USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 168:sc= 1.07 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.944 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -124:sc= 0.473 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0011 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 1.13! (180deg=1.13!) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0.383 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 156:sc= -0.0132 (180deg=-0.425) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 70 SER OG : rot -163:sc= 1.21 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-4.6!) USER MOD Single : A 105 THR OG1 : rot -41:sc= 0.065 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.259 -17.228 12.198 1.00 54.40 N ATOM 2 CA GLY A 1 -11.392 -15.973 12.952 1.00 23.43 C ATOM 3 C GLY A 1 -11.919 -14.856 12.067 1.00 53.21 C ATOM 4 O GLY A 1 -12.969 -14.285 12.366 1.00 4.21 O ATOM 0 H1 GLY A 1 -10.897 -17.974 12.826 1.00 54.40 H new ATOM 0 H2 GLY A 1 -12.188 -17.509 11.826 1.00 54.40 H new ATOM 0 H3 GLY A 1 -10.597 -17.090 11.408 1.00 54.40 H new ATOM 0 HA2 GLY A 1 -12.066 -16.122 13.795 1.00 23.43 H new ATOM 0 HA3 GLY A 1 -10.424 -15.688 13.364 1.00 23.43 H new ATOM 8 N MET A 2 -11.210 -14.515 10.987 1.00 34.01 N ATOM 9 CA MET A 2 -11.654 -13.546 9.982 1.00 62.11 C ATOM 10 C MET A 2 -11.939 -14.244 8.655 1.00 50.52 C ATOM 11 O MET A 2 -11.414 -15.330 8.389 1.00 71.40 O ATOM 12 CB MET A 2 -10.602 -12.442 9.781 1.00 30.04 C ATOM 13 CG MET A 2 -9.189 -12.994 9.559 1.00 33.21 C ATOM 14 SD MET A 2 -7.955 -11.767 9.059 1.00 30.12 S ATOM 15 CE MET A 2 -6.589 -12.288 10.141 1.00 50.53 C ATOM 0 H MET A 2 -10.293 -14.913 10.783 1.00 34.01 H new ATOM 0 HA MET A 2 -12.574 -13.085 10.343 1.00 62.11 H new ATOM 0 HB2 MET A 2 -10.885 -11.829 8.925 1.00 30.04 H new ATOM 0 HB3 MET A 2 -10.598 -11.789 10.653 1.00 30.04 H new ATOM 0 HG2 MET A 2 -8.853 -13.470 10.480 1.00 33.21 H new ATOM 0 HG3 MET A 2 -9.235 -13.772 8.797 1.00 33.21 H new ATOM 0 HE1 MET A 2 -5.727 -11.642 9.975 1.00 50.53 H new ATOM 0 HE2 MET A 2 -6.902 -12.216 11.183 1.00 50.53 H new ATOM 0 HE3 MET A 2 -6.318 -13.319 9.914 1.00 50.53 H new ATOM 23 N LEU A 3 -12.726 -13.576 7.812 1.00 54.24 N ATOM 24 CA LEU A 3 -13.148 -13.997 6.486 1.00 33.43 C ATOM 25 C LEU A 3 -13.235 -12.735 5.613 1.00 2.13 C ATOM 26 O LEU A 3 -14.294 -12.310 5.147 1.00 10.13 O ATOM 27 CB LEU A 3 -14.482 -14.750 6.619 1.00 42.41 C ATOM 28 CG LEU A 3 -14.732 -15.845 5.575 1.00 43.22 C ATOM 29 CD1 LEU A 3 -14.721 -15.351 4.129 1.00 3.13 C ATOM 30 CD2 LEU A 3 -13.747 -17.006 5.743 1.00 21.25 C ATOM 0 H LEU A 3 -13.109 -12.664 8.060 1.00 54.24 H new ATOM 0 HA LEU A 3 -12.447 -14.683 6.010 1.00 33.43 H new ATOM 0 HB2 LEU A 3 -14.527 -15.201 7.610 1.00 42.41 H new ATOM 0 HB3 LEU A 3 -15.295 -14.026 6.561 1.00 42.41 H new ATOM 0 HG LEU A 3 -15.746 -16.194 5.769 1.00 43.22 H new ATOM 0 HD11 LEU A 3 -14.906 -16.189 3.457 1.00 3.13 H new ATOM 0 HD12 LEU A 3 -15.500 -14.600 3.995 1.00 3.13 H new ATOM 0 HD13 LEU A 3 -13.750 -14.911 3.902 1.00 3.13 H new ATOM 0 HD21 LEU A 3 -13.949 -17.767 4.989 1.00 21.25 H new ATOM 0 HD22 LEU A 3 -12.728 -16.639 5.624 1.00 21.25 H new ATOM 0 HD23 LEU A 3 -13.862 -17.440 6.736 1.00 21.25 H new ATOM 41 N LEU A 4 -12.096 -12.064 5.474 1.00 23.05 N ATOM 42 CA LEU A 4 -11.913 -10.911 4.605 1.00 53.11 C ATOM 43 C LEU A 4 -11.225 -11.350 3.311 1.00 71.24 C ATOM 44 O LEU A 4 -10.595 -12.415 3.272 1.00 23.31 O ATOM 45 CB LEU A 4 -11.058 -9.862 5.335 1.00 42.54 C ATOM 46 CG LEU A 4 -11.798 -8.895 6.272 1.00 10.31 C ATOM 47 CD1 LEU A 4 -12.595 -7.905 5.438 1.00 71.10 C ATOM 48 CD2 LEU A 4 -12.679 -9.560 7.329 1.00 3.15 C ATOM 0 H LEU A 4 -11.248 -12.318 5.981 1.00 23.05 H new ATOM 0 HA LEU A 4 -12.880 -10.475 4.357 1.00 53.11 H new ATOM 0 HB2 LEU A 4 -10.301 -10.387 5.918 1.00 42.54 H new ATOM 0 HB3 LEU A 4 -10.531 -9.272 4.585 1.00 42.54 H new ATOM 0 HG LEU A 4 -11.030 -8.382 6.851 1.00 10.31 H new ATOM 0 HD11 LEU A 4 -13.123 -7.216 6.097 1.00 71.10 H new ATOM 0 HD12 LEU A 4 -11.918 -7.344 4.794 1.00 71.10 H new ATOM 0 HD13 LEU A 4 -13.317 -8.444 4.824 1.00 71.10 H new ATOM 0 HD21 LEU A 4 -13.157 -8.793 7.939 1.00 3.15 H new ATOM 0 HD22 LEU A 4 -13.444 -10.163 6.839 1.00 3.15 H new ATOM 0 HD23 LEU A 4 -12.066 -10.199 7.964 1.00 3.15 H new ATOM 59 N SER A 5 -11.306 -10.499 2.288 1.00 14.23 N ATOM 60 CA SER A 5 -10.722 -10.708 0.969 1.00 1.41 C ATOM 61 C SER A 5 -9.902 -9.473 0.584 1.00 54.34 C ATOM 62 O SER A 5 -10.136 -8.390 1.128 1.00 34.33 O ATOM 63 CB SER A 5 -11.842 -10.952 -0.059 1.00 34.13 C ATOM 64 OG SER A 5 -13.113 -11.193 0.524 1.00 40.21 O ATOM 0 H SER A 5 -11.801 -9.610 2.362 1.00 14.23 H new ATOM 0 HA SER A 5 -10.069 -11.580 0.985 1.00 1.41 H new ATOM 0 HB2 SER A 5 -11.913 -10.086 -0.717 1.00 34.13 H new ATOM 0 HB3 SER A 5 -11.571 -11.804 -0.682 1.00 34.13 H new ATOM 0 HG SER A 5 -13.775 -11.338 -0.184 1.00 40.21 H new ATOM 69 N THR A 6 -8.989 -9.595 -0.382 1.00 75.31 N ATOM 70 CA THR A 6 -8.127 -8.499 -0.816 1.00 44.03 C ATOM 71 C THR A 6 -8.948 -7.264 -1.217 1.00 44.31 C ATOM 72 O THR A 6 -8.705 -6.167 -0.708 1.00 32.55 O ATOM 73 CB THR A 6 -7.192 -8.978 -1.936 1.00 43.13 C ATOM 74 OG1 THR A 6 -6.645 -10.249 -1.626 1.00 62.33 O ATOM 75 CG2 THR A 6 -6.050 -7.987 -2.124 1.00 40.04 C ATOM 0 H THR A 6 -8.828 -10.466 -0.888 1.00 75.31 H new ATOM 0 HA THR A 6 -7.504 -8.187 0.022 1.00 44.03 H new ATOM 0 HB THR A 6 -7.777 -9.051 -2.853 1.00 43.13 H new ATOM 0 HG1 THR A 6 -5.667 -10.199 -1.652 1.00 62.33 H new ATOM 0 HG21 THR A 6 -5.393 -8.336 -2.920 1.00 40.04 H new ATOM 0 HG22 THR A 6 -6.455 -7.011 -2.390 1.00 40.04 H new ATOM 0 HG23 THR A 6 -5.484 -7.904 -1.196 1.00 40.04 H new ATOM 83 N ASP A 7 -9.964 -7.443 -2.073 1.00 4.04 N ATOM 84 CA ASP A 7 -10.820 -6.341 -2.535 1.00 24.55 C ATOM 85 C ASP A 7 -11.495 -5.629 -1.366 1.00 44.31 C ATOM 86 O ASP A 7 -11.657 -4.413 -1.404 1.00 52.20 O ATOM 87 CB ASP A 7 -11.876 -6.863 -3.524 1.00 34.51 C ATOM 88 CG ASP A 7 -12.906 -5.804 -3.952 1.00 52.21 C ATOM 89 OD1 ASP A 7 -13.918 -5.615 -3.237 1.00 11.44 O ATOM 90 OD2 ASP A 7 -12.776 -5.251 -5.071 1.00 44.43 O ATOM 0 H ASP A 7 -10.215 -8.351 -2.463 1.00 4.04 H new ATOM 0 HA ASP A 7 -10.184 -5.617 -3.044 1.00 24.55 H new ATOM 0 HB2 ASP A 7 -11.371 -7.244 -4.412 1.00 34.51 H new ATOM 0 HB3 ASP A 7 -12.401 -7.704 -3.070 1.00 34.51 H new ATOM 94 N ILE A 8 -11.849 -6.367 -0.308 1.00 11.01 N ATOM 95 CA ILE A 8 -12.575 -5.832 0.833 1.00 55.02 C ATOM 96 C ILE A 8 -11.717 -4.815 1.583 1.00 1.25 C ATOM 97 O ILE A 8 -12.192 -3.719 1.897 1.00 54.43 O ATOM 98 CB ILE A 8 -13.046 -6.938 1.788 1.00 72.50 C ATOM 99 CG1 ILE A 8 -13.826 -8.050 1.079 1.00 63.52 C ATOM 100 CG2 ILE A 8 -13.893 -6.280 2.891 1.00 72.20 C ATOM 101 CD1 ILE A 8 -15.096 -7.641 0.343 1.00 15.32 C ATOM 0 H ILE A 8 -11.634 -7.361 -0.226 1.00 11.01 H new ATOM 0 HA ILE A 8 -13.464 -5.334 0.446 1.00 55.02 H new ATOM 0 HB ILE A 8 -12.171 -7.429 2.215 1.00 72.50 H new ATOM 0 HG12 ILE A 8 -13.158 -8.529 0.363 1.00 63.52 H new ATOM 0 HG13 ILE A 8 -14.092 -8.804 1.820 1.00 63.52 H new ATOM 0 HG21 ILE A 8 -14.242 -7.044 3.586 1.00 72.20 H new ATOM 0 HG22 ILE A 8 -13.287 -5.550 3.428 1.00 72.20 H new ATOM 0 HG23 ILE A 8 -14.750 -5.779 2.441 1.00 72.20 H new ATOM 0 HD11 ILE A 8 -15.551 -8.520 -0.114 1.00 15.32 H new ATOM 0 HD12 ILE A 8 -15.797 -7.195 1.048 1.00 15.32 H new ATOM 0 HD13 ILE A 8 -14.850 -6.916 -0.432 1.00 15.32 H new ATOM 112 N TRP A 9 -10.483 -5.192 1.926 1.00 34.24 N ATOM 113 CA TRP A 9 -9.631 -4.306 2.703 1.00 51.43 C ATOM 114 C TRP A 9 -9.251 -3.088 1.891 1.00 35.12 C ATOM 115 O TRP A 9 -9.269 -1.996 2.456 1.00 62.14 O ATOM 116 CB TRP A 9 -8.353 -4.984 3.161 1.00 61.10 C ATOM 117 CG TRP A 9 -8.501 -6.127 4.112 1.00 14.12 C ATOM 118 CD1 TRP A 9 -9.160 -6.131 5.293 1.00 32.23 C ATOM 119 CD2 TRP A 9 -7.996 -7.475 3.943 1.00 5.24 C ATOM 120 NE1 TRP A 9 -8.910 -7.323 5.943 1.00 65.34 N ATOM 121 CE2 TRP A 9 -8.206 -8.202 5.146 1.00 24.15 C ATOM 122 CE3 TRP A 9 -7.395 -8.152 2.870 1.00 4.51 C ATOM 123 CZ2 TRP A 9 -7.775 -9.528 5.299 1.00 22.35 C ATOM 124 CZ3 TRP A 9 -7.040 -9.506 2.978 1.00 43.10 C ATOM 125 CH2 TRP A 9 -7.202 -10.187 4.198 1.00 63.11 C ATOM 0 H TRP A 9 -10.063 -6.088 1.681 1.00 34.24 H new ATOM 0 HA TRP A 9 -10.210 -4.020 3.581 1.00 51.43 H new ATOM 0 HB2 TRP A 9 -7.823 -5.343 2.278 1.00 61.10 H new ATOM 0 HB3 TRP A 9 -7.718 -4.232 3.630 1.00 61.10 H new ATOM 0 HD1 TRP A 9 -9.781 -5.331 5.667 1.00 32.23 H new ATOM 0 HE1 TRP A 9 -9.209 -7.529 6.896 1.00 65.34 H new ATOM 0 HE3 TRP A 9 -7.203 -7.623 1.948 1.00 4.51 H new ATOM 0 HZ2 TRP A 9 -7.882 -10.034 6.247 1.00 22.35 H new ATOM 0 HZ3 TRP A 9 -6.641 -10.027 2.120 1.00 43.10 H new ATOM 0 HH2 TRP A 9 -6.886 -11.216 4.289 1.00 63.11 H new ATOM 135 N VAL A 10 -8.931 -3.260 0.602 1.00 44.44 N ATOM 136 CA VAL A 10 -8.636 -2.149 -0.291 1.00 51.14 C ATOM 137 C VAL A 10 -9.853 -1.220 -0.329 1.00 62.53 C ATOM 138 O VAL A 10 -9.700 -0.013 -0.153 1.00 21.43 O ATOM 139 CB VAL A 10 -8.218 -2.672 -1.683 1.00 13.41 C ATOM 140 CG1 VAL A 10 -8.075 -1.518 -2.689 1.00 41.14 C ATOM 141 CG2 VAL A 10 -6.883 -3.432 -1.595 1.00 53.32 C ATOM 0 H VAL A 10 -8.871 -4.175 0.156 1.00 44.44 H new ATOM 0 HA VAL A 10 -7.787 -1.571 0.074 1.00 51.14 H new ATOM 0 HB VAL A 10 -9.001 -3.347 -2.028 1.00 13.41 H new ATOM 0 HG11 VAL A 10 -7.780 -1.916 -3.660 1.00 41.14 H new ATOM 0 HG12 VAL A 10 -9.028 -0.998 -2.784 1.00 41.14 H new ATOM 0 HG13 VAL A 10 -7.315 -0.820 -2.337 1.00 41.14 H new ATOM 0 HG21 VAL A 10 -6.604 -3.793 -2.585 1.00 53.32 H new ATOM 0 HG22 VAL A 10 -6.108 -2.763 -1.221 1.00 53.32 H new ATOM 0 HG23 VAL A 10 -6.990 -4.279 -0.917 1.00 53.32 H new ATOM 151 N ALA A 11 -11.059 -1.770 -0.501 1.00 34.22 N ATOM 152 CA ALA A 11 -12.280 -0.988 -0.544 1.00 22.23 C ATOM 153 C ALA A 11 -12.445 -0.163 0.730 1.00 74.30 C ATOM 154 O ALA A 11 -12.678 1.039 0.645 1.00 1.25 O ATOM 155 CB ALA A 11 -13.490 -1.912 -0.748 1.00 43.41 C ATOM 0 H ALA A 11 -11.207 -2.773 -0.614 1.00 34.22 H new ATOM 0 HA ALA A 11 -12.218 -0.298 -1.385 1.00 22.23 H new ATOM 0 HB1 ALA A 11 -14.402 -1.316 -0.779 1.00 43.41 H new ATOM 0 HB2 ALA A 11 -13.379 -2.455 -1.687 1.00 43.41 H new ATOM 0 HB3 ALA A 11 -13.549 -2.622 0.077 1.00 43.41 H new ATOM 161 N ALA A 12 -12.306 -0.795 1.901 1.00 21.43 N ATOM 162 CA ALA A 12 -12.395 -0.136 3.196 1.00 53.23 C ATOM 163 C ALA A 12 -11.348 0.963 3.313 1.00 15.31 C ATOM 164 O ALA A 12 -11.669 2.093 3.648 1.00 1.42 O ATOM 165 CB ALA A 12 -12.215 -1.161 4.320 1.00 12.05 C ATOM 0 H ALA A 12 -12.125 -1.797 1.969 1.00 21.43 H new ATOM 0 HA ALA A 12 -13.381 0.319 3.286 1.00 53.23 H new ATOM 0 HB1 ALA A 12 -12.283 -0.659 5.285 1.00 12.05 H new ATOM 0 HB2 ALA A 12 -12.995 -1.919 4.250 1.00 12.05 H new ATOM 0 HB3 ALA A 12 -11.238 -1.636 4.226 1.00 12.05 H new ATOM 171 N LEU A 13 -10.090 0.644 3.042 1.00 63.13 N ATOM 172 CA LEU A 13 -8.959 1.555 3.074 1.00 31.21 C ATOM 173 C LEU A 13 -9.251 2.804 2.236 1.00 44.12 C ATOM 174 O LEU A 13 -9.124 3.912 2.742 1.00 73.14 O ATOM 175 CB LEU A 13 -7.700 0.772 2.653 1.00 41.32 C ATOM 176 CG LEU A 13 -6.531 1.599 2.102 1.00 22.54 C ATOM 177 CD1 LEU A 13 -5.990 2.603 3.123 1.00 22.24 C ATOM 178 CD2 LEU A 13 -5.424 0.607 1.718 1.00 5.44 C ATOM 0 H LEU A 13 -9.819 -0.304 2.781 1.00 63.13 H new ATOM 0 HA LEU A 13 -8.777 1.937 4.079 1.00 31.21 H new ATOM 0 HB2 LEU A 13 -7.343 0.210 3.516 1.00 41.32 H new ATOM 0 HB3 LEU A 13 -7.989 0.043 1.896 1.00 41.32 H new ATOM 0 HG LEU A 13 -6.875 2.182 1.248 1.00 22.54 H new ATOM 0 HD11 LEU A 13 -5.165 3.162 2.682 1.00 22.24 H new ATOM 0 HD12 LEU A 13 -6.783 3.294 3.410 1.00 22.24 H new ATOM 0 HD13 LEU A 13 -5.637 2.070 4.006 1.00 22.24 H new ATOM 0 HD21 LEU A 13 -4.569 1.153 1.319 1.00 5.44 H new ATOM 0 HD22 LEU A 13 -5.117 0.045 2.600 1.00 5.44 H new ATOM 0 HD23 LEU A 13 -5.799 -0.082 0.961 1.00 5.44 H new ATOM 189 N ILE A 14 -9.710 2.658 0.997 1.00 62.23 N ATOM 190 CA ILE A 14 -10.061 3.797 0.151 1.00 33.41 C ATOM 191 C ILE A 14 -11.326 4.508 0.665 1.00 63.32 C ATOM 192 O ILE A 14 -11.434 5.734 0.593 1.00 52.21 O ATOM 193 CB ILE A 14 -10.154 