USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 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 6 THR OG1 : rot -127:sc= 0.186 USER MOD Set 1.2: B 8 GLN : amide:sc= -0.0184 K(o=0.17,f=-1.1) USER MOD Set 2.1: A 8 GLN : amide:sc= 0.0519 K(o=0.28,f=-1.1) USER MOD Set 2.2: B 6 THR OG1 : rot -129:sc= 0.232 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 22 ASN : amide:sc= -4.77! C(o=-4.8!,f=-6.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0569 X(o=-0.057,f=-0.029) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 22 ASN : amide:sc= -4.57! C(o=-4.6!,f=-6.7!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.0593 X(o=-0.059,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 14.168 0.133 -2.577 1.00 0.00 N ATOM 38 CA TYR A 4 15.515 -0.161 -2.007 1.00 0.00 C ATOM 39 C TYR A 4 16.469 1.006 -2.275 1.00 0.00 C ATOM 40 O TYR A 4 16.114 1.978 -2.912 1.00 0.00 O ATOM 41 CB TYR A 4 15.987 -1.418 -2.738 1.00 0.00 C ATOM 42 CG TYR A 4 16.012 -1.157 -4.225 1.00 0.00 C ATOM 43 CD1 TYR A 4 17.086 -0.464 -4.796 1.00 0.00 C ATOM 44 CD2 TYR A 4 14.962 -1.610 -5.032 1.00 0.00 C ATOM 45 CE1 TYR A 4 17.109 -0.222 -6.175 1.00 0.00 C ATOM 46 CE2 TYR A 4 14.985 -1.368 -6.411 1.00 0.00 C ATOM 47 CZ TYR A 4 16.059 -0.675 -6.982 1.00 0.00 C ATOM 48 OH TYR A 4 16.082 -0.437 -8.341 1.00 0.00 O ATOM 0 HA TYR A 4 15.485 -0.304 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.981 -1.702 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 4 15.322 -2.252 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 4 17.897 -0.116 -4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.134 -2.146 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 4 17.937 0.314 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.174 -1.716 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 4 15.279 -0.819 -8.754 1.00 0.00 H new ATOM 58 N PHE A 5 17.680 0.916 -1.796 1.00 0.00 N ATOM 59 CA PHE A 5 18.656 2.019 -2.024 1.00 0.00 C ATOM 60 C PHE A 5 19.862 1.500 -2.812 1.00 0.00 C ATOM 61 O PHE A 5 20.108 0.312 -2.879 1.00 0.00 O ATOM 62 CB PHE A 5 19.083 2.468 -0.627 1.00 0.00 C ATOM 63 CG PHE A 5 17.873 2.940 0.143 1.00 0.00 C ATOM 64 CD1 PHE A 5 17.185 4.087 -0.268 1.00 0.00 C ATOM 65 CD2 PHE A 5 17.439 2.229 1.269 1.00 0.00 C ATOM 66 CE1 PHE A 5 16.063 4.525 0.447 1.00 0.00 C ATOM 67 CE2 PHE A 5 16.318 2.666 1.983 1.00 0.00 C ATOM 68 CZ PHE A 5 15.630 3.814 1.572 1.00 0.00 C ATOM 0 H PHE A 5 18.035 0.126 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 5 18.226 2.838 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 5 19.564 1.644 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 5 19.817 3.271 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.519 4.635 -1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 5 17.970 1.343 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 5 15.532 5.411 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 5 15.983 2.118 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.765 4.151 2.123 1.00 0.00 H new ATOM 78 N THR A 6 20.616 2.382 -3.409 1.00 0.00 N ATOM 79 CA THR A 6 21.804 1.938 -4.192 1.00 0.00 C ATOM 80 C THR A 6 22.975 2.899 -3.966 1.00 0.00 C ATOM 81 O THR A 6 22.798 4.010 -3.506 1.00 0.00 O ATOM 82 CB THR A 6 21.350 1.973 -5.653 1.00 0.00 C ATOM 83 OG1 THR A 6 20.530 0.844 -5.918 1.00 0.00 O ATOM 84 CG2 THR A 6 22.572 1.945 -6.573 1.00 0.00 C ATOM 0 H THR A 6 20.461 3.390 -3.389 1.00 0.00 H new ATOM 0 HA THR A 6 22.148 0.947 -3.897 1.00 0.00 H new ATOM 0 HB THR A 6 20.784 2.886 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.878 0.363 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 6 22.245 1.970 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 6 23.201 2.812 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 6 23.142 1.033 -6.394 1.00 0.00 H new ATOM 92 N LEU A 7 24.168 2.481 -4.289 1.00 0.00 N ATOM 93 CA LEU A 7 25.350 3.371 -4.095 1.00 0.00 C ATOM 94 C LEU A 7 26.302 3.249 -5.288 1.00 0.00 C ATOM 95 O LEU A 7 26.350 2.233 -5.953 1.00 0.00 O ATOM 96 CB LEU A 7 26.022 2.864 -2.819 1.00 0.00 C ATOM 97 CG LEU A 7 26.850 3.989 -2.196 1.00 0.00 C ATOM 98 CD1 LEU A 7 26.107 4.562 -0.989 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.204 3.435 -1.745 1.00 0.00 C ATOM 0 H LEU A 7 24.376 1.562 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 7 25.069 4.421 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 7 25.268 2.518 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.661 2.011 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 7 27.006 4.776 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.697 5.364 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.142 4.956 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.951 3.775 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.795 4.236 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.048 2.648 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.735 3.027 -2.605 1.00 0.00 H new ATOM 111 N GLN A 8 27.059 4.275 -5.565 1.00 0.00 N ATOM 112 CA GLN A 8 28.005 4.212 -6.716 1.00 0.00 C ATOM 113 C GLN A 8 29.415 4.604 -6.267 1.00 0.00 C ATOM 114 O GLN A 8 29.630 5.668 -5.723 1.00 0.00 O ATOM 115 CB GLN A 8 27.464 5.221 -7.729 1.00 0.00 C ATOM 116 CG GLN A 8 26.033 4.840 -8.114 1.00 0.00 C ATOM 117 CD GLN A 8 25.899 4.835 -9.638 1.00 0.00 C ATOM 118 OE1 GLN A 8 26.778 4.369 -10.335 1.00 0.00 O ATOM 119 NE2 GLN A 8 24.827 5.336 -10.188 1.00 0.00 N ATOM 0 H GLN A 8 27.064 5.153 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 8 28.075 3.209 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 8 27.483 6.225 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.098 5.238 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 8 25.787 3.857 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 8 25.327 5.547 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.089 5.727 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.727 5.336 -11.203 1.00 0.00 H new ATOM 128 N ILE A 9 30.377 3.752 -6.494 1.00 0.00 N ATOM 129 CA ILE A 9 31.773 4.077 -6.082 1.00 0.00 C ATOM 130 C ILE A 9 32.704 4.032 -7.296 1.00 0.00 C ATOM 131 O ILE A 9 32.504 3.263 -8.215 1.00 0.00 O ATOM 132 CB ILE A 9 32.154 2.993 -5.074 1.00 0.00 C ATOM 133 CG1 ILE A 9 31.190 3.041 -3.886 1.00 0.00 C ATOM 134 CG2 ILE A 9 33.582 3.233 -4.579 1.00 0.00 C ATOM 135 CD1 ILE A 9 30.369 1.751 -3.844 1.00 0.00 C ATOM 0 H ILE A 9 30.257 2.846 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 9 31.855 5.076 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 9 32.095 2.016 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 9 31.747 3.161 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 9 30.529 3.903 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 9 33.853 2.460 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 9 34.270 3.200 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 9 33.642 4.210 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 29.682 1.784 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 9 29.801 1.651 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 9 31.038 0.897 -3.735 1.00 0.00 H new ATOM 147 N ARG A 10 33.721 4.850 -7.309 1.00 0.00 N ATOM 148 CA ARG A 10 