER A 50 4.837 6.159 8.159 1.00 11.14 O ATOM 793 CB SER A 50 7.854 6.688 7.969 1.00 65.55 C ATOM 794 OG SER A 50 9.233 6.356 7.943 1.00 23.23 O ATOM 0 H SER A 50 8.237 5.976 5.713 1.00 11.00 H new ATOM 0 HA SER A 50 7.022 4.709 7.989 1.00 23.43 H new ATOM 0 HB2 SER A 50 7.690 7.622 7.432 1.00 65.55 H new ATOM 0 HB3 SER A 50 7.534 6.852 8.998 1.00 65.55 H new ATOM 0 HG SER A 50 9.752 7.081 8.349 1.00 23.23 H new ATOM 800 N GLU A 51 5.178 6.281 5.940 1.00 74.31 N ATOM 801 CA GLU A 51 3.809 6.710 5.657 1.00 43.54 C ATOM 802 C GLU A 51 2.874 5.515 5.535 1.00 42.42 C ATOM 803 O GLU A 51 1.665 5.636 5.740 1.00 2.14 O ATOM 804 CB GLU A 51 3.748 7.525 4.362 1.00 1.31 C ATOM 805 CG GLU A 51 3.540 9.012 4.574 1.00 64.10 C ATOM 806 CD GLU A 51 4.637 9.640 5.400 1.00 64.54 C ATOM 807 OE1 GLU A 51 4.501 9.678 6.638 1.00 5.03 O ATOM 808 OE2 GLU A 51 5.635 10.097 4.814 1.00 44.33 O ATOM 0 H GLU A 51 5.774 6.189 5.118 1.00 74.31 H new ATOM 0 HA GLU A 51 3.487 7.333 6.492 1.00 43.54 H new ATOM 0 HB2 GLU A 51 4.674 7.374 3.807 1.00 1.31 H new ATOM 0 HB3 GLU A 51 2.938 7.141 3.742 1.00 1.31 H new ATOM 0 HG2 GLU A 51 3.489 9.510 3.606 1.00 64.10 H new ATOM 0 HG3 GLU A 51 2.581 9.174 5.066 1.00 64.10 H new ATOM 815 N LEU A 52 3.438 4.361 5.218 1.00 44.41 N ATOM 816 CA LEU A 52 2.642 3.216 4.823 1.00 25.53 C ATOM 817 C LEU A 52 2.763 2.062 5.805 1.00 51.03 C ATOM 818 O LEU A 52 3.824 1.832 6.388 1.00 14.22 O ATOM 819 CB LEU A 52 3.098 2.744 3.447 1.00 62.41 C ATOM 820 CG LEU A 52 3.062 3.803 2.350 1.00 42.30 C ATOM 821 CD1 LEU A 52 3.700 3.266 1.083 1.00 53.22 C ATOM 822 CD2 LEU A 52 1.633 4.253 2.085 1.00 74.32 C ATOM 0 H LEU A 52 4.444 4.195 5.227 1.00 44.41 H new ATOM 0 HA LEU A 52 1.598 3.530 4.805 1.00 25.53 H new ATOM 0 HB2 LEU A 52 4.117 2.365 3.530 1.00 62.41 H new ATOM 0 HB3 LEU A 52 2.470 1.907 3.142 1.00 62.41 H new ATOM 0 HG LEU A 52 3.632 4.670 2.684 1.00 42.30 H new ATOM 0 HD11 LEU A 52 3.668 4.031 0.307 1.00 53.22 H new ATOM 0 HD12 LEU A 52 4.737 2.996 1.284 1.00 53.22 H new ATOM 0 HD13 LEU A 52 3.154 2.385 0.746 1.00 53.22 H new ATOM 0 HD21 LEU A 52 1.629 5.008 1.299 1.00 74.32 H new ATOM 0 HD22 LEU A 52 1.035 3.398 1.769 1.00 74.32 H new ATOM 0 HD23 LEU A 52 1.210 4.675 2.996 1.00 74.32 H new