3.295 -1.304 1.00 72.14 C ATOM 194 CG1 ILE A 14 -8.788 2.789 -1.813 1.00 55.10 C ATOM 195 CG2 ILE A 14 -10.673 4.368 -2.269 1.00 11.22 C ATOM 196 CD1 ILE A 14 -7.673 3.836 -1.731 1.00 40.42 C ATOM 0 H ILE A 14 -9.849 1.751 0.551 1.00 62.23 H new ATOM 0 HA ILE A 14 -9.291 4.568 0.188 1.00 33.41 H new ATOM 0 HB ILE A 14 -10.870 2.473 -1.286 1.00 72.14 H new ATOM 0 HG12 ILE A 14 -8.496 1.914 -1.233 1.00 55.10 H new ATOM 0 HG13 ILE A 14 -8.894 2.464 -2.848 1.00 55.10 H new ATOM 0 HG21 ILE A 14 -10.718 3.959 -3.278 1.00 11.22 H new ATOM 0 HG22 ILE A 14 -11.670 4.683 -1.961 1.00 11.22 H new ATOM 0 HG23 ILE A 14 -10.001 5.226 -2.255 1.00 11.22 H new ATOM 0 HD11 ILE A 14 -6.743 3.408 -2.106 1.00 40.42 H new ATOM 0 HD12 ILE A 14 -7.943 4.703 -2.335 1.00 40.42 H new ATOM 0 HD13 ILE A 14 -7.538 4.144 -0.694 1.00 40.42 H new ATOM 207 N ARG A 15 -12.268 3.769 1.252 1.00 43.03 N ATOM 208 CA ARG A 15 -13.423 4.317 1.968 1.00 23.33 C ATOM 209 C ARG A 15 -13.013 5.042 3.250 1.00 62.51 C ATOM 210 O ARG A 15 -13.817 5.838 3.724 1.00 71.52 O ATOM 211 CB ARG A 15 -14.480 3.229 2.262 1.00 11.43 C ATOM 212 CG ARG A 15 -15.335 2.865 1.035 1.00 33.45 C ATOM 213 CD ARG A 15 -16.489 3.860 0.825 1.00 41.32 C ATOM 214 NE ARG A 15 -16.694 4.198 -0.593 1.00 15.05 N ATOM 215 CZ ARG A 15 -17.258 5.331 -1.032 1.00 61.40 C ATOM 216 NH1 ARG A 15 -17.973 6.104 -0.229 1.00 2.14 N ATOM 217 NH2 ARG A 15 -17.093 5.704 -2.293 1.00 74.52 N ATOM 0 H ARG A 15 -12.250 2.749 1.243 1.00 43.03 H new ATOM 0 HA ARG A 15 -13.878 5.055 1.308 1.00 23.33 H new ATOM 0 HB2 ARG A 15 -13.977 2.332 2.625 1.00 11.43 H new ATOM 0 HB3 ARG A 15 -15.134 3.574 3.063 1.00 11.43 H new ATOM 0 HG2 ARG A 15 -14.705 2.847 0.146 1.00 33.45 H new ATOM 0 HG3 ARG A 15 -15.740 1.861 1.159 1.00 33.45 H new ATOM 0 HD2 ARG A 15 -17.408 3.436 1.230 1.00 41.32 H new ATOM 0 HD3 ARG A 15 -16.284 4.772 1.386 1.00 41.32 H new ATOM 0 HE ARG A 15 -16.385 3.521 -1.291 1.00 15.05 H new ATOM 0 HH11 ARG A 15 -18.104 5.841 0.748 1.00 2.14 H new ATOM 0 HH12 ARG A 15 -18.392 6.962 -0.587 1.00 2.14 H new ATOM 0 HH21 ARG A 15 -16.538 5.129 -2.926 1.00 74.52 H new ATOM 0 HH22 ARG A 15 -17.521 6.566 -2.630 1.00 74.52 H new ATOM 228 N ARG A 16 -11.797 4.877 3.779 1.00 32.52 N ATOM 229 CA ARG A 16 -11.293 5.575 4.966 1.00 12.22 C ATOM 230 C ARG A 16 -10.337 6.713 4.621 1.00 72.14 C ATOM 231 O ARG A 16 -10.318 7.714 5.337 1.00 64.21 O ATOM 232 CB ARG A 16 -10.521 4.548 5.824 1.00 11.53 C ATOM 233 CG ARG A 16 -11.378 3.442 6.463 1.00 73.10 C ATOM 234 CD ARG A 16 -10.551 2.162 6.725 1.00 22.11 C ATOM 235 NE ARG A 16 -10.994 1.507 7.963 1.00 13.53 N ATOM 236 CZ ARG A 16 -10.785 0.257 8.382 1.00 22.11 C ATOM 237 NH1 ARG A 16 -10.178 -0.661 7.632 1.00 50.54 N ATOM 238 NH2 ARG A 16 -11.177 -0.091 9.600 1.00 65.44 N ATOM 0 H ARG A 16 -11.114 4.233 3.380 1.00 32.52 H new ATOM 0 HA ARG A 16 -12.146 6.006 5.490 1.00 12.22 H new ATOM 0 HB2 ARG A 16 -9.760 4.079 5.201 1.00 11.53 H new ATOM 0 HB3 ARG A 16 -9.999 5.083 6.617 1.00 11.53 H new ATOM 0 HG2 ARG A 16 -11.798 3.803 7.402 1.00 73.10 H new ATOM 0 HG3 ARG A 16 -12.217 3.206 5.808 1.00 73.10 H new ATOM 0 HD2 ARG A 16 -10.657 1.475 5.885 1.00 22.11 H new ATOM 0 HD3 ARG A 16 -9.493 2.414 6.799 1.00 22.11 H new ATOM 0 HE ARG A 16 -11.541 2.093 8.594 1.00 13.53 H new ATOM 0 HH11 ARG A 16 -9.852 -0.420 6.696 1.00 50.54 H new ATOM 0 HH12 ARG A 16 -10.040 -1.605 7.994 1.00 50.54 H new ATOM 0 HH21 ARG A 16 -11.632 0.593 10.204 1.00 65.44 H new ATOM 0 HH22 ARG A 16 -11.023 -1.043 9.933 1.00 65.44 H new ATOM 249 N ALA A 17 -9.520 6.583 3.577 1.00 33.13 N ATOM 250 CA ALA A 17 -8.493 7.569 3.258 1.00 31.25 C ATOM 251 C ALA A 17 -9.118 8.895 2.845 1.00 40.40 C ATOM 252 O ALA A 17 -8.867 9.921 3.476 1.00 60.20 O ATOM 253 CB ALA A 17 -7.606 7.057 2.128 1.00 11.31 C ATOM 0 H ALA A 17 -9.552 5.794 2.932 1.00 33.13 H new ATOM 0 HA ALA A 17 -7.892 7.728 4.153 1.00 31.25 H new ATOM 0 HB1 ALA A 17 -6.843 7.801 1.898 1.00 11.31 H new ATOM 0 HB2 ALA A 17 -7.126 6.128 2.435 1.00 11.31 H new ATOM 0 HB3 ALA A 17 -8.214 6.876 1.242 1.00 11.31 H new ATOM 259 N GLU A 18 -9.927 8.874 1.781 1.00 4.32 N ATOM 260 CA GLU A 18 -10.438 10.094 1.162 1.00 43.42 C ATOM 261 C GLU A 18 -11.321 10.900 2.134 1.00 64.34 C ATOM 262 O GLU A 18 -11.364 12.130 2.052 1.00 21.43 O ATOM 263 CB GLU A 18 -11.221 9.762 -0.111 1.00 40.23 C ATOM 264 CG GLU A 18 -10.407 9.332 -1.339 1.00 3.01 C ATOM 265 CD GLU A 18 -11.360 9.198 -2.532 1.00 21.11 C ATOM 266 OE1 GLU A 18 -12.077 10.184 -2.820 1.00 13.45 O ATOM 267 OE2 GLU A 18 -11.518 8.078 -3.064 1.00 40.32 O ATOM 0 H GLU A 18 -10.242 8.015 1.330 1.00 4.32 H new ATOM 0 HA GLU A 18 -9.579 10.713 0.901 1.00 43.42 H new ATOM 0 HB2 GLU A 18 -11.926 8.965 0.124 1.00 40.23 H new ATOM 0 HB3 GLU A 18 -11.809 10.638 -0.385 1.00 40.23 H new ATOM 0 HG2 GLU A 18 -9.631 10.066 -1.555 1.00 3.01 H new ATOM 0 HG3 GLU A 18 -9.905 8.384 -1.147 1.00 3.01 H new ATOM 272 N LEU A 19 -11.963 10.219 3.093 1.00 40.42 N ATOM 273 CA LEU A 19 -12.744 10.748 4.215 1.00 12.45 C ATOM 274 C LEU A 19 -11.945 11.751 5.047 1.00 2.04 C ATOM 275 O LEU A 19 -12.524 12.652 5.664 1.00 72.44 O ATOM 276 CB LEU A 19 -13.171 9.571 5.121 1.00 64.22 C ATOM 277 CG LEU A 19 -14.516 8.908 4.806 1.00 75.14 C ATOM 278 CD1 LEU A 19 -14.800 7.834 5.861 1.00 11.03 C ATOM 279 CD2 LEU A 19 -15.696 9.872 4.808 1.00 14.14 C ATOM 0 H LEU A 19 -11.947 9.199 3.103 1.00 40.42 H new ATOM 0 HA LEU A 19 -13.612 11.267 3.808 1.00 12.45 H new ATOM 0 HB2 LEU A 19 -12.396 8.806 5.072 1.00 64.22 H new ATOM 0 HB3 LEU A 19 -13.201 9.929 6.150 1.00 64.22 H new ATOM 0 HG LEU A 19 -14.424 8.499 3.800 1.00 75.14 H new ATOM 0 HD11 LEU A 19 -15.756 7.356 5.646 1.00 11.03 H new ATOM 0 HD12 LEU A 19 -14.007 7.086 5.841 1.00 11.03 H new ATOM 0 HD13 LEU A 19 -14.839 8.295 6.848 1.00 11.03 H new ATOM 0 HD21 LEU A 19 -16.611 9.327 4.577 1.00 14.14 H new ATOM 0 HD22 LEU A 19 -15.787 10.334 5.791 1.00 14.14 H new ATOM 0 HD23 LEU A 19 -15.535 10.646 4.057 1.00 14.14 H new ATOM 290 N GLY A 20 -10.619 11.619 5.039 1.00 53.43 N ATOM 291 CA GLY A 20 -9.677 12.517 5.688 1.00 42.14 C ATOM 292 C GLY A 20 -9.641 13.896 5.036 1.00 51.21 C ATOM 293 O GLY A 20 -9.186 14.849 5.662 1.00 14.52 O ATOM 0 H GLY A 20 -10.156 10.848 4.558 1.00 53.43 H new ATOM 0 HA2 GLY A 20 -9.946 12.622 6.739 1.00 42.14 H new ATOM 0 HA3 GLY A 20 -8.680 12.077 5.656 1.00 42.14 H new ATOM 297 N GLY A 21 -10.148 14.024 3.807 1.00 14.11 N ATOM 298 CA GLY A 21 -9.836 15.142 2.933 1.00 40.11 C ATOM 299 C GLY A 21 -8.465 14.883 2.327 1.00 61.13 C ATOM 300 O GLY A 21 -7.549 15.686 2.498 1.00 13.21 O ATOM 0 H GLY A 21 -10.790 13.347 3.394 1.00 14.11 H new ATOM 0 HA2 GLY A 21 -10.589 15.238 2.150 1.00 40.11 H new ATOM 0 HA3 GLY A 21 -9.837 16.077 3.493 1.00 40.11 H new ATOM 304 N ALA A 22 -8.299 13.728 1.678 1.00 71.53 N ATOM 305 CA ALA A 22 -7.100 13.373 0.936 1.00 72.22 C ATOM 306 C ALA A 22 -7.510 12.665 -0.361 1.00 11.03 C ATOM 307 O ALA A 22 -8.702 12.419 -0.575 1.00 40.32 O ATOM 308 CB ALA A 22 -6.202 12.526 1.833 1.00 4.40 C ATOM 0 H ALA A 22 -9.014 13.001 1.657 1.00 71.53 H new ATOM 0 HA ALA A 22 -6.526 14.254 0.648 1.00 72.22 H new ATOM 0 HB1 ALA A 22 -5.298 12.252 1.289 1.00 4.40 H new ATOM 0 HB2 ALA A 22 -5.932 13.097 2.721 1.00 4.40 H new ATOM 0 HB3 ALA A 22 -6.734 11.622 2.131 1.00 4.40 H new ATOM 314 N PHE A 23 -6.540 12.330 -1.215 1.00 1.11 N ATOM 315 CA PHE A 23 -6.757 11.660 -2.496 1.00 24.53 C ATOM 316 C PHE A 23 -6.183 10.258 -2.353 1.00 51.00 C ATOM 317 O PHE A 23 -5.021 10.123 -1.958 1.00 75.14 O ATOM 318 CB PHE A 23 -6.045 12.438 -3.615 1.00 33.42 C ATOM 319 CG PHE A 23 -6.494 12.168 -5.037 1.00 15.42 C ATOM 320 CD1 PHE A 23 -7.838 12.367 -5.408 1.00 40.15 C ATOM 321 CD2 PHE A 23 -5.546 11.816 -6.020 1.00 71.32 C ATOM 322 CE1 PHE A 23 -8.229 12.221 -6.749 1.00 52.15 C ATOM 323 CE2 PHE A 23 -5.940 11.671 -7.362 1.00 24.21 C ATOM 324 CZ PHE A 23 -7.279 11.887 -7.728 1.00 31.21 C ATOM 0 H PHE A 23 -5.556 12.523 -1.028 1.00 1.11 H new ATOM 0 HA PHE A 23 -7.815 11.614 -2.755 1.00 24.53 H new ATOM 0 HB2 PHE A 23 -6.168 13.503 -3.418 1.00 33.42 H new ATOM 0 HB3 PHE A 23 -4.978 12.223 -3.550 1.00 33.42 H new ATOM 0 HD1 PHE A 23 -8.570 12.633 -4.659 1.00 40.15 H new ATOM 0 HD2 PHE A 23 -4.515 11.657 -5.741 1.00 71.32 H new ATOM 0 HE1 PHE A 23 -9.262 12.366 -7.028 1.00 52.15 H new ATOM 0 HE2 PHE A 23 -5.213 11.394 -8.111 1.00 24.21 H new ATOM 0 HZ PHE A 23 -7.578 11.796 -8.762 1.00 31.21 H new ATOM 333 N ALA A 24 -6.978 9.219 -2.592 1.00 21.55 N ATOM 334 CA ALA A 24 -6.512 7.847 -2.523 1.00 51.22 C ATOM 335 C ALA A 24 -7.306 7.002 -3.502 1.00 22.32 C ATOM 336 O ALA A 24 -8.503 7.232 -3.652 1.00 22.53 O ATOM 337 CB ALA A 24 -6.702 7.303 -1.110 1.00 1.43 C ATOM 0 H ALA A 24 -7.964 9.310 -2.839 1.00 21.55 H new ATOM 0 HA ALA A 24 -5.453 7.811 -2.778 1.00 51.22 H new ATOM 0 HB1 ALA A 24 -6.350 6.272 -1.066 1.00 1.43 H new ATOM 0 HB2 ALA A 24 -6.133 7.911 -0.407 1.00 1.43 H new ATOM 0 HB3 ALA A 24 -7.759 7.337 -0.846 1.00 1.43 H new ATOM 343 N THR A 25 -6.679 5.978 -4.083 1.00 63.24 N ATOM 344 CA THR A 25 -7.371 5.042 -4.958 1.00 74.10 C ATOM 345 C THR A 25 -6.566 3.749 -5.113 1.00 21.32 C ATOM 346 O THR A 25 -5.439 3.618 -4.622 1.00 32.24 O ATOM 347 CB THR A 25 -7.724 5.723 -6.291 1.00 4.32 C ATOM 348 OG1 THR A 25 -8.714 4.969 -6.977 1.00 42.11 O ATOM 349 CG2 THR A 25 -6.491 5.946 -7.163 1.00 63.24 C ATOM 0 H THR A 25 -5.686 5.779 -3.959 1.00 63.24 H new ATOM 0 HA THR A 25 -8.318 4.746 -4.507 1.00 74.10 H new ATOM 0 HB THR A 25 -8.130 6.710 -6.068 1.00 4.32 H new ATOM 0 HG1 THR A 25 -8.934 5.411 -7.824 1.00 42.11 H new ATOM 0 HG21 THR A 25 -6.787 6.429 -8.094 1.00 63.24 H new ATOM 0 HG22 THR A 25 -5.781 6.582 -6.634 1.00 63.24 H new ATOM 0 HG23 THR A 25 -6.024 4.987 -7.385 1.00 63.24 H new ATOM 357 N VAL A 26 -7.168 2.769 -5.782 1.00 52.11 N ATOM 358 CA VAL A 26 -6.496 1.608 -6.330 1.00 15.14 C ATOM 359 C VAL A 26 -6.007 1.983 -7.730 1.00 72.32 C ATOM 360 O VAL A 26 -6.702 2.673 -8.473 1.00 73.40 O ATOM 361 CB VAL A 26 -7.463 0.407 -6.327 1.00 21.15 C ATOM 362 CG1 VAL A 26 -8.679 0.566 -7.253 1.00 72.53 C ATOM 363 CG2 VAL A 26 -6.742 -0.882 -6.721 1.00 73.33 C ATOM 0 H VAL A 26 -8.172 2.767 -5.960 1.00 52.11 H new ATOM 0 HA VAL A 26 -5.635 1.309 -5.732 1.00 15.14 H new ATOM 0 HB VAL A 26 -7.829 0.360 -5.301 1.00 21.15 H new ATOM 0 HG11 VAL A 26 -9.305 -0.324 -7.188 1.00 72.53 H new ATOM 0 HG12 VAL A 26 -9.257 1.439 -6.948 1.00 72.53 H new ATOM 0 HG13 VAL A 26 -8.339 0.697 -8.280 1.00 72.53 H new ATOM 0 HG21 VAL A 26 -7.449 -1.712 -6.710 1.00 73.33 H new ATOM 0 HG22 VAL A 26 -6.324 -0.774 -7.722 1.00 73.33 H new ATOM 0 HG23 VAL A 26 -5.938 -1.081 -6.012 1.00 73.33 H new ATOM 373 N ALA A 27 -4.827 1.486 -8.098 1.00 0.25 N ATOM 374 CA ALA A 27 -4.195 1.700 -9.393 1.00 34.13 C ATOM 375 C ALA A 27 -3.758 0.378 -10.041 1.00 75.13 C ATOM 376 O ALA A 27 -3.024 0.386 -11.030 1.00 64.24 O ATOM 377 CB ALA A 27 -3.020 2.661 -9.196 1.00 42.10 C ATOM 0 H ALA A 27 -4.267 0.902 -7.477 1.00 0.25 H new ATOM 0 HA ALA A 27 -4.913 2.141 -10.085 1.00 34.13 H new ATOM 0 HB1 ALA A 27 -2.530 2.837 -10.153 1.00 42.10 H new ATOM 0 HB2 ALA A 27 -3.386 3.607 -8.796 1.00 42.10 H new ATOM 0 HB3 ALA A 27 -2.306 2.224 -8.498 1.00 42.10 H new ATOM 383 N ARG A 28 -4.158 -0.768 -9.478 1.00 74.11 N ATOM 384 CA ARG A 28 -3.853 -2.089 -10.028 1.00 2.35 C ATOM 385 C ARG A 28 -4.825 -3.129 -9.491 1.00 74.10 C ATOM 386 O ARG A 28 -5.062 -3.141 -8.282 1.00 55.32 O ATOM 387 CB ARG A 28 -2.427 -2.459 -9.645 1.00 64.24 C ATOM 388 CG ARG A 28 -1.906 -3.727 -10.320 1.00 51.03 C ATOM 389 CD ARG A 28 -0.490 -3.527 -10.856 1.00 21.13 C ATOM 390 NE ARG A 28 -0.520 -2.750 -12.102 1.00 20.52 N ATOM 391 CZ ARG A 28 0.364 -1.838 -12.512 1.00 42.04 C ATOM 392 NH1 ARG A 28 1.441 -1.542 -11.788 1.00 52.43 N ATOM 393 NH2 ARG A 28 0.141 -1.223 -13.665 1.00 14.33 N ATOM 0 H ARG A 28 -4.708 -0.802 -8.619 1.00 74.11 H new ATOM 0 HA ARG A 28 -3.952 -2.063 -11.113 1.00 2.35 H new ATOM 0 HB2 ARG A 28 -1.768 -1.629 -9.898 1.00 64.24 H new ATOM 0 HB3 ARG A 28 -2.375 -2.589 -8.564 1.00 64.24 H