34.662 4.851 -8.466 1.00 0.00 C ATOM 149 C ARG A 10 36.021 4.288 -8.043 1.00 0.00 C ATOM 150 O ARG A 10 37.055 4.868 -8.310 1.00 0.00 O ATOM 151 CB ARG A 10 34.790 6.320 -8.872 1.00 0.00 C ATOM 152 CG ARG A 10 35.403 7.117 -7.719 1.00 0.00 C ATOM 153 CD ARG A 10 36.196 8.299 -8.281 1.00 0.00 C ATOM 154 NE ARG A 10 35.711 9.484 -7.520 1.00 0.00 N ATOM 155 CZ ARG A 10 36.523 10.475 -7.271 1.00 0.00 C ATOM 156 NH1 ARG A 10 36.845 11.310 -8.221 1.00 0.00 N ATOM 157 NH2 ARG A 10 37.012 10.632 -6.071 1.00 0.00 N ATOM 0 H ARG A 10 33.941 5.517 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 10 34.306 4.232 -9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 35.413 6.409 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 10 33.810 6.724 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 10 34.618 7.476 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 36.056 6.476 -7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 10 37.268 8.155 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 10 36.022 8.418 -9.350 1.00 0.00 H new ATOM 0 HE ARG A 10 34.745 9.521 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 10 36.462 11.188 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 10 37.480 12.084 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 10 36.760 9.980 -5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 10 37.647 11.406 -5.876 1.00 0.00 H new ATOM 171 N GLY A 11 36.028 3.160 -7.386 1.00 0.00 N ATOM 172 CA GLY A 11 37.319 2.559 -6.947 1.00 0.00 C ATOM 173 C GLY A 11 37.063 1.168 -6.364 1.00 0.00 C ATOM 174 O GLY A 11 36.092 0.945 -5.670 1.00 0.00 O ATOM 0 H GLY A 11 35.195 2.629 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 38.006 2.490 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 11 37.794 3.196 -6.201 1.00 0.00 H new ATOM 178 N ARG A 12 37.927 0.230 -6.642 1.00 0.00 N ATOM 179 CA ARG A 12 37.731 -1.147 -6.104 1.00 0.00 C ATOM 180 C ARG A 12 38.179 -1.214 -4.641 1.00 0.00 C ATOM 181 O ARG A 12 37.425 -1.594 -3.767 1.00 0.00 O ATOM 182 CB ARG A 12 38.610 -2.043 -6.977 1.00 0.00 C ATOM 183 CG ARG A 12 37.893 -3.371 -7.229 1.00 0.00 C ATOM 184 CD ARG A 12 38.316 -3.930 -8.589 1.00 0.00 C ATOM 185 NE ARG A 12 39.521 -4.759 -8.306 1.00 0.00 N ATOM 186 CZ ARG A 12 40.584 -4.641 -9.052 1.00 0.00 C ATOM 187 NH1 ARG A 12 41.492 -3.750 -8.759 1.00 0.00 N ATOM 188 NH2 ARG A 12 40.740 -5.413 -10.093 1.00 0.00 N ATOM 0 H ARG A 12 38.759 0.357 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 12 36.685 -1.454 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 12 38.825 -1.548 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.567 -2.221 -6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 12 38.136 -4.083 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 12 36.813 -3.224 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 12 37.521 -4.528 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 12 38.544 -3.129 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 12 39.515 -5.419 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 12 41.370 -3.146 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.323 -3.658 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 12 40.030 -6.109 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.572 -5.321 -10.676 1.00 0.00 H new ATOM 202 N GLU A 13 39.403 -0.850 -4.367 1.00 0.00 N ATOM 203 CA GLU A 13 39.897 -0.896 -2.960 1.00 0.00 C ATOM 204 C GLU A 13 38.835 -0.340 -2.006 1.00 0.00 C ATOM 205 O GLU A 13 38.642 -0.842 -0.917 1.00 0.00 O ATOM 206 CB GLU A 13 41.145 -0.012 -2.949 1.00 0.00 C ATOM 207 CG GLU A 13 42.243 -0.689 -2.125 1.00 0.00 C ATOM 208 CD GLU A 13 42.120 -0.262 -0.661 1.00 0.00 C ATOM 209 OE1 GLU A 13 41.042 0.159 -0.276 1.00 0.00 O ATOM 210 OE2 GLU A 13 43.106 -0.365 0.049 1.00 0.00 O ATOM 0 H GLU A 13 40.081 -0.523 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 13 40.115 -1.913 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 13 41.493 0.157 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 13 40.908 0.964 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 13 42.158 -1.773 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 13 43.224 -0.416 -2.513 1.00 0.00 H new ATOM 217 N ARG A 14 38.138 0.688 -2.411 1.00 0.00 N ATOM 218 CA ARG A 14 37.084 1.268 -1.535 1.00 0.00 C ATOM 219 C ARG A 14 35.798 0.455 -1.690 1.00 0.00 C ATOM 220 O ARG A 14 35.137 0.106 -0.725 1.00 0.00 O ATOM 221 CB ARG A 14 36.892 2.696 -2.051 1.00 0.00 C ATOM 222 CG ARG A 14 35.629 3.302 -1.439 1.00 0.00 C ATOM 223 CD ARG A 14 35.732 4.829 -1.465 1.00 0.00 C ATOM 224 NE ARG A 14 35.425 5.211 -2.871 1.00 0.00 N ATOM 225 CZ ARG A 14 36.397 5.437 -3.714 1.00 0.00 C ATOM 226 NH1 ARG A 14 37.220 6.429 -3.510 1.00 0.00 N ATOM 227 NH2 ARG A 14 36.544 4.672 -4.760 1.00 0.00 N ATOM 0 H ARG A 14 38.255 1.150 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 14 37.350 1.256 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 14 37.759 3.305 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 14 36.815 2.692 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 14 34.750 2.977 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 14 35.505 2.953 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 14 35.027 5.284 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 14 36.728 5.163 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 14 34.455 5.296 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 14 37.104 7.028 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 14 37.979 6.606 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 14 35.900 3.897 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 14 37.303 4.848 -5.418 1.00 0.00 H new ATOM 241 N PHE A 15 35.444 0.141 -2.905 1.00 0.00 N ATOM 242 CA PHE A 15 34.212 -0.654 -3.129 1.00 0.00 C ATOM 243 C PHE A 15 34.334 -2.004 -2.419 1.00 0.00 C ATOM 244 O PHE A 15 33.488 -2.383 -1.634 1.00 0.00 O ATOM 245 CB PHE A 15 34.121 -0.851 -4.642 1.00 0.00 C ATOM 246 CG PHE A 15 33.115 -1.936 -4.939 1.00 0.00 C ATOM 247 CD1 PHE A 15 33.513 -3.279 -4.931 1.00 0.00 C ATOM 248 CD2 PHE A 15 31.783 -1.602 -5.210 1.00 0.00 C ATOM 249 CE1 PHE A 15 32.579 -4.287 -5.194 1.00 0.00 C ATOM 250 CE2 PHE A 15 30.850 -2.611 -5.474 1.00 0.00 C ATOM 251 CZ PHE A 15 31.248 -3.953 -5.465 1.00 0.00 C ATOM 0 H PHE A 15 35.955 0.401 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 15 33.324 -0.158 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 15 33.824 0.080 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.097 -1.122 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 15 34.541 -3.536 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 15 31.476 -0.567 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 15 32.886 -5.323 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 15 29.822 -2.354 -5.685 1.00 0.00 H new ATOM 0 HZ PHE A 15 30.527 -4.731 -5.667 1.00 0.00 H new ATOM 261 N GLU A 16 35.387 -2.729 -2.688 1.00 0.00 N ATOM 262 CA GLU A 16 35.569 -4.051 -2.026 1.00 0.00 C ATOM 263 C GLU A 16 35.211 -3.942 -0.544 1.00 0.00 C ATOM 264 O GLU A 16 34.598 -4.824 0.025 1.00 0.00 O ATOM 265 CB GLU A 16 37.053 -4.380 -2.198 1.00 0.00 C ATOM 266 CG GLU A 16 37.414 -4.355 -3.684 1.00 0.00 C ATOM 267 CD GLU A 16 37.736 -5.774 -4.156 1.00 0.00 C ATOM 268 OE1 GLU A 16 36.822 -6.579 -4.217 1.00 0.00 O ATOM 269 OE2 GLU A 16 38.892 -6.031 -4.449 1.00 0.00 O ATOM 0 H GLU A 16 36.127 -2.462 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 16 34.931 -4.824 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.662 -3.658 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.270 -5.362 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.586 -3.947 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.271 -3.702 -3.850 1.00 0.00 H new ATOM 276 N GLN A 17 35.582 -2.859 0.085 1.00 0.00 N ATOM 277 CA GLN A 17 35.255 -2.688 1.528 1.00 0.00 C ATOM 278 C GLN A 17 33.737 -2.675 1.715 1.00 0.00 C ATOM 279 O GLN A 17 33.202 -3.364 2.561 1.00 0.00 O ATOM 280 CB GLN A 17 35.859 -1.339 1.920 1.00 0.00 C ATOM 281 CG GLN A 17 37.385 -1.443 1.923 1.00 0.00 C ATOM 282 CD GLN A 17 37.881 -1.634 3.357 1.00 0.00 C ATOM 283 OE1 GLN A 17 37.250 -2.310 4.146 1.00 0.00 O ATOM 284 NE2 GLN A 17 38.992 -1.061 3.732 1.00 0.00 N ATOM 0 H GLN A 17 36.097 -2.087 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 17 35.649 -3.497 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.538 -0.568 1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.502 -1.042 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.704 -2.280 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.822 -0.542 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.522 -0.494 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 17 39.330 -1.181 4.687 1.00 0.00 H new ATOM 293 N PHE A 18 33.036 -1.902 0.929 1.00 0.00 N ATOM 294 CA PHE A 18 31.549 -1.861 1.068 1.00 0.00 C ATOM 295 C PHE A 18 30.948 -3.209 0.656 1.00 0.00 C ATOM 296 O PHE A 18 30.168 -3.797 1.380 1.00 0.00 O ATOM 297 CB PHE A 18 31.089 -0.748 0.127 1.00 0.00 C ATOM 298 CG PHE A 18 31.552 0.584 0.669 1.00 0.00 C ATOM 299 CD1 PHE A 18 31.484 0.844 2.044 1.00 0.00 C ATOM 300 CD2 PHE A 18 32.051 1.558 -0.203 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.915 2.077 2.545 1.00 0.00 C ATOM 302 CE2 PHE A 18 32.483 2.791 0.299 1.00 0.00 C ATOM 303 CZ PHE A 18 32.415 3.050 1.673 1.00 0.00 C ATOM 0 H PHE A 18 33.424 -1.301 0.202 1.00 0.00 H new ATOM 0 HA PHE A 18 31.232 -1.673 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.495 -0.909 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.003 -0.759 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.099 0.092 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.103 1.358 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.862 2.278 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 32.869 3.543 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.749 4.001 2.060 1.00 0.00 H new ATOM 313 N ARG A 19 31.307 -3.707 -0.496 1.00 0.00 N ATOM 314 CA ARG A 19 30.759 -5.021 -0.943 1.00 0.00 C ATOM 315 C ARG A 19 30.781 -6.021 0.218 1.00 0.00 C ATOM 316 O ARG A 19 29.755 -6.360 0.782 1.00 0.00 O ATOM 317 CB ARG A 19 31.697 -5.475 -2.061 1.00 0.00 C ATOM 318 CG ARG A 19 31.317 -6.889 -2.506 1.00 0.00 C ATOM 319 CD ARG A 19 31.368 -6.976 -4.033 1.00 0.00 C ATOM 320 NE ARG A 19 30.679 -8.254 -4.366 1.00 0.00 N ATOM 321 CZ ARG A 19 29.627 -8.245 -5.137 1.00 0.00 C ATOM 322 NH1 ARG A 19 28.784 -7.250 -5.080 1.00 0.00 N ATOM 323 NH2 ARG A 19 29.416 -9.232 -5.966 1.00 0.00 N ATOM 0 H ARG A 19 31.955 -3.262 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 19 29.725 -4.949 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.633 -4.788 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.730 -5.457 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.001 -7.616 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 19 30.317 -7.137 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 19 30.867 -6.125 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.396 -6.975 -4.395 1.00 0.00 H new ATOM 0 HE ARG A 19 31.030 -9.136 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 28.948 -6.479 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 19 27.961 -7.243 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.074 -10.010 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 28.593 -9.225 -6.569 1.00 0.00 H new ATOM 337 N GLU A 20 31.942 -6.493 0.583 1.00 0.00 N ATOM 338 CA GLU A 20 32.026 -7.463 1.710 1.00 0.00 C ATOM 339 C GLU A 20 31.144 -6.985 2.863 1.00 0.00 C ATOM 340 O GLU A 20 30.314 -7.715 3.372 1.00 0.00 O ATOM 341 CB GLU A 20 33.499 -7.468 2.123 1.00 0.00 C ATOM 342 CG GLU A 20 34.337 -8.114 1.018 1.00 0.00 C ATOM 343 CD GLU A 20 35.822 -7.988 1.362 1.00 0.00 C ATOM 344 OE1 GLU A 20 36.294 -6.867 1.461 1.00 0.00 O ATOM 345 OE2 GLU A 20 36.462 -9.014 1.521 1.00 0.00 O ATOM 0 H GLU A 20 32.833 -6.249 0.151 1.00 0.00 H new ATOM 0 HA GLU A 20 31.684 -8.460 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.840 -6.449 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 20 33.624 -8.017 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 20 34.066 -9.164 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 34.132 -7.631 0.063 1.00 0.00 H new ATOM 352 N ARG A 21 31.307 -5.756 3.271 1.00 0.00 N ATOM 353 CA ARG A 21 30.469 -5.226 4.380 1.00 0.00 C ATOM 354 C ARG A 21 28.990 -5.390 4.026 1.00 0.00 C ATOM 355 O ARG A 21 28.181 -5.763 4.851 1.00 0.00 O ATOM 356 CB ARG A 21 30.839 -3.746 4.486 1.00 0.00 C ATOM 357 CG ARG A 21 30.690 -3.285 5.937 1.00 0.00 C ATOM 358 CD ARG A 21 31.934 -3.688 6.732 1.00 0.00 C ATOM 359 NE ARG A 21 31.726 -3.111 8.089 1.00 0.00 N ATOM 360 CZ ARG A 21 32.567 -3.381 9.050 1.00 0.00 C ATOM 361 NH1 ARG A 21 32.629 -4.588 9.543 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.347 -2.444 9.518 1.00 0.00 N ATOM 0 H ARG A 21 31.984 -5.098 2.884 1.00 0.00 H new ATOM 0 HA ARG A 21 30.637 -5.749 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 21 31.864 -3.591 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 21 30.196 -3.152 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 21 30.556 -2.204 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.801 -3.732 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.041 -4.772 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.841 -3.297 6.271 1.00 0.00 H new ATOM 0 HE ARG A 21 30.926 -2.504 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.020 -5.320 9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.286 -4.799 10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.299 -1.501 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.004 -2.655 10.269 1.00 0.00 H new ATOM 376 N ASN A 22 28.633 -5.124 2.797 1.00 0.00 N ATOM 377 CA ASN A 22 27.209 -5.277 2.388 1.00 0.00 C ATOM 378 C ASN A 22 26.678 -6.620 2.885 1.00 0.00 C ATOM 379 O ASN A 22 25.630 -6.699 3.495 1.00 0.00 O ATOM 380 CB ASN A 22 27.225 -5.235 0.860 1.00 0.00 C ATOM 381 CG ASN A 22 25.854 -4.789 0.347 1.00 0.00 C ATOM 382 OD1 ASN A 22 25.013 -4.367 1.116 1.00 0.00 O ATOM 383 ND2 ASN A 22 25.591 -4.864 -0.929 1.00 0.00 N ATOM 0 H ASN A 22 29.265 -4.808 2.062 1.00 0.00 H new ATOM 0 HA ASN A 22 26.567 -4.500 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.996 -4.548 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.472 -6.219 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 