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 8 GLN : amide:sc= 0.832 K(o=2,f=0.45!) USER MOD Set 1.2: B 6 THR OG1 : rot -144:sc= 1.19 USER MOD Set 2.1: A 6 THR OG1 : rot -138:sc= 0.657 USER MOD Set 2.2: B 8 GLN : amide:sc= -0.0209! C(o=0.64!,f=-0.67!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 22 ASN : amide:sc= -0.653 K(o=-0.65,f=-0.093) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00719 K(o=-0.0072,f=-2.1!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 22 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.056) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc=-0.00842 K(o=-0.0084,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 14.636 -1.366 -3.345 1.00 0.00 N ATOM 38 CA TYR A 4 15.972 -0.849 -3.760 1.00 0.00 C ATOM 39 C TYR A 4 16.610 -0.047 -2.622 1.00 0.00 C ATOM 40 O TYR A 4 15.948 0.692 -1.921 1.00 0.00 O ATOM 41 CB TYR A 4 15.691 0.056 -4.960 1.00 0.00 C ATOM 42 CG TYR A 4 16.556 -0.366 -6.124 1.00 0.00 C ATOM 43 CD1 TYR A 4 16.191 -1.469 -6.905 1.00 0.00 C ATOM 44 CD2 TYR A 4 17.724 0.347 -6.422 1.00 0.00 C ATOM 45 CE1 TYR A 4 16.992 -1.858 -7.985 1.00 0.00 C ATOM 46 CE2 TYR A 4 18.526 -0.043 -7.502 1.00 0.00 C ATOM 47 CZ TYR A 4 18.160 -1.146 -8.283 1.00 0.00 C ATOM 48 OH TYR A 4 18.950 -1.530 -9.348 1.00 0.00 O ATOM 0 HA TYR A 4 16.665 -1.653 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.638 -0.004 -5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 4 15.894 1.095 -4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 4 15.291 -2.020 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 4 18.006 1.197 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 4 16.709 -2.708 -8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 4 19.427 0.507 -7.732 1.00 0.00 H new ATOM 0 HH TYR A 4 19.721 -0.929 -9.417 1.00 0.00 H new ATOM 58 N PHE A 5 17.894 -0.187 -2.437 1.00 0.00 N ATOM 59 CA PHE A 5 18.580 0.568 -1.349 1.00 0.00 C ATOM 60 C PHE A 5 19.789 1.316 -1.916 1.00 0.00 C ATOM 61 O PHE A 5 20.682 0.725 -2.485 1.00 0.00 O ATOM 62 CB PHE A 5 19.029 -0.498 -0.349 1.00 0.00 C ATOM 63 CG PHE A 5 17.837 -1.323 0.075 1.00 0.00 C ATOM 64 CD1 PHE A 5 17.349 -2.331 -0.765 1.00 0.00 C ATOM 65 CD2 PHE A 5 17.221 -1.080 1.309 1.00 0.00 C ATOM 66 CE1 PHE A 5 16.244 -3.095 -0.372 1.00 0.00 C ATOM 67 CE2 PHE A 5 16.116 -1.845 1.702 1.00 0.00 C ATOM 68 CZ PHE A 5 15.628 -2.852 0.861 1.00 0.00 C ATOM 0 H PHE A 5 18.499 -0.792 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 5 17.931 1.311 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 5 19.787 -1.139 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 5 19.487 -0.027 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.825 -2.519 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 5 17.598 -0.303 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 5 15.867 -3.872 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 5 15.640 -1.658 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.776 -3.442 1.164 1.00 0.00 H new ATOM 78 N THR A 6 19.825 2.612 -1.768 1.00 0.00 N ATOM 79 CA THR A 6 20.979 3.387 -2.306 1.00 0.00 C ATOM 80 C THR A 6 21.714 4.105 -1.172 1.00 0.00 C ATOM 81 O THR A 6 21.112 4.568 -0.224 1.00 0.00 O ATOM 82 CB THR A 6 20.361 4.402 -3.269 1.00 0.00 C ATOM 83 OG1 THR A 6 19.872 3.725 -4.418 1.00 0.00 O ATOM 84 CG2 THR A 6 21.420 5.423 -3.686 1.00 0.00 C ATOM 0 H THR A 6 19.108 3.166 -1.300 1.00 0.00 H new ATOM 0 HA THR A 6 21.709 2.746 -2.800 1.00 0.00 H new ATOM 0 HB THR A 6 19.538 4.919 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.091 4.243 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 6 20.978 6.146 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.793 5.942 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 6 22.245 4.910 -4.181 1.00 0.00 H new ATOM 92 N LEU A 7 23.013 4.199 -1.263 1.00 0.00 N ATOM 93 CA LEU A 7 23.788 4.886 -0.190 1.00 0.00 C ATOM 94 C LEU A 7 24.609 6.034 -0.783 1.00 0.00 C ATOM 95 O LEU A 7 24.923 6.045 -1.956 1.00 0.00 O ATOM 96 CB LEU A 7 24.710 3.809 0.382 1.00 0.00 C ATOM 97 CG LEU A 7 24.102 3.245 1.666 1.00 0.00 C ATOM 98 CD1 LEU A 7 24.881 2.001 2.097 1.00 0.00 C ATOM 99 CD2 LEU A 7 24.178 4.301 2.771 1.00 0.00 C ATOM 0 H LEU A 7 23.571 3.830 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 7 23.142 5.319 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.851 3.011 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 7 25.694 4.230 0.588 1.00 0.00 H new ATOM 0 HG LEU A 7 23.061 2.977 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.447 1.599 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 7 24.829 1.248 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.923 2.268 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 7 23.745 3.900 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.220 4.568 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 7 23.624 5.188 2.465 1.00 0.00 H new ATOM 111 N GLN A 8 24.961 7.000 0.021 1.00 0.00 N ATOM 112 CA GLN A 8 25.764 8.144 -0.496 1.00 0.00 C ATOM 113 C GLN A 8 27.071 8.269 0.292 1.00 0.00 C ATOM 114 O GLN A 8 27.102 8.078 1.492 1.00 0.00 O ATOM 115 CB GLN A 8 24.885 9.376 -0.278 1.00 0.00 C ATOM 116 CG GLN A 8 23.732 9.366 -1.283 1.00 0.00 C ATOM 117 CD GLN A 8 23.628 10.737 -1.954 1.00 0.00 C ATOM 118 OE1 GLN A 8 24.101 10.923 -3.058 1.00 0.00 O ATOM 119 NE2 GLN A 8 23.025 11.711 -1.330 1.00 0.00 N ATOM 0 H GLN A 8 24.727 7.046 1.013 1.00 0.00 H new ATOM 0 HA GLN A 8 26.036 8.019 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 8 24.494 9.381 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 8 25.477 10.284 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 8 23.897 8.593 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.797 9.125 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.628 11.555 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.950 12.629 -1.769 1.00 0.00 H new ATOM 128 N ILE A 9 28.149 8.586 -0.371 1.00 0.00 N ATOM 129 CA ILE A 9 29.450 8.720 0.347 1.00 0.00 C ATOM 130 C ILE A 9 30.179 9.988 -0.105 1.00 0.00 C ATOM 131 O ILE A 9 30.048 10.423 -1.232 1.00 0.00 O ATOM 132 CB ILE A 9 30.249 7.478 -0.045 1.00 0.00 C ATOM 133 CG1 ILE A 9 29.546 6.229 0.491 1.00 0.00 C ATOM 134 CG2 ILE A 9 31.655 7.565 0.553 1.00 0.00 C ATOM 135 CD1 ILE A 9 29.262 5.268 -0.664 1.00 0.00 C ATOM 0 H ILE A 9 28.186 8.758 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 9 29.317 8.798 1.426 1.00 0.00 H new ATOM 0 HB ILE A 9 30.318 7.420 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 9 30.170 5.741 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 9 28.615 6.507 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 9 32.225 6.679 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 9 32.158 8.454 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 