new ATOM 0 HG2 ARG A 28 -1.914 -4.551 -9.607 1.00 51.03 H new ATOM 0 HG3 ARG A 28 -2.571 -4.006 -11.137 1.00 51.03 H new ATOM 0 HD2 ARG A 28 0.118 -3.011 -10.113 1.00 21.13 H new ATOM 0 HD3 ARG A 28 -0.022 -4.495 -11.035 1.00 21.13 H new ATOM 0 HE ARG A 28 -1.307 -2.928 -12.726 1.00 20.52 H new ATOM 0 HH11 ARG A 28 1.604 -2.016 -10.900 1.00 52.43 H new ATOM 0 HH12 ARG A 28 2.103 -0.841 -12.122 1.00 52.43 H new ATOM 0 HH21 ARG A 28 -0.689 -1.452 -14.213 1.00 14.33 H new ATOM 0 HH22 ARG A 28 0.799 -0.521 -14.004 1.00 14.33 H new ATOM 404 N LYS A 29 -5.333 -4.013 -10.352 1.00 61.41 N ATOM 405 CA LYS A 29 -6.263 -5.067 -9.976 1.00 63.34 C ATOM 406 C LYS A 29 -5.517 -6.388 -9.844 1.00 62.23 C ATOM 407 O LYS A 29 -5.233 -7.038 -10.854 1.00 41.43 O ATOM 408 CB LYS A 29 -7.395 -5.162 -11.015 1.00 73.13 C ATOM 409 CG LYS A 29 -8.421 -6.272 -10.716 1.00 1.25 C ATOM 410 CD LYS A 29 -9.065 -6.169 -9.324 1.00 34.41 C ATOM 411 CE LYS A 29 -9.890 -4.887 -9.181 1.00 0.23 C ATOM 412 NZ LYS A 29 -11.251 -5.053 -9.723 1.00 1.22 N ATOM 0 H LYS A 29 -5.103 -4.012 -11.346 1.00 61.41 H new ATOM 0 HA LYS A 29 -6.712 -4.833 -9.011 1.00 63.34 H new ATOM 0 HB2 LYS A 29 -7.913 -4.204 -11.063 1.00 73.13 H new ATOM 0 HB3 LYS A 29 -6.959 -5.338 -11.998 1.00 73.13 H new ATOM 0 HG2 LYS A 29 -9.206 -6.240 -11.472 1.00 1.25 H new ATOM 0 HG3 LYS A 29 -7.930 -7.241 -10.807 1.00 1.25 H new ATOM 0 HD2 LYS A 29 -9.704 -7.035 -9.153 1.00 34.41 H new ATOM 0 HD3 LYS A 29 -8.288 -6.190 -8.560 1.00 34.41 H new ATOM 0 HE2 LYS A 29 -9.948 -4.607 -8.129 1.00 0.23 H new ATOM 0 HE3 LYS A 29 -9.388 -4.071 -9.701 1.00 0.23 H new ATOM 0 HZ1 LYS A 29 -11.781 -4.165 -9.609 1.00 1.22 H new ATOM 0 HZ2 LYS A 29 -11.195 -5.296 -10.733 1.00 1.22 H new ATOM 0 HZ3 LYS A 29 -11.738 -5.815 -9.210 1.00 1.22 H new ATOM 422 N GLY A 30 -5.265 -6.809 -8.611 1.00 21.51 N ATOM 423 CA GLY A 30 -4.774 -8.143 -8.309 1.00 0.44 C ATOM 424 C GLY A 30 -5.926 -9.121 -8.121 1.00 12.25 C ATOM 425 O GLY A 30 -7.049 -8.848 -8.563 1.00 41.32 O ATOM 0 H GLY A 30 -5.398 -6.226 -7.785 1.00 21.51 H new ATOM 0 HA2 GLY A 30 -4.128 -8.488 -9.117 1.00 0.44 H new ATOM 0 HA3 GLY A 30 -4.166 -8.114 -7.405 1.00 0.44 H new ATOM 429 N ASP A 31 -5.675 -10.263 -7.468 1.00 31.54 N ATOM 430 CA ASP A 31 -6.763 -11.183 -7.121 1.00 43.02 C ATOM 431 C ASP A 31 -7.620 -10.536 -6.039 1.00 41.30 C ATOM 432 O ASP A 31 -7.094 -10.147 -4.995 1.00 24.34 O ATOM 433 CB ASP A 31 -6.309 -12.543 -6.566 1.00 40.40 C ATOM 434 CG ASP A 31 -7.362 -13.591 -6.898 1.00 20.12 C ATOM 435 OD1 ASP A 31 -8.510 -13.416 -6.429 1.00 52.22 O ATOM 436 OD2 ASP A 31 -7.039 -14.570 -7.602 1.00 34.33 O ATOM 0 H ASP A 31 -4.747 -10.567 -7.175 1.00 31.54 H new ATOM 0 HA ASP A 31 -7.294 -11.370 -8.054 1.00 43.02 H new ATOM 0 HB2 ASP A 31 -5.349 -12.824 -6.998 1.00 40.40 H new ATOM 0 HB3 ASP A 31 -6.167 -12.481 -5.487 1.00 40.40 H new ATOM 440 N ALA A 32 -8.927 -10.411 -6.244 1.00 41.30 N ATOM 441 CA ALA A 32 -9.840 -9.912 -5.227 1.00 35.41 C ATOM 442 C ALA A 32 -10.021 -10.874 -4.050 1.00 72.43 C ATOM 443 O ALA A 32 -10.502 -10.432 -3.001 1.00 73.30 O ATOM 444 CB ALA A 32 -11.182 -9.629 -5.896 1.00 64.42 C ATOM 0 H ALA A 32 -9.382 -10.654 -7.124 1.00 41.30 H new ATOM 0 HA ALA A 32 -9.412 -9.004 -4.801 1.00 35.41 H new ATOM 0 HB1 ALA A 32 -11.886 -9.253 -5.154 1.00 64.42 H new ATOM 0 HB2 ALA A 32 -11.048 -8.883 -6.680 1.00 64.42 H new ATOM 0 HB3 ALA A 32 -11.572 -10.548 -6.333 1.00 64.42 H new ATOM 450 N ARG A 33 -9.686 -12.157 -4.203 1.00 32.33 N ATOM 451 CA ARG A 33 -9.714 -13.144 -3.130 1.00 20.45 C ATOM 452 C ARG A 33 -8.355 -13.224 -2.458 1.00 24.14 C ATOM 453 O ARG A 33 -8.327 -13.220 -1.228 1.00 31.31 O ATOM 454 CB ARG A 33 -10.102 -14.538 -3.666 1.00 60.32 C ATOM 455 CG ARG A 33 -11.589 -14.892 -3.482 1.00 32.42 C ATOM 456 CD ARG A 33 -12.390 -14.942 -4.785 1.00 43.23 C ATOM 457 NE ARG A 33 -11.974 -16.064 -5.646 1.00 34.53 N ATOM 458 CZ ARG A 33 -12.429 -16.317 -6.876 1.00 31.24 C ATOM 459 NH1 ARG A 33 -13.395 -15.600 -7.430 1.00 0.12 N ATOM 460 NH2 ARG A 33 -11.944 -17.337 -7.559 1.00 53.31 N ATOM 0 H ARG A 33 -9.382 -12.543 -5.097 1.00 32.33 H new ATOM 0 HA ARG A 33 -10.464 -12.828 -2.405 1.00 20.45 H new ATOM 0 HB2 ARG A 33 -9.856 -14.589 -4.727 1.00 60.32 H new ATOM 0 HB3 ARG A 33 -9.496 -15.291 -3.162 1.00 60.32 H new ATOM 0 HG2 ARG A 33 -11.661 -15.861 -2.987 1.00 32.42 H new ATOM 0 HG3 ARG A 33 -12.045 -14.159 -2.816 1.00 32.42 H new ATOM 0 HD2 ARG A 33 -13.451 -15.036 -4.555 1.00 43.23 H new ATOM 0 HD3 ARG A 33 -12.263 -14.004 -5.325 1.00 43.23 H new ATOM 0 HE ARG A 33 -11.276 -16.705 -5.268 1.00 34.53 H new ATOM 0 HH11 ARG A 33 -13.816 -14.827 -6.915 1.00 0.12 H new ATOM 0 HH12 ARG A 33 -13.718 -15.821 -8.372 1.00 0.12 H new ATOM 0 HH21 ARG A 33 -11.223 -17.930 -7.147 1.00 53.31 H new ATOM 0 HH22 ARG A 33 -12.290 -17.532 -8.498 1.00 53.31 H new ATOM 471 N ALA A 34 -7.286 -13.407 -3.240 1.00 15.01 N ATOM 472 CA ALA A 34 -5.993 -13.874 -2.751 1.00 71.32 C ATOM 473 C ALA A 34 -4.810 -13.168 -3.404 1.00 55.33 C ATOM 474 O ALA A 34 -3.837 -13.815 -3.785 1.00 13.12 O ATOM 475 CB ALA A 34 -5.913 -15.405 -2.875 1.00 33.11 C ATOM 0 H ALA A 34 -7.299 -13.231 -4.245 1.00 15.01 H new ATOM 0 HA ALA A 34 -5.920 -13.609 -1.696 1.00 71.32 H new ATOM 0 HB1 ALA A 34 -4.946 -15.750 -2.509 1.00 33.11 H new ATOM 0 HB2 ALA A 34 -6.708 -15.860 -2.284 1.00 33.11 H new ATOM 0 HB3 ALA A 34 -6.028 -15.692 -3.920 1.00 33.11 H new ATOM 481 N GLY A 35 -4.906 -11.851 -3.559 1.00 13.33 N ATOM 482 CA GLY A 35 -3.842 -11.044 -4.136 1.00 72.23 C ATOM 483 C GLY A 35 -3.053 -10.325 -3.048 1.00 55.14 C ATOM 484 O GLY A 35 -3.607 -10.017 -1.986 1.00 33.13 O ATOM 0 H GLY A 35 -5.729 -11.313 -3.286 1.00 13.33 H new ATOM 0 HA2 GLY A 35 -3.173 -11.679 -4.717 1.00 72.23 H new ATOM 0 HA3 GLY A 35 -4.267 -10.314 -4.825 1.00 72.23 H new ATOM 488 N ALA A 36 -1.782 -10.025 -3.335 1.00 62.51 N ATOM 489 CA ALA A 36 -0.930 -9.180 -2.501 1.00 54.04 C ATOM 490 C ALA A 36 -1.341 -7.713 -2.666 1.00 51.33 C ATOM 491 O ALA A 36 -2.015 -7.370 -3.637 1.00 74.40 O ATOM 492 CB ALA A 36 0.535 -9.371 -2.915 1.00 11.12 C ATOM 0 H ALA A 36 -1.310 -10.371 -4.171 1.00 62.51 H new ATOM 0 HA ALA A 36 -1.044 -9.461 -1.454 1.00 54.04 H new ATOM 0 HB1 ALA A 36 1.173 -8.742 -2.295 1.00 11.12 H new ATOM 0 HB2 ALA A 36 0.817 -10.416 -2.783 1.00 11.12 H new ATOM 0 HB3 ALA A 36 0.657 -9.091 -3.961 1.00 11.12 H new ATOM 498 N VAL A 37 -0.881 -6.816 -1.788 1.00 1.05 N ATOM 499 CA VAL A 37 -1.204 -5.391 -1.841 1.00 74.42 C ATOM 500 C VAL A 37 0.074 -4.589 -1.588 1.00 11.33 C ATOM 501 O VAL A 37 0.742 -4.782 -0.572 1.00 22.12 O ATOM 502 CB VAL A 37 -2.316 -5.040 -0.821 1.00 22.24 C ATOM 503 CG1 VAL A 37 -2.800 -3.591 -0.997 1.00 0.04 C ATOM 504 CG2 VAL A 37 -3.549 -5.952 -0.917 1.00 62.52 C ATOM 0 H VAL A 37 -0.267 -7.064 -1.012 1.00 1.05 H new ATOM 0 HA VAL A 37 -1.592 -5.134 -2.827 1.00 74.42 H new ATOM 0 HB VAL A 37 -1.850 -5.183 0.154 1.00 22.24 H new ATOM 0 HG11 VAL A 37 -3.580 -3.377 -0.266 1.00 0.04 H new ATOM 0 HG12 VAL A 37 -1.964 -2.907 -0.847 1.00 0.04 H new ATOM 0 HG13 VAL A 37 -3.199 -3.460 -2.003 1.00 0.04 H new ATOM 0 HG21 VAL A 37 -4.286 -5.648 -0.173 1.00 62.52 H new ATOM 0 HG22 VAL A 37 -3.984 -5.872 -1.913 1.00 62.52 H new ATOM 0 HG23 VAL A 37 -3.253 -6.985 -0.733 1.00 62.52 H new ATOM 514 N LEU A 38 0.416 -3.687 -2.510 1.00 74.14 N ATOM 515 CA LEU A 38 1.340 -2.587 -2.307 1.00 41.31 C ATOM 516 C LEU A 38 0.581 -1.403 -1.756 1.00 11.24 C ATOM 517 O LEU A 38 -0.495 -1.062 -2.251 1.00 40.40 O ATOM 518 CB LEU A 38 1.972 -2.206 -3.658 1.00 52.30 C ATOM 519 CG LEU A 38 3.284 -2.937 -3.973 1.00 11.44 C ATOM 520 CD1 LEU A 38 3.468 -4.265 -3.246 1.00 3.21 C ATOM 521 CD2 LEU A 38 3.494 -3.070 -5.483 1.00 13.43 C ATOM 0 H LEU A 38 0.036 -3.711 -3.456 1.00 74.14 H new ATOM 0 HA LEU A 38 2.122 -2.880 -1.607 1.00 41.31 H new ATOM 0 HB2 LEU A 38 1.255 -2.414 -4.452 1.00 52.30 H new ATOM 0 HB3 LEU A 38 2.157 -1.132 -3.669 1.00 52.30 H new ATOM 0 HG LEU A 38 4.073 -2.301 -3.570 1.00 11.44 H new ATOM 0 HD11 LEU A 38 4.423 -4.707 -3.532 1.00 3.21 H new ATOM 0 HD12 LEU A 38 3.454 -4.095 -2.169 1.00 3.21 H new ATOM 0 HD13 LEU A 38 2.659 -4.943 -3.517 1.00 3.21 H new ATOM 0 HD21 LEU A 38 4.431 -3.592 -5.675 1.00 13.43 H new ATOM 0 HD22 LEU A 38 2.669 -3.635 -5.917 1.00 13.43 H new ATOM 0 HD23 LEU A 38 3.532 -2.078 -5.934 1.00 13.43 H new ATOM 532 N VAL A 39 1.195 -0.734 -0.790 1.00 31.51 N ATOM 533 CA VAL A 39 0.715 0.538 -0.264 1.00 70.23 C ATOM 534 C VAL A 39 1.828 1.540 -0.489 1.00 31.33 C ATOM 535 O VAL A 39 2.863 1.469 0.167 1.00 44.13 O ATOM 536 CB VAL A 39 0.315 0.408 1.217 1.00 32.34 C ATOM 537 CG1 VAL A 39 0.120 1.791 1.859 1.00 41.54 C ATOM 538 CG2 VAL A 39 -0.973 -0.414 1.339 1.00 45.10 C ATOM 0 H VAL A 39 2.051 -1.063 -0.344 1.00 31.51 H new ATOM 0 HA VAL A 39 -0.190 0.870 -0.773 1.00 70.23 H new ATOM 0 HB VAL A 39 1.120 -0.102 1.746 1.00 32.34 H new ATOM 0 HG11 VAL A 39 -0.162 1.670 2.905 1.00 41.54 H new ATOM 0 HG12 VAL A 39 1.050 2.355 1.797 1.00 41.54 H new ATOM 0 HG13 VAL A 39 -0.667 2.330 1.331 1.00 41.54 H new ATOM 0 HG21 VAL A 39 -1.250 -0.502 2.389 1.00 45.10 H new ATOM 0 HG22 VAL A 39 -1.775 0.083 0.792 1.00 45.10 H new ATOM 0 HG23 VAL A 39 -0.811 -1.408 0.922 1.00 45.10 H new ATOM 548 N LYS A 40 1.649 2.466 -1.425 1.00 52.02 N ATOM 549 CA LYS A 40 2.612 3.532 -1.646 1.00 54.21 C ATOM 550 C LYS A 40 1.974 4.801 -1.086 1.00 14.43 C ATOM 551 O LYS A 40 0.870 5.153 -1.519 1.00 54.01 O ATOM 552 CB LYS A 40 2.904 3.601 -3.152 1.00 60.55 C ATOM 553 CG LYS A 40 3.893 4.725 -3.522 1.00 74.34 C ATOM 554 CD LYS A 40 4.156 4.818 -5.040 1.00 14.13 C ATOM 555 CE LYS A 40 3.789 6.215 -5.565 1.00 41.41 C ATOM 556 NZ LYS A 40 3.085 6.169 -6.869 1.00 72.24 N ATOM 0 H LYS A 40 0.840 2.497 -2.045 1.00 52.02 H new ATOM 0 HA LYS A 40 3.570 3.378 -1.149 1.00 54.21 H new ATOM 0 HB2 LYS A 40 3.309 2.645 -3.482 1.00 60.55 H new ATOM 0 HB3 LYS A 40 1.969 3.755 -3.691 1.00 60.55 H new ATOM 0 HG2 LYS A 40 3.501 5.678 -3.167 1.00 74.34 H new ATOM 0 HG3 LYS A 40 4.837 4.556 -3.004 1.00 74.34 H new ATOM 0 HD2 LYS A 40 5.206 4.610 -5.247 1.00 14.13 H new ATOM 0 HD3 LYS A 40 3.572 4.061 -5.563 1.00 14.13 H new ATOM 0 HE2 LYS A 40 3.158 6.719 -4.833 1.00 41.41 H new ATOM 0 HE3 LYS A 40 4.696 6.810 -5.667 1.00 41.41 H new ATOM 0 HZ1 LYS A 40 2.861 7.137 -7.177 1.00 72.24 H new ATOM 0 HZ2 LYS A 40 3.695 5.713 -7.577 1.00 72.24 H new ATOM 0 HZ3 LYS A 40 2.204 5.625 -6.769 1.00 72.24 H new ATOM 566 N ALA A 41 2.619 5.460 -0.123 1.00 10.14 N ATOM 567 CA ALA A 41 2.084 6.614 0.588 1.00 10.30 C ATOM 568 C ALA A 41 3.026 7.797 0.389 1.00 72.05 C ATOM 569 O ALA A 41 4.241 7.662 0.552 1.00 30.14 O ATOM 570 CB ALA A 41 1.904 6.279 2.074 1.00 54.41 C ATOM 0 H ALA A 41 3.553 5.196 0.190 1.00 10.14 H new ATOM 0 HA ALA A 41 1.104 6.879 0.192 1.00 10.30 H new ATOM 0 HB1 ALA A 41 1.504 7.148 2.597 1.00 54.41 H new ATOM 0 HB2 ALA A 41 1.212 5.443 2.177 1.00 54.41 H new ATOM 0 HB3 ALA A 41 2.868 6.008 2.505 1.00 54.41 H new ATOM 576 N VAL A 42 2.467 8.950 0.030 1.00 52.25 N ATOM 577 CA VAL A 42 3.220 10.084 -0.475 1.00 73.32 C ATOM 578 C VAL A 42 2.789 11.310 0.333 1.00 34.33 C ATOM 579 O VAL A 42 1.642 11.760 0.220 1.00 35.41 O ATOM 580 CB VAL A 42 3.000 10.227 -2.000 1.00 55.35 C ATOM 581 CG1 VAL A 42 4.179 10.980 -2.626 1.00 62.41 C ATOM 582 CG2 VAL A 42 2.880 8.888 -2.758 1.00 41.31 C ATOM 0 H VAL A 42 1.463 9.120 0.084 1.00 52.25 H new ATOM 0 HA VAL A 42 4.295 9.956 -0.350 1.00 73.32 H new ATOM 0 HB VAL A 42 2.054 10.759 -2.098 1.00 55.35 H new ATOM 0 HG11 VAL A 42 4.019 11.078 -3.700 1.00 62.41 H new ATOM 0 HG12 VAL A 42 4.257 11.971 -2.179 1.00 62.41 H new ATOM 0 HG13 VAL A 42 5.101 10.427 -2.445 1.00 62.41 H new ATOM 0 HG21 VAL A 42 2.728 9.083 -3.819 1.00 41.31 H new ATOM 0 HG22 VAL A 42 3.794 8.310 -2.623 1.00 41.31 H new ATOM 0 HG23 VAL A 42 2.033 8.324 -2.368 1.00 41.31 H new ATOM 592 N ASP A 43 3.681 11.786 1.202 1.00 65.31 N ATOM 593 CA ASP A 43 3.484 12.960 2.050 1.00 72.24 C ATOM 594 C ASP A 43 3.599 14.213 1.193 1.00 52.32 C ATOM 595 O ASP A 43 4.697 14.540 0.723 