22 24.680 -4.569 -1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 22 26.296 -5.218 -1.575 1.00 0.00 H new ATOM 390 N GLU A 23 27.400 -7.679 2.639 1.00 0.00 N ATOM 391 CA GLU A 23 26.938 -9.015 3.111 1.00 0.00 C ATOM 392 C GLU A 23 26.791 -8.999 4.634 1.00 0.00 C ATOM 393 O GLU A 23 25.764 -9.360 5.176 1.00 0.00 O ATOM 394 CB GLU A 23 28.035 -9.992 2.686 1.00 0.00 C ATOM 395 CG GLU A 23 27.617 -11.419 3.049 1.00 0.00 C ATOM 396 CD GLU A 23 28.795 -12.369 2.826 1.00 0.00 C ATOM 397 OE1 GLU A 23 29.894 -11.880 2.619 1.00 0.00 O ATOM 398 OE2 GLU A 23 28.579 -13.569 2.865 1.00 0.00 O ATOM 0 H GLU A 23 28.286 -7.677 2.134 1.00 0.00 H new ATOM 0 HA GLU A 23 25.970 -9.294 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 23 28.210 -9.915 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 28.973 -9.740 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 23 27.294 -11.461 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 23 26.768 -11.727 2.439 1.00 0.00 H new ATOM 405 N ALA A 24 27.811 -8.571 5.330 1.00 0.00 N ATOM 406 CA ALA A 24 27.729 -8.521 6.817 1.00 0.00 C ATOM 407 C ALA A 24 26.492 -7.725 7.241 1.00 0.00 C ATOM 408 O ALA A 24 25.659 -8.202 7.987 1.00 0.00 O ATOM 409 CB ALA A 24 29.006 -7.808 7.261 1.00 0.00 C ATOM 0 H ALA A 24 28.696 -8.255 4.933 1.00 0.00 H new ATOM 0 HA ALA A 24 27.643 -9.511 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 24 29.021 -7.731 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.875 -8.375 6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 29.035 -6.809 6.826 1.00 0.00 H new ATOM 415 N LEU A 25 26.363 -6.517 6.764 1.00 0.00 N ATOM 416 CA LEU A 25 25.177 -5.696 7.133 1.00 0.00 C ATOM 417 C LEU A 25 23.904 -6.360 6.603 1.00 0.00 C ATOM 418 O LEU A 25 22.843 -6.239 7.181 1.00 0.00 O ATOM 419 CB LEU A 25 25.402 -4.343 6.458 1.00 0.00 C ATOM 420 CG LEU A 25 25.655 -3.277 7.525 1.00 0.00 C ATOM 421 CD1 LEU A 25 25.913 -1.929 6.850 1.00 0.00 C ATOM 422 CD2 LEU A 25 24.428 -3.164 8.433 1.00 0.00 C ATOM 0 H LEU A 25 27.027 -6.064 6.136 1.00 0.00 H new ATOM 0 HA LEU A 25 25.060 -5.592 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 26.252 -4.401 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.532 -4.074 5.859 1.00 0.00 H new ATOM 0 HG LEU A 25 26.524 -3.558 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.093 -1.170 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 25 26.786 -2.008 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 25 25.044 -1.648 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.607 -2.404 9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 25 23.559 -2.883 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.242 -4.124 8.915 1.00 0.00 H new ATOM 434 N GLU A 26 24.004 -7.071 5.513 1.00 0.00 N ATOM 435 CA GLU A 26 22.799 -7.750 4.961 1.00 0.00 C ATOM 436 C GLU A 26 22.147 -8.590 6.059 1.00 0.00 C ATOM 437 O GLU A 26 20.952 -8.533 6.275 1.00 0.00 O ATOM 438 CB GLU A 26 23.322 -8.644 3.835 1.00 0.00 C ATOM 439 CG GLU A 26 22.142 -9.181 3.022 1.00 0.00 C ATOM 440 CD GLU A 26 22.657 -9.786 1.714 1.00 0.00 C ATOM 441 OE1 GLU A 26 23.474 -9.149 1.071 1.00 0.00 O ATOM 442 OE2 GLU A 26 22.225 -10.877 1.379 1.00 0.00 O ATOM 0 H GLU A 26 24.864 -7.210 4.983 1.00 0.00 H new ATOM 0 HA GLU A 26 22.049 -7.048 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.995 -8.079 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 23.898 -9.471 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.604 -9.935 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.437 -8.377 2.811 1.00 0.00 H new ATOM 449 N LEU A 27 22.929 -9.361 6.764 1.00 0.00 N ATOM 450 CA LEU A 27 22.362 -10.196 7.860 1.00 0.00 C ATOM 451 C LEU A 27 21.903 -9.294 9.008 1.00 0.00 C ATOM 452 O LEU A 27 20.869 -9.511 9.608 1.00 0.00 O ATOM 453 CB LEU A 27 23.513 -11.096 8.310 1.00 0.00 C ATOM 454 CG LEU A 27 22.984 -12.159 9.274 1.00 0.00 C ATOM 455 CD1 LEU A 27 23.231 -13.549 8.686 1.00 0.00 C ATOM 456 CD2 LEU A 27 23.711 -12.036 10.615 1.00 0.00 C ATOM 0 H LEU A 27 23.936 -9.449 6.628 1.00 0.00 H new ATOM 0 HA LEU A 27 21.498 -10.778 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.976 -11.572 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 24.285 -10.500 8.797 1.00 0.00 H new ATOM 0 HG LEU A 27 21.914 -12.014 9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.854 -14.307 9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.715 -13.637 7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.301 -13.696 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.335 -12.793 11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.781 -12.182 10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 27 23.536 -11.045 11.034 1.00 0.00 H new ATOM 468 N LYS A 28 22.665 -8.278 9.313 1.00 0.00 N ATOM 469 CA LYS A 28 22.274 -7.355 10.417 1.00 0.00 C ATOM 470 C LYS A 28 20.801 -6.960 10.271 1.00 0.00 C ATOM 471 O LYS A 28 20.020 -7.086 11.193 1.00 0.00 O ATOM 472 CB LYS A 28 23.186 -6.135 10.250 1.00 0.00 C ATOM 473 CG LYS A 28 22.584 -4.930 10.979 1.00 0.00 C ATOM 474 CD LYS A 28 22.215 -5.329 12.409 1.00 0.00 C ATOM 475 CE LYS A 28 22.990 -4.456 13.398 1.00 0.00 C ATOM 476 NZ LYS A 28 23.733 -5.418 14.259 1.00 0.00 N ATOM 0 H LYS A 28 23.542 -8.047 8.845 1.00 0.00 H new ATOM 0 HA LYS A 28 22.383 -7.809 11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.177 -6.354 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.311 -5.906 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.298 -4.106 10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.699 -4.576 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.143 -5.211 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.448 -6.381 12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.672 -3.782 12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.316 -3.836 13.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.290 -4.894 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.058 -6.042 14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.371 -5.990 13.670 1.00 0.00 H new ATOM 490 N ASP A 29 20.416 -6.485 9.118 1.00 0.00 N ATOM 491 CA ASP A 29 18.994 -6.086 8.914 1.00 0.00 C ATOM 492 C ASP A 29 18.092 -7.323 8.951 1.00 0.00 C ATOM 493 O ASP A 29 16.986 -7.282 9.453 1.00 0.00 O ATOM 494 CB ASP A 29 18.957 -5.435 7.532 1.00 0.00 C ATOM 495 CG ASP A 29 19.099 -3.919 7.677 1.00 0.00 C ATOM 496 OD1 ASP A 29 19.922 -3.493 8.470 1.00 0.00 O ATOM 497 OD2 ASP A 29 18.381 -3.208 6.992 1.00 0.00 O ATOM 0 H ASP A 29 21.024 -6.356 8.309 1.00 0.00 H new ATOM 0 HA ASP A 29 18.639 -5.408 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.762 -5.828 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.020 -5.677 7.030 1.00 0.00 H new ATOM 502 N ALA A 30 18.557 -8.423 8.425 1.00 0.00 N ATOM 503 CA ALA A 30 17.726 -9.661 8.433 1.00 0.00 C ATOM 504 C ALA A 30 17.539 -10.158 9.869 1.00 0.00 C ATOM 505 O ALA A 30 16.603 -10.871 10.174 1.00 0.00 O ATOM 506 CB ALA A 30 18.521 -10.678 7.612 1.00 0.00 C ATOM 0 H ALA A 30 19.475 -8.518 7.991 1.00 0.00 H new ATOM 0 HA ALA A 30 16.731 -9.495 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.974 -11.620 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.664 -10.297 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.492 -10.843 8.079 1.00 0.00 H new ATOM 512 N GLN A 31 18.423 -9.786 10.754 1.00 0.00 N ATOM 513 CA GLN A 31 18.297 -10.234 12.171 1.00 0.00 C ATOM 514 C GLN A 31 17.748 -9.098 13.038 1.00 0.00 C ATOM 515 O GLN A 31 16.568 -9.035 13.321 1.00 0.00 O ATOM 516 CB GLN A 31 19.719 -10.596 12.600 1.00 0.00 C ATOM 517 CG GLN A 31 19.865 -12.118 12.654 1.00 0.00 C ATOM 518 CD GLN A 31 19.205 -12.649 13.928 1.00 0.00 C ATOM 519 OE1 GLN A 31 18.224 -13.363 13.866 1.00 0.00 O ATOM 520 NE2 GLN A 31 19.704 -12.326 15.090 1.00 0.00 N ATOM 0 H GLN A 31 19.228 -9.191 10.557 1.00 0.00 H new ATOM 0 HA GLN A 31 17.612 -11.075 12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 31 20.440 -10.176 11.899 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.936 -10.164 13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.402 -12.570 11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 31 20.919 -12.394 12.636 1.00 0.00 H new ATOM 0 HE21 GLN A 31 20.528 -11.727 15.143 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.270 -12.673 15.946 1.00 0.00 H new ATOM 606 N TYR B 4 33.874 2.559 -12.911 1.00 0.00 N ATOM 607 CA TYR B 4 33.621 2.642 -11.444 1.00 0.00 C ATOM 608 C TYR B 4 32.774 1.452 -10.985 1.00 0.00 C ATOM 609 O TYR B 4 32.360 0.629 -11.778 1.00 0.00 O ATOM 610 CB TYR B 4 32.855 3.951 -11.248 1.00 0.00 C ATOM 611 CG TYR B 4 31.589 3.921 -12.071 1.00 0.00 C ATOM 612 CD1 TYR B 4 30.465 3.232 -11.601 1.00 0.00 C ATOM 613 CD2 TYR B 4 31.540 4.582 -13.304 1.00 0.00 C ATOM 614 CE1 TYR B 4 29.291 3.204 -12.364 1.00 0.00 C ATOM 615 CE2 TYR B 4 30.366 4.554 -14.067 1.00 0.00 C ATOM 616 CZ TYR B 4 29.242 3.865 -13.597 1.00 0.00 C ATOM 617 OH TYR B 4 28.085 3.838 -14.348 1.00 0.00 O ATOM 0 HA TYR B 4 34.544 2.618 -10.864 1.00 0.00 H new ATOM 0 HB2 TYR B 4 32.613 4.089 -10.194 1.00 0.00 H new ATOM 0 HB3 TYR B 4 33.475 4.796 -11.546 1.00 0.00 H new ATOM 0 HD1 TYR B 4 30.503 2.722 -10.650 1.00 0.00 H new ATOM 0 HD2 TYR B 4 32.407 5.113 -13.667 1.00 0.00 H new ATOM 0 HE1 TYR B 4 28.424 2.673 -12.001 1.00 0.00 H new ATOM 0 HE2 TYR B 4 30.328 5.064 -15.018 1.00 0.00 H new ATOM 0 HH TYR B 4 28.220 4.347 -15.175 1.00 0.00 H new ATOM 627 N PHE B 5 32.511 1.356 -9.710 1.00 0.00 N ATOM 628 CA PHE B 5 31.690 0.221 -9.199 1.00 0.00 C ATOM 629 C PHE B 5 30.410 0.750 -8.545 1.00 0.00 C ATOM 630 O PHE B 5 30.313 1.909 -8.196 1.00 0.00 O ATOM 631 CB PHE B 5 32.574 -0.472 -8.162 1.00 0.00 C ATOM 632 CG PHE B 5 33.845 -0.947 -8.822 1.00 0.00 C ATOM 633 CD1 PHE B 5 33.796 -1.953 -9.794 1.00 0.00 C ATOM 634 CD2 PHE B 5 35.074 -0.382 -8.461 1.00 0.00 C ATOM 635 CE1 PHE B 5 34.975 -2.394 -10.406 1.00 0.00 C ATOM 636 CE2 PHE B 5 36.254 -0.823 -9.073 1.00 0.00 C ATOM 637 CZ PHE B 5 36.204 -1.829 -10.045 1.00 0.00 C ATOM 0 H PHE B 5 32.829 2.015 -9.000 1.00 0.00 H new ATOM 0 HA PHE B 5 31.385 -0.460 -9.994 1.00 0.00 H new ATOM 0 HB2 PHE B 5 32.808 0.216 -7.350 1.00 0.00 H new ATOM 0 HB3 PHE B 5 32.043 -1.316 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE B 5 32.848 -2.389 -10.072 1.00 0.00 H new ATOM 0 HD2 PHE B 5 35.112 0.394 -7.711 1.00 0.00 H new ATOM 0 HE1 PHE B 5 34.937 -3.170 -11.156 1.00 0.00 H new ATOM 0 HE2 PHE B 5 37.202 -0.387 -8.795 1.00 0.00 H new ATOM 0 HZ PHE B 5 37.114 -2.169 -10.517 1.00 0.00 H new ATOM 647 N THR B 6 29.427 -0.092 -8.377 1.00 0.00 N ATOM 648 CA THR B 6 28.155 0.365 -7.747 1.00 0.00 C ATOM 649 C THR B 6 27.611 -0.719 -6.811 1.00 0.00 C ATOM 650 O THR B 6 27.998 -1.868 -6.884 1.00 0.00 O ATOM 651 CB THR B 6 27.198 0.599 -8.918 1.00 0.00 C ATOM 652 OG1 THR B 6 27.522 1.828 -9.552 1.00 0.00 O ATOM 653 CG2 THR B 6 25.757 0.653 -8.405 1.00 0.00 C ATOM 0 H THR B 6 29.449 -1.075 -8.648 1.00 0.00 H new ATOM 0 HA THR B 6 28.288 1.264 -7.145 1.00 0.00 H new ATOM 0 HB THR B 6 27.294 -0.218 -9.633 1.00 0.00 H new ATOM 0 HG1 THR B 6 26.712 2.372 -9.644 1.00 0.00 H new ATOM 0 HG21 THR B 6 25.079 0.820 -9.242 1.00 0.00 H new ATOM 0 HG22 THR B 6 25.508 -0.290 -7.919 1.00 0.00 H new ATOM 0 HG23 THR B 6 25.656 1.468 -7.688 1.00 0.00 H new ATOM 661 N LEU B 7 26.714 -0.361 -5.933 1.00 0.00 N ATOM 662 CA LEU B 7 26.145 -1.369 -4.994 1.00 0.00 C ATOM 663 C LEU B 7 24.639 -1.149 -4.833 1.00 0.00 C ATOM 664 O LEU B 7 24.141 -0.053 -5.000 1.00 0.00 O ATOM 665 CB LEU B 7 26.868 -1.127 -3.668 1.00 0.00 C ATOM 666 CG LEU B 7 26.835 -2.405 -2.827 1.00 0.00 C ATOM 667 CD1 LEU B 7 28.202 -3.089 -2.882 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.502 -2.050 -1.377 1.00 0.00 C ATOM 0 H LEU B 7 26.351 0.586 -5.825 1.00 0.00 H new ATOM 0 HA LEU B 7 26.280 -2.390 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU B 7 27.900 -0.828 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU B 7 26.392 -0.310 -3.126 1.00 0.00 H new ATOM 0 HG LEU B 7 26.076 -3.080 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU B 7 28.178 -3.999 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU B 7 28.441 -3.341 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU B 7 28.962 -2.415 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU B 7 26.478 -2.959 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.262 -1.375 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU B 7 25.528 -1.562 -1.336 1.00 0.00 H new ATOM 680 N GLN B 8 23.909 -2.182 -4.512 1.00 0.00 N ATOM 681 CA GLN B 8 22.435 -2.029 -4.343 1.00 0.00 C ATOM 682 C GLN B 8 21.991 -2.609 -2.998 1.00 0.00 C ATOM 683 O GLN B 8 22.233 -3.761 -2.697 1.00 0.00 O ATOM 684 CB GLN B 8 21.818 -2.820 -5.497 1.00 0.00 C ATOM 685 CG GLN B 8 22.325 -2.261 -6.827 1.00 0.00 C ATOM 686 CD GLN B 8 21.139 -2.009 -7.760 1.00 0.00 C ATOM 687 OE1 GLN B 8 20.110 -1.522 -7.335 1.00 0.00 O ATOM 688 NE2 GLN B 8 21.239 -2.324 -9.022 1.00 0.00 N ATOM 0 H GLN B 8 24.268 -3.124 -4.360 1.00 0.00 H new ATOM 0 HA GLN B 8 22.127 -0.984 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN B 8 22.080 -3.875 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN B 8 20.731 -2.757 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN B 8 22.872 -1.334 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN B 8 23.021 -2.963 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN B 8 22.103 -2.733 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN B 8 20.453 -2.161 -9.652 1.00 0.00 H new ATOM 697 N ILE B 9 21.341 -1.820 -2.187 1.00 0.00 N ATOM 698 CA ILE B 9 20.880 -2.326 -0.863 1.00 0.00 C ATOM 699 C ILE B 9 19.361 -2.175 -0.741 1.00 0.00 C ATOM 700 O ILE B 9 18.775 -1.257 -1.279 1.00 0.00 O ATOM 701 CB ILE B 9 21.590 -1.448 0.167 1.00 0.00 C ATOM 702 CG1 ILE B 9 23.104 -1.592 0.001 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.188 -1.886 1.577 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.697 -0.257 -0.452 1.00 0.00 C ATOM 0 H ILE B 9 21.109 -0.846 -2.384 1.00 0.00 H new ATOM 0 HA ILE B 9 21.108 -3.383 -0.722 1.00 0.00 H new ATOM 0 HB ILE B 9 21.304 -0.407 0.015 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.556 -1.902 0.943 1.00 0.00 H new ATOM 0 HG13 ILE B 9 23.328 -2.368 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE B 9 21.695 -1.259 2.311 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.109 -1.784 