ATOM 834 N GLU A 53 1.663 1.351 5.984 1.00 44.14 N ATOM 835 CA GLU A 53 1.674 0.079 6.679 1.00 34.51 C ATOM 836 C GLU A 53 1.368 -1.028 5.680 1.00 52.32 C ATOM 837 O GLU A 53 0.541 -0.851 4.780 1.00 43.24 O ATOM 838 CB GLU A 53 0.652 0.056 7.823 1.00 75.54 C ATOM 839 CG GLU A 53 -0.794 0.186 7.367 1.00 2.15 C ATOM 840 CD GLU A 53 -1.776 0.199 8.518 1.00 34.15 C ATOM 841 OE1 GLU A 53 -2.051 1.296 9.059 1.00 1.52 O ATOM 842 OE2 GLU A 53 -2.275 -0.884 8.893 1.00 73.11 O ATOM 0 H GLU A 53 0.742 1.639 5.653 1.00 44.14 H new ATOM 0 HA GLU A 53 2.660 -0.073 7.119 1.00 34.51 H new ATOM 0 HB2 GLU A 53 0.764 -0.876 8.378 1.00 75.54 H new ATOM 0 HB3 GLU A 53 0.878 0.868 8.514 1.00 75.54 H new ATOM 0 HG2 GLU A 53 -0.906 1.104 6.790 1.00 2.15 H new ATOM 0 HG3 GLU A 53 -1.035 -0.642 6.700 1.00 2.15 H new ATOM 849 N ALA A 54 2.045 -2.152 5.817 1.00 32.11 N ATOM 850 CA ALA A 54 1.819 -3.275 4.924 1.00 54.24 C ATOM 851 C ALA A 54 0.541 -4.003 5.311 1.00 13.22 C ATOM 852 O ALA A 54 0.440 -4.560 6.408 1.00 13.04 O ATOM 853 CB ALA A 54 3.010 -4.227 4.943 1.00 2.53 C ATOM 0 H ALA A 54 2.753 -2.313 6.534 1.00 32.11 H new ATOM 0 HA ALA A 54 1.708 -2.895 3.908 1.00 54.24 H new ATOM 0 HB1 ALA A 54 2.820 -5.061 4.267 1.00 2.53 H new ATOM 0 HB2 ALA A 54 3.906 -3.696 4.621 1.00 2.53 H new ATOM 0 HB3 ALA A 54 3.157 -4.606 5.954 1.00 2.53 H new ATOM 859 N VAL A 55 -0.439 -3.977 4.419 1.00 73.53 N ATOM 860 CA VAL A 55 -1.702 -4.650 4.666 1.00 45.12 C ATOM 861 C VAL A 55 -1.485 -6.158 4.606 1.00 10.42 C ATOM 862 O VAL A 55 -0.415 -6.632 4.210 1.00 2.02 O ATOM 863 CB VAL A 55 -2.790 -4.222 3.651 1.00 51.50 C ATOM 864 CG1 VAL A 55 -4.178 -4.679 4.082 1.00 52.10 C ATOM 865 CG2 VAL A 55 -2.777 -2.714 3.461 1.00 73.22 C ATOM 0 H VAL A 55 -0.382 -3.498 3.520 1.00 73.53 H new ATOM 0 HA VAL A 55 -2.056 -4.365 5.657 1.00 45.12 H new ATOM 0 HB VAL A 55 -2.557 -4.707 2.703 1.00 51.50 H new ATOM 0 HG11 VAL A 55 -4.912 -4.359 3.343 1.00 52.10 H new ATOM 0 HG12 VAL A 55 -4.195 -5.766 4.163 1.00 52.10 H new ATOM 0 HG13 VAL A 55 -4.422 -4.240 5.049 1.00 52.10 H new ATOM 0 HG21 VAL A 55 -3.548 -2.431 2.744 1.00 73.22 H new ATOM 0 HG22 VAL A 55 -2.972 -2.225 4.416 1.00 73.22 H new ATOM 0 HG23 VAL A 55 -1.802 -2.403 3.087 1.00 73.22 H new