1.00 54.14 O ATOM 596 CB ASP A 43 4.548 12.995 3.160 1.00 21.01 C ATOM 597 CG ASP A 43 4.292 14.092 4.192 1.00 1.22 C ATOM 598 OD1 ASP A 43 4.076 15.251 3.786 1.00 22.32 O ATOM 599 OD2 ASP A 43 4.365 13.770 5.395 1.00 14.53 O ATOM 0 H ASP A 43 4.592 11.349 1.339 1.00 65.31 H new ATOM 0 HA ASP A 43 2.497 12.913 2.511 1.00 72.24 H new ATOM 0 HB2 ASP A 43 4.573 12.028 3.663 1.00 21.01 H new ATOM 0 HB3 ASP A 43 5.530 13.147 2.711 1.00 21.01 H new ATOM 603 N ARG A 44 2.482 14.908 0.951 1.00 30.00 N ATOM 604 CA ARG A 44 2.533 16.119 0.138 1.00 22.22 C ATOM 605 C ARG A 44 3.283 17.243 0.842 1.00 23.02 C ATOM 606 O ARG A 44 3.949 18.021 0.163 1.00 33.33 O ATOM 607 CB ARG A 44 1.124 16.630 -0.227 1.00 71.15 C ATOM 608 CG ARG A 44 0.528 15.949 -1.462 1.00 11.33 C ATOM 609 CD ARG A 44 1.300 16.278 -2.749 1.00 15.01 C ATOM 610 NE ARG A 44 0.602 17.216 -3.639 1.00 20.34 N ATOM 611 CZ ARG A 44 1.038 17.573 -4.854 1.00 64.25 C ATOM 612 NH1 ARG A 44 2.271 17.289 -5.256 1.00 11.24 N ATOM 613 NH2 ARG A 44 0.220 18.218 -5.672 1.00 0.20 N ATOM 0 H ARG A 44 1.556 14.658 1.298 1.00 30.00 H new ATOM 0 HA ARG A 44 3.064 15.841 -0.772 1.00 22.22 H new ATOM 0 HB2 ARG A 44 0.458 16.473 0.622 1.00 71.15 H new ATOM 0 HB3 ARG A 44 1.170 17.705 -0.401 1.00 71.15 H new ATOM 0 HG2 ARG A 44 0.524 14.870 -1.311 1.00 11.33 H new ATOM 0 HG3 ARG A 44 -0.511 16.258 -1.577 1.00 11.33 H new ATOM 0 HD2 ARG A 44 2.269 16.699 -2.482 1.00 15.01 H new ATOM 0 HD3 ARG A 44 1.493 15.353 -3.292 1.00 15.01 H new ATOM 0 HE ARG A 44 -0.273 17.623 -3.309 1.00 20.34 H new ATOM 0 HH11 ARG A 44 2.907 16.789 -4.635 1.00 11.24 H new ATOM 0 HH12 ARG A 44 2.582 17.571 -6.186 1.00 11.24 H new ATOM 0 HH21 ARG A 44 -0.730 18.438 -5.374 1.00 0.20 H new ATOM 0 HH22 ARG A 44 0.541 18.495 -6.600 1.00 0.20 H new ATOM 624 N ARG A 45 3.104 17.414 2.151 1.00 70.05 N ATOM 625 CA ARG A 45 3.519 18.633 2.838 1.00 14.23 C ATOM 626 C ARG A 45 5.022 18.626 3.044 1.00 3.42 C ATOM 627 O ARG A 45 5.674 19.609 2.691 1.00 63.01 O ATOM 628 CB ARG A 45 2.738 18.772 4.153 1.00 51.15 C ATOM 629 CG ARG A 45 1.336 19.312 3.859 1.00 10.32 C ATOM 630 CD ARG A 45 0.434 19.237 5.088 1.00 62.45 C ATOM 631 NE ARG A 45 0.666 20.305 6.067 1.00 70.23 N ATOM 632 CZ ARG A 45 -0.008 21.456 6.155 1.00 42.54 C ATOM 633 NH1 ARG A 45 -0.740 21.903 5.135 1.00 30.24 N ATOM 634 NH2 ARG A 45 0.059 22.141 7.290 1.00 3.30 N ATOM 0 H ARG A 45 2.672 16.718 2.759 1.00 70.05 H new ATOM 0 HA ARG A 45 3.288 19.507 2.230 1.00 14.23 H new ATOM 0 HB2 ARG A 45 2.670 17.805 4.652 1.00 51.15 H new ATOM 0 HB3 ARG A 45 3.263 19.444 4.831 1.00 51.15 H new ATOM 0 HG2 ARG A 45 1.407 20.346 3.522 1.00 10.32 H new ATOM 0 HG3 ARG A 45 0.890 18.742 3.044 1.00 10.32 H new ATOM 0 HD2 ARG A 45 -0.606 19.275 4.765 1.00 62.45 H new ATOM 0 HD3 ARG A 45 0.582 18.273 5.576 1.00 62.45 H new ATOM 0 HE ARG A 45 1.413 20.155 6.745 1.00 70.23 H new ATOM 0 HH11 ARG A 45 -0.792 21.365 4.270 1.00 30.24 H new ATOM 0 HH12 ARG A 45 -1.248 22.783 5.219 1.00 30.24 H new ATOM 0 HH21 ARG A 45 0.615 21.786 8.068 1.00 3.30 H new ATOM 0 HH22 ARG A 45 -0.446 23.022 7.384 1.00 3.30 H new ATOM 645 N GLU A 46 5.573 17.553 3.596 1.00 2.11 N ATOM 646 CA GLU A 46 7.010 17.378 3.750 1.00 13.24 C ATOM 647 C GLU A 46 7.660 17.085 2.402 1.00 4.44 C ATOM 648 O GLU A 46 8.781 17.530 2.151 1.00 43.45 O ATOM 649 CB GLU A 46 7.307 16.245 4.738 1.00 41.35 C ATOM 650 CG GLU A 46 6.744 16.551 6.134 1.00 5.30 C ATOM 651 CD GLU A 46 7.214 15.542 7.179 1.00 61.24 C ATOM 652 OE1 GLU A 46 8.426 15.230 7.253 1.00 72.32 O ATOM 653 OE2 GLU A 46 6.414 15.132 8.057 1.00 44.24 O ATOM 0 H GLU A 46 5.027 16.770 3.954 1.00 2.11 H new ATOM 0 HA GLU A 46 7.429 18.304 4.144 1.00 13.24 H new ATOM 0 HB2 GLU A 46 6.876 15.315 4.367 1.00 41.35 H new ATOM 0 HB3 GLU A 46 8.384 16.093 4.805 1.00 41.35 H new ATOM 0 HG2 GLU A 46 7.050 17.553 6.436 1.00 5.30 H new ATOM 0 HG3 GLU A 46 5.655 16.549 6.093 1.00 5.30 H new ATOM 658 N GLY A 47 6.959 16.364 1.522 1.00 53.32 N ATOM 659 CA GLY A 47 7.520 15.903 0.263 1.00 52.54 C ATOM 660 C GLY A 47 8.301 14.600 0.432 1.00 22.43 C ATOM 661 O GLY A 47 9.235 14.360 -0.331 1.00 41.45 O ATOM 0 H GLY A 47 5.988 16.087 1.669 1.00 53.32 H new ATOM 0 HA2 GLY A 47 6.718 15.755 -0.460 1.00 52.54 H new ATOM 0 HA3 GLY A 47 8.178 16.671 -0.144 1.00 52.54 H new ATOM 665 N THR A 48 7.958 13.776 1.427 1.00 5.14 N ATOM 666 CA THR A 48 8.577 12.472 1.630 1.00 42.54 C ATOM 667 C THR A 48 7.687 11.407 1.021 1.00 32.40 C ATOM 668 O THR A 48 6.510 11.303 1.375 1.00 33.40 O ATOM 669 CB THR A 48 8.813 12.165 3.114 1.00 63.14 C ATOM 670 OG1 THR A 48 7.645 12.337 3.896 1.00 71.24 O ATOM 671 CG2 THR A 48 9.927 13.036 3.674 1.00 63.11 C ATOM 0 H THR A 48 7.239 14.000 2.115 1.00 5.14 H new ATOM 0 HA THR A 48 9.553 12.481 1.145 1.00 42.54 H new ATOM 0 HB THR A 48 9.102 11.115 3.169 1.00 63.14 H new ATOM 0 HG1 THR A 48 7.896 12.603 4.805 1.00 71.24 H new ATOM 0 HG21 THR A 48 10.077 12.801 4.728 1.00 63.11 H new ATOM 0 HG22 THR A 48 10.849 12.845 3.125 1.00 63.11 H new ATOM 0 HG23 THR A 48 9.654 14.086 3.571 1.00 63.11 H new ATOM 679 N ALA A 49 8.253 10.578 0.161 1.00 54.51 N ATOM 680 CA ALA A 49 7.549 9.465 -0.443 1.00 10.54 C ATOM 681 C ALA A 49 8.069 8.164 0.174 1.00 50.34 C ATOM 682 O ALA A 49 9.250 8.061 0.515 1.00 51.31 O ATOM 683 CB ALA A 49 7.737 9.575 -1.955 1.00 55.35 C ATOM 0 H ALA A 49 9.224 10.661 -0.139 1.00 54.51 H new ATOM 0 HA ALA A 49 6.476 9.476 -0.251 1.00 10.54 H new ATOM 0 HB1 ALA A 49 7.219 8.751 -2.447 1.00 55.35 H new ATOM 0 HB2 ALA A 49 7.326 10.522 -2.305 1.00 55.35 H new ATOM 0 HB3 ALA A 49 8.800 9.530 -2.194 1.00 55.35 H new ATOM 689 N ARG A 50 7.192 7.176 0.369 1.00 45.44 N ATOM 690 CA ARG A 50 7.541 5.890 0.982 1.00 65.11 C ATOM 691 C ARG A 50 6.644 4.785 0.430 1.00 61.01 C ATOM 692 O ARG A 50 5.480 5.032 0.108 1.00 50.44 O ATOM 693 CB ARG A 50 7.490 5.988 2.522 1.00 33.13 C ATOM 694 CG ARG A 50 6.305 6.777 3.116 1.00 10.24 C ATOM 695 CD ARG A 50 6.402 6.805 4.652 1.00 2.43 C ATOM 696 NE ARG A 50 5.630 7.877 5.313 1.00 1.24 N ATOM 697 CZ ARG A 50 5.996 9.159 5.466 1.00 24.02 C ATOM 698 NH1 ARG A 50 7.062 9.636 4.830 1.00 33.21 N ATOM 699 NH2 ARG A 50 5.299 9.958 6.268 1.00 41.43 N ATOM 0 H ARG A 50 6.210 7.246 0.103 1.00 45.44 H new ATOM 0 HA ARG A 50 8.567 5.631 0.722 1.00 65.11 H new ATOM 0 HB2 ARG A 50 7.467 4.977 2.929 1.00 33.13 H new ATOM 0 HB3 ARG A 50 8.416 6.449 2.867 1.00 33.13 H new ATOM 0 HG2 ARG A 50 6.304 7.795 2.726 1.00 10.24 H new ATOM 0 HG3 ARG A 50 5.364 6.318 2.812 1.00 10.24 H new ATOM 0 HD2 ARG A 50 6.063 5.844 5.039 1.00 2.43 H new ATOM 0 HD3 ARG A 50 7.450 6.909 4.932 1.00 2.43 H new ATOM 0 HE ARG A 50 4.721 7.615 5.694 1.00 1.24 H new ATOM 0 HH11 ARG A 50 7.608 9.026 4.221 1.00 33.21 H new ATOM 0 HH12 ARG A 50 7.334 10.612 4.951 1.00 33.21 H new ATOM 0 HH21 ARG A 50 4.486 9.597 6.767 1.00 41.43 H new ATOM 0 HH22 ARG A 50 5.577 10.932 6.384 1.00 41.43 H new ATOM 710 N LEU A 51 7.166 3.561 0.315 1.00 61.05 N ATOM 711 CA LEU A 51 6.479 2.464 -0.375 1.00 31.23 C ATOM 712 C LEU A 51 6.564 1.198 0.449 1.00 25.30 C ATOM 713 O LEU A 51 7.660 0.719 0.736 1.00 3.53 O ATOM 714 CB LEU A 51 7.034 2.246 -1.797 1.00 24.14 C ATOM 715 CG LEU A 51 5.951 1.817 -2.787 1.00 22.51 C ATOM 716 CD1 LEU A 51 6.378 2.006 -4.234 1.00 53.23 C ATOM 717 CD2 LEU A 51 5.507 0.373 -2.689 1.00 2.12 C ATOM 0 H LEU A 51 8.076 3.302 0.697 1.00 61.05 H new ATOM 0 HA LEU A 51 5.430 2.737 -0.485 1.00 31.23 H new ATOM 0 HB2 LEU A 51 7.498 3.168 -2.148 1.00 24.14 H new ATOM 0 HB3 LEU A 51 7.816 1.487 -1.766 1.00 24.14 H new ATOM 0 HG LEU A 51 5.125 2.469 -2.503 1.00 22.51 H new ATOM 0 HD11 LEU A 51 5.573 1.686 -4.896 1.00 53.23 H new ATOM 0 HD12 LEU A 51 6.599 3.058 -4.414 1.00 53.23 H new ATOM 0 HD13 LEU A 51 7.269 1.409 -4.431 1.00 53.23 H new ATOM 0 HD21 LEU A 51 4.737 0.177 -3.436 1.00 2.12 H new ATOM 0 HD22 LEU A 51 6.360 -0.283 -2.866 1.00 2.12 H new ATOM 0 HD23 LEU A 51 5.104 0.183 -1.694 1.00 2.12 H new ATOM 728 N PHE A 52 5.409 0.665 0.829 1.00 41.43 N ATOM 729 CA PHE A 52 5.308 -0.486 1.703 1.00 10.20 C ATOM 730 C PHE A 52 4.838 -1.675 0.879 1.00 23.32 C ATOM 731 O PHE A 52 4.028 -1.541 -0.045 1.00 63.31 O ATOM 732 CB PHE A 52 4.309 -0.188 2.823 1.00 25.24 C ATOM 733 CG PHE A 52 4.734 0.975 3.687 1.00 42.23 C ATOM 734 CD1 PHE A 52 5.628 0.758 4.750 1.00 32.42 C ATOM 735 CD2 PHE A 52 4.278 2.276 3.401 1.00 53.14 C ATOM 736 CE1 PHE A 52 6.045 1.839 5.540 1.00 50.55 C ATOM 737 CE2 PHE A 52 4.686 3.354 4.203 1.00 73.35 C ATOM 738 CZ PHE A 52 5.551 3.129 5.289 1.00 4.13 C ATOM 0 H PHE A 52 4.504 1.030 0.531 1.00 41.43 H new ATOM 0 HA PHE A 52 6.276 -0.711 2.151 1.00 10.20 H new ATOM 0 HB2 PHE A 52 3.333 0.026 2.387 1.00 25.24 H new ATOM 0 HB3 PHE A 52 4.192 -1.075 3.446 1.00 25.24 H new ATOM 0 HD1 PHE A 52 5.992 -0.237 4.957 1.00 32.42 H new ATOM 0 HD2 PHE A 52 3.615 2.445 2.565 1.00 53.14 H new ATOM 0 HE1 PHE A 52 6.748 1.679 6.344 1.00 50.55 H new ATOM 0 HE2 PHE A 52 4.337 4.353 3.987 1.00 73.35 H new ATOM 0 HZ PHE A 52 5.836 3.950 5.931 1.00 4.13 H new ATOM 747 N SER A 53 5.302 -2.858 1.258 1.00 51.52 N ATOM 748 CA SER A 53 4.944 -4.112 0.639 1.00 43.53 C ATOM 749 C SER A 53 4.535 -5.059 1.754 1.00 62.00 C ATOM 750 O SER A 53 5.116 -5.036 2.841 1.00 14.52 O ATOM 751 CB SER A 53 6.148 -4.630 -0.155 1.00 71.03 C ATOM 752 OG SER A 53 5.770 -5.112 -1.422 1.00 43.31 O ATOM 0 H SER A 53 5.959 -2.967 2.031 1.00 51.52 H new ATOM 0 HA SER A 53 4.114 -4.011 -0.061 1.00 43.53 H new ATOM 0 HB2 SER A 53 6.877 -3.829 -0.274 1.00 71.03 H new ATOM 0 HB3 SER A 53 6.638 -5.426 0.406 1.00 71.03 H new ATOM 0 HG SER A 53 6.570 -5.252 -1.971 1.00 43.31 H new ATOM 757 N GLU A 54 3.524 -5.875 1.477 1.00 14.43 N ATOM 758 CA GLU A 54 3.120 -6.926 2.384 1.00 4.42 C ATOM 759 C GLU A 54 4.176 -8.040 2.368 1.00 10.54 C ATOM 760 O GLU A 54 4.833 -8.285 1.346 1.00 22.43 O ATOM 761 CB GLU A 54 1.686 -7.366 2.046 1.00 31.44 C ATOM 762 CG GLU A 54 1.539 -8.158 0.742 1.00 4.11 C ATOM 763 CD GLU A 54 1.600 -9.678 0.932 1.00 2.11 C ATOM 764 OE1 GLU A 54 2.019 -10.172 2.003 1.00 21.44 O ATOM 765 OE2 GLU A 54 1.054 -10.409 0.084 1.00 50.32 O ATOM 0 H GLU A 54 2.970 -5.822 0.623 1.00 14.43 H new ATOM 0 HA GLU A 54 3.078 -6.583 3.418 1.00 4.42 H new ATOM 0 HB2 GLU A 54 1.306 -7.974 2.867 1.00 31.44 H new ATOM 0 HB3 GLU A 54 1.055 -6.479 1.987 1.00 31.44 H new ATOM 0 HG2 GLU A 54 0.590 -7.897 0.274 1.00 4.11 H new ATOM 0 HG3 GLU A 54 2.327 -7.855 0.053 1.00 4.11 H new ATOM 770 N ALA A 55 4.344 -8.687 3.516 1.00 63.04 N ATOM 771 CA ALA A 55 5.161 -9.871 3.743 1.00 62.00 C ATOM 772 C ALA A 55 4.538 -10.642 4.913 1.00 10.43 C ATOM 773 O ALA A 55 3.761 -10.059 5.674 1.00 42.21 O ATOM 774 CB ALA A 55 6.587 -9.432 4.088 1.00 70.22 C ATOM 0 H ALA A 55 3.881 -8.376 4.370 1.00 63.04 H new ATOM 0 HA ALA A 55 5.199 -10.506 2.858 1.00 62.00 H new ATOM 0 HB1 ALA A 55 7.207 -10.312 4.260 1.00 70.22 H new ATOM 0 HB2 ALA A 55 7.000 -8.853 3.262 1.00 70.22 H new ATOM 0 HB3 ALA A 55 6.571 -8.818 4.988 1.00 70.22 H new ATOM 780 N THR A 56 4.896 -11.914 5.109 1.00 72.04 N ATOM 781 CA THR A 56 4.376 -12.746 6.199 1.00 33.03 C ATOM 782 C THR A 56 5.513 -13.464 6.916 1.00 70.20 C ATOM 783 O THR A 56 6.418 -14.001 6.273 1.00 3.13 O ATOM 784 CB THR A 56 3.336 -13.758 5.688 1.00 13.41 C ATOM 785 OG1 THR A 56 3.642 -14.226 4.388 1.00 31.32 O ATOM 786 CG2 THR A 56 1.923 -13.178 5.714 1.00 14.12 C ATOM 0 H THR A 56 5.562 -12.401 4.509 1.00 72.04 H new ATOM 0 HA THR A 56 3.877 -12.087 6.909 1.00 33.03 H new ATOM 0 HB THR A 56 3.375 -14.606 6.371 1.00 13.41 H new ATOM 0 HG1 THR A 56 2.958 -14.867 4.102 1.00 31.32 H new ATOM 0 HG21 THR A 56 1.217 -13.923 5.346 1.00 14.12 H new ATOM 0 HG22 THR A 56 1.661 -12.904 6.736 1.00 14.12 H new ATOM 0 HG23 THR A 56 1.881 -12.293 5.079 1.00 14.12 H new ATOM 794 N ARG A 57 5.473 -13.497 8.256 1.00 45.41 N ATOM 795 CA ARG A 57 6.641 -13.894 9.055 1.00 3.51 C ATOM 796 C ARG A 57 7.135 -15.331 8.882 1.00 11.15 C ATOM 797 O ARG A 57 8.229 -15.672 9.327 1.00 34.02 O ATOM 798 CB ARG A 57 6.430 -13.636 10.545 1.00 10.31 C ATOM 799 CG ARG A 57 5.365 -14.522 