1.696 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.473 -2.927 1.730 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.776 -0.359 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.254 0.034 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.485 0.508 0.295 1.00 0.00 H new ATOM 716 N ARG B 10 18.720 -3.069 -0.040 1.00 0.00 N ATOM 717 CA ARG B 10 17.240 -2.972 0.113 1.00 0.00 C ATOM 718 C ARG B 10 16.880 -2.602 1.554 1.00 0.00 C ATOM 719 O ARG B 10 16.042 -3.225 2.174 1.00 0.00 O ATOM 720 CB ARG B 10 16.713 -4.366 -0.231 1.00 0.00 C ATOM 721 CG ARG B 10 17.264 -5.382 0.771 1.00 0.00 C ATOM 722 CD ARG B 10 16.264 -6.528 0.936 1.00 0.00 C ATOM 723 NE ARG B 10 17.069 -7.768 0.759 1.00 0.00 N ATOM 724 CZ ARG B 10 16.746 -8.853 1.408 1.00 0.00 C ATOM 725 NH1 ARG B 10 15.713 -9.556 1.030 1.00 0.00 N ATOM 726 NH2 ARG B 10 17.455 -9.235 2.435 1.00 0.00 N ATOM 0 H ARG B 10 19.155 -3.861 0.433 1.00 0.00 H new ATOM 0 HA ARG B 10 16.808 -2.204 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG B 10 15.623 -4.370 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG B 10 17.011 -4.639 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG B 10 18.222 -5.768 0.424 1.00 0.00 H new ATOM 0 HG3 ARG B 10 17.444 -4.900 1.732 1.00 0.00 H new ATOM 0 HD2 ARG B 10 15.791 -6.501 1.918 1.00 0.00 H new ATOM 0 HD3 ARG B 10 15.466 -6.466 0.196 1.00 0.00 H new ATOM 0 HE ARG B 10 17.873 -7.769 0.131 1.00 0.00 H new ATOM 0 HH11 ARG B 10 15.159 -9.257 0.228 1.00 0.00 H new ATOM 0 HH12 ARG B 10 15.460 -10.404 1.537 1.00 0.00 H new ATOM 0 HH21 ARG B 10 18.262 -8.685 2.731 1.00 0.00 H new ATOM 0 HH22 ARG B 10 17.202 -10.083 2.942 1.00 0.00 H new ATOM 740 N GLY B 11 17.509 -1.592 2.091 1.00 0.00 N ATOM 741 CA GLY B 11 17.204 -1.182 3.491 1.00 0.00 C ATOM 742 C GLY B 11 17.936 0.121 3.813 1.00 0.00 C ATOM 743 O GLY B 11 19.068 0.321 3.420 1.00 0.00 O ATOM 0 H GLY B 11 18.221 -1.033 1.621 1.00 0.00 H new ATOM 0 HA2 GLY B 11 16.129 -1.048 3.616 1.00 0.00 H new ATOM 0 HA3 GLY B 11 17.510 -1.965 4.185 1.00 0.00 H new ATOM 747 N ARG B 12 17.299 1.010 4.526 1.00 0.00 N ATOM 748 CA ARG B 12 17.961 2.300 4.873 1.00 0.00 C ATOM 749 C ARG B 12 18.925 2.103 6.045 1.00 0.00 C ATOM 750 O ARG B 12 20.098 2.407 5.952 1.00 0.00 O ATOM 751 CB ARG B 12 16.822 3.239 5.267 1.00 0.00 C ATOM 752 CG ARG B 12 17.120 4.648 4.750 1.00 0.00 C ATOM 753 CD ARG B 12 15.805 5.372 4.455 1.00 0.00 C ATOM 754 NE ARG B 12 15.438 6.037 5.735 1.00 0.00 N ATOM 755 CZ ARG B 12 14.220 5.942 6.193 1.00 0.00 C ATOM 756 NH1 ARG B 12 13.888 4.941 6.961 1.00 0.00 N ATOM 757 NH2 ARG B 12 13.334 6.848 5.882 1.00 0.00 N ATOM 0 H ARG B 12 16.350 0.899 4.883 1.00 0.00 H new ATOM 0 HA ARG B 12 18.547 2.697 4.044 1.00 0.00 H new ATOM 0 HB2 ARG B 12 15.880 2.880 4.852 1.00 0.00 H new ATOM 0 HB3 ARG B 12 16.708 3.254 6.351 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.696 5.204 5.490 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.728 4.595 3.847 1.00 0.00 H new ATOM 0 HD2 ARG B 12 15.926 6.100 3.652 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.032 4.673 4.137 1.00 0.00 H new ATOM 0 HE ARG B 12 16.138 6.567 6.254 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.581 4.233 7.203 1.00 0.00 H new ATOM 0 HH12 ARG B 12 12.936 4.867 7.319 1.00 0.00 H new ATOM 0 HH21 ARG B 12 13.594 7.630 5.281 1.00 0.00 H new ATOM 0 HH22 ARG B 12 12.382 6.774 6.240 1.00 0.00 H new ATOM 771 N GLU B 13 18.442 1.596 7.148 1.00 0.00 N ATOM 772 CA GLU B 13 19.337 1.381 8.322 1.00 0.00 C ATOM 773 C GLU B 13 20.668 0.785 7.859 1.00 0.00 C ATOM 774 O GLU B 13 21.724 1.152 8.335 1.00 0.00 O ATOM 775 CB GLU B 13 18.588 0.397 9.220 1.00 0.00 C ATOM 776 CG GLU B 13 18.715 0.840 10.679 1.00 0.00 C ATOM 777 CD GLU B 13 19.962 0.206 11.299 1.00 0.00 C ATOM 778 OE1 GLU B 13 20.846 -0.172 10.548 1.00 0.00 O ATOM 779 OE2 GLU B 13 20.011 0.109 12.514 1.00 0.00 O ATOM 0 H GLU B 13 17.469 1.322 7.287 1.00 0.00 H new ATOM 0 HA GLU B 13 19.567 2.309 8.846 1.00 0.00 H new ATOM 0 HB2 GLU B 13 17.538 0.353 8.932 1.00 0.00 H new ATOM 0 HB3 GLU B 13 18.995 -0.607 9.097 1.00 0.00 H new ATOM 0 HG2 GLU B 13 18.780 1.927 10.736 1.00 0.00 H new ATOM 0 HG3 GLU B 13 17.827 0.544 11.238 1.00 0.00 H new ATOM 786 N ARG B 14 20.625 -0.127 6.928 1.00 0.00 N ATOM 787 CA ARG B 14 21.887 -0.740 6.426 1.00 0.00 C ATOM 788 C ARG B 14 22.543 0.195 5.408 1.00 0.00 C ATOM 789 O ARG B 14 23.734 0.432 5.444 1.00 0.00 O ATOM 790 CB ARG B 14 21.456 -2.047 5.759 1.00 0.00 C ATOM 791 CG ARG B 14 22.623 -2.619 4.952 1.00 0.00 C ATOM 792 CD ARG B 14 22.434 -4.128 4.780 1.00 0.00 C ATOM 793 NE ARG B 14 21.410 -4.267 3.706 1.00 0.00 N ATOM 794 CZ ARG B 14 20.155 -4.438 4.019 1.00 0.00 C ATOM 795 NH1 ARG B 14 19.781 -5.515 4.654 1.00 0.00 N ATOM 796 NH2 ARG B 14 19.272 -3.534 3.694 1.00 0.00 N ATOM 0 H ARG B 14 19.770 -0.475 6.493 1.00 0.00 H new ATOM 0 HA ARG B 14 22.614 -0.914 7.220 1.00 0.00 H new ATOM 0 HB2 ARG B 14 21.136 -2.765 6.515 1.00 0.00 H new ATOM 0 HB3 ARG B 14 20.601 -1.870 5.106 1.00 0.00 H new ATOM 0 HG2 ARG B 14 22.676 -2.135 3.977 1.00 0.00 H new ATOM 0 HG3 ARG B 14 23.565 -2.415 5.461 1.00 0.00 H new ATOM 0 HD2 ARG B 14 23.369 -4.614 4.500 1.00 0.00 H new ATOM 0 HD3 ARG B 14 22.099 -4.592 5.708 1.00 0.00 H new ATOM 0 HE ARG B 14 21.690 -4.228 2.726 1.00 0.00 H new ATOM 0 HH11 ARG B 14 20.470 -6.224 4.906 1.00 0.00 H new ATOM 0 HH12 ARG B 14 18.800 -5.648 4.898 1.00 0.00 H new ATOM 0 HH21 ARG B 14 19.563 -2.693 3.195 1.00 0.00 H new ATOM 0 HH22 ARG B 14 18.291 -3.668 3.939 1.00 0.00 H new ATOM 810 N PHE B 15 21.771 0.734 4.504 1.00 0.00 N ATOM 811 CA PHE B 15 22.348 1.660 3.490 1.00 0.00 C ATOM 812 C PHE B 15 22.974 2.870 4.186 1.00 0.00 C ATOM 813 O PHE B 15 24.122 3.200 3.965 1.00 0.00 O ATOM 814 CB PHE B 15 21.164 2.093 2.624 1.00 0.00 C ATOM 815 CG PHE B 15 21.559 3.298 1.803 1.00 0.00 C ATOM 816 CD1 PHE B 15 21.446 4.583 2.347 1.00 0.00 C ATOM 817 CD2 PHE B 15 22.042 3.129 0.501 1.00 0.00 C ATOM 818 CE1 PHE B 15 21.817 5.699 1.588 1.00 0.00 C ATOM 819 CE2 PHE B 15 22.413 4.245 -0.259 1.00 0.00 C ATOM 820 CZ PHE B 15 22.300 5.531 0.285 1.00 0.00 C ATOM 0 H PHE B 15 20.767 0.573 4.424 1.00 0.00 H new ATOM 0 HA PHE B 15 23.132 1.189 2.897 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.860 1.276 1.969 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.307 2.333 3.253 1.00 0.00 H new ATOM 0 HD1 PHE B 15 21.073 4.713 3.352 1.00 0.00 H new ATOM 0 HD2 PHE B 15 22.129 2.137 0.082 1.00 0.00 H new ATOM 0 HE1 PHE B 15 21.731 6.690 2.008 1.00 0.00 H new ATOM 0 HE2 PHE B 15 22.786 4.114 -1.264 1.00 0.00 H new ATOM 0 HZ PHE B 15 22.585 6.392 -0.301 1.00 0.00 H new ATOM 830 N GLU B 16 22.227 3.531 5.028 1.00 0.00 N ATOM 831 CA GLU B 16 22.780 4.717 5.741 1.00 0.00 C ATOM 832 C GLU B 16 24.198 4.415 6.229 1.00 0.00 C ATOM 833 O GLU B 16 25.076 5.254 6.178 1.00 0.00 O ATOM 834 CB GLU B 16 21.841 4.941 6.927 1.00 0.00 C ATOM 835 CG GLU B 16 20.408 5.111 6.419 1.00 0.00 C ATOM 836 CD GLU B 16 19.949 6.551 6.655 1.00 0.00 C ATOM 837 OE1 GLU B 16 20.471 7.434 5.994 1.00 0.00 O ATOM 838 OE2 GLU B 16 19.085 6.747 7.494 1.00 0.00 O ATOM 0 H GLU B 16 21.259 3.301 5.253 1.00 0.00 H new ATOM 0 HA GLU B 16 22.840 5.597 