9 31.585 7.624 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 9 28.761 4.378 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 9 28.621 5.759 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 30.201 4.981 -1.138 1.00 0.00 H new ATOM 147 N ARG A 10 30.949 10.580 0.766 1.00 0.00 N ATOM 148 CA ARG A 10 31.690 11.816 0.388 1.00 0.00 C ATOM 149 C ARG A 10 33.192 11.616 0.611 1.00 0.00 C ATOM 150 O ARG A 10 33.932 12.559 0.807 1.00 0.00 O ATOM 151 CB ARG A 10 31.148 12.905 1.315 1.00 0.00 C ATOM 152 CG ARG A 10 31.393 12.507 2.772 1.00 0.00 C ATOM 153 CD ARG A 10 31.815 13.741 3.573 1.00 0.00 C ATOM 154 NE ARG A 10 30.797 13.865 4.652 1.00 0.00 N ATOM 155 CZ ARG A 10 31.129 13.634 5.893 1.00 0.00 C ATOM 156 NH1 ARG A 10 31.948 14.440 6.511 1.00 0.00 N ATOM 157 NH2 ARG A 10 30.643 12.595 6.515 1.00 0.00 N ATOM 0 H ARG A 10 31.097 10.261 1.723 1.00 0.00 H new ATOM 0 HA ARG A 10 31.555 12.075 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 10 31.636 13.856 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 10 30.082 13.048 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.488 12.075 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 10 32.168 11.742 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.816 13.620 3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.835 14.632 2.945 1.00 0.00 H new ATOM 0 HE ARG A 10 29.840 14.131 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.329 15.251 6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.207 14.259 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.004 11.964 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.902 12.414 7.485 1.00 0.00 H new ATOM 171 N GLY A 11 33.645 10.392 0.583 1.00 0.00 N ATOM 172 CA GLY A 11 35.097 10.128 0.793 1.00 0.00 C ATOM 173 C GLY A 11 35.559 9.026 -0.163 1.00 0.00 C ATOM 174 O GLY A 11 35.008 7.943 -0.190 1.00 0.00 O ATOM 0 H GLY A 11 33.072 9.563 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.672 11.038 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.277 9.828 1.825 1.00 0.00 H new ATOM 178 N ARG A 12 36.565 9.294 -0.950 1.00 0.00 N ATOM 179 CA ARG A 12 37.061 8.262 -1.906 1.00 0.00 C ATOM 180 C ARG A 12 37.723 7.107 -1.147 1.00 0.00 C ATOM 181 O ARG A 12 37.447 5.950 -1.395 1.00 0.00 O ATOM 182 CB ARG A 12 38.085 8.990 -2.776 1.00 0.00 C ATOM 183 CG ARG A 12 38.029 8.438 -4.202 1.00 0.00 C ATOM 184 CD ARG A 12 38.537 9.497 -5.183 1.00 0.00 C ATOM 185 NE ARG A 12 38.330 8.901 -6.532 1.00 0.00 N ATOM 186 CZ ARG A 12 38.853 7.740 -6.820 1.00 0.00 C ATOM 187 NH1 ARG A 12 40.120 7.652 -7.119 1.00 0.00 N ATOM 188 NH2 ARG A 12 38.109 6.668 -6.809 1.00 0.00 N ATOM 0 H ARG A 12 37.065 10.183 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 12 36.256 7.828 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 12 37.878 10.060 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.086 8.860 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 12 38.637 7.536 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 12 37.007 8.155 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 12 37.986 10.432 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 12 39.589 9.725 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 12 37.780 9.400 -7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 12 40.701 8.490 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 12 40.529 6.745 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 12 37.119 6.737 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 12 38.518 5.761 -7.034 1.00 0.00 H new ATOM 202 N GLU A 13 38.595 7.412 -0.226 1.00 0.00 N ATOM 203 CA GLU A 13 39.275 6.331 0.547 1.00 0.00 C ATOM 204 C GLU A 13 38.243 5.362 1.134 1.00 0.00 C ATOM 205 O GLU A 13 38.468 4.170 1.206 1.00 0.00 O ATOM 206 CB GLU A 13 40.024 7.057 1.665 1.00 0.00 C ATOM 207 CG GLU A 13 41.365 6.365 1.915 1.00 0.00 C ATOM 208 CD GLU A 13 42.489 7.403 1.885 1.00 0.00 C ATOM 209 OE1 GLU A 13 42.361 8.405 2.568 1.00 0.00 O ATOM 210 OE2 GLU A 13 43.459 7.177 1.180 1.00 0.00 O ATOM 0 H GLU A 13 38.867 8.362 0.026 1.00 0.00 H new ATOM 0 HA GLU A 13 39.944 5.738 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 40.186 8.099 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 13 39.427 7.056 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 13 41.350 5.857 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 13 41.540 5.602 1.156 1.00 0.00 H new ATOM 217 N ARG A 14 37.113 5.864 1.550 1.00 0.00 N ATOM 218 CA ARG A 14 36.066 4.978 2.126 1.00 0.00 C ATOM 219 C ARG A 14 35.247 4.351 0.997 1.00 0.00 C ATOM 220 O ARG A 14 34.861 3.197 1.054 1.00 0.00 O ATOM 221 CB ARG A 14 35.195 5.899 2.982 1.00 0.00 C ATOM 222 CG ARG A 14 36.072 6.622 4.007 1.00 0.00 C ATOM 223 CD ARG A 14 36.173 8.105 3.642 1.00 0.00 C ATOM 224 NE ARG A 14 37.470 8.555 4.219 1.00 0.00 N ATOM 225 CZ ARG A 14 38.201 9.429 3.582 1.00 0.00 C ATOM 226 NH1 ARG A 14 37.635 10.444 2.989 1.00 0.00 N ATOM 227 NH2 ARG A 14 39.498 9.288 3.539 1.00 0.00 N ATOM 0 H ARG A 14 36.870 6.854 1.515 1.00 0.00 H new ATOM 0 HA ARG A 14 36.483 4.160 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 14 34.683 6.624 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 14 34.425 5.319 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 14 35.649 6.511 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 14 37.066 6.174 4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 14 36.150 8.248 2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 14 35.339 8.671 4.056 1.00 0.00 H new ATOM 0 HE ARG A 14 37.787 8.180 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 14 36.622 10.554 3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 14 38.206 11.127 2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 14 39.940 8.495 4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 14 40.069 9.971 3.041 1.00 0.00 H new ATOM 241 N PHE A 15 34.982 5.105 -0.035 1.00 0.00 N ATOM 242 CA PHE A 15 34.195 4.549 -1.166 1.00 0.00 C ATOM 243 C PHE A 15 34.836 3.246 -1.637 1.00 0.00 C ATOM 244 O PHE A 15 34.173 2.240 -1.804 1.00 0.00 O ATOM 245 CB PHE A 15 34.254 5.608 -2.267 1.00 0.00 C ATOM 246 CG PHE A 15 33.363 5.181 -3.407 1.00 0.00 C ATOM 247 CD1 PHE A 15 31.974 5.162 -3.238 1.00 0.00 C ATOM 248 CD2 PHE A 15 33.925 4.795 -4.630 1.00 0.00 C ATOM 249 CE1 PHE A 15 31.146 4.759 -4.291 1.00 0.00 C ATOM 250 CE2 PHE A 15 33.097 4.390 -5.683 1.00 0.00 C ATOM 251 CZ PHE A 15 31.708 4.372 -5.514 1.00 0.00 C ATOM 0 H PHE A 15 35.276 6.076 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 15 33.165 4.327 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 15 33.931 6.574 -1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.279 5.731 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 31.541 5.459 