11.190 1.00 13.32 C ATOM 800 CD ARG A 57 5.701 -14.942 12.615 1.00 11.42 C ATOM 801 NE ARG A 57 5.896 -13.836 13.550 1.00 30.43 N ATOM 802 CZ ARG A 57 6.032 -13.999 14.866 1.00 34.34 C ATOM 803 NH1 ARG A 57 6.093 -15.216 15.403 1.00 25.33 N ATOM 804 NH2 ARG A 57 6.135 -12.937 15.649 1.00 64.24 N ATOM 0 H ARG A 57 4.649 -13.255 8.807 1.00 45.41 H new ATOM 0 HA ARG A 57 7.422 -13.253 8.646 1.00 3.51 H new ATOM 0 HB2 ARG A 57 7.376 -13.786 11.066 1.00 10.31 H new ATOM 0 HB3 ARG A 57 6.151 -12.592 10.685 1.00 10.31 H new ATOM 0 HG2 ARG A 57 4.414 -13.989 11.192 1.00 13.32 H new ATOM 0 HG3 ARG A 57 5.229 -15.415 10.580 1.00 13.32 H new ATOM 0 HD2 ARG A 57 4.900 -15.579 12.990 1.00 11.42 H new ATOM 0 HD3 ARG A 57 6.607 -15.548 12.596 1.00 11.42 H new ATOM 0 HE ARG A 57 5.930 -12.888 13.175 1.00 30.43 H new ATOM 0 HH11 ARG A 57 6.036 -16.041 14.805 1.00 25.33 H new ATOM 0 HH12 ARG A 57 6.197 -15.324 16.412 1.00 25.33 H new ATOM 0 HH21 ARG A 57 6.110 -12.001 15.245 1.00 64.24 H new ATOM 0 HH22 ARG A 57 6.239 -13.055 16.657 1.00 64.24 H new ATOM 815 N GLY A 58 6.268 -16.190 8.372 1.00 61.22 N ATOM 816 CA GLY A 58 6.413 -17.638 8.354 1.00 63.43 C ATOM 817 C GLY A 58 5.169 -18.259 8.949 1.00 21.02 C ATOM 818 O GLY A 58 4.423 -18.921 8.236 1.00 21.21 O ATOM 0 H GLY A 58 5.399 -15.881 7.937 1.00 61.22 H new ATOM 0 HA2 GLY A 58 6.559 -17.990 7.333 1.00 63.43 H new ATOM 0 HA3 GLY A 58 7.293 -17.936 8.923 1.00 63.43 H new ATOM 822 N ASP A 59 4.859 -17.920 10.203 1.00 32.31 N ATOM 823 CA ASP A 59 3.620 -18.345 10.871 1.00 50.30 C ATOM 824 C ASP A 59 2.370 -17.735 10.216 1.00 72.20 C ATOM 825 O ASP A 59 1.251 -18.071 10.595 1.00 24.15 O ATOM 826 CB ASP A 59 3.594 -17.976 12.363 1.00 2.21 C ATOM 827 CG ASP A 59 4.799 -18.396 13.205 1.00 64.20 C ATOM 828 OD1 ASP A 59 5.327 -19.519 12.995 1.00 52.33 O ATOM 829 OD2 ASP A 59 5.209 -17.633 14.101 1.00 34.02 O ATOM 0 H ASP A 59 5.461 -17.341 10.788 1.00 32.31 H new ATOM 0 HA ASP A 59 3.605 -19.430 10.765 1.00 50.30 H new ATOM 0 HB2 ASP A 59 3.486 -16.894 12.442 1.00 2.21 H new ATOM 0 HB3 ASP A 59 2.701 -18.418 12.805 1.00 2.21 H new ATOM 833 N GLY A 60 2.567 -16.810 9.270 1.00 25.24 N ATOM 834 CA GLY A 60 1.528 -16.140 8.507 1.00 41.40 C ATOM 835 C GLY A 60 1.177 -14.756 9.048 1.00 25.22 C ATOM 836 O GLY A 60 0.173 -14.199 8.613 1.00 51.40 O ATOM 0 H GLY A 60 3.503 -16.499 9.009 1.00 25.24 H new ATOM 0 HA2 GLY A 60 1.852 -16.046 7.471 1.00 41.40 H new ATOM 0 HA3 GLY A 60 0.631 -16.760 8.506 1.00 41.40 H new ATOM 840 N GLU A 61 1.963 -14.182 9.967 1.00 1.43 N ATOM 841 CA GLU A 61 1.619 -12.902 10.565 1.00 21.01 C ATOM 842 C GLU A 61 2.053 -11.854 9.548 1.00 25.12 C ATOM 843 O GLU A 61 3.237 -11.831 9.188 1.00 13.54 O ATOM 844 CB GLU A 61 2.341 -12.769 11.913 1.00 14.22 C ATOM 845 CG GLU A 61 1.618 -11.870 12.896 1.00 74.12 C ATOM 846 CD GLU A 61 2.384 -11.855 14.221 1.00 22.15 C ATOM 847 OE1 GLU A 61 2.258 -12.824 15.008 1.00 3.33 O ATOM 848 OE2 GLU A 61 3.173 -10.918 14.470 1.00 43.22 O ATOM 0 H GLU A 61 2.835 -14.587 10.306 1.00 1.43 H new ATOM 0 HA GLU A 61 0.556 -12.789 10.780 1.00 21.01 H new ATOM 0 HB2 GLU A 61 2.457 -13.759 12.354 1.00 14.22 H new ATOM 0 HB3 GLU A 61 3.344 -12.377 11.743 1.00 14.22 H new ATOM 0 HG2 GLU A 61 1.542 -10.859 12.495 1.00 74.12 H new ATOM 0 HG3 GLU A 61 0.601 -12.228 13.054 1.00 74.12 H new ATOM 853 N ARG A 62 1.103 -11.105 8.985 1.00 4.51 N ATOM 854 CA ARG A 62 1.379 -10.176 7.895 1.00 72.04 C ATOM 855 C ARG A 62 1.789 -8.820 8.464 1.00 10.43 C ATOM 856 O ARG A 62 1.269 -8.404 9.502 1.00 11.41 O ATOM 857 CB ARG A 62 0.156 -10.090 6.972 1.00 33.01 C ATOM 858 CG ARG A 62 0.427 -9.293 5.690 1.00 4.34 C ATOM 859 CD ARG A 62 -0.719 -9.412 4.677 1.00 10.43 C ATOM 860 NE ARG A 62 -0.341 -10.235 3.515 1.00 64.11 N ATOM 861 CZ ARG A 62 -0.971 -11.299 3.009 1.00 70.44 C ATOM 862 NH1 ARG A 62 -1.847 -12.003 3.709 1.00 72.44 N ATOM 863 NH2 ARG A 62 -0.702 -11.711 1.777 1.00 45.34 N ATOM 0 H ARG A 62 0.125 -11.127 9.273 1.00 4.51 H new ATOM 0 HA ARG A 62 2.214 -10.533 7.292 1.00 72.04 H new ATOM 0 HB2 ARG A 62 -0.163 -11.098 6.706 1.00 33.01 H new ATOM 0 HB3 ARG A 62 -0.669 -9.627 7.513 1.00 33.01 H new ATOM 0 HG2 ARG A 62 0.578 -8.243 5.942 1.00 4.34 H new ATOM 0 HG3 ARG A 62 1.351 -9.647 5.233 1.00 4.34 H new ATOM 0 HD2 ARG A 62 -1.590 -9.850 5.164 1.00 10.43 H new ATOM 0 HD3 ARG A 62 -1.009 -8.417 4.339 1.00 10.43 H new ATOM 0 HE ARG A 62 0.514 -9.956 3.034 1.00 64.11 H new ATOM 0 HH11 ARG A 62 -2.062 -11.739 4.671 1.00 72.44 H new ATOM 0 HH12 ARG A 62 -2.307 -12.809 3.287 1.00 72.44 H new ATOM 0 HH21 ARG A 62 -0.012 -11.215 1.213 1.00 45.34 H new ATOM 0 HH22 ARG A 62 -1.185 -12.524 1.394 1.00 45.34 H new ATOM 874 N PHE A 63 2.694 -8.128 7.777 1.00 73.44 N ATOM 875 CA PHE A 63 3.289 -6.869 8.223 1.00 21.01 C ATOM 876 C PHE A 63 3.465 -5.901 7.044 1.00 72.33 C ATOM 877 O PHE A 63 3.249 -6.295 5.890 1.00 70.42 O ATOM 878 CB PHE A 63 4.590 -7.168 8.993 1.00 53.42 C ATOM 879 CG PHE A 63 5.736 -7.860 8.261 1.00 12.43 C ATOM 880 CD1 PHE A 63 5.676 -9.251 8.041 1.00 11.44 C ATOM 881 CD2 PHE A 63 6.912 -7.158 7.908 1.00 65.30 C ATOM 882 CE1 PHE A 63 6.762 -9.931 7.465 1.00 21.11 C ATOM 883 CE2 PHE A 63 8.014 -7.856 7.377 1.00 14.22 C ATOM 884 CZ PHE A 63 7.941 -9.238 7.149 1.00 31.14 C ATOM 0 H PHE A 63 3.044 -8.435 6.870 1.00 73.44 H new ATOM 0 HA PHE A 63 2.622 -6.356 8.916 1.00 21.01 H new ATOM 0 HB2 PHE A 63 4.969 -6.222 9.380 1.00 53.42 H new ATOM 0 HB3 PHE A 63 4.330 -7.783 9.854 1.00 53.42 H new ATOM 0 HD1 PHE A 63 4.787 -9.799 8.318 1.00 11.44 H new ATOM 0 HD2 PHE A 63 6.965 -6.088 8.045 1.00 65.30 H new ATOM 0 HE1 PHE A 63 6.690 -10.990 7.265 1.00 21.11 H new ATOM 0 HE2 PHE A 63 8.923 -7.322 7.143 1.00 14.22 H new ATOM 0 HZ PHE A 63 8.787 -9.766 6.733 1.00 31.14 H new ATOM 893 N TRP A 64 3.817 -4.640 7.316 1.00 14.52 N ATOM 894 CA TRP A 64 4.093 -3.603 6.325 1.00 4.15 C ATOM 895 C TRP A 64 5.529 -3.129 6.453 1.00 63.44 C ATOM 896 O TRP A 64 5.826 -2.081 7.037 1.00 53.44 O ATOM 897 CB TRP A 64 3.135 -2.425 6.470 1.00 65.42 C ATOM 898 CG TRP A 64 1.739 -2.731 6.088 1.00 14.51 C ATOM 899 CD1 TRP A 64 0.707 -2.870 6.940 1.00 10.12 C ATOM 900 CD2 TRP A 64 1.214 -2.980 4.758 1.00 53.34 C ATOM 901 NE1 TRP A 64 -0.431 -3.166 6.225 1.00 21.01 N ATOM 902 CE2 TRP A 64 -0.191 -3.187 4.867 1.00 21.42 C ATOM 903 CE3 TRP A 64 1.797 -3.102 3.483 1.00 52.40 C ATOM 904 CZ2 TRP A 64 -0.988 -3.435 3.742 1.00 1.45 C ATOM 905 CZ3 TRP A 64 1.008 -3.355 2.351 1.00 61.00 C ATOM 906 CH2 TRP A 64 -0.383 -3.515 2.478 1.00 72.20 C ATOM 0 H TRP A 64 3.921 -4.304 8.273 1.00 14.52 H new ATOM 0 HA TRP A 64 3.944 -4.035 5.336 1.00 4.15 H new ATOM 0 HB2 TRP A 64 3.151 -2.083 7.505 1.00 65.42 H new ATOM 0 HB3 TRP A 64 3.496 -1.600 5.856 1.00 65.42 H new ATOM 0 HD1 TRP A 64 0.763 -2.766 8.014 1.00 10.12 H new ATOM 0 HE1 TRP A 64 -1.341 -3.348 6.648 1.00 21.01 H new ATOM 0 HE3 TRP A 64 2.867 -2.999 3.374 1.00 52.40 H new ATOM 0 HZ2 TRP A 64 -2.055 -3.563 3.846 1.00 1.45 H new ATOM 0 HZ3 TRP A 64 1.471 -3.427 1.378 1.00 61.00 H new ATOM 0 HH2 TRP A 64 -0.987 -3.700 1.602 1.00 72.20 H new ATOM 916 N MET A 65 6.419 -3.893 5.834 1.00 74.23 N ATOM 917 CA MET A 65 7.780 -3.454 5.632 1.00 61.05 C ATOM 918 C MET A 65 7.879 -2.601 4.372 1.00 25.10 C ATOM 919 O MET A 65 6.922 -2.484 3.604 1.00 1.32 O ATOM 920 CB MET A 65 8.703 -4.665 5.615 1.00 12.42 C ATOM 921 CG MET A 65 8.510 -5.599 4.409 1.00 23.01 C ATOM 922 SD MET A 65 10.048 -5.931 3.513 1.00 30.01 S ATOM 923 CE MET A 65 11.000 -6.680 4.858 1.00 32.34 C ATOM 0 H MET A 65 6.215 -4.822 5.465 1.00 74.23 H new ATOM 0 HA MET A 65 8.100 -2.816 6.456 1.00 61.05 H new ATOM 0 HB2 MET A 65 9.736 -4.318 5.628 1.00 12.42 H new ATOM 0 HB3 MET A 65 8.547 -5.237 6.530 1.00 12.42 H new ATOM 0 HG2 MET A 65 8.086 -6.543 4.752 1.00 23.01 H new ATOM 0 HG3 MET A 65 7.787 -5.155 3.725 1.00 23.01 H new ATOM 0 HE1 MET A 65 11.777 -7.321 4.441 1.00 32.34 H new ATOM 0 HE2 MET A 65 11.461 -5.896 5.459 1.00 32.34 H new ATOM 0 HE3 MET A 65 10.337 -7.275 5.486 1.00 32.34 H new ATOM 931 N GLN A 66 9.054 -2.023 4.137 1.00 42.14 N ATOM 932 CA GLN A 66 9.347 -1.219 2.959 1.00 41.14 C ATOM 933 C GLN A 66 10.603 -1.782 2.279 1.00 65.23 C ATOM 934 O GLN A 66 11.712 -1.354 2.593 1.00 41.21 O ATOM 935 CB GLN A 66 9.400 0.282 3.266 1.00 70.01 C ATOM 936 CG GLN A 66 10.239 0.643 4.486 1.00 14.40 C ATOM 937 CD GLN A 66 10.718 2.088 4.424 1.00 22.00 C ATOM 938 OE1 GLN A 66 11.383 2.532 3.494 1.00 13.13 O ATOM 939 NE2 GLN A 66 10.345 2.881 5.406 1.00 50.33 N ATOM 0 H GLN A 66 9.845 -2.104 4.776 1.00 42.14 H new ATOM 0 HA GLN A 66 8.526 -1.295 2.246 1.00 41.14 H new ATOM 0 HB2 GLN A 66 9.800 0.805 2.397 1.00 70.01 H new ATOM 0 HB3 GLN A 66 8.384 0.646 3.418 1.00 70.01 H new ATOM 0 HG2 GLN A 66 9.651 0.492 5.391 1.00 14.40 H new ATOM 0 HG3 GLN A 66 11.099 -0.024 4.549 1.00 14.40 H new ATOM 0 HE21 GLN A 66 9.792 2.510 6.179 1.00 50.33 H new ATOM 0 HE22 GLN A 66 10.609 3.866 5.394 1.00 50.33 H new ATOM 946 N PRO A 67 10.480 -2.791 1.401 1.00 51.41 N ATOM 947 CA PRO A 67 11.635 -3.402 0.745 1.00 71.44 C ATOM 948 C PRO A 67 12.351 -2.455 -0.227 1.00 63.35 C ATOM 949 O PRO A 67 13.431 -2.794 -0.724 1.00 61.42 O ATOM 950 CB PRO A 67 11.088 -4.634 0.022 1.00 30.24 C ATOM 951 CG PRO A 67 9.627 -4.280 -0.235 1.00 11.51 C ATOM 952 CD PRO A 67 9.245 -3.425 0.969 1.00 24.40 C ATOM 0 HA PRO A 67 12.397 -3.659 1.481 1.00 71.44 H new ATOM 0 HB2 PRO A 67 11.624 -4.824 -0.908 1.00 30.24 H new ATOM 0 HB3 PRO A 67 11.181 -5.532 0.633 1.00 30.24 H new ATOM 0 HG2 PRO A 67 9.506 -3.732 -1.170 1.00 11.51 H new ATOM 0 HG3 PRO A 67 9.005 -5.172 -0.306 1.00 11.51 H new ATOM 0 HD2 PRO A 67 8.495 -2.681 0.700 1.00 24.40 H new ATOM 0 HD3 PRO A 67 8.818 -4.036 1.765 1.00 24.40 H new ATOM 957 N VAL A 68 11.780 -1.283 -0.531 1.00 44.52 N ATOM 958 CA VAL A 68 12.461 -0.244 -1.283 1.00 71.41 C ATOM 959 C VAL A 68 13.512 0.366 -0.359 1.00 4.13 C ATOM 960 O VAL A 68 13.207 0.956 0.678 1.00 1.40 O ATOM 961 CB VAL A 68 11.491 0.812 -1.847 1.00 63.14 C ATOM 962 CG1 VAL A 68 12.235 1.628 -2.916 1.00 22.00 C ATOM 963 CG2 VAL A 68 10.258 0.154 -2.474 1.00 21.23 C ATOM 0 H VAL A 68 10.829 -1.036 -0.257 1.00 44.52 H new ATOM 0 HA VAL A 68 12.938 -0.674 -2.164 1.00 71.41 H new ATOM 0 HB VAL A 68 11.152 1.454 -1.034 1.00 63.14 H new ATOM 0 HG11 VAL A 68 11.566 2.383 -3.329 1.00 22.00 H new ATOM 0 HG12 VAL A 68 13.099 2.117 -2.465 1.00 22.00 H new ATOM 0 HG13 VAL A 68 12.569 0.964 -3.713 1.00 22.00 H new ATOM 0 HG21 VAL A 68 9.593 0.925 -2.863 1.00 21.23 H new ATOM 0 HG22 VAL A 68 10.569 -0.501 -3.288 1.00 21.23 H new ATOM 0 HG23 VAL A 68 9.734 -0.430 -1.718 1.00 21.23 H new ATOM 973 N ARG A 69 14.776 0.206 -0.728 1.00 14.10 N ATOM 974 CA ARG A 69 15.921 0.610 0.073 1.00 41.45 C ATOM 975 C ARG A 69 16.267 2.088 -0.113 1.00 30.33 C ATOM 976 O ARG A 69 17.318 2.549 0.340 1.00 23.30 O ATOM 977 CB ARG A 69 17.046 -0.388 -0.255 1.00 52.41 C ATOM 978 CG ARG A 69 18.223 -0.428 0.718 1.00 3.21 C ATOM 979 CD ARG A 69 17.813 -0.364 2.199 1.00 53.15 C ATOM 980 NE ARG A 69 18.751 -1.080 3.076 1.00 25.03 N ATOM 981 CZ ARG A 69 20.079 -0.937 3.142 1.00 43.22 C ATOM 982 NH1 ARG A 69 20.714 0.023 2.474 1.00 54.22 N ATOM 983 NH2 ARG A 69 20.751 -1.802 3.891 1.00 44.42 N ATOM 0 H ARG A 69 15.039 -0.220 -1.617 1.00 14.10 H new ATOM 0 HA ARG A 69 15.716 0.561 1.142 1.00 41.45 H new ATOM 0 HB2 ARG A 69 16.612 -1.387 -0.308 1.00 52.41 H new ATOM 0 HB3 ARG A 69 17.431 -0.155 -1.248 1.00 52.41 H new ATOM 0 HG2 ARG A 69 18.791 -1.343 0.548 1.00 3.21 H new ATOM 0 HG3 ARG A 69 18.890 0.406 0.500 1.00 3.21 H new ATOM 0 HD2 ARG A 69 17.753 0.679 2.511 1.00 53.15 H new ATOM 0 HD3 ARG A 69 16.816 -0.789 2.315 1.00 53.15 H new ATOM 0 HE ARG A 69 18.340 -1.767 3.709 1.00 25.03 H new ATOM 0 HH11 ARG A 69 20.187 0.674 1.892 1.00 54.22 H new ATOM 0 HH12 ARG A 69 21.728 0.108 2.544 1.00 54.22 H new ATOM 0 HH21 ARG A 69 20.253 -2.540 4.389 1.00 44.42 H new ATOM 0 HH22 ARG A 69 21.765 -1.729 3.969 1.00 44.42 H new ATOM 994 N SER A 70 15.338 2.835 -0.697 1.00 65.32 N ATOM 995 CA SER A 70 15.306 4.262 -0.887 1.00 