5.101 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.897 4.096 7.613 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.148 5.826 7.485 1.00 0.00 H new ATOM 0 HG2 GLU B 16 20.357 4.871 5.357 1.00 0.00 H new ATOM 0 HG3 GLU B 16 19.744 4.417 6.935 1.00 0.00 H new ATOM 845 N GLN B 17 24.429 3.220 6.698 1.00 0.00 N ATOM 846 CA GLN B 17 25.791 2.861 7.184 1.00 0.00 C ATOM 847 C GLN B 17 26.798 2.957 6.035 1.00 0.00 C ATOM 848 O GLN B 17 27.847 3.555 6.168 1.00 0.00 O ATOM 849 CB GLN B 17 25.670 1.419 7.678 1.00 0.00 C ATOM 850 CG GLN B 17 24.832 1.387 8.958 1.00 0.00 C ATOM 851 CD GLN B 17 25.758 1.311 10.174 1.00 0.00 C ATOM 852 OE1 GLN B 17 26.814 1.911 10.186 1.00 0.00 O ATOM 853 NE2 GLN B 17 25.404 0.592 11.204 1.00 0.00 N ATOM 0 H GLN B 17 23.734 2.477 6.766 1.00 0.00 H new ATOM 0 HA GLN B 17 26.141 3.529 7.971 1.00 0.00 H new ATOM 0 HB2 GLN B 17 25.206 0.798 6.911 1.00 0.00 H new ATOM 0 HB3 GLN B 17 26.660 1.004 7.868 1.00 0.00 H new ATOM 0 HG2 GLN B 17 24.208 2.278 9.019 1.00 0.00 H new ATOM 0 HG3 GLN B 17 24.161 0.528 8.944 1.00 0.00 H new ATOM 0 HE21 GLN B 17 24.517 0.088 11.194 1.00 0.00 H new ATOM 0 HE22 GLN B 17 26.014 0.534 12.019 1.00 0.00 H new ATOM 862 N PHE B 18 26.485 2.381 4.905 1.00 0.00 N ATOM 863 CA PHE B 18 27.429 2.452 3.753 1.00 0.00 C ATOM 864 C PHE B 18 27.512 3.890 3.237 1.00 0.00 C ATOM 865 O PHE B 18 28.584 4.432 3.055 1.00 0.00 O ATOM 866 CB PHE B 18 26.837 1.529 2.686 1.00 0.00 C ATOM 867 CG PHE B 18 26.903 0.099 3.163 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.048 -0.367 3.820 1.00 0.00 C ATOM 869 CD2 PHE B 18 25.822 -0.763 2.943 1.00 0.00 C ATOM 870 CE1 PHE B 18 28.112 -1.694 4.258 1.00 0.00 C ATOM 871 CE2 PHE B 18 25.887 -2.091 3.380 1.00 0.00 C ATOM 872 CZ PHE B 18 27.032 -2.556 4.038 1.00 0.00 C ATOM 0 H PHE B 18 25.621 1.867 4.731 1.00 0.00 H new ATOM 0 HA PHE B 18 28.440 2.150 4.027 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.803 1.808 2.482 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.387 1.637 1.751 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.882 0.298 3.989 1.00 0.00 H new ATOM 0 HD2 PHE B 18 24.939 -0.403 2.436 1.00 0.00 H new ATOM 0 HE1 PHE B 18 28.995 -2.053 4.766 1.00 0.00 H new ATOM 0 HE2 PHE B 18 25.054 -2.757 3.210 1.00 0.00 H new ATOM 0 HZ PHE B 18 27.082 -3.581 4.376 1.00 0.00 H new ATOM 882 N ARG B 19 26.389 4.517 3.006 1.00 0.00 N ATOM 883 CA ARG B 19 26.414 5.923 2.511 1.00 0.00 C ATOM 884 C ARG B 19 27.437 6.733 3.310 1.00 0.00 C ATOM 885 O ARG B 19 28.493 7.075 2.817 1.00 0.00 O ATOM 886 CB ARG B 19 25.001 6.457 2.749 1.00 0.00 C ATOM 887 CG ARG B 19 24.959 7.952 2.425 1.00 0.00 C ATOM 888 CD ARG B 19 23.678 8.274 1.652 1.00 0.00 C ATOM 889 NE ARG B 19 23.895 9.642 1.104 1.00 0.00 N ATOM 890 CZ ARG B 19 23.840 9.846 -0.184 1.00 0.00 C ATOM 891 NH1 ARG B 19 24.276 8.932 -1.008 1.00 0.00 N ATOM 892 NH2 ARG B 19 23.348 10.962 -0.648 1.00 0.00 N ATOM 0 H ARG B 19 25.460 4.118 3.138 1.00 0.00 H new ATOM 0 HA ARG B 19 26.697 5.990 1.461 1.00 0.00 H new ATOM 0 HB2 ARG B 19 24.287 5.919 2.125 1.00 0.00 H new ATOM 0 HB3 ARG B 19 24.708 6.290 3.785 1.00 0.00 H new ATOM 0 HG2 ARG B 19 24.997 8.535 3.345 1.00 0.00 H new ATOM 0 HG3 ARG B 19 25.832 8.231 1.835 1.00 0.00 H new ATOM 0 HD2 ARG B 19 23.506 7.552 0.854 1.00 0.00 H new ATOM 0 HD3 ARG B 19 22.805 8.243 2.304 1.00 0.00 H new ATOM 0 HE ARG B 19 24.087 10.420 1.736 1.00 0.00 H new ATOM 0 HH11 ARG B 19 24.659 8.059 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG B 19 24.233 9.091 -2.015 1.00 0.00 H new ATOM 0 HH21 ARG B 19 23.006 11.675 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG B 19 23.305 11.121 -1.655 1.00 0.00 H new ATOM 906 N GLU B 20 27.136 7.035 4.544 1.00 0.00 N ATOM 907 CA GLU B 20 28.101 7.813 5.371 1.00 0.00 C ATOM 908 C GLU B 20 29.508 7.244 5.186 1.00 0.00 C ATOM 909 O GLU B 20 30.445 7.959 4.892 1.00 0.00 O ATOM 910 CB GLU B 20 27.629 7.628 6.814 1.00 0.00 C ATOM 911 CG GLU B 20 26.300 8.359 7.014 1.00 0.00 C ATOM 912 CD GLU B 20 25.752 8.051 8.408 1.00 0.00 C ATOM 913 OE1 GLU B 20 25.482 6.892 8.675 1.00 0.00 O ATOM 914 OE2 GLU B 20 25.610 8.981 9.186 1.00 0.00 O ATOM 0 H GLU B 20 26.268 6.778 5.013 1.00 0.00 H new ATOM 0 HA GLU B 20 28.138 8.866 5.093 1.00 0.00 H new ATOM 0 HB2 GLU B 20 27.510 6.567 7.036 1.00 0.00 H new ATOM 0 HB3 GLU B 20 28.377 8.016 7.505 1.00 0.00 H new ATOM 0 HG2 GLU B 20 26.443 9.433 6.897 1.00 0.00 H new ATOM 0 HG3 GLU B 20 25.584 8.048 6.253 1.00 0.00 H new ATOM 921 N ARG B 21 29.661 5.957 5.347 1.00 0.00 N ATOM 922 CA ARG B 21 31.006 5.342 5.168 1.00 0.00 C ATOM 923 C ARG B 21 31.548 5.688 3.780 1.00 0.00 C ATOM 924 O ARG B 21 32.712 5.996 3.616 1.00 0.00 O ATOM 925 CB ARG B 21 30.775 3.836 5.300 1.00 0.00 C ATOM 926 CG ARG B 21 32.025 3.177 5.887 1.00 0.00 C ATOM 927 CD ARG B 21 32.019 3.335 7.409 1.00 0.00 C ATOM 928 NE ARG B 21 33.210 2.574 7.879 1.00 0.00 N ATOM 929 CZ ARG B 21 33.559 2.620 9.136 1.00 0.00 C ATOM 930 NH1 ARG B 21 34.030 3.727 9.642 1.00 0.00 N ATOM 931 NH2 ARG B 21 33.437 1.559 9.886 1.00 0.00 N ATOM 0 H ARG B 21 28.915 5.307 5.594 1.00 0.00 H new ATOM 0 HA ARG B 21 31.733 5.701 5.896 1.00 0.00 H new ATOM 0 HB2 ARG B 21 29.915 3.644 5.941 1.00 0.00 H new ATOM 0 HB3 ARG B 21 30.548 3.405 4.325 1.00 0.00 H new ATOM 0 HG2 ARG B 21 32.051 2.120 5.621 1.00 0.00 H new ATOM 0 HG3 ARG B 21 32.921 3.634 5.467 1.00 0.00 H new ATOM 0 HD2 ARG B 21 32.082 4.384 7.697 1.00 0.00 H new ATOM 0 HD3 ARG B 21 31.101 2.939 7.843 1.00 0.00 H new ATOM 0 HE ARG B 21 33.753 2.017 7.219 1.00 0.00 H new ATOM 0 HH11 ARG B 21 34.125 4.556 9.055 1.00 0.00 H new ATOM 0 HH12 ARG B 21 34.303 3.763 10.624 1.00 0.00 H new ATOM 0 HH21 ARG B 21 33.069 0.694 9.490 1.00 0.00 H new ATOM 0 HH22 ARG B 21 33.710 1.595 10.868 1.00 0.00 H new ATOM 945 N ASN B 22 30.709 5.649 2.780 1.00 0.00 N ATOM 946 CA ASN B 22 31.175 5.988 1.406 1.00 0.00 C ATOM 947 C ASN B 22 31.993 7.279 1.446 1.00 0.00 C ATOM 948 O ASN B 22 33.084 7.352 0.917 1.00 0.00 O ATOM 949 CB ASN B 22 29.899 6.183 0.587 1.00 0.00 C ATOM 950 CG ASN B 22 30.199 5.936 -0.892 1.00 0.00 C ATOM 951 OD1 ASN B 22 31.268 5.475 -1.239 1.00 0.00 O ATOM 952 ND2 ASN B 22 29.294 6.226 -1.787 1.00 0.00 N ATOM 0 H ASN B 22 29.723 5.398 2.855 1.00 0.00 H new ATOM 0 HA ASN B 22 31.812 5.214 0.977 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.125 5.497 0.931 1.00 0.00 H new ATOM 0 HB3 ASN B 22 29.515 7.193 0.727 1.00 0.00 H new ATOM 0 HD21 ASN B 22 29.485 6.065 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN B 22 28.396 6.613 -1.497 1.00 0.00 H new ATOM 959 N GLU B 23 31.476 8.296 2.081 1.00 0.00 N ATOM 960 CA GLU B 23 32.229 9.578 2.166 1.00 0.00 C ATOM 961 C GLU B 23 33.568 9.342 2.868 1.00 0.00 C ATOM 962 O GLU B 23 34.613 9.717 2.377 1.00 0.00 O ATOM 963 CB GLU B 23 31.342 10.508 2.995 1.00 0.00 C ATOM 964 CG GLU B 23 31.987 11.893 3.073 1.00 0.00 C ATOM 965 CD GLU B 23 31.221 12.757 4.076 1.00 0.00 C ATOM 966 OE1 GLU B 23 30.400 12.211 4.794 1.00 0.00 O ATOM 967 OE2 GLU B 23 31.470 13.951 4.110 1.00 0.00 O ATOM 0 H GLU B 23 30.567 8.294 2.543 1.00 0.00 H new ATOM 0 HA GLU B 23 32.448 10.001 1.185 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.352 10.581 2.544 