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 15 34.997 4.810 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 15 30.074 4.746 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 15 33.530 4.091 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 15 31.069 4.060 -6.327 1.00 0.00 H new ATOM 261 N GLU A 16 36.125 3.251 -1.840 1.00 0.00 N ATOM 262 CA GLU A 16 36.809 2.007 -2.285 1.00 0.00 C ATOM 263 C GLU A 16 36.292 0.826 -1.465 1.00 0.00 C ATOM 264 O GLU A 16 36.163 -0.278 -1.955 1.00 0.00 O ATOM 265 CB GLU A 16 38.293 2.245 -2.004 1.00 0.00 C ATOM 266 CG GLU A 16 38.831 3.310 -2.962 1.00 0.00 C ATOM 267 CD GLU A 16 40.135 2.818 -3.592 1.00 0.00 C ATOM 268 OE1 GLU A 16 40.285 1.615 -3.733 1.00 0.00 O ATOM 269 OE2 GLU A 16 40.962 3.652 -3.922 1.00 0.00 O ATOM 0 H GLU A 16 36.732 4.062 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 16 36.631 1.781 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.431 2.566 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.850 1.316 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.096 3.520 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.003 4.243 -2.426 1.00 0.00 H new ATOM 276 N GLN A 17 35.988 1.056 -0.216 1.00 0.00 N ATOM 277 CA GLN A 17 35.470 -0.051 0.637 1.00 0.00 C ATOM 278 C GLN A 17 34.055 -0.435 0.193 1.00 0.00 C ATOM 279 O GLN A 17 33.759 -1.590 -0.056 1.00 0.00 O ATOM 280 CB GLN A 17 35.453 0.519 2.056 1.00 0.00 C ATOM 281 CG GLN A 17 36.807 1.162 2.364 1.00 0.00 C ATOM 282 CD GLN A 17 37.102 1.042 3.860 1.00 0.00 C ATOM 283 OE1 GLN A 17 36.219 1.193 4.680 1.00 0.00 O ATOM 284 NE2 GLN A 17 38.318 0.775 4.253 1.00 0.00 N ATOM 0 H GLN A 17 36.076 1.960 0.249 1.00 0.00 H new ATOM 0 HA GLN A 17 36.081 -0.951 0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.657 1.258 2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.243 -0.273 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.593 0.674 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.799 2.211 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.060 0.648 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 17 38.526 0.693 5.248 1.00 0.00 H new ATOM 293 N PHE A 18 33.179 0.527 0.085 1.00 0.00 N ATOM 294 CA PHE A 18 31.785 0.218 -0.348 1.00 0.00 C ATOM 295 C PHE A 18 31.800 -0.438 -1.731 1.00 0.00 C ATOM 296 O PHE A 18 31.344 -1.551 -1.903 1.00 0.00 O ATOM 297 CB PHE A 18 31.073 1.570 -0.393 1.00 0.00 C ATOM 298 CG PHE A 18 30.840 2.055 1.018 1.00 0.00 C ATOM 299 CD1 PHE A 18 29.701 1.643 1.720 1.00 0.00 C ATOM 300 CD2 PHE A 18 31.764 2.912 1.625 1.00 0.00 C ATOM 301 CE1 PHE A 18 29.486 2.089 3.029 1.00 0.00 C ATOM 302 CE2 PHE A 18 31.550 3.357 2.935 1.00 0.00 C ATOM 303 CZ PHE A 18 30.411 2.946 3.637 1.00 0.00 C ATOM 0 H PHE A 18 33.367 1.511 0.277 1.00 0.00 H new ATOM 0 HA PHE A 18 31.284 -0.477 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.674 2.293 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.123 1.477 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.988 0.981 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.642 3.230 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.607 1.772 3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 18 32.264 4.018 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.246 3.290 4.647 1.00 0.00 H new ATOM 313 N ARG A 19 32.326 0.237 -2.718 1.00 0.00 N ATOM 314 CA ARG A 19 32.375 -0.360 -4.084 1.00 0.00 C ATOM 315 C ARG A 19 32.806 -1.827 -3.995 1.00 0.00 C ATOM 316 O ARG A 19 32.149 -2.711 -4.513 1.00 0.00 O ATOM 317 CB ARG A 19 33.418 0.464 -4.838 1.00 0.00 C ATOM 318 CG ARG A 19 33.329 0.156 -6.334 1.00 0.00 C ATOM 319 CD ARG A 19 32.394 1.165 -7.007 1.00 0.00 C ATOM 320 NE ARG A 19 32.308 0.723 -8.426 1.00 0.00 N ATOM 321 CZ ARG A 19 31.517 1.347 -9.256 1.00 0.00 C ATOM 322 NH1 ARG A 19 31.945 2.399 -9.900 1.00 0.00 N ATOM 323 NH2 ARG A 19 30.298 0.919 -9.442 1.00 0.00 N ATOM 0 H ARG A 19 32.723 1.173 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 19 31.407 -0.341 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 19 33.252 1.527 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 19 34.417 0.233 -4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.320 0.204 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.958 -0.858 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.412 1.169 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.788 2.179 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 19 32.867 -0.067 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 19 32.898 2.733 -9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 19 31.327 2.886 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 19 29.964 0.097 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 29.680 1.406 -10.090 1.00 0.00 H new ATOM 337 N GLU A 20 33.900 -2.095 -3.334 1.00 0.00 N ATOM 338 CA GLU A 20 34.362 -3.505 -3.203 1.00 0.00 C ATOM 339 C GLU A 20 33.170 -4.401 -2.862 1.00 0.00 C ATOM 340 O GLU A 20 32.877 -5.356 -3.558 1.00 0.00 O ATOM 341 CB GLU A 20 35.373 -3.489 -2.056 1.00 0.00 C ATOM 342 CG GLU A 20 36.679 -4.140 -2.517 1.00 0.00 C ATOM 343 CD GLU A 20 36.540 -5.662 -2.454 1.00 0.00 C ATOM 344 OE1 GLU A 20 35.415 -6.133 -2.419 1.00 0.00 O ATOM 345 OE2 GLU A 20 37.561 -6.330 -2.442 1.00 0.00 O ATOM 0 H GLU A 20 34.492 -1.399 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 20 34.806 -3.890 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 20 35.559 -2.464 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 20 34.971 -4.024 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 20 36.914 -3.827 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 20 37.504 -3.813 -1.884 1.00 0.00 H new ATOM 352 N ARG A 21 32.469 -4.093 -1.804 1.00 0.00 N ATOM 353 CA ARG A 21 31.288 -4.925 -1.440 1.00 0.00 C ATOM 354 C ARG A 21 30.352 -5.030 -2.644 1.00 0.00 C ATOM 355 O ARG A 21 29.832 -6.084 -2.950 1.00 0.00 O ATOM 356 CB ARG A 21 30.606 -4.182 -0.292 1.00 0.00 C ATOM 357 CG ARG A 21 31.377 -4.433 1.001 1.00 0.00 C ATOM 358 CD ARG A 21 30.606 -5.432 1.867 1.00 0.00 C ATOM 359 NE ARG A 21 31.653 -6.287 2.490 1.00 0.00 N ATOM 360 CZ ARG A 21 32.259 -7.199 1.780 1.00 0.00 C ATOM 361 NH1 ARG A 21 31.714 -8.375 1.625 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.409 -6.934 1.222 1.00 0.00 N ATOM 0 H ARG A 21 32.661 -3.308 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 21 31.564 -5.938 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.570 -3.114 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.575 -4.521 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.370 -4.821 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 21 31.516 -3.497 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 21 30.011 -4.922 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.917 -6.026 1.267 1.00 0.00 H new ATOM 0 HE ARG A 21 31.897 -6.160 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 21 30.814 -8.581 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.188 -9.088 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.834 -6.014 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.883 -7.647 0.667 1.00 0.00 H new ATOM 376 N ASN A 22 30.144 -3.942 -3.337 1.00 0.00 N ATOM 377 CA ASN A 22 29.253 -3.980 -4.530 1.00 0.00 C ATOM 378 C ASN A 22 29.568 -5.225 -5.357 1.00 0.00 C ATOM 379 O ASN A 22 28.704 -6.027 -5.648 1.00 0.00 O ATOM 380 CB ASN A 22 29.587 -2.712 -5.316 1.00 0.00 C ATOM 381 CG ASN A 22 28.328 -2.194 -6.012 1.00 0.00 C ATOM 382 OD1 ASN A 22 28.329 -1.968 -7.206 1.00 0.00 O ATOM 383 ND2 ASN A 22 27.245 -1.996 -5.312 1.00 0.00 N ATOM 0 H ASN A 22 30.552 -3.031 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 22 28.196 -4.021 -4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 22 29.984 -1.950 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 22 30.362 -2.922 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 22 26.400 -1.652 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.244 -2.186 -4.310 1.00 0.00 H new ATOM 390 N GLU A 23 30.808 -5.398 -5.725 1.00 0.00 N ATOM 391 CA GLU A 23 31.185 -6.601 -6.519 1.00 0.00 C ATOM 392 C GLU A 23 30.741 -7.862 -5.772 1.00 0.00 C ATOM 393 O GLU A 23 30.092 -8.734 -6.323 1.00 0.00 O ATOM 394 CB GLU A 23 32.710 -6.543 -6.621 1.00 0.00 C ATOM 395 CG GLU A 23 33.241 -7.891 -7.114 1.00 0.00 C ATOM 396 CD GLU A 23 33.995 -8.589 -5.981 1.00 0.00 C ATOM 397 OE1 GLU A 23 33.364 -8.916 -4.989 1.00 0.00 O ATOM 398 OE2 GLU A 23 35.191 -8.785 -6.123 1.00 0.00 O ATOM 0 H GLU A 23 31.574 -4.760 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 23 30.717 -6.624 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 23 33.009 -5.750 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 23 33.141 -6.304 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 23 32.416 -8.516 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 23 33.902 -7.743 -7.968 1.00 0.00 H new ATOM 405 N ALA A 24 31.076 -7.957 -4.514 1.00 0.00 N ATOM 406 CA ALA A 24 30.665 -9.151 -3.724 1.00 0.00 C ATOM 407 C ALA A 24 29.138 -9.229 -3.667 1.00 0.00 C ATOM 408 O ALA A 24 28.554 -10.284 -3.813 1.00 0.00 O ATOM 409 CB ALA A 24 31.247 -8.924 -2.329 1.00 0.00 C ATOM 0 H ALA A 24 31.616 -7.260 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 24 31.020 -10.085 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 24 30.987 -9.764 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 24 32.332 -8.841 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 24 30.838 -8.005 -1.909 1.00 0.00 H new ATOM 415 N LEU A 25 28.487 -8.115 -3.464 1.00 0.00 N ATOM 416 CA LEU A 25 26.998 -8.124 -3.408 1.00 0.00 C ATOM 417 C LEU A 25 26.442 -8.830 -4.645 1.00 0.00 C ATOM 418 O LEU A 25 25.525 -9.623 -4.562 1.00 0.00 O ATOM 419 CB LEU A 25 26.590 -6.651 -3.400 1.00 0.00 C ATOM 420 CG LEU A 25 25.073 -6.540 -3.557 1.00 0.00 C ATOM 421 CD1 LEU A 25 24.581 -5.260 -2.880 1.00 0.00 C ATOM 422 CD2 LEU A 25 24.717 -6.497 -5.045 1.00 0.00 C ATOM 0 H LEU A 25 28.922 -7.201 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 25 26.615 -8.651 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 25 26.905 -6.181 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 27.090 -6.120 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 25 24.596 -7.403 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.500 -5.182 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 25 24.835 -5.288 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 25 25.058 -4.397 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.636 -6.418 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 25 25.195 -5.634 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.067 -7.409 -5.529 1.00 0.00 H new ATOM 434 N GLU A 26 26.999 -8.555 -5.793 1.00 0.00 N ATOM 435 CA GLU A 26 26.511 -9.218 -7.034 1.00 0.00 C ATOM 436 C GLU A 26 26.675 -10.733 -6.904 1.00 0.00 C ATOM 437 O GLU A 26 25.737 -11.488 -7.074 1.00 0.00 O ATOM 438 CB GLU A 26 27.400 -8.673 -8.153 1.00 0.00 C ATOM 439 CG GLU A 26 27.128 -9.448 -9.444 1.00 0.00 C ATOM 440 CD GLU A 26 25.774 -9.026 -10.017 1.00 0.00 C ATOM 441 OE1 GLU A 26 25.325 -7.941 -9.687 1.00 0.00 O ATOM 442 OE2 GLU A 26 25.209 -9.795 -10.777 1.00 0.00 O ATOM 0 H GLU A 26 27.770 -7.900 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 26 25.456 -9.022 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 27.202 -7.612 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 26 28.450 -8.765 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.918 -9.255 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 27.133 -10.520 -9.245 1.00 0.00 H new ATOM 449 N LEU A 27 27.861 -11.184 -6.594 1.00 0.00 N ATOM 450 CA LEU A 27 28.077 -12.651 -6.444 1.00 0.00 C ATOM 451 C LEU A 27 27.267 -13.177 -5.256 1.00 0.00 C ATOM 452 O LEU A 27 26.878 -14.327 -5.216 1.00 0.00 O ATOM 453 CB LEU A 27 29.575 -12.811 -6.185 1.00 0.00 C ATOM 454 CG LEU A 27 30.136 -13.908 -7.090 1.00 0.00 C ATOM 455 CD1 LEU A 27 31.399 -13.399 -7.787 1.00 0.00 C ATOM 456 CD2 LEU A 27 30.481 -15.138 -6.247 1.00 0.00 C ATOM 0 H LEU A 27 28.685 -10.603 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 27 27.758 -13.210 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.090 -11.869 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 27 29.749 -13.064 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 27 29.391 -14.177 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 31.799 -14.181 -8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 27 31.155 -12.523 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 32.144 -13.130 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 27 30.881 -15.920 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 31.226 -14.869 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 29.582 -15.502 -5.750 1.00 0.00 H new ATOM 468 N LYS A 28 27.009 -12.339 -4.288 1.00 0.00 N ATOM 469 CA LYS A 28 26.223 -12.784 -3.101 1.00 0.00 C ATOM 470 C LYS A 28 24.785 -13.113 -3.513 1.00 0.00 C ATOM 471 O LYS A 28 24.156 -13.991 -2.956 1.00 0.00 O ATOM 472 CB LYS A 28 26.248 -11.592 -2.144 1.00 0.00 C ATOM 473 CG LYS A 28 25.274 -11.840 -0.990 1.00 0.00 C ATOM 474 CD LYS A 28 25.514 -13.233 -0.406 1.00 0.00 C ATOM 475 CE LYS A 28 24.757 -13.370 0.917 1.00 0.00 C ATOM 476 NZ LYS A 28 23.854 -14.538 0.724 1.00 0.00 N ATOM 0 H LYS A 28 27.309 -11.364 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 28 26.635 -13.683 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.256 -11.445 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.974 -10.680 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.409 -11.083 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.246 -11.755 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.180 -13.996 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.580 -13.393 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.442 -13.534 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.191 -12.466 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.300 -14.696 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.209 -14.351 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.421 -15.385 0.517 1.00 0.00 H new ATOM 490 N ASP A 29 24.261 -12.415 -4.484 1.00 0.00 N ATOM 491 CA ASP A 29 22.865 -12.690 -4.930 1.00 0.00 C ATOM 492 C ASP A 29 22.844 -13.883 -5.888 1.00 0.00 C ATOM 493 O ASP A 29 21.874 -14.612 -5.965 1.00 0.00 O ATOM 494 CB ASP A 29 22.420 -11.417 -5.649 1.00 0.00 C ATOM 495 CG ASP A 29 21.642 -10.526 -4.678 1.00 0.00 C ATOM 496 OD1 ASP A 29 20.878 -11.065 -3.894 1.00 0.00 O ATOM 497 OD2 ASP A 29 21.825 -9.321 -4.734 1.00 0.00 O ATOM 0 H ASP A 29 24.738 -11.667 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 29 22.206 -12.938 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.288 -10.882 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.796 -11.670 -6.506 1.00 0.00 H new ATOM 502 N ALA A 30 23.905 -14.088 -6.619 1.00 0.00 N ATOM 503 CA ALA A 30 23.943 -15.235 -7.571 1.00 0.00 C ATOM 504 C ALA A 30 24.224 -16.540 -6.819 1.00 0.00 C ATOM 505 O ALA A 30 24.310 -17.599 -7.406 1.00 0.00 O ATOM 506 CB ALA A 30 25.086 -14.914 -8.533 1.00 0.00 C ATOM 0 H ALA A 30 24.747 -13.512 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 30 22.996 -15.368 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 30 25.179 -15.714 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 30 24.878 -13.974 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 30 26.018 -14.825 -7.974 1.00 0.00 H new ATOM 512 N GLN A 31 24.368 -16.471 -5.523 1.00 0.00 N ATOM 513 CA GLN A 31 24.644 -17.709 -4.738 1.00 0.00 C ATOM 514 C GLN A 31 23.845 -17.699 -3.432 1.00 0.00 C ATOM 515 O GLN A 31 23.327 -16.681 -3.017 1.00 0.00 O ATOM 516 CB GLN A 31 26.145 -17.671 -4.449 1.00 0.00 C ATOM 517 CG GLN A 31 26.448 -16.540 -3.463 1.00 0.00 C ATOM 518 CD GLN A 31 26.924 -17.133 -2.135 1.00 0.00 C ATOM 519 OE1 GLN A 31 26.283 -18.003 -1.580 1.00 0.00 O ATOM 520 NE2 GLN A 31 28.030 -16.695 -1.598 1.00 0.00 N ATOM 0 H GLN A 31 24.307 -15.613 -4.975 1.00 0.00 H new ATOM 0 HA GLN A 31 24.356 -18.611 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 31 26.470 -18.625 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 31 26.700 -17.519 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 27.213 -15.881 -3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 31 25.556 -15.934 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 31 28.569 -15.965 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 31 28.356 -17.083 -0.713 1.00 0.00 H new ATOM 606 N TYR B 4 31.829 13.497 -4.567 1.00 0.00 N ATOM 607 CA TYR B 4 30.795 12.670 -3.880 1.00 0.00 C ATOM 608 C TYR B 4 30.656 11.309 -4.568 1.00 0.00 C ATOM 609 O TYR B 4 30.705 11.205 -5.778 1.00 0.00 O ATOM 610 CB TYR B 4 29.498 13.469 -4.011 1.00 0.00 C ATOM 611 CG TYR B 4 28.880 13.656 -2.646 1.00 0.00 C ATOM 612 CD1 TYR B 4 29.372 14.643 -1.783 1.00 0.00 C ATOM 613 CD2 TYR B 4 27.813 12.843 -2.243 1.00 0.00 C ATOM 614 CE1 TYR B 4 28.797 14.818 -0.519 1.00 0.00 C ATOM 615 CE2 TYR B 4 27.239 13.017 -0.979 1.00 0.00 C ATOM 616 CZ TYR B 4 27.730 14.004 -0.116 1.00 0.00 C ATOM 617 OH TYR B 4 27.164 14.176 1.130 1.00 0.00 O ATOM 0 HA TYR B 4 31.052 12.473 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR B 4 29.700 14.439 -4.466 1.00 0.00 H new ATOM 0 HB3 TYR B 4 28.802 12.948 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR B 4 30.195 15.269 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR B 4 27.433 12.082 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR B 4 29.176 15.580 0.146 1.00 0.00 H new ATOM 0 HE2 TYR B 4 26.417 12.389 -0.669 1.00 0.00 H new ATOM 0 HH TYR B 4 26.436 13.532 1.250 1.00 0.00 H new ATOM 627 N PHE B 5 30.479 10.265 -3.805 1.00 0.00 N ATOM 628 CA PHE B 5 30.332 8.911 -4.411 1.00 0.00 C ATOM 629 C PHE B 5 29.073 8.228 -3.867 1.00 0.00 C ATOM 630 O PHE B 5 28.927 8.033 -2.677 1.00 0.00 O ATOM 631 CB PHE B 5 31.585 8.146 -3.983 1.00 0.00 C ATOM 632 CG PHE B 5 32.814 8.921 -4.394 1.00 0.00 C ATOM 633 CD1 PHE B 5 33.236 10.020 -3.635 1.00 0.00 C ATOM 634 CD2 PHE B 5 33.532 8.541 -5.534 1.00 0.00 C ATOM 635 CE1 PHE B 5 34.376 10.738 -4.017 1.00 0.00 C ATOM 636 CE2 PHE B 5 34.672 9.259 -5.916 1.00 0.00 C ATOM 637 CZ PHE B 5 35.094 10.357 -5.157 1.00 0.00 C ATOM 0 H PHE B 5 30.430 10.291 -2.787 1.00 0.00 H new ATOM 0 HA PHE B 5 30.232 8.950 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE B 5 31.581 7.996 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE B 5 31.595 7.158 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE B 5 32.682 10.314 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE B 5 33.207 7.694 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE B 5 34.701 11.586 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE B 5 35.225 8.966 -6.796 1.00 0.00 H new ATOM 0 HZ PHE B 5 35.974 10.910 -5.451 1.00 0.00 H new ATOM 647 N THR B 6 28.162 7.866 -4.729 1.00 0.00 N ATOM 648 CA THR B 6 26.914 7.200 -4.257 1.00 0.00 C ATOM 649 C THR B 6 26.811 5.787 -4.839 1.00 0.00 C ATOM 650 O THR B 6 27.199 5.539 -5.964 1.00 0.00 O ATOM 651 CB THR B 6 25.777 8.080 -4.778 1.00 0.00 C ATOM 652 OG1 THR B 6 25.767 9.309 -4.065 1.00 0.00 O ATOM 653 CG2 THR B 6 24.441 7.362 -4.581 1.00 0.00 C ATOM 0 H THR B 6 28.227 8.002 -5.738 1.00 0.00 H new ATOM 0 HA THR B 6 26.887 7.096 -3.172 1.00 0.00 H new ATOM 0 HB THR B 6 25.927 8.277 -5.840 1.00 0.00 H new ATOM 0 HG1 THR B 6 24.841 9.602 -3.931 1.00 0.00 H new ATOM 0 HG21 THR B 6 23.632 7.991 -4.953 1.00 0.00 H new ATOM 0 HG22 THR B 6 24.450 6.420 -5.129 1.00 0.00 H new ATOM 0 HG23 THR B 6 24.288 7.163 -3.520 1.00 0.00 H new ATOM 661 N LEU B 7 26.292 4.860 -4.081 1.00 0.00 N ATOM 662 CA LEU B 7 26.164 3.464 -4.590 1.00 0.00 C ATOM 663 C LEU B 7 24.703 3.007 -4.521 1.00 0.00 C ATOM 664 O LEU B 7 23.918 3.520 -3.749 1.00 0.00 O ATOM 665 CB LEU B 7 27.032 2.621 -3.653 1.00 0.00 C ATOM 666 CG LEU B 7 28.388 2.358 -4.310 1.00 0.00 C ATOM 667 CD1 LEU B 7 29.343 1.748 -3.281 1.00 0.00 C ATOM 668 CD2 LEU B 7 28.208 1.385 -5.478 1.00 0.00 C ATOM 0 H LEU B 7 25.951 5.008 -3.131 1.00 0.00 H new ATOM 0 HA LEU B 7 26.477 3.373 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU B 7 27.170 3.139 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU B 7 26.535 1.677 -3.431 1.00 0.00 H new ATOM 0 HG LEU B 7 28.802 3.297 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU B 7 30.310 1.560 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU B 7 29.471 2.440 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU B 7 28.930 0.809 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU B 7 29.174 1.197 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.795 0.446 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU B 7 27.527 1.818 -6.211 1.00 0.00 H new ATOM 680 N GLN B 8 24.335 2.043 -5.321 1.00 0.00 N ATOM 681 CA GLN B 8 22.927 1.552 -5.301 1.00 0.00 C ATOM 682 C GLN B 8 22.897 0.051 -4.996 1.00 0.00 C ATOM 683 O GLN B 8 23.728 -0.703 -5.461 1.00 0.00 O ATOM 684 CB GLN B 8 22.389 1.827 -6.706 1.00 0.00 C ATOM 685 CG GLN B 8 22.159 3.330 -6.880 1.00 0.00 C ATOM 686 CD GLN B 8 20.767 3.570 -7.466 1.00 0.00 C ATOM 687 OE1 GLN B 8 19.840 3.890 -6.749 1.00 0.00 O ATOM 688 NE2 GLN B 8 20.578 3.428 -8.750 1.00 0.00 N ATOM 0 H GLN B 8 24.948 1.574 -5.988 1.00 0.00 H new ATOM 0 HA GLN B 8 22.328 2.044 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN B 8 23.096 1.468 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN B 8 21.456 1.285 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN B 8 22.253 3.836 -5.919 1.00 0.00 H new ATOM 0 HG3 GLN B 8 22.919 3.751 -7.538 1.00 0.00 H new ATOM 0 HE21 GLN B 8 21.355 3.159 -9.353 1.00 0.00 H new ATOM 0 HE22 GLN B 8 19.653 3.586 -9.150 1.00 0.00 H new ATOM 697 N ILE B 9 21.947 -0.387 -4.216 1.00 0.00 N ATOM 698 CA ILE B 9 21.866 -1.837 -3.879 1.00 0.00 C ATOM 699 C ILE B 9 20.424 -2.333 -4.009 1.00 0.00 C ATOM 700 O ILE B 9 19.482 -1.595 -3.798 1.00 0.00 O ATOM 701 CB ILE B 9 22.333 -1.932 -2.427 1.00 0.00 C ATOM 702 CG1 ILE B 9 23.800 -1.509 -2.334 1.00 0.00 C ATOM 703 CG2 ILE B 9 22.187 -3.374 -1.937 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.940 -0.371 -1.321 1.00 0.00 C ATOM 0 H ILE B 9 21.223 0.197 -3.797 1.00 0.00 H new ATOM 0 HA ILE B 9 22.474 -2.449 -4.546 1.00 0.00 H new ATOM 0 HB ILE B 9 21.725 -1.274 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE B 9 24.415 -2.357 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE B 9 24.159 -1.186 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE B 9 22.520 -3.442 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE B 9 21.142 -3.677 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE B 9 22.795 -4.032 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.985 -0.070 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.337 0.478 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.597 -0.710 -0.343 1.00 0.00 H new ATOM 716 N ARG B 10 20.244 -3.580 -4.350 1.00 0.00 N ATOM 717 CA ARG B 10 18.863 -4.123 -4.488 1.00 0.00 C ATOM 718 C ARG B 10 18.686 -5.342 -3.578 1.00 0.00 C ATOM 719 O ARG B 10 17.858 -6.197 -3.822 1.00 0.00 O ATOM 720 CB ARG B 10 18.739 -4.525 -5.959 1.00 0.00 C ATOM 721 CG ARG B 10 19.812 -5.561 -6.300 1.00 0.00 C ATOM 722 CD ARG B 10 19.215 -6.632 -7.216 1.00 0.00 C ATOM 723 NE ARG B 10 20.053 -6.594 -8.447 1.00 0.00 N ATOM 724 CZ ARG B 10 20.850 -7.589 -8.725 1.00 0.00 C ATOM 725 NH1 ARG B 10 20.354 -8.752 -9.047 1.00 0.00 N ATOM 726 NH2 ARG B 10 22.143 -7.420 -8.680 1.00 0.00 N ATOM 0 H ARG B 10 20.993 -4.246 -4.539 1.00 0.00 H new ATOM 0 HA ARG B 10 18.101 -3.398 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG B 10 17.748 -4.936 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG B 10 18.850 -3.648 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG B 10 20.657 -5.077 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG B 10 20.193 -6.019 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG B 10 19.246 -7.615 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG B 10 18.170 -6.420 -7.443 1.00 0.00 H new ATOM 0 HE ARG B 10 20.004 -5.790 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG B 10 19.343 -8.883 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG B 10 20.977 -9.530 -9.264 1.00 0.00 H new ATOM 0 HH21 ARG B 10 22.530 -6.511 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG B 10 22.767 -8.197 -8.897 1.00 0.00 H new ATOM 740 N GLY B 11 19.459 -5.426 -2.529 1.00 0.00 N ATOM 741 CA GLY B 11 19.338 -6.586 -1.602 1.00 0.00 C ATOM 742 C GLY B 11 19.474 -6.102 -0.157 1.00 0.00 C ATOM 743 O GLY B 11 20.444 -5.467 0.206 1.00 0.00 O ATOM 0 H GLY B 11 20.170 -4.740 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY B 11 18.376 -7.078 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY B 11 20.109 -7.324 -1.824 1.00 0.00 H new ATOM 747 N ARG B 12 18.509 -6.396 0.671 1.00 0.00 N ATOM 748 CA ARG B 12 18.585 -5.951 2.093 1.00 0.00 C ATOM 749 C ARG B 12 19.695 -6.707 2.827 1.00 0.00 C ATOM 750 O ARG B 12 20.517 -6.120 3.502 1.00 0.00 O ATOM 751 CB ARG B 12 17.218 -6.292 2.689 1.00 0.00 C ATOM 752 CG ARG B 12 16.830 -5.226 3.716 1.00 0.00 C ATOM 753 CD ARG B 12 15.307 -5.178 3.851 1.00 0.00 C ATOM 754 NE ARG B 12 15.039 -4.045 4.780 1.00 0.00 N ATOM 755 CZ ARG B 12 15.590 -4.026 5.962 1.00 0.00 C ATOM 756 NH1 ARG B 12 15.098 -4.758 6.924 1.00 0.00 N ATOM 757 NH2 ARG B 12 16.634 -3.273 6.184 1.00 0.00 N ATOM 0 H ARG B 12 17.672 -6.924 0.425 1.00 0.00 H new ATOM 0 HA ARG B 12 18.814 -4.889 2.181 1.00 0.00 H new ATOM 0 HB2 ARG B 12 16.468 -6.343 1.900 1.00 0.00 H new ATOM 0 HB3 ARG B 12 17.250 -7.274 3.162 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.284 -5.453 4.681 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.209 -4.252 3.406 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.830 -5.017 2.884 1.00 0.00 H new ATOM 0 HD3 ARG B 12 14.916 -6.115 4.248 1.00 0.00 H new ATOM 0 HE ARG B 12 14.424 -3.284 4.492 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.282 -5.345 6.752 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.529 -4.743 7.848 1.00 0.00 H new ATOM 0 HH21 ARG B 12 17.018 -2.700 5.433 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.065 -3.258 7.108 1.00 0.00 H new ATOM 771 N GLU B 13 19.727 -8.006 2.701 1.00 0.00 N ATOM 772 CA GLU B 13 20.786 -8.795 3.393 1.00 0.00 C ATOM 773 C GLU B 13 22.165 -8.204 3.088 1.00 0.00 C ATOM 774 O GLU B 13 23.030 -8.150 3.939 1.00 0.00 O ATOM 775 CB GLU B 13 20.669 -10.207 2.818 1.00 0.00 C ATOM 776 CG GLU B 13 20.940 -11.232 3.922 1.00 0.00 C ATOM 777 CD GLU B 13 19.798 -12.249 3.966 1.00 0.00 C ATOM 778 OE1 GLU B 13 19.470 -12.787 2.922 1.00 0.00 O ATOM 779 OE2 GLU B 13 19.272 -12.472 5.044 1.00 0.00 O ATOM 0 H GLU B 13 19.067 -8.554 2.150 1.00 0.00 H new ATOM 0 HA GLU B 13 20.667 -8.786 4.476 1.00 0.00 H new ATOM 0 HB2 GLU B 13 19.673 -10.360 2.401 1.00 0.00 H new ATOM 0 HB3 GLU B 13 21.380 -10.339 2.002 1.00 0.00 H new ATOM 0 HG2 GLU B 13 21.886 -11.740 3.737 1.00 0.00 H new ATOM 0 HG3 GLU B 13 21.031 -10.730 4.885 1.00 0.00 H new ATOM 786 N ARG B 14 22.373 -7.758 1.880 1.00 0.00 N ATOM 787 CA ARG B 14 23.693 -7.166 1.522 1.00 0.00 C ATOM 788 C ARG B 14 23.761 -5.714 1.997 1.00 0.00 C ATOM 789 O ARG B 14 24.779 -5.255 2.476 1.00 0.00 O ATOM 790 CB ARG B 14 23.763 -7.239 -0.003 1.00 0.00 C ATOM 791 CG ARG B 14 23.557 -8.687 -0.452 1.00 0.00 C ATOM 792 CD ARG B 14 22.193 -8.821 -1.132 1.00 0.00 C ATOM 793 NE ARG B 14 21.797 -10.241 -0.922 1.00 0.00 N ATOM 794 CZ ARG B 14 20.546 -10.544 -0.707 1.00 0.00 C ATOM 795 NH1 ARG B 14 19.605 -9.943 -1.382 1.00 0.00 N ATOM 796 NH2 ARG B 14 20.237 -11.447 0.183 1.00 0.00 N ATOM 0 H ARG B 14 21.687 -7.778 1.126 1.00 0.00 H new ATOM 0 HA ARG B 14 24.525 -7.693 1.989 1.00 0.00 H new ATOM 0 HB2 ARG B 14 23.000 -6.598 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG B 14 24.728 -6.872 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG B 14 24.349 -8.982 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG B 14 23.615 -9.357 0.406 1.00 0.00 H new ATOM 0 HD2 ARG B 14 21.465 -8.139 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG B 14 22.256 -8.581 -2.193 1.00 0.00 H new ATOM 0 HE ARG B 14 22.503 -10.977 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG B 14 19.847 -9.237 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG B 14 18.627 -10.179 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG B 14 20.973 -11.916 0.711 1.00 0.00 H new ATOM 0 HH22 ARG B 14 19.259 -11.684 0.351 1.00 0.00 H new ATOM 810 N PHE B 15 22.684 -4.986 1.874 1.00 0.00 N ATOM 811 CA PHE B 15 22.696 -3.568 2.328 1.00 0.00 C ATOM 812 C PHE B 15 23.222 -3.492 3.761 1.00 0.00 C ATOM 813 O PHE B 15 24.092 -2.704 4.073 1.00 0.00 O ATOM 814 CB PHE B 15 21.239 -3.111 2.265 1.00 0.00 C ATOM 815 CG PHE B 15 21.167 -1.633 2.568 1.00 0.00 C ATOM 816 CD1 PHE B 15 21.695 -0.707 1.661 1.00 0.00 C ATOM 817 CD2 PHE B 15 20.575 -1.190 3.757 1.00 0.00 C ATOM 818 CE1 PHE B 15 21.631 0.663 1.942 1.00 0.00 C ATOM 819 CE2 PHE B 15 20.512 0.180 4.038 1.00 0.00 C ATOM 820 CZ PHE B 15 21.040 1.107 3.131 1.00 0.00 C ATOM 0 H PHE B 15 21.801 -5.311 1.481 1.00 0.00 H new ATOM 0 HA PHE B 15 23.339 -2.939 1.712 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.825 -3.312 1.277 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.639 -3.671 2.982 1.00 0.00 H new ATOM 0 HD1 PHE B 15 22.152 -1.049 0.744 1.00 0.00 H new ATOM 0 HD2 PHE B 15 20.167 -1.905 4.457 1.00 0.00 H new ATOM 0 HE1 PHE B 15 22.038 1.377 1.242 1.00 0.00 H new ATOM 0 HE2 PHE B 15 20.056 0.522 4.955 1.00 0.00 H new ATOM 0 HZ PHE B 15 20.991 2.164 3.348 1.00 0.00 H new ATOM 830 N GLU B 16 22.706 -4.316 4.634 1.00 0.00 N ATOM 831 CA GLU B 16 23.186 -4.298 6.044 1.00 0.00 C ATOM 832 C GLU B 16 24.713 -4.209 6.063 1.00 0.00 C ATOM 833 O GLU B 16 25.301 -3.583 6.923 1.00 0.00 O ATOM 834 CB GLU B 16 22.718 -5.627 6.641 1.00 0.00 C ATOM 835 CG GLU B 16 21.194 -5.619 6.779 1.00 0.00 C ATOM 836 CD GLU B 16 20.805 -6.088 8.182 1.00 0.00 C ATOM 837 OE1 GLU B 16 21.581 -5.865 9.096 1.00 0.00 O ATOM 838 OE2 GLU B 16 19.737 -6.663 8.318 1.00 0.00 O ATOM 0 H GLU B 16 21.975 -4.998 4.431 1.00 0.00 H new ATOM 0 HA GLU B 16 22.803 -3.447 6.607 1.00 0.00 H new ATOM 0 HB2 GLU B 16 23.031 -6.454 6.004 1.00 0.00 H new ATOM 0 HB3 GLU B 16 23.181 -5.783 7.616 1.00 0.00 H new ATOM 0 HG2 GLU B 16 20.807 -4.616 6.599 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.747 -6.272 6.029 1.00 0.00 H new ATOM 845 N GLN B 17 25.358 -4.828 5.111 1.00 0.00 N ATOM 846 CA GLN B 17 26.846 -4.780 5.062 1.00 0.00 C ATOM 847 C GLN B 17 27.310 -3.373 4.675 1.00 0.00 C ATOM 848 O GLN B 17 28.140 -2.780 5.335 1.00 0.00 O ATOM 849 CB GLN B 17 27.240 -5.791 3.984 1.00 0.00 C ATOM 850 CG GLN B 17 26.521 -7.117 4.240 1.00 0.00 C ATOM 851 CD GLN B 17 27.386 -8.274 3.736 1.00 0.00 C ATOM 852 OE1 GLN B 17 28.010 -8.174 2.698 1.00 0.00 O ATOM 853 NE2 GLN B 17 27.449 -9.376 4.431 1.00 0.00 N ATOM 0 H GLN B 17 24.917 -5.365 4.365 1.00 0.00 H new ATOM 0 HA GLN B 17 27.302 -5.015 6.024 1.00 0.00 H new ATOM 0 HB2 GLN B 17 26.978 -5.408 2.998 1.00 0.00 H new ATOM 0 HB3 GLN B 17 28.319 -5.943 3.990 1.00 0.00 H new ATOM 0 HG2 GLN B 17 26.322 -7.235 5.305 1.00 0.00 H new ATOM 0 HG3 GLN B 17 25.556 -7.123 3.733 1.00 0.00 H new ATOM 0 HE21 GLN B 17 26.925 -9.460 5.302 1.00 0.00 H new ATOM 0 HE22 GLN B 17 28.022 -10.154 4.103 1.00 0.00 H new ATOM 862 N PHE B 18 26.778 -2.832 3.612 1.00 0.00 N ATOM 863 CA PHE B 18 27.189 -1.462 3.191 1.00 0.00 C ATOM 864 C PHE B 18 26.868 -0.458 4.300 1.00 0.00 C ATOM 865 O PHE B 18 27.738 0.227 4.800 1.00 0.00 O ATOM 866 CB PHE B 18 26.368 -1.163 1.937 1.00 0.00 C ATOM 867 CG PHE B 18 26.892 -1.990 0.788 1.00 0.00 C ATOM 868 CD1 PHE B 18 27.958 -1.515 0.017 1.00 0.00 C ATOM 869 CD2 PHE B 18 26.316 -3.233 0.499 1.00 0.00 C ATOM 870 CE1 PHE B 18 28.449 -2.282 -1.046 1.00 0.00 C ATOM 871 CE2 PHE B 18 26.808 -4.001 -0.563 1.00 0.00 C ATOM 872 CZ PHE B 18 27.874 -3.525 -1.335 1.00 0.00 C ATOM 0 H PHE B 18 26.079 -3.278 3.019 1.00 0.00 H new ATOM 0 HA PHE B 18 28.259 -1.392 2.996 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.317 -1.390 2.114 1.00 0.00 H new ATOM 0 HB3 PHE B 18 26.428 -0.102 1.694 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.402 -0.557 0.242 1.00 0.00 H new ATOM 0 HD2 PHE B 18 25.493 -3.599 1.095 1.00 0.00 H new ATOM 0 HE1 PHE B 18 29.271 -1.915 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE B 18 26.365 -4.960 -0.787 1.00 0.00 H new ATOM 0 HZ PHE B 18 28.253 -4.117 -2.155 1.00 0.00 H new ATOM 882 N ARG B 19 25.626 -0.367 4.695 1.00 0.00 N ATOM 883 CA ARG B 19 25.264 0.590 5.778 1.00 0.00 C ATOM 884 C ARG B 19 26.289 0.499 6.909 1.00 0.00 C ATOM 885 O ARG B 19 26.846 1.491 7.336 1.00 0.00 O ATOM 886 CB ARG B 19 23.885 0.145 6.265 1.00 0.00 C ATOM 887 CG ARG B 19 23.281 1.237 7.151 1.00 0.00 C ATOM 888 CD ARG B 19 22.416 2.169 6.299 1.00 0.00 C ATOM 889 NE ARG B 19 21.952 3.228 7.238 1.00 0.00 N ATOM 890 CZ ARG B 19 21.240 4.228 6.793 1.00 0.00 C ATOM 891 NH1 ARG B 19 19.942 4.121 6.713 1.00 0.00 N ATOM 892 NH2 ARG B 19 21.827 5.336 6.430 1.00 0.00 N ATOM 0 H ARG B 19 24.851 -0.911 4.316 1.00 0.00 H new ATOM 0 HA ARG B 19 25.252 1.624 5.433 1.00 0.00 H new ATOM 0 HB2 ARG B 19 23.232 -0.050 5.414 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.968 -0.787 6.824 1.00 0.00 H new ATOM 0 HG2 ARG B 19 22.680 0.787 7.941 1.00 0.00 H new ATOM 0 HG3 ARG B 19 24.074 1.804 7.638 1.00 0.00 H new ATOM 0 HD2 ARG B 19 22.988 2.595 5.475 1.00 0.00 H new ATOM 0 HD3 ARG B 19 21.574 1.634 5.860 1.00 0.00 H new ATOM 0 HE ARG B 19 22.190 3.172 8.228 1.00 0.00 H new ATOM 0 HH11 ARG B 19 19.483 3.256 6.998 1.00 0.00 H new ATOM 0 HH12 ARG B 19 19.386 4.902 6.365 1.00 0.00 H new ATOM 0 HH21 ARG B 19 22.841 5.420 6.494 1.00 0.00 H new ATOM 0 HH22 ARG B 19 21.271 6.117 6.082 1.00 0.00 H new ATOM 906 N GLU B 20 26.550 -0.686 7.392 1.00 0.00 N ATOM 907 