3.10 C ATOM 996 C SER A 70 13.986 4.790 -0.317 1.00 42.21 C ATOM 997 O SER A 70 12.978 4.084 -0.272 1.00 22.21 O ATOM 998 CB SER A 70 15.385 4.548 -2.385 1.00 41.15 C ATOM 999 OG SER A 70 16.671 4.296 -2.904 1.00 73.32 O ATOM 0 H SER A 70 14.503 2.399 -1.088 1.00 65.32 H new ATOM 0 HA SER A 70 16.141 4.748 -0.382 1.00 3.10 H new ATOM 0 HB2 SER A 70 14.655 3.932 -2.911 1.00 41.15 H new ATOM 0 HB3 SER A 70 15.117 5.588 -2.570 1.00 41.15 H new ATOM 0 HG SER A 70 16.761 4.728 -3.779 1.00 73.32 H new ATOM 1004 N THR A 71 13.978 6.073 0.022 1.00 44.35 N ATOM 1005 CA THR A 71 12.796 6.873 0.338 1.00 43.21 C ATOM 1006 C THR A 71 12.735 8.011 -0.685 1.00 10.24 C ATOM 1007 O THR A 71 12.572 9.183 -0.346 1.00 14.22 O ATOM 1008 CB THR A 71 12.864 7.342 1.803 1.00 10.52 C ATOM 1009 OG1 THR A 71 14.118 7.940 2.103 1.00 23.00 O ATOM 1010 CG2 THR A 71 12.664 6.168 2.763 1.00 70.43 C ATOM 0 H THR A 71 14.840 6.614 0.088 1.00 44.35 H new ATOM 0 HA THR A 71 11.870 6.303 0.261 1.00 43.21 H new ATOM 0 HB THR A 71 12.068 8.075 1.930 1.00 10.52 H new ATOM 0 HG1 THR A 71 14.127 8.228 3.040 1.00 23.00 H new ATOM 0 HG21 THR A 71 12.716 6.526 3.791 1.00 70.43 H new ATOM 0 HG22 THR A 71 11.689 5.715 2.586 1.00 70.43 H new ATOM 0 HG23 THR A 71 13.444 5.425 2.597 1.00 70.43 H new ATOM 1018 N PHE A 72 12.993 7.667 -1.955 1.00 32.12 N ATOM 1019 CA PHE A 72 13.304 8.627 -2.995 1.00 22.03 C ATOM 1020 C PHE A 72 12.401 8.380 -4.198 1.00 33.23 C ATOM 1021 O PHE A 72 12.321 7.264 -4.701 1.00 61.12 O ATOM 1022 CB PHE A 72 14.797 8.539 -3.337 1.00 22.42 C ATOM 1023 CG PHE A 72 15.327 9.819 -3.941 1.00 4.33 C ATOM 1024 CD1 PHE A 72 15.411 10.973 -3.142 1.00 54.14 C ATOM 1025 CD2 PHE A 72 15.692 9.878 -5.297 1.00 73.41 C ATOM 1026 CE1 PHE A 72 15.795 12.197 -3.713 1.00 21.11 C ATOM 1027 CE2 PHE A 72 16.090 11.103 -5.866 1.00 64.13 C ATOM 1028 CZ PHE A 72 16.131 12.264 -5.076 1.00 0.44 C ATOM 0 H PHE A 72 12.989 6.700 -2.281 1.00 32.12 H new ATOM 0 HA PHE A 72 13.112 9.645 -2.655 1.00 22.03 H new ATOM 0 HB2 PHE A 72 15.361 8.306 -2.434 1.00 22.42 H new ATOM 0 HB3 PHE A 72 14.959 7.717 -4.034 1.00 22.42 H new ATOM 0 HD1 PHE A 72 15.180 10.918 -2.088 1.00 54.14 H new ATOM 0 HD2 PHE A 72 15.667 8.984 -5.902 1.00 73.41 H new ATOM 0 HE1 PHE A 72 15.832 13.088 -3.104 1.00 21.11 H new ATOM 0 HE2 PHE A 72 16.364 11.150 -6.910 1.00 64.13 H new ATOM 0 HZ PHE A 72 16.420 13.207 -5.516 1.00 0.44 H new ATOM 1037 N GLU A 73 11.699 9.417 -4.637 1.00 44.35 N ATOM 1038 CA GLU A 73 10.605 9.398 -5.601 1.00 2.20 C ATOM 1039 C GLU A 73 10.876 8.547 -6.863 1.00 71.15 C ATOM 1040 O GLU A 73 10.064 7.663 -7.142 1.00 62.52 O ATOM 1041 CB GLU A 73 10.236 10.859 -5.884 1.00 2.04 C ATOM 1042 CG GLU A 73 8.893 11.045 -6.590 1.00 15.03 C ATOM 1043 CD GLU A 73 8.716 12.514 -6.966 1.00 31.40 C ATOM 1044 OE1 GLU A 73 8.712 13.377 -6.060 1.00 63.12 O ATOM 1045 OE2 GLU A 73 8.712 12.827 -8.182 1.00 52.43 O ATOM 0 H GLU A 73 11.893 10.362 -4.305 1.00 44.35 H new ATOM 0 HA GLU A 73 9.747 8.878 -5.175 1.00 2.20 H new ATOM 0 HB2 GLU A 73 10.216 11.405 -4.941 1.00 2.04 H new ATOM 0 HB3 GLU A 73 11.019 11.307 -6.495 1.00 2.04 H new ATOM 0 HG2 GLU A 73 8.850 10.422 -7.483 1.00 15.03 H new ATOM 0 HG3 GLU A 73 8.080 10.725 -5.939 1.00 15.03 H new ATOM 1050 N PRO A 74 11.972 8.732 -7.631 1.00 24.32 N ATOM 1051 CA PRO A 74 12.251 7.918 -8.819 1.00 35.12 C ATOM 1052 C PRO A 74 12.679 6.471 -8.517 1.00 41.45 C ATOM 1053 O PRO A 74 12.825 5.698 -9.463 1.00 33.50 O ATOM 1054 CB PRO A 74 13.337 8.674 -9.591 1.00 74.34 C ATOM 1055 CG PRO A 74 14.093 9.406 -8.490 1.00 40.01 C ATOM 1056 CD PRO A 74 12.970 9.789 -7.528 1.00 35.54 C ATOM 0 HA PRO A 74 11.335 7.794 -9.396 1.00 35.12 H new ATOM 0 HB2 PRO A 74 13.986 7.995 -10.144 1.00 74.34 H new ATOM 0 HB3 PRO A 74 12.909 9.366 -10.316 1.00 74.34 H new ATOM 0 HG2 PRO A 74 14.837 8.768 -8.014 1.00 40.01 H new ATOM 0 HG3 PRO A 74 14.620 10.281 -8.870 1.00 40.01 H new ATOM 0 HD2 PRO A 74 13.343 9.875 -6.507 1.00 35.54 H new ATOM 0 HD3 PRO A 74 12.542 10.756 -7.793 1.00 35.54 H new ATOM 1061 N ASP A 75 12.872 6.091 -7.248 1.00 12.40 N ATOM 1062 CA ASP A 75 13.202 4.721 -6.843 1.00 71.21 C ATOM 1063 C ASP A 75 11.973 3.992 -6.300 1.00 22.23 C ATOM 1064 O ASP A 75 12.013 2.779 -6.103 1.00 34.13 O ATOM 1065 CB ASP A 75 14.274 4.716 -5.732 1.00 31.11 C ATOM 1066 CG ASP A 75 15.642 5.252 -6.140 1.00 20.10 C ATOM 1067 OD1 ASP A 75 15.947 5.339 -7.347 1.00 64.34 O ATOM 1068 OD2 ASP A 75 16.457 5.583 -5.239 1.00 5.32 O ATOM 0 H ASP A 75 12.802 6.738 -6.462 1.00 12.40 H new ATOM 0 HA ASP A 75 13.575 4.215 -7.733 1.00 71.21 H new ATOM 0 HB2 ASP A 75 13.906 5.307 -4.893 1.00 31.11 H new ATOM 0 HB3 ASP A 75 14.396 3.694 -5.373 1.00 31.11 H new ATOM 1072 N LEU A 76 10.890 4.719 -6.002 1.00 61.42 N ATOM 1073 CA LEU A 76 9.762 4.175 -5.260 1.00 51.25 C ATOM 1074 C LEU A 76 8.749 3.574 -6.214 1.00 54.42 C ATOM 1075 O LEU A 76 8.578 2.363 -6.197 1.00 44.02 O ATOM 1076 CB LEU A 76 9.147 5.237 -4.342 1.00 40.44 C ATOM 1077 CG LEU A 76 10.035 5.503 -3.112 1.00 5.10 C ATOM 1078 CD1 LEU A 76 9.673 6.856 -2.512 1.00 10.50 C ATOM 1079 CD2 LEU A 76 9.855 4.457 -2.011 1.00 33.02 C ATOM 0 H LEU A 76 10.777 5.697 -6.270 1.00 61.42 H new ATOM 0 HA LEU A 76 10.115 3.372 -4.613 1.00 51.25 H new ATOM 0 HB2 LEU A 76 9.008 6.164 -4.899 1.00 40.44 H new ATOM 0 HB3 LEU A 76 8.160 4.910 -4.015 1.00 40.44 H new ATOM 0 HG LEU A 76 11.067 5.468 -3.461 1.00 5.10 H new ATOM 0 HD11 LEU A 76 10.300 7.047 -1.641 1.00 10.50 H new ATOM 0 HD12 LEU A 76 9.834 7.638 -3.254 1.00 10.50 H new ATOM 0 HD13 LEU A 76 8.625 6.852 -2.211 1.00 10.50 H new ATOM 0 HD21 LEU A 76 10.506 4.697 -1.171 1.00 33.02 H new ATOM 0 HD22 LEU A 76 8.817 4.455 -1.677 1.00 33.02 H new ATOM 0 HD23 LEU A 76 10.113 3.472 -2.399 1.00 33.02 H new ATOM 1090 N ASP A 77 8.072 4.378 -7.037 1.00 60.14 N ATOM 1091 CA ASP A 77 7.056 3.871 -7.972 1.00 24.23 C ATOM 1092 C ASP A 77 7.643 2.793 -8.893 1.00 75.52 C ATOM 1093 O ASP A 77 6.981 1.810 -9.214 1.00 2.21 O ATOM 1094 CB ASP A 77 6.460 5.025 -8.782 1.00 43.44 C ATOM 1095 CG ASP A 77 5.171 4.621 -9.500 1.00 72.45 C ATOM 1096 OD1 ASP A 77 4.170 4.442 -8.768 1.00 53.45 O ATOM 1097 OD2 ASP A 77 5.141 4.611 -10.758 1.00 51.45 O ATOM 0 H ASP A 77 8.208 5.388 -7.077 1.00 60.14 H new ATOM 0 HA ASP A 77 6.256 3.408 -7.395 1.00 24.23 H new ATOM 0 HB2 ASP A 77 6.256 5.865 -8.118 1.00 43.44 H new ATOM 0 HB3 ASP A 77 7.190 5.367 -9.515 1.00 43.44 H new ATOM 1101 N ALA A 78 8.943 2.902 -9.188 1.00 44.23 N ATOM 1102 CA ALA A 78 9.769 1.894 -9.832 1.00 1.44 C ATOM 1103 C ALA A 78 9.613 0.484 -9.240 1.00 73.42 C ATOM 1104 O ALA A 78 9.579 -0.499 -9.985 1.00 21.20 O ATOM 1105 CB ALA A 78 11.214 2.349 -9.674 1.00 32.34 C ATOM 0 H ALA A 78 9.470 3.747 -8.968 1.00 44.23 H new ATOM 0 HA ALA A 78 9.457 1.810 -10.873 1.00 1.44 H new ATOM 0 HB1 ALA A 78 11.878 1.623 -10.143 1.00 32.34 H new ATOM 0 HB2 ALA A 78 11.344 3.320 -10.151 1.00 32.34 H new ATOM 0 HB3 ALA A 78 11.456 2.430 -8.614 1.00 32.34 H new ATOM 1111 N TYR A 79 9.523 0.361 -7.913 1.00 0.32 N ATOM 1112 CA TYR A 79 9.287 -0.910 -7.242 1.00 24.31 C ATOM 1113 C TYR A 79 7.968 -1.511 -7.719 1.00 11.31 C ATOM 1114 O TYR A 79 7.915 -2.695 -8.047 1.00 20.40 O ATOM 1115 CB TYR A 79 9.229 -0.724 -5.722 1.00 0.20 C ATOM 1116 CG TYR A 79 8.933 -2.005 -4.973 1.00 53.01 C ATOM 1117 CD1 TYR A 79 7.595 -2.380 -4.751 1.00 63.11 C ATOM 1118 CD2 TYR A 79 9.983 -2.839 -4.544 1.00 52.41 C ATOM 1119 CE1 TYR A 79 7.304 -3.598 -4.117 1.00 72.45 C ATOM 1120 CE2 TYR A 79 9.697 -4.035 -3.863 1.00 41.55 C ATOM 1121 CZ TYR A 79 8.353 -4.414 -3.641 1.00 52.25 C ATOM 1122 OH TYR A 79 8.074 -5.550 -2.949 1.00 41.25 O ATOM 0 H TYR A 79 9.613 1.150 -7.273 1.00 0.32 H new ATOM 0 HA TYR A 79 10.112 -1.579 -7.486 1.00 24.31 H new ATOM 0 HB2 TYR A 79 10.181 -0.320 -5.376 1.00 0.20 H new ATOM 0 HB3 TYR A 79 8.464 0.014 -5.482 1.00 0.20 H new ATOM 0 HD1 TYR A 79 6.792 -1.731 -5.068 1.00 63.11 H new ATOM 0 HD2 TYR A 79 11.008 -2.560 -4.738 1.00 52.41 H new ATOM 0 HE1 TYR A 79 6.278 -3.911 -3.993 1.00 72.45 H new ATOM 0 HE2 TYR A 79 10.502 -4.663 -3.510 1.00 41.55 H new ATOM 0 HH TYR A 79 8.911 -5.993 -2.696 1.00 41.25 H new ATOM 1131 N ALA A 80 6.896 -0.711 -7.743 1.00 62.15 N ATOM 1132 CA ALA A 80 5.583 -1.172 -8.165 1.00 1.14 C ATOM 1133 C ALA A 80 5.610 -1.597 -9.636 1.00 43.24 C ATOM 1134 O ALA A 80 4.920 -2.557 -9.992 1.00 73.25 O ATOM 1135 CB ALA A 80 4.528 -0.084 -7.922 1.00 72.42 C ATOM 0 H ALA A 80 6.922 0.271 -7.470 1.00 62.15 H new ATOM 0 HA ALA A 80 5.312 -2.043 -7.569 1.00 1.14 H new ATOM 0 HB1 ALA A 80 3.551 -0.446 -8.243 1.00 72.42 H new ATOM 0 HB2 ALA A 80 4.493 0.159 -6.860 1.00 72.42 H new ATOM 0 HB3 ALA A 80 4.789 0.809 -8.490 1.00 72.42 H new ATOM 1141 N GLU A 81 6.434 -0.952 -10.467 1.00 51.21 N ATOM 1142 CA GLU A 81 6.570 -1.301 -11.871 1.00 63.53 C ATOM 1143 C GLU A 81 7.192 -2.682 -11.948 1.00 51.05 C ATOM 1144 O GLU A 81 6.751 -3.538 -12.713 1.00 75.22 O ATOM 1145 CB GLU A 81 7.474 -0.326 -12.645 1.00 43.24 C ATOM 1146 CG GLU A 81 6.959 1.111 -12.761 1.00 61.42 C ATOM 1147 CD GLU A 81 7.575 1.746 -14.005 1.00 33.12 C ATOM 1148 OE1 GLU A 81 8.741 2.203 -13.961 1.00 53.33 O ATOM 1149 OE2 GLU A 81 6.938 1.690 -15.084 1.00 24.40 O ATOM 0 H GLU A 81 7.024 -0.172 -10.177 1.00 51.21 H new ATOM 0 HA GLU A 81 5.579 -1.261 -12.323 1.00 63.53 H new ATOM 0 HB2 GLU A 81 8.451 -0.304 -12.161 1.00 43.24 H new ATOM 0 HB3 GLU A 81 7.625 -0.720 -13.650 1.00 43.24 H new ATOM 0 HG2 GLU A 81 5.871 1.119 -12.830 1.00 61.42 H new ATOM 0 HG3 GLU A 81 7.226 1.682 -11.872 1.00 61.42 H new ATOM 1154 N ARG A 82 8.234 -2.908 -11.143 1.00 4.12 N ATOM 1155 CA ARG A 82 8.923 -4.176 -11.144 1.00 42.24 C ATOM 1156 C ARG A 82 8.033 -5.285 -10.582 1.00 51.43 C ATOM 1157 O ARG A 82 8.077 -6.409 -11.075 1.00 23.33 O ATOM 1158 CB ARG A 82 10.239 -4.025 -10.369 1.00 3.10 C ATOM 1159 CG ARG A 82 11.049 -5.328 -10.399 1.00 72.42 C ATOM 1160 CD ARG A 82 12.242 -5.282 -9.451 1.00 61.42 C ATOM 1161 NE ARG A 82 13.474 -4.867 -10.137 1.00 35.24 N ATOM 1162 CZ ARG A 82 14.702 -5.252 -9.780 1.00 73.44 C ATOM 1163 NH1 ARG A 82 14.900 -6.165 -8.833 1.00 41.31 N ATOM 1164 NH2 ARG A 82 15.764 -4.740 -10.394 1.00 64.22 N ATOM 0 H ARG A 82 8.609 -2.223 -10.487 1.00 4.12 H new ATOM 0 HA ARG A 82 9.160 -4.471 -12.166 1.00 42.24 H new ATOM 0 HB2 ARG A 82 10.829 -3.216 -10.801 1.00 3.10 H new ATOM 0 HB3 ARG A 82 10.027 -3.748 -9.336 1.00 3.10 H new ATOM 0 HG2 ARG A 82 10.403 -6.163 -10.128 1.00 72.42 H new ATOM 0 HG3 ARG A 82 11.400 -5.513 -11.414 1.00 72.42 H new ATOM 0 HD2 ARG A 82 12.031 -4.591 -8.635 1.00 61.42 H new ATOM 0 HD3 ARG A 82 12.389 -6.266 -9.005 1.00 61.42 H new ATOM 0 HE ARG A 82 13.385 -4.243 -10.939 1.00 35.24 H new ATOM 0 HH11 ARG A 82 14.103 -6.590 -8.359 1.00 41.31 H new ATOM 0 HH12 ARG A 82 15.849 -6.440 -8.580 1.00 41.31 H new ATOM 0 HH21 ARG A 82 15.641 -4.053 -11.138 1.00 64.22 H new ATOM 0 HH22 ARG A 82 16.702 -5.034 -10.121 1.00 64.22 H new ATOM 1175 N ALA A 83 7.251 -5.002 -9.541 1.00 1.20 N ATOM 1176 CA ALA A 83 6.433 -5.996 -8.863 1.00 72.22 C ATOM 1177 C ALA A 83 5.383 -6.538 -9.841 1.00 33.23 C ATOM 1178 O ALA A 83 5.236 -7.749 -10.017 1.00 0.10 O ATOM 1179 CB ALA A 83 5.831 -5.376 -7.589 1.00 22.53 C ATOM 0 H ALA A 83 7.170 -4.066 -9.144 1.00 1.20 H new ATOM 0 HA ALA A 83 7.031 -6.849 -8.542 1.00 72.22 H new ATOM 0 HB1 ALA A 83 5.217 -6.118 -7.078 1.00 22.53 H new ATOM 0 HB2 ALA A 83 6.634 -5.052 -6.927 1.00 22.53 H new ATOM 0 HB3 ALA A 83 5.214 -4.518 -7.858 1.00 22.53 H new ATOM 1185 N ALA A 84 4.713 -5.637 -10.566 1.00 62.44 N ATOM 1186 CA ALA A 84 3.592 -5.961 -11.445 1.00 71.43 C ATOM 1187 C ALA A 84 4.020 -6.573 -12.787 1.00 0.11 C ATOM 1188 O ALA A 84 3.260 -6.488 -13.752 1.00 15.43 O ATOM 1189 CB ALA A 84 2.760 -4.696 -11.668 1.00 32.54 C ATOM 0 H ALA A 84 4.942 -4.643 -10.556 1.00 62.44 H new ATOM 0 HA ALA A 84 2.998 -6.730 -10.951 1.00 71.43 H new ATOM 0 HB1 ALA A 84 1.919 -4.924 -12.323 1.00 32.54 H new ATOM 0 HB2 ALA A 84 2.386 -4.333 -10.711 1.00 32.54 H new ATOM 0 HB3 ALA A 84 3.381 -3.928 -12.129 1.00 32.54 H new ATOM 