1.00 0.00 H new ATOM 0 HB3 GLU B 23 31.207 10.101 3.997 1.00 0.00 H new ATOM 0 HG2 GLU B 23 33.030 11.803 3.376 1.00 0.00 H new ATOM 0 HG3 GLU B 23 31.980 12.365 2.090 1.00 0.00 H new ATOM 974 N ALA B 24 33.542 8.714 4.013 1.00 0.00 N ATOM 975 CA ALA B 24 34.814 8.444 4.742 1.00 0.00 C ATOM 976 C ALA B 24 35.788 7.702 3.826 1.00 0.00 C ATOM 977 O ALA B 24 36.910 8.123 3.623 1.00 0.00 O ATOM 978 CB ALA B 24 34.414 7.565 5.927 1.00 0.00 C ATOM 0 H ALA B 24 32.697 8.377 4.474 1.00 0.00 H new ATOM 0 HA ALA B 24 35.311 9.358 5.067 1.00 0.00 H new ATOM 0 HB1 ALA B 24 35.299 7.322 6.515 1.00 0.00 H new ATOM 0 HB2 ALA B 24 33.699 8.100 6.552 1.00 0.00 H new ATOM 0 HB3 ALA B 24 33.958 6.645 5.560 1.00 0.00 H new ATOM 984 N LEU B 25 35.364 6.603 3.262 1.00 0.00 N ATOM 985 CA LEU B 25 36.262 5.840 2.352 1.00 0.00 C ATOM 986 C LEU B 25 36.585 6.684 1.118 1.00 0.00 C ATOM 987 O LEU B 25 37.641 6.564 0.529 1.00 0.00 O ATOM 988 CB LEU B 25 35.470 4.592 1.962 1.00 0.00 C ATOM 989 CG LEU B 25 36.128 3.358 2.580 1.00 0.00 C ATOM 990 CD1 LEU B 25 35.319 2.110 2.219 1.00 0.00 C ATOM 991 CD2 LEU B 25 37.552 3.215 2.039 1.00 0.00 C ATOM 0 H LEU B 25 34.435 6.202 3.393 1.00 0.00 H new ATOM 0 HA LEU B 25 37.211 5.582 2.822 1.00 0.00 H new ATOM 0 HB2 LEU B 25 34.440 4.679 2.307 1.00 0.00 H new ATOM 0 HB3 LEU B 25 35.436 4.494 0.877 1.00 0.00 H new ATOM 0 HG LEU B 25 36.159 3.469 3.664 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.789 1.231 2.660 1.00 0.00 H new ATOM 0 HD12 LEU B 25 34.304 2.210 2.604 1.00 0.00 H new ATOM 0 HD13 LEU B 25 35.286 1.998 1.135 1.00 0.00 H new ATOM 0 HD21 LEU B 25 38.022 2.335 2.479 1.00 0.00 H new ATOM 0 HD22 LEU B 25 37.520 3.105 0.955 1.00 0.00 H new ATOM 0 HD23 LEU B 25 38.130 4.102 2.297 1.00 0.00 H new ATOM 1003 N GLU B 26 35.686 7.547 0.726 1.00 0.00 N ATOM 1004 CA GLU B 26 35.953 8.404 -0.462 1.00 0.00 C ATOM 1005 C GLU B 26 37.291 9.122 -0.279 1.00 0.00 C ATOM 1006 O GLU B 26 38.121 9.148 -1.165 1.00 0.00 O ATOM 1007 CB GLU B 26 34.801 9.409 -0.496 1.00 0.00 C ATOM 1008 CG GLU B 26 34.825 10.168 -1.824 1.00 0.00 C ATOM 1009 CD GLU B 26 33.505 10.919 -2.007 1.00 0.00 C ATOM 1010 OE1 GLU B 26 32.468 10.319 -1.776 1.00 0.00 O ATOM 1011 OE2 GLU B 26 33.554 12.082 -2.373 1.00 0.00 O ATOM 0 H GLU B 26 34.782 7.694 1.176 1.00 0.00 H new ATOM 0 HA GLU B 26 36.013 7.833 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU B 26 33.849 8.891 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU B 26 34.889 10.108 0.336 1.00 0.00 H new ATOM 0 HG2 GLU B 26 35.660 10.869 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU B 26 34.978 9.473 -2.650 1.00 0.00 H new ATOM 1018 N LEU B 27 37.508 9.693 0.874 1.00 0.00 N ATOM 1019 CA LEU B 27 38.796 10.398 1.127 1.00 0.00 C ATOM 1020 C LEU B 27 39.929 9.375 1.228 1.00 0.00 C ATOM 1021 O LEU B 27 41.019 9.588 0.736 1.00 0.00 O ATOM 1022 CB LEU B 27 38.598 11.116 2.463 1.00 0.00 C ATOM 1023 CG LEU B 27 39.773 12.063 2.715 1.00 0.00 C ATOM 1024 CD1 LEU B 27 39.258 13.499 2.822 1.00 0.00 C ATOM 1025 CD2 LEU B 27 40.468 11.673 4.021 1.00 0.00 C ATOM 0 H LEU B 27 36.849 9.702 1.652 1.00 0.00 H new ATOM 0 HA LEU B 27 39.058 11.094 0.330 1.00 0.00 H new ATOM 0 HB2 LEU B 27 37.663 11.676 2.452 1.00 0.00 H new ATOM 0 HB3 LEU B 27 38.524 10.388 3.271 1.00 0.00 H new ATOM 0 HG LEU B 27 40.481 11.992 1.889 1.00 0.00 H new ATOM 0 HD11 LEU B 27 40.095 14.173 3.002 1.00 0.00 H new ATOM 0 HD12 LEU B 27 38.761 13.777 1.893 1.00 0.00 H new ATOM 0 HD13 LEU B 27 38.550 13.571 3.648 1.00 0.00 H new ATOM 0 HD21 LEU B 27 41.306 12.346 4.203 1.00 0.00 H new ATOM 0 HD22 LEU B 27 39.759 11.745 4.846 1.00 0.00 H new ATOM 0 HD23 LEU B 27 40.835 10.649 3.946 1.00 0.00 H new ATOM 1037 N LYS B 28 39.674 8.260 1.857 1.00 0.00 N ATOM 1038 CA LYS B 28 40.729 7.215 1.986 1.00 0.00 C ATOM 1039 C LYS B 28 41.396 6.980 0.627 1.00 0.00 C ATOM 1040 O LYS B 28 42.603 7.031 0.500 1.00 0.00 O ATOM 1041 CB LYS B 28 39.983 5.960 2.452 1.00 0.00 C ATOM 1042 CG LYS B 28 40.821 4.714 2.153 1.00 0.00 C ATOM 1043 CD LYS B 28 42.241 4.915 2.686 1.00 0.00 C ATOM 1044 CE LYS B 28 42.553 3.839 3.728 1.00 0.00 C ATOM 1045 NZ LYS B 28 42.934 4.592 4.956 1.00 0.00 N ATOM 0 H LYS B 28 38.779 8.027 2.288 1.00 0.00 H new ATOM 0 HA LYS B 28 41.519 7.497 2.682 1.00 0.00 H new ATOM 0 HB2 LYS B 28 39.779 6.024 3.521 1.00 0.00 H new ATOM 0 HB3 LYS B 28 39.020 5.891 1.947 1.00 0.00 H new ATOM 0 HG2 LYS B 28 40.368 3.838 2.617 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.847 4.529 1.079 1.00 0.00 H new ATOM 0 HD2 LYS B 28 42.959 4.862 1.867 1.00 0.00 H new ATOM 0 HD3 LYS B 28 42.337 5.905 3.131 1.00 0.00 H new ATOM 0 HE2 LYS B 28 41.688 3.201 3.908 1.00 0.00 H new ATOM 0 HE3 LYS B 28 43.363 3.190 3.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 43.163 3.922 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 43.765 5.185 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 42.141 5.196 5.253 1.00 0.00 H new ATOM 1059 N ASP B 29 40.617 6.725 -0.388 1.00 0.00 N ATOM 1060 CA ASP B 29 41.204 6.490 -1.738 1.00 0.00 C ATOM 1061 C ASP B 29 41.833 7.781 -2.270 1.00 0.00 C ATOM 1062 O ASP B 29 42.857 7.760 -2.924 1.00 0.00 O ATOM 1063 CB ASP B 29 40.026 6.065 -2.615 1.00 0.00 C ATOM 1064 CG ASP B 29 39.946 4.538 -2.659 1.00 0.00 C ATOM 1065 OD1 ASP B 29 40.112 3.926 -1.616 1.00 0.00 O ATOM 1066 OD2 ASP B 29 39.721 4.007 -3.733 1.00 0.00 O ATOM 0 H ASP B 29 39.600 6.669 -0.341 1.00 0.00 H new ATOM 0 HA ASP B 29 41.991 5.736 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP B 29 39.098 6.477 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP B 29 40.147 6.462 -3.623 1.00 0.00 H new ATOM 1071 N ALA B 30 41.230 8.904 -1.991 1.00 0.00 N ATOM 1072 CA ALA B 30 41.797 10.194 -2.479 1.00 0.00 C ATOM 1073 C ALA B 30 43.128 10.480 -1.780 1.00 0.00 C ATOM 1074 O ALA B 30 43.957 11.216 -2.277 1.00 0.00 O ATOM 1075 CB ALA B 30 40.757 11.251 -2.105 1.00 0.00 C ATOM 0 H ALA B 30 40.371 8.985 -1.447 1.00 0.00 H new ATOM 0 HA ALA B 30 41.996 10.180 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA B 30 41.102 12.232 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA B 30 39.810 11.018 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA B 30 40.617 11.257 -1.024 1.00 0.00 H new ATOM 1081 N GLN B 31 43.340 9.899 -0.630 1.00 0.00 N ATOM 1082 CA GLN B 31 44.617 10.134 0.101 1.00 0.00 C ATOM 1083 C GLN B 31 45.548 8.930 -0.066 1.00 0.00 C ATOM 1084 O GLN B 31 46.432 8.926 -0.900 1.00 0.00 O ATOM 1085 CB GLN B 31 44.211 10.299 1.566 1.00 0.00 C ATOM 1086 CG GLN B 31 44.295 11.775 1.956 1.00 0.00 C ATOM 1087 CD GLN B 31 45.758 12.161 2.182 1.00 0.00 C ATOM 1088 OE1 GLN B 31 46.307 12.961 1.451 1.00 0.00 O ATOM 1089 NE2 GLN B 31 46.418 11.622 3.170 1.00 0.00 N ATOM 0 H GLN B 31 42.683 9.272 -0.165 1.00 0.00 H new ATOM 0 HA GLN B 31 45.154 11.006 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN B 31 43.197 9.929 1.717 1.00 0.00 H new ATOM 0 HB3 GLN B 31 44.865 9.705 2.205 1.00 0.00 H new ATOM 0 HG2 GLN B 31 43.861 12.395 1.171 1.00 0.00 H new ATOM 0 HG3 GLN B 31 43.716 11.956 2.862 1.00 0.00 H new ATOM 0 HE21 GLN B 31 45.958 10.950 3.784 1.00 0.00 H new ATOM 0 HE22 GLN B 31 47.394 11.872 3.328 1.00 0.00 H new