1195 N ARG A 85 5.218 -7.153 -12.892 1.00 11.14 N ATOM 1196 CA ARG A 85 5.683 -7.870 -14.085 1.00 64.32 C ATOM 1197 C ARG A 85 5.865 -9.364 -13.820 1.00 12.44 C ATOM 1198 O ARG A 85 6.241 -10.095 -14.743 1.00 20.30 O ATOM 1199 CB ARG A 85 7.004 -7.257 -14.555 1.00 44.31 C ATOM 1200 CG ARG A 85 6.849 -5.830 -15.090 1.00 11.31 C ATOM 1201 CD ARG A 85 8.256 -5.243 -15.179 1.00 0.01 C ATOM 1202 NE ARG A 85 8.263 -3.828 -15.576 1.00 2.40 N ATOM 1203 CZ ARG A 85 9.291 -3.203 -16.162 1.00 63.51 C ATOM 1204 NH1 ARG A 85 10.407 -3.864 -16.467 1.00 54.25 N ATOM 1205 NH2 ARG A 85 9.207 -1.911 -16.449 1.00 21.52 N ATOM 0 H ARG A 85 5.905 -7.138 -12.138 1.00 11.14 H new ATOM 0 HA ARG A 85 4.923 -7.769 -14.860 1.00 64.32 H new ATOM 0 HB2 ARG A 85 7.711 -7.253 -13.725 1.00 44.31 H new ATOM 0 HB3 ARG A 85 7.432 -7.886 -15.335 1.00 44.31 H new ATOM 0 HG2 ARG A 85 6.368 -5.833 -16.068 1.00 11.31 H new ATOM 0 HG3 ARG A 85 6.221 -5.234 -14.428 1.00 11.31 H new ATOM 0 HD2 ARG A 85 8.749 -5.346 -14.212 1.00 0.01 H new ATOM 0 HD3 ARG A 85 8.840 -5.819 -15.897 1.00 0.01 H new ATOM 0 HE ARG A 85 7.422 -3.282 -15.391 1.00 2.40 H new ATOM 0 HH11 ARG A 85 10.485 -4.858 -16.254 1.00 54.25 H new ATOM 0 HH12 ARG A 85 11.183 -3.376 -16.914 1.00 54.25 H new ATOM 0 HH21 ARG A 85 8.358 -1.393 -16.223 1.00 21.52 H new ATOM 0 HH22 ARG A 85 9.991 -1.436 -16.896 1.00 21.52 H new ATOM 1216 N ILE A 86 5.672 -9.802 -12.578 1.00 74.53 N ATOM 1217 CA ILE A 86 5.771 -11.193 -12.163 1.00 34.45 C ATOM 1218 C ILE A 86 4.591 -11.540 -11.247 1.00 11.33 C ATOM 1219 O ILE A 86 4.146 -12.685 -11.248 1.00 13.45 O ATOM 1220 CB ILE A 86 7.139 -11.481 -11.491 1.00 41.02 C ATOM 1221 CG1 ILE A 86 8.380 -10.955 -12.256 1.00 22.10 C ATOM 1222 CG2 ILE A 86 7.324 -12.995 -11.378 1.00 1.01 C ATOM 1223 CD1 ILE A 86 8.800 -9.546 -11.835 1.00 1.34 C ATOM 0 H ILE A 86 5.435 -9.175 -11.810 1.00 74.53 H new ATOM 0 HA ILE A 86 5.719 -11.835 -13.042 1.00 34.45 H new ATOM 0 HB ILE A 86 7.094 -10.960 -10.535 1.00 41.02 H new ATOM 0 HG12 ILE A 86 9.214 -11.638 -12.095 1.00 22.10 H new ATOM 0 HG13 ILE A 86 8.167 -10.959 -13.325 1.00 22.10 H new ATOM 0 HG21 ILE A 86 8.283 -13.210 -10.907 1.00 1.01 H new ATOM 0 HG22 ILE A 86 6.520 -13.416 -10.774 1.00 1.01 H new ATOM 0 HG23 ILE A 86 7.301 -13.440 -12.373 1.00 1.01 H new ATOM 0 HD11 ILE A 86 9.674 -9.240 -12.410 1.00 1.34 H new ATOM 0 HD12 ILE A 86 7.981 -8.851 -12.022 1.00 1.34 H new ATOM 0 HD13 ILE A 86 9.044 -9.541 -10.773 1.00 1.34 H new ATOM 1234 N ASP A 87 4.046 -10.572 -10.495 1.00 4.05 N ATOM 1235 CA ASP A 87 2.864 -10.763 -9.657 1.00 22.41 C ATOM 1236 C ASP A 87 1.657 -10.115 -10.349 1.00 24.41 C ATOM 1237 O ASP A 87 1.367 -8.944 -10.091 1.00 42.02 O ATOM 1238 CB ASP A 87 3.088 -10.198 -8.240 1.00 33.25 C ATOM 1239 CG ASP A 87 3.960 -11.073 -7.341 1.00 11.13 C ATOM 1240 OD1 ASP A 87 3.655 -12.278 -7.186 1.00 23.51 O ATOM 1241 OD2 ASP A 87 4.887 -10.536 -6.688 1.00 71.51 O ATOM 0 H ASP A 87 4.422 -9.625 -10.455 1.00 4.05 H new ATOM 0 HA ASP A 87 2.670 -11.829 -9.535 1.00 22.41 H new ATOM 0 HB2 ASP A 87 3.547 -9.213 -8.323 1.00 33.25 H new ATOM 0 HB3 ASP A 87 2.119 -10.058 -7.761 1.00 33.25 H new ATOM 1245 N PRO A 88 0.941 -10.805 -11.264 1.00 55.20 N ATOM 1246 CA PRO A 88 -0.287 -10.279 -11.855 1.00 71.32 C ATOM 1247 C PRO A 88 -1.428 -10.208 -10.832 1.00 60.21 C ATOM 1248 O PRO A 88 -2.419 -9.513 -11.054 1.00 42.01 O ATOM 1249 CB PRO A 88 -0.620 -11.234 -13.007 1.00 32.11 C ATOM 1250 CG PRO A 88 -0.067 -12.568 -12.511 1.00 71.13 C ATOM 1251 CD PRO A 88 1.193 -12.149 -11.758 1.00 74.31 C ATOM 0 HA PRO A 88 -0.155 -9.255 -12.205 1.00 71.32 H new ATOM 0 HB2 PRO A 88 -1.693 -11.285 -13.193 1.00 32.11 H new ATOM 0 HB3 PRO A 88 -0.149 -10.923 -13.940 1.00 32.11 H new ATOM 0 HG2 PRO A 88 -0.775 -13.083 -11.861 1.00 71.13 H new ATOM 0 HG3 PRO A 88 0.160 -13.244 -13.335 1.00 71.13 H new ATOM 0 HD2 PRO A 88 1.401 -12.834 -10.936 1.00 74.31 H new ATOM 0 HD3 PRO A 88 2.063 -12.166 -12.415 1.00 74.31 H new ATOM 1256 N ASP A 89 -1.299 -10.887 -9.694 1.00 42.12 N ATOM 1257 CA ASP A 89 -2.264 -10.895 -8.606 1.00 42.40 C ATOM 1258 C ASP A 89 -1.996 -9.779 -7.595 1.00 72.51 C ATOM 1259 O ASP A 89 -2.717 -9.700 -6.604 1.00 60.14 O ATOM 1260 CB ASP A 89 -2.260 -12.256 -7.898 1.00 41.44 C ATOM 1261 CG ASP A 89 -1.005 -12.496 -7.060 1.00 61.23 C ATOM 1262 OD1 ASP A 89 0.117 -12.216 -7.550 1.00 43.43 O ATOM 1263 OD2 ASP A 89 -1.128 -12.993 -5.923 1.00 74.43 O ATOM 0 H ASP A 89 -0.484 -11.469 -9.501 1.00 42.12 H new ATOM 0 HA ASP A 89 -3.247 -10.717 -9.043 1.00 42.40 H new ATOM 0 HB2 ASP A 89 -3.137 -12.326 -7.255 1.00 41.44 H new ATOM 0 HB3 ASP A 89 -2.348 -13.046 -8.644 1.00 41.44 H new ATOM 1267 N ILE A 90 -1.014 -8.901 -7.822 1.00 75.11 N ATOM 1268 CA ILE A 90 -0.749 -7.787 -6.917 1.00 75.23 C ATOM 1269 C ILE A 90 -1.800 -6.695 -7.093 1.00 42.13 C ATOM 1270 O ILE A 90 -2.292 -6.466 -8.198 1.00 34.22 O ATOM 1271 CB ILE A 90 0.682 -7.272 -7.159 1.00 73.43 C ATOM 1272 CG1 ILE A 90 1.256 -6.553 -5.924 1.00 62.44 C ATOM 1273 CG2 ILE A 90 0.832 -6.387 -8.416 1.00 53.23 C ATOM 1274 CD1 ILE A 90 2.781 -6.674 -5.922 1.00 24.35 C ATOM 0 H ILE A 90 -0.390 -8.944 -8.628 1.00 75.11 H new ATOM 0 HA ILE A 90 -0.817 -8.120 -5.881 1.00 75.23 H new ATOM 0 HB ILE A 90 1.268 -8.172 -7.344 1.00 73.43 H new ATOM 0 HG12 ILE A 90 0.965 -5.503 -5.934 1.00 62.44 H new ATOM 0 HG13 ILE A 90 0.845 -6.989 -5.013 1.00 62.44 H new ATOM 0 HG21 ILE A 90 1.869 -6.066 -8.514 1.00 53.23 H new ATOM 0 HG22 ILE A 90 0.544 -6.957 -9.299 1.00 53.23 H new ATOM 0 HG23 ILE A 90 0.189 -5.512 -8.324 1.00 53.23 H new ATOM 0 HD11 ILE A 90 3.185 -6.165 -5.047 1.00 24.35 H new ATOM 0 HD12 ILE A 90 3.062 -7.727 -5.891 1.00 24.35 H new ATOM 0 HD13 ILE A 90 3.183 -6.217 -6.826 1.00 24.35 H new ATOM 1285 N TRP A 91 -2.082 -5.972 -6.019 1.00 13.04 N ATOM 1286 CA TRP A 91 -2.833 -4.727 -5.994 1.00 22.43 C ATOM 1287 C TRP A 91 -1.864 -3.595 -5.689 1.00 0.44 C ATOM 1288 O TRP A 91 -0.809 -3.810 -5.097 1.00 11.02 O ATOM 1289 CB TRP A 91 -3.904 -4.774 -4.901 1.00 52.04 C ATOM 1290 CG TRP A 91 -5.076 -5.663 -5.160 1.00 60.40 C ATOM 1291 CD1 TRP A 91 -5.050 -7.010 -5.194 1.00 24.41 C ATOM 1292 CD2 TRP A 91 -6.469 -5.292 -5.351 1.00 55.13 C ATOM 1293 NE1 TRP A 91 -6.322 -7.489 -5.427 1.00 15.42 N ATOM 1294 CE2 TRP A 91 -7.239 -6.470 -5.555 1.00 34.15 C ATOM 1295 CE3 TRP A 91 -7.161 -4.069 -5.354 1.00 44.41 C ATOM 1296 CZ2 TRP A 91 -8.621 -6.423 -5.798 1.00 21.32 C ATOM 1297 CZ3 TRP A 91 -8.556 -4.010 -5.534 1.00 72.14 C ATOM 1298 CH2 TRP A 91 -9.285 -5.186 -5.764 1.00 4.15 C ATOM 0 H TRP A 91 -1.775 -6.256 -5.089 1.00 13.04 H new ATOM 0 HA TRP A 91 -3.320 -4.574 -6.957 1.00 22.43 H new ATOM 0 HB2 TRP A 91 -3.431 -5.093 -3.972 1.00 52.04 H new ATOM 0 HB3 TRP A 91 -4.272 -3.761 -4.739 1.00 52.04 H new ATOM 0 HD1 TRP A 91 -4.169 -7.620 -5.060 1.00 24.41 H new ATOM 0 HE1 TRP A 91 -6.556 -8.479 -5.496 1.00 15.42 H new ATOM 0 HE3 TRP A 91 -6.609 -3.151 -5.215 1.00 44.41 H new ATOM 0 HZ2 TRP A 91 -9.168 -7.330 -6.009 1.00 21.32 H new ATOM 0 HZ3 TRP A 91 -9.065 -3.058 -5.495 1.00 72.14 H new ATOM 0 HH2 TRP A 91 -10.353 -5.140 -5.914 1.00 4.15 H new ATOM 1308 N VAL A 92 -2.248 -2.373 -6.036 1.00 15.43 N ATOM 1309 CA VAL A 92 -1.464 -1.172 -5.811 1.00 74.41 C ATOM 1310 C VAL A 92 -2.445 -0.137 -5.305 1.00 23.44 C ATOM 1311 O VAL A 92 -3.427 0.156 -5.992 1.00 3.12 O ATOM 1312 CB VAL A 92 -0.777 -0.731 -7.115 1.00 2.05 C ATOM 1313 CG1 VAL A 92 0.066 0.532 -6.955 1.00 62.52 C ATOM 1314 CG2 VAL A 92 0.163 -1.808 -7.662 1.00 64.21 C ATOM 0 H VAL A 92 -3.140 -2.188 -6.495 1.00 15.43 H new ATOM 0 HA VAL A 92 -0.662 -1.327 -5.089 1.00 74.41 H new ATOM 0 HB VAL A 92 -1.605 -0.543 -7.799 1.00 2.05 H new ATOM 0 HG11 VAL A 92 0.523 0.788 -7.911 1.00 62.52 H new ATOM 0 HG12 VAL A 92 -0.569 1.354 -6.624 1.00 62.52 H new ATOM 0 HG13 VAL A 92 0.847 0.357 -6.215 1.00 62.52 H new ATOM 0 HG21 VAL A 92 0.626 -1.453 -8.583 1.00 64.21 H new ATOM 0 HG22 VAL A 92 0.938 -2.023 -6.926 1.00 64.21 H new ATOM 0 HG23 VAL A 92 -0.404 -2.716 -7.867 1.00 64.21 H new ATOM 1324 N VAL A 93 -2.193 0.385 -4.112 1.00 12.33 N ATOM 1325 CA VAL A 93 -3.023 1.382 -3.476 1.00 44.14 C ATOM 1326 C VAL A 93 -2.157 2.616 -3.245 1.00 43.10 C ATOM 1327 O VAL A 93 -1.042 2.527 -2.715 1.00 4.25 O ATOM 1328 CB VAL A 93 -3.665 0.787 -2.213 1.00 41.34 C ATOM 1329 CG1 VAL A 93 -4.498 1.864 -1.521 1.00 73.22 C ATOM 1330 CG2 VAL A 93 -4.576 -0.402 -2.561 1.00 35.44 C ATOM 0 H VAL A 93 -1.384 0.116 -3.552 1.00 12.33 H new ATOM 0 HA VAL A 93 -3.864 1.693 -4.095 1.00 44.14 H new ATOM 0 HB VAL A 93 -2.870 0.435 -1.556 1.00 41.34 H new ATOM 0 HG11 VAL A 93 -4.957 1.449 -0.624 1.00 73.22 H new ATOM 0 HG12 VAL A 93 -3.855 2.700 -1.246 1.00 73.22 H new ATOM 0 HG13 VAL A 93 -5.277 2.213 -2.199 1.00 73.22 H new ATOM 0 HG21 VAL A 93 -5.016 -0.803 -1.648 1.00 35.44 H new ATOM 0 HG22 VAL A 93 -5.369 -0.069 -3.230 1.00 35.44 H new ATOM 0 HG23 VAL A 93 -3.989 -1.179 -3.052 1.00 35.44 H new ATOM 1340 N GLU A 94 -2.663 3.756 -3.702 1.00 32.15 N ATOM 1341 CA GLU A 94 -1.917 4.982 -3.908 1.00 42.25 C ATOM 1342 C GLU A 94 -2.537 6.062 -3.023 1.00 23.21 C ATOM 1343 O GLU A 94 -3.656 6.493 -3.301 1.00 72.52 O ATOM 1344 CB GLU A 94 -1.998 5.364 -5.398 1.00 34.54 C ATOM 1345 CG GLU A 94 -1.318 4.377 -6.359 1.00 74.52 C ATOM 1346 CD GLU A 94 0.128 4.750 -6.669 1.00 22.53 C ATOM 1347 OE1 GLU A 94 1.053 4.417 -5.908 1.00 51.35 O ATOM 1348 OE2 GLU A 94 0.385 5.408 -7.706 1.00 41.42 O ATOM 0 H GLU A 94 -3.648 3.850 -3.948 1.00 32.15 H new ATOM 0 HA GLU A 94 -0.866 4.864 -3.642 1.00 42.25 H new ATOM 0 HB2 GLU A 94 -3.048 5.455 -5.678 1.00 34.54 H new ATOM 0 HB3 GLU A 94 -1.546 6.347 -5.531 1.00 34.54 H new ATOM 0 HG2 GLU A 94 -1.345 3.378 -5.924 1.00 74.52 H new ATOM 0 HG3 GLU A 94 -1.884 4.335 -7.289 1.00 74.52 H new ATOM 1353 N ILE A 95 -1.846 6.461 -1.950 1.00 51.31 N ATOM 1354 CA ILE A 95 -2.336 7.411 -0.951 1.00 13.20 C ATOM 1355 C ILE A 95 -1.519 8.706 -1.113 1.00 24.24 C ATOM 1356 O ILE A 95 -0.303 8.690 -0.899 1.00 22.33 O ATOM 1357 CB ILE A 95 -2.198 6.805 0.480 1.00 62.21 C ATOM 1358 CG1 ILE A 95 -2.654 5.334 0.626 1.00 53.03 C ATOM 1359 CG2 ILE A 95 -2.911 7.646 1.551 1.00 11.11 C ATOM 1360 CD1 ILE A 95 -4.107 5.055 0.227 1.00 4.41 C ATOM 0 H ILE A 95 -0.905 6.122 -1.749 1.00 51.31 H new ATOM 0 HA ILE A 95 -3.394 7.629 -1.094 1.00 13.20 H new ATOM 0 HB ILE A 95 -1.120 6.825 0.640 1.00 62.21 H new ATOM 0 HG12 ILE A 95 -2.001 4.707 0.019 1.00 53.03 H new ATOM 0 HG13 ILE A 95 -2.515 5.029 1.663 1.00 53.03 H new ATOM 0 HG21 ILE A 95 -2.782 7.178 2.527 1.00 11.11 H new ATOM 0 HG22 ILE A 95 -2.484 8.649 1.570 1.00 11.11 H new ATOM 0 HG23 ILE A 95 -3.974 7.709 1.316 1.00 11.11 H new ATOM 0 HD11 ILE A 95 -4.326 3.996 0.366 1.00 4.41 H new ATOM 0 HD12 ILE A 95 -4.776 5.649 0.850 1.00 4.41 H new ATOM 0 HD13 ILE A 95 -4.254 5.321 -0.820 1.00 4.41 H new ATOM 1371 N GLU A 96 -2.130 9.819 -1.528 1.00 33.31 N ATOM 1372 CA GLU A 96 -1.553 11.158 -1.392 1.00 22.24 C ATOM 1373 C GLU A 96 -2.195 11.810 -0.175 1.00 60.45 C ATOM 1374 O GLU A 96 -3.348 12.259 -0.258 1.00 73.54 O ATOM 1375 CB GLU A 96 -1.844 12.051 -2.605 1.00 15.02 C ATOM 1376 CG GLU A 96 -0.961 11.819 -3.825 1.00 63.42 C ATOM 1377 CD GLU A 96 -1.118 12.999 -4.781 1.00 24.52 C ATOM 1378 OE1 GLU A 96 -0.502 14.063 -4.528 1.00 51.31 O ATOM 1379 OE2 GLU A 96 -1.878 12.900 -5.768 1.00 40.02 O ATOM 0 H GLU A 96 -3.048 9.815 -1.972 1.00 33.31 H new ATOM 0 HA GLU A 96 -0.472 11.055 -1.301 1.00 22.24 H new ATOM 0 HB2 GLU A 96 -2.883 11.905 -2.899 1.00 15.02 H new ATOM 0 HB3 GLU A 96 -1.742 13.092 -2.299 1.00 15.02 H new ATOM 0 HG2 GLU A 96 0.081 11.715 -3.522 1.00 63.42 H new ATOM 0 HG3 GLU A 96 -1.242 10.891 -4.323 1.00 63.42 H new ATOM 1384 N ASP A 97 -1.481 11.880 0.949 1.00 61.31 N ATOM 1385 CA ASP A 97 -1.986 12.540 2.153 1.00 61.04 C ATOM 1386 C ASP A 97 -1.225 13.840 2.411 1.00 73.12 C ATOM 1387 O ASP A 97 -0.112 14.033 1.922 1.00 65.32 O ATOM 1388 CB ASP A 97 -1.912 11.603 3.362 1.00 45.34 C ATOM 1389 CG ASP A 97 -2.609 12.255 4.557 1.00 22.32 C ATOM 1390 OD1 ASP A 97 -3.826 12.522 4.467 1.00 61.03 O ATOM 1391 OD2 ASP A 97 -1.942 12.599 5.550 1.00 52.34 O ATOM 0 H ASP A 97 -0.546 11.485 1.050 1.00 61.31 H new ATOM 0 HA ASP A 97 -3.035 12.790 1.994 1.00 61.04 H new ATOM 0 HB2 ASP A 97 -2.386 10.650 3.126 1.00 45.34 H new ATOM 0 HB3 ASP A 97 -0.872 11.389 3.607 1.00 45.34 H new ATOM 1395 N ARG A 98 -1.820 14.741 3.191 1.00 54.23 N ATOM 1396 CA ARG A 98 -1.170 15.947 3.692 1.00 72.24 C ATOM 1397 C ARG A 98 0.047 15.578 4.517 1.00 50.31 C ATOM 1398 O ARG A 98 1.136 16.009 4.182 1.00 33.00 O ATOM 1399 CB ARG A 98 -2.181 16.754 4.523 1.00 4.21 C ATOM 1400 CG ARG A 98 -3.194 17.442 3.609 1.00 10.11 C ATOM 1401 CD ARG A 98 -4.110 18.383 4.387 1.00 14.33 C ATOM 1402 NE ARG A 98 -5.239 18.770 3.538 1.00 0.10 N ATOM 1403 CZ ARG A 98 -6.216 19.619 3.845 1.00 35.20 C ATOM 1404 NH1 ARG A 98 -6.186 20.384 4.935 1.00 24.13 N ATOM 1405 NH2 ARG A 98 -7.243 19.674 3.024 1.00 35.52 N ATOM 0 H ARG A 98 -2.788 14.649 3.498 1.00 54.23 H new ATOM 0 HA ARG A 98 -0.832 16.561 2.857 1.00 72.24 H new ATOM 0 HB2 ARG A 98 -2.699 16.094 5.218 1.00 4.21 H new ATOM 0 HB3 ARG A 98 -1.657 17.499 5.121 1.00 4.21 H new ATOM 0 HG2 ARG A 98 -2.666 18.003 2.838 1.00 10.11 H new ATOM 0 HG3 ARG A 98 -3.795 16.689 3.099 1.00 10.11 H new ATOM 0 HD2 ARG A 98 -4.471 17.893 5.291 1.00 14.33 H new ATOM 0 HD3 ARG A 98 -3.558 19.268 4.703 1.00 14.33 H new ATOM 0 HE ARG A 98 -5.281 18.343 2.613 1.00 0.10 H new ATOM 0 HH11 ARG A 98 -5.392 20.332 5.573 1.00 24.13 H new ATOM 0 HH12 ARG A 98 -6.957 21.022 5.132 1.00 24.13 H new ATOM 0 HH21 ARG A 98 -7.265 19.081 2.195 1.00 35.52 H new ATOM 0 HH22 ARG A 98 -8.017 20.310 3.217 1.00 35.52 H new ATOM 1416 N ASP A 99 -0.158 14.804 5.573 1.00 30.44 N ATOM 1417 CA ASP A 99 0.756 14.552 6.679 1.00 72.43 C ATOM 1418 C ASP A 99 1.369 13.153 6.556 1.00 54.52 C ATOM 1419 O ASP A 99 1.683 12.510 7.558 1.00 30.04 O ATOM 1420 CB ASP A 99 -0.055 14.715 7.977 1.00 54.42 C ATOM 1421 CG ASP A 99 0.776 14.924 9.242 1.00 23.04 C ATOM 1422 OD1 ASP A 99 1.931 15.399 9.192 1.00 41.43 O ATOM 1423 OD2 ASP A 99 0.174 14.852 10.339 1.00 12.31 O ATOM 0 H ASP A 99 -1.035 14.297 5.688 1.00 30.44 H new ATOM 0 HA ASP A 99 1.590 15.253 6.675 1.00 72.43 H new ATOM 0 HB2 ASP A 99 -0.730 15.563 7.861 1.00 54.42 H new ATOM 0 HB3 ASP A 99 -0.676 13.830 8.112 1.00 54.42 H new ATOM 1427 N GLY A 100 1.462 12.630 5.326 1.00 74.05 N ATOM 1428 CA GLY A 100 2.163 11.387 5.035 1.00 25.34 C ATOM 1429 C GLY A 100 1.468 10.136 5.558 1.00 64.13 C ATOM 1430 O GLY A 100 2.124 9.099 5.696 1.00 5.30 O ATOM 0 H GLY A 100 1.047 13.067 4.503 1.00 74.05 H new ATOM 0 HA2 GLY A 100 2.284 11.296 3.956 1.00 25.34 H new ATOM 0 HA3 GLY A 100 3.163 11.439 5.465 1.00 25.34 H new ATOM 1434 N ARG A 101 0.169 10.211 5.863 1.00 12.42 N ATOM 1435 CA ARG A 101 -0.546 9.067 6.413 1.00 13.50 C ATOM 1436 C ARG A 101 -0.644 7.948 5.392 1.00 11.43 C ATOM 1437 O ARG A 101 -0.887 8.183 4.210 1.00 74.13 O ATOM 1438 CB ARG A 101 -1.951 9.452 6.877 1.00 30.41 C ATOM 1439 CG ARG A 101 -1.919 10.448 8.036 1.00 72.34 C ATOM 1440 CD ARG A 101 -3.323 10.545 8.623 1.00 62.22 C ATOM 1441 NE ARG A 101 -3.420 11.629 9.605 1.00 13.33 N ATOM 1442 CZ ARG A 101 -3.011 11.646 10.878 1.00 24.34 C ATOM 1443 NH1 ARG A 101 -2.339 10.630 11.419 1.00 12.43 N ATOM 1444 NH2 ARG A 101 -3.316 12.700 11.620 1.00 12.22 N ATOM 0 H ARG A 101 -0.401 11.048 5.738 1.00 12.42 H new ATOM 0 HA ARG A 101 0.023 8.721 7.276 1.00 13.50 H new ATOM 0 HB2 ARG A 101 -2.502 9.885 6.042 1.00 30.41 H new ATOM 0 HB3 ARG A 101 -2.490 8.556 7.184 1.00 30.41 H new ATOM 0 HG2 ARG A 101 -1.211 10.122 8.798 1.00 72.34 H new ATOM 0 HG3 ARG A 101 -1.585 11.425 7.688 1.00 72.34 H new ATOM 0 HD2 ARG A 101 -4.043 10.713 7.822 1.00 62.22 H new ATOM 0 HD3 ARG A 101 -3.587 9.599 9.096 1.00 62.22 H new ATOM 0 HE ARG A 101 -3.859 12.487 9.272 1.00 13.33 H new ATOM 0 HH11 ARG A 101 -2.122 9.806 10.858 1.00 12.43 H new ATOM 0 HH12 ARG A 101 -2.042 10.676 12.394 1.00 12.43 H new ATOM 0 HH21 ARG A 101 -3.849 13.470 11.217 1.00 12.22 H new ATOM 0 HH22 ARG A 101 -3.018 12.741 12.595 1.00 12.22 H new ATOM 1455 N HIS A 102 -0.570 6.716 5.888 1.00 54.13 N ATOM 1456 CA HIS A 102 -0.847 5.505 5.130 1.00 2.35 C ATOM 1457 C HIS A 102 -2.279 4.998 5.365 1.00 61.31 C ATOM 1458 O HIS A 102 -2.749 4.180 4.581 1.00 34.42 O ATOM 1459 CB HIS A 102 0.196 4.439 5.502 1.00 25.31 C ATOM 1460 CG HIS A 102 0.373 4.288 6.994 1.00 73.31 C ATOM 1461 ND1 HIS A 102 -0.595 3.893 7.883 1.00 24.32 N ATOM 1462 CD2 HIS A 102 1.469 4.676 7.717 1.00 63.35 C ATOM 1463 CE1 HIS A 102 -0.110 4.063 9.121 1.00 12.11 C ATOM 1464 NE2 HIS A 102 1.143 4.550 9.075 1.00 10.14 N ATOM 0 H HIS A 102 -0.308 6.530 6.856 1.00 54.13 H new ATOM 0 HA HIS A 102 -0.774 5.727 4.065 1.00 2.35 H new ATOM 0 HB2 HIS A 102 -0.104 3.481 5.078 1.00 25.31 H new ATOM 0 HB3 HIS A 102 1.153 4.702 5.052 1.00 25.31 H new ATOM 0 HD2 HIS A 102 2.412 5.017 7.315 1.00 63.35 H new ATOM 0 HE1 HIS A 102 -0.650 3.840 10.029 1.00 12.11 H new ATOM 0 HE2 HIS A 102 1.738 4.782 9.870 1.00 10.14 H new ATOM 1471 N PHE A 103 -2.992 5.456 6.407 1.00 54.41 N ATOM 1472 CA PHE A 103 -4.331 4.984 6.785 1.00 4.15 C ATOM 1473 C PHE A 103 -4.396 3.444 6.876 1.00 70.44 C ATOM 1474 O PHE A 103 -5.263 2.809 6.276 1.00 21.14 O ATOM 1475 CB PHE A 103 -5.398 5.639 5.874 1.00 70.44 C ATOM 1476 CG PHE A 103 -5.689 7.082 6.252 1.00 25.23 C ATOM 1477 CD1 PHE A 103 -6.527 7.354 7.351 1.00 71.04 C ATOM 1478 CD2 PHE A 103 -5.112 8.153 5.538 1.00 44.53 C ATOM 1479 CE1 PHE A 103 -6.812 8.679 7.719 1.00 52.20 C ATOM 1480 CE2 PHE A 103 -5.421 9.477 5.892 1.00 14.11 C ATOM 1481 CZ PHE A 103 -6.277 9.745 6.976 1.00 71.22 C ATOM 0 H PHE A 103 -2.641 6.186 7.027 1.00 54.41 H new ATOM 0 HA PHE A 103 -4.563 5.310 7.799 1.00 4.15 H new ATOM 0 HB2 PHE A 103 -5.059 5.601 4.839 1.00 70.44 H new ATOM 0 HB3 PHE A 103 -6.320 5.061 5.929 1.00 70.44 H new ATOM 0 HD1 PHE A 103 -6.954 6.538 7.915 1.00 71.04 H new ATOM 0 HD2 PHE A 103 -4.434 7.956 4.721 1.00 44.53 H new ATOM 0 HE1 PHE A 103 -7.442 8.879 8.573 1.00 52.20 H new ATOM 0 HE2 PHE A 103 -4.998 10.295 5.328 1.00 14.11 H new ATOM 0 HZ PHE A 103 -6.522 10.764 7.236 1.00 71.22 H new ATOM 1490 N LEU A 104 -3.505 2.825 7.666 1.00 45.33 N ATOM 1491 CA LEU A 104 -3.418 1.368 7.842 1.00 71.02 C ATOM 1492 C LEU A 104 -3.683 1.025 9.305 1.00 3.41 C ATOM 1493 O LEU A 104 -3.060 1.599 10.195 1.00 30.14 O ATOM 1494 CB LEU A 104 -2.054 0.790 7.399 1.00 21.45 C ATOM 1495 CG LEU A 104 -1.785 0.825 5.877 1.00 42.53 C ATOM 1496 CD1 LEU A 104 -0.314 0.480 5.599 1.00 50.14 C ATOM 1497 CD2 LEU A 104 -2.708 -0.150 5.135 1.00 14.21 C ATOM 0 H LEU A 104 -2.810 3.335 8.212 1.00 45.33 H new ATOM 0 HA LEU A 104 -4.172 0.912 7.200 1.00 71.02 H new ATOM 0 HB2 LEU A 104 -1.262 1.343 7.904 1.00 21.45 H new ATOM 0 HB3 LEU A 104 -1.988 -0.243 7.739 1.00 21.45 H new ATOM 0 HG LEU A 104 -1.992 1.831 5.512 1.00 42.53 H new ATOM 0 HD11 LEU A 104 -0.131 0.506 4.525 1.00 50.14 H new ATOM 0 HD12 LEU A 104 0.330 1.206 6.095 1.00 50.14 H new ATOM 0 HD13 LEU A 104 -0.096 -0.518 5.980 1.00 50.14 H new ATOM 0 HD21 LEU A 104 -2.499 -0.107 4.066 1.00 14.21 H new ATOM 0 HD22 LEU A 104 -2.534 -1.163 5.498 1.00 14.21 H new ATOM 0 HD23 LEU A 104 -3.747 0.126 5.313 1.00 14.21 H new ATOM 1508 N THR A 105 -4.585 0.073 9.551 1.00 21.25 N ATOM 1509 CA THR A 105 -4.944 -0.425 10.884 1.00 33.23 C ATOM 1510 C THR A 105 -3.891 -1.414 11.440 1.00 12.22 C ATOM 1511 O THR A 105 -4.114 -2.051 12.470 1.00 4.55 O ATOM 1512 CB THR A 105 -6.370 -1.016 10.793 1.00 2.25 C ATOM 1513 OG1 THR A 105 -6.972 -1.192 12.058 1.00 4.21 O ATOM 1514 CG2 THR A 105 -6.477 -2.343 10.033 1.00 70.34 C ATOM 0 H THR A 105 -5.104 -0.389 8.804 1.00 21.25 H new ATOM 0 HA THR A 105 -4.947 0.389 11.609 1.00 33.23 H new ATOM 0 HB THR A 105 -6.902 -0.257 10.220 1.00 2.25 H new ATOM 0 HG1 THR A 105 -6.308 -1.535 12.691 1.00 4.21 H new ATOM 0 HG21 THR A 105 -7.515 -2.675 10.025 1.00 70.34 H new ATOM 0 HG22 THR A 105 -6.132 -2.204 9.008 1.00 70.34 H new ATOM 0 HG23 THR A 105 -5.860 -3.095 10.525 1.00 70.34 H new ATOM 1522 N GLU A 106 -2.766 -1.573 10.747 1.00 50.13 N ATOM 1523 CA GLU A 106 -1.822 -2.685 10.840 1.00 21.31 C ATOM 1524 C GLU A 106 -0.469 -2.153 11.343 1.00 63.40 C ATOM 1525 O GLU A 106 -0.254 -0.938 11.264 1.00 23.05 O ATOM 1526 CB GLU A 106 -1.685 -3.256 9.417 1.00 5.25 C ATOM 1527 CG GLU A 106 -2.975 -3.858 8.839 1.00 44.53 C ATOM 1528 CD GLU A 106 -3.421 -5.106 9.600 1.00 43.42 C ATOM 1529 OE1 GLU A 106 -4.155 -4.974 10.601 1.00 31.04 O ATOM 1530 OE2 GLU A 106 -3.035 -6.215 9.169 1.00 22.23 O ATOM 0 H GLU A 106 -2.469 -0.881 10.059 1.00 50.13 H new ATOM 0 HA GLU A 106 -2.160 -3.456 11.533 1.00 21.31 H new ATOM 0 HB2 GLU A 106 -1.342 -2.462 8.753 1.00 5.25 H new ATOM 0 HB3 GLU A 106 -0.912 -4.024 9.422 1.00 5.25 H new ATOM 0 HG2 GLU A 106 -3.769 -3.112 8.872 1.00 44.53 H new ATOM 0 HG3 GLU A 106 -2.818 -4.111 7.790 1.00 44.53 H new ATOM 1535 N PRO A 107 0.465 -2.996 11.819 1.00 25.42 N ATOM 1536 CA PRO A 107 1.807 -2.547 12.190 1.00 71.14 C ATOM 1537 C PRO A 107 2.602 -2.103 10.958 1.00 45.21 C ATOM 1538 O PRO A 107 2.299 -2.538 9.847 1.00 21.43 O ATOM 1539 CB PRO A 107 2.464 -3.755 12.859 1.00 1.35 C ATOM 1540 CG PRO A 107 1.755 -4.946 12.214 1.00 31.04 C ATOM 1541 CD PRO A 107 0.333 -4.434 12.004 1.00 34.04 C ATOM 0 HA PRO A 107 1.774 -1.683 12.854 1.00 71.14 H new ATOM 0 HB2 PRO A 107 3.538 -3.780 12.677 1.00 1.35 H new ATOM 0 HB3 PRO A 107 2.324 -3.741 13.940 1.00 1.35 H new ATOM 0 HG2 PRO A 107 2.223 -5.231 11.272 1.00 31.04 H new ATOM 0 HG3 PRO A 107 1.775 -5.824 12.859 1.00 31.04 H new ATOM 0 HD2 PRO A 107 -0.129 -4.902 11.134 1.00 34.04 H new ATOM 0 HD3 PRO A 107 -0.298 -4.664 12.862 1.00 34.04 H new ATOM 1546 N VAL A 108 3.626 -1.269 11.163 1.00 30.14 N ATOM 1547 CA VAL A 108 4.516 -0.785 10.112 1.00 4.22 C ATOM 1548 C VAL A 108 5.932 -0.802 10.676 1.00 74.11 C ATOM 1549 O VAL A 108 6.179 -0.310 11.782 1.00 72.35 O ATOM 1550 CB VAL A 108 4.086 0.624 9.640 1.00 50.22 C ATOM 1551 CG1 VAL A 108 5.052 1.205 8.597 1.00 73.12 C ATOM 1552 CG2 VAL A 108 2.679 0.635 9.016 1.00 34.42 C ATOM 0 H VAL A 108 3.862 -0.905 12.086 1.00 30.14 H new ATOM 0 HA VAL A 108 4.470 -1.424 9.230 1.00 4.22 H new ATOM 0 HB VAL A 108 4.094 1.233 10.544 1.00 50.22 H new ATOM 0 HG11 VAL A 108 4.709 2.195 8.295 1.00 73.12 H new ATOM 0 HG12 VAL A 108 6.050 1.282 9.029 1.00 73.12 H new ATOM 0 HG13 VAL A 108 5.083 0.551 7.726 1.00 73.12 H new ATOM 0 HG21 VAL A 108 2.428 1.648 8.702 1.00 34.42 H new ATOM 0 HG22 VAL A 108 2.659 -0.028 8.151 1.00 34.42 H new ATOM 0 HG23 VAL A 108 1.952 0.292 9.752 1.00 34.42 H new ATOM 1562 N GLU A 109 6.862 -1.371 9.923 1.00 70.24 N ATOM 1563 CA GLU A 109 8.260 -1.546 10.255 1.00 42.44 C ATOM 1564 C GLU A 109 9.069 -0.299 9.849 1.00 43.43 C ATOM 1565 O GLU A 109 8.522 0.746 9.473 1.00 21.33 O ATOM 1566 CB GLU A 109 8.723 -2.812 9.517 1.00 4.40 C ATOM 1567 CG GLU A 109 8.291 -4.132 10.173 1.00 11.12 C ATOM 1568 CD GLU A 109 6.778 -4.297 10.363 1.00 32.32 C ATOM 1569 OE1 GLU A 109 6.021 -4.104 9.391 1.00 34.35 O ATOM 1570 OE2 GLU A 109 6.366 -4.600 11.511 1.00 53.44 O ATOM 0 H GLU A 109 6.640 -1.747 9.001 1.00 70.24 H new ATOM 0 HA GLU A 109 8.414 -1.663 11.328 1.00 42.44 H new ATOM 0 HB2 GLU A 109 8.336 -2.784 8.499 1.00 4.40 H new ATOM 0 HB3 GLU A 109 9.811 -2.797 9.445 1.00 4.40 H new ATOM 0 HG2 GLU A 109 8.658 -4.959 9.566 1.00 11.12 H new ATOM 0 HG3 GLU A 109 8.775 -4.212 11.146 1.00 11.12 H new ATOM 1575 N SER A 110 10.391 -0.396 9.955 1.00 3.34 N ATOM 1576 CA SER A 110 11.385 0.568 9.507 1.00 73.03 C ATOM 1577 C SER A 110 12.638 -0.255 9.279 1.00 74.42 C ATOM 1578 O SER A 110 13.163 -0.262 8.150 1.00 11.34 O ATOM 1579 CB SER A 110 11.595 1.645 10.584 1.00 44.24 C ATOM 1580 OG SER A 110 11.485 2.944 10.034 1.00 53.11 O ATOM 0 H SER A 110 10.825 -1.211 10.388 1.00 3.34 H new ATOM 0 HA SER A 110 11.090 1.100 8.603 1.00 73.03 H new ATOM 0 HB2 SER A 110 10.858 1.519 11.377 1.00 44.24 H new ATOM 0 HB3 SER A 110 12.578 1.522 11.039 1.00 44.24 H new ATOM 0 HG SER A 110 11.621 3.611 10.739 1.00 53.11 H new TER 1585 SER A 110