CA GLU B 20 27.549 -0.834 8.487 1.00 0.00 C ATOM 908 C GLU B 20 28.783 0.012 8.170 1.00 0.00 C ATOM 909 O GLU B 20 29.186 0.855 8.946 1.00 0.00 O ATOM 910 CB GLU B 20 27.903 -2.322 8.506 1.00 0.00 C ATOM 911 CG GLU B 20 27.736 -2.868 9.925 1.00 0.00 C ATOM 912 CD GLU B 20 28.964 -2.502 10.761 1.00 0.00 C ATOM 913 OE1 GLU B 20 29.670 -1.586 10.372 1.00 0.00 O ATOM 914 OE2 GLU B 20 29.177 -3.144 11.776 1.00 0.00 O ATOM 0 H GLU B 20 26.116 -1.554 7.077 1.00 0.00 H new ATOM 0 HA GLU B 20 27.167 -0.502 9.452 1.00 0.00 H new ATOM 0 HB2 GLU B 20 27.260 -2.869 7.817 1.00 0.00 H new ATOM 0 HB3 GLU B 20 28.929 -2.467 8.168 1.00 0.00 H new ATOM 0 HG2 GLU B 20 26.836 -2.455 10.381 1.00 0.00 H new ATOM 0 HG3 GLU B 20 27.611 -3.950 9.897 1.00 0.00 H new ATOM 921 N ARG B 21 29.378 -0.198 7.026 1.00 0.00 N ATOM 922 CA ARG B 21 30.575 0.607 6.656 1.00 0.00 C ATOM 923 C ARG B 21 30.240 2.093 6.767 1.00 0.00 C ATOM 924 O ARG B 21 31.020 2.882 7.263 1.00 0.00 O ATOM 925 CB ARG B 21 30.879 0.231 5.206 1.00 0.00 C ATOM 926 CG ARG B 21 31.599 -1.118 5.168 1.00 0.00 C ATOM 927 CD ARG B 21 33.089 -0.895 4.903 1.00 0.00 C ATOM 928 NE ARG B 21 33.784 -1.907 5.745 1.00 0.00 N ATOM 929 CZ ARG B 21 33.878 -1.730 7.035 1.00 0.00 C ATOM 930 NH1 ARG B 21 34.844 -1.003 7.525 1.00 0.00 N ATOM 931 NH2 ARG B 21 33.005 -2.278 7.834 1.00 0.00 N ATOM 0 H ARG B 21 29.087 -0.890 6.335 1.00 0.00 H new ATOM 0 HA ARG B 21 31.429 0.414 7.306 1.00 0.00 H new ATOM 0 HB2 ARG B 21 29.954 0.178 4.632 1.00 0.00 H new ATOM 0 HB3 ARG B 21 31.498 0.999 4.742 1.00 0.00 H new ATOM 0 HG2 ARG B 21 31.462 -1.642 6.114 1.00 0.00 H new ATOM 0 HG3 ARG B 21 31.171 -1.749 4.389 1.00 0.00 H new ATOM 0 HD2 ARG B 21 33.327 -1.029 3.848 1.00 0.00 H new ATOM 0 HD3 ARG B 21 33.391 0.117 5.172 1.00 0.00 H new ATOM 0 HE ARG B 21 34.187 -2.739 5.314 1.00 0.00 H new ATOM 0 HH11 ARG B 21 35.526 -0.573 6.900 1.00 0.00 H new ATOM 0 HH12 ARG B 21 34.917 -0.865 8.533 1.00 0.00 H new ATOM 0 HH21 ARG B 21 32.249 -2.845 7.451 1.00 0.00 H new ATOM 0 HH22 ARG B 21 33.079 -2.140 8.842 1.00 0.00 H new ATOM 945 N ASN B 22 29.076 2.480 6.318 1.00 0.00 N ATOM 946 CA ASN B 22 28.685 3.914 6.408 1.00 0.00 C ATOM 947 C ASN B 22 29.053 4.453 7.790 1.00 0.00 C ATOM 948 O ASN B 22 29.752 5.439 7.919 1.00 0.00 O ATOM 949 CB ASN B 22 27.169 3.926 6.211 1.00 0.00 C ATOM 950 CG ASN B 22 26.757 5.203 5.478 1.00 0.00 C ATOM 951 OD1 ASN B 22 25.890 5.924 5.930 1.00 0.00 O ATOM 952 ND2 ASN B 22 27.347 5.517 4.357 1.00 0.00 N ATOM 0 H ASN B 22 28.381 1.865 5.894 1.00 0.00 H new ATOM 0 HA ASN B 22 29.190 4.537 5.669 1.00 0.00 H new ATOM 0 HB2 ASN B 22 26.859 3.051 5.640 1.00 0.00 H new ATOM 0 HB3 ASN B 22 26.666 3.871 7.177 1.00 0.00 H new ATOM 0 HD21 ASN B 22 27.080 6.367 3.861 1.00 0.00 H new ATOM 0 HD22 ASN B 22 28.075 4.912 3.977 1.00 0.00 H new ATOM 959 N GLU B 23 28.597 3.803 8.826 1.00 0.00 N ATOM 960 CA GLU B 23 28.932 4.267 10.201 1.00 0.00 C ATOM 961 C GLU B 23 30.451 4.359 10.353 1.00 0.00 C ATOM 962 O GLU B 23 30.981 5.351 10.813 1.00 0.00 O ATOM 963 CB GLU B 23 28.360 3.195 11.130 1.00 0.00 C ATOM 964 CG GLU B 23 28.939 3.374 12.535 1.00 0.00 C ATOM 965 CD GLU B 23 29.895 2.221 12.844 1.00 0.00 C ATOM 966 OE1 GLU B 23 30.904 2.115 12.166 1.00 0.00 O ATOM 967 OE2 GLU B 23 29.602 1.462 13.754 1.00 0.00 O ATOM 0 H GLU B 23 28.008 2.972 8.779 1.00 0.00 H new ATOM 0 HA GLU B 23 28.524 5.253 10.425 1.00 0.00 H new ATOM 0 HB2 GLU B 23 27.273 3.268 11.161 1.00 0.00 H new ATOM 0 HB3 GLU B 23 28.602 2.203 10.749 1.00 0.00 H new ATOM 0 HG2 GLU B 23 29.466 4.326 12.604 1.00 0.00 H new ATOM 0 HG3 GLU B 23 28.135 3.401 13.270 1.00 0.00 H new ATOM 974 N ALA B 24 31.156 3.334 9.959 1.00 0.00 N ATOM 975 CA ALA B 24 32.641 3.365 10.068 1.00 0.00 C ATOM 976 C ALA B 24 33.198 4.475 9.176 1.00 0.00 C ATOM 977 O ALA B 24 34.090 5.206 9.559 1.00 0.00 O ATOM 978 CB ALA B 24 33.106 1.994 9.576 1.00 0.00 C ATOM 0 H ALA B 24 30.767 2.477 9.566 1.00 0.00 H new ATOM 0 HA ALA B 24 32.982 3.564 11.084 1.00 0.00 H new ATOM 0 HB1 ALA B 24 34.193 1.939 9.626 1.00 0.00 H new ATOM 0 HB2 ALA B 24 32.674 1.216 10.205 1.00 0.00 H new ATOM 0 HB3 ALA B 24 32.783 1.848 8.545 1.00 0.00 H new ATOM 984 N LEU B 25 32.671 4.613 7.989 1.00 0.00 N ATOM 985 CA LEU B 25 33.162 5.683 7.076 1.00 0.00 C ATOM 986 C LEU B 25 33.146 7.026 7.805 1.00 0.00 C ATOM 987 O LEU B 25 34.067 7.811 7.705 1.00 0.00 O ATOM 988 CB LEU B 25 32.177 5.691 5.906 1.00 0.00 C ATOM 989 CG LEU B 25 32.460 6.897 5.008 1.00 0.00 C ATOM 990 CD1 LEU B 25 32.028 6.581 3.575 1.00 0.00 C ATOM 991 CD2 LEU B 25 31.674 8.107 5.521 1.00 0.00 C ATOM 0 H LEU B 25 31.922 4.031 7.613 1.00 0.00 H new ATOM 0 HA LEU B 25 34.184 5.511 6.739 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.269 4.768 5.333 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.154 5.734 6.279 1.00 0.00 H new ATOM 0 HG LEU B 25 33.527 7.120 5.024 1.00 0.00 H new ATOM 0 HD11 LEU B 25 32.230 7.441 2.936 1.00 0.00 H new ATOM 0 HD12 LEU B 25 32.585 5.718 3.209 1.00 0.00 H new ATOM 0 HD13 LEU B 25 30.961 6.359 3.557 1.00 0.00 H new ATOM 0 HD21 LEU B 25 31.874 8.968 4.883 1.00 0.00 H new ATOM 0 HD22 LEU B 25 30.608 7.882 5.504 1.00 0.00 H new ATOM 0 HD23 LEU B 25 31.980 8.333 6.542 1.00 0.00 H new ATOM 1003 N GLU B 26 32.105 7.292 8.547 1.00 0.00 N ATOM 1004 CA GLU B 26 32.031 8.579 9.292 1.00 0.00 C ATOM 1005 C GLU B 26 33.204 8.677 10.270 1.00 0.00 C ATOM 1006 O GLU B 26 33.951 9.635 10.266 1.00 0.00 O ATOM 1007 CB GLU B 26 30.702 8.526 10.046 1.00 0.00 C ATOM 1008 CG GLU B 26 30.617 9.706 11.015 1.00 0.00 C ATOM 1009 CD GLU B 26 30.374 10.995 10.228 1.00 0.00 C ATOM 1010 OE1 GLU B 26 29.883 10.901 9.114 1.00 0.00 O ATOM 1011 OE2 GLU B 26 30.681 12.053 10.751 1.00 0.00 O ATOM 0 H GLU B 26 31.303 6.673 8.669 1.00 0.00 H new ATOM 0 HA GLU B 26 32.086 9.447 8.635 1.00 0.00 H new ATOM 0 HB2 GLU B 26 29.871 8.560 9.342 1.00 0.00 H new ATOM 0 HB3 GLU B 26 30.619 7.586 10.592 1.00 0.00 H new ATOM 0 HG2 GLU B 26 29.810 9.546 11.730 1.00 0.00 H new ATOM 0 HG3 GLU B 26 31.540 9.786 11.589 1.00 0.00 H new ATOM 1018 N LEU B 27 33.378 7.686 11.101 1.00 0.00 N ATOM 1019 CA LEU B 27 34.509 7.717 12.071 1.00 0.00 C ATOM 1020 C LEU B 27 35.839 7.658 11.316 1.00 0.00 C ATOM 1021 O LEU B 27 36.849 8.152 11.774 1.00 0.00 O ATOM 1022 CB LEU B 27 34.324 6.468 12.935 1.00 0.00 C ATOM 1023 CG LEU B 27 34.452 6.843 14.412 1.00 0.00 C ATOM 1024 CD1 LEU B 27 33.276 6.252 15.192 1.00 0.00 C ATOM 1025 CD2 LEU B 27 35.763 6.282 14.969 1.00 0.00 C ATOM 0 H LEU B 27 32.786 6.857 11.150 1.00 0.00 H new ATOM 0 HA LEU B 27 34.520 8.626 12.672 1.00 0.00 H new ATOM 0 HB2 LEU B 27 33.347 6.024 12.745 1.00 0.00 H new ATOM 0 HB3 LEU B 27 35.071 5.719 12.674 1.00 0.00 H new ATOM 0 HG LEU B 27 34.448 7.928 14.512 1.00 0.00 H new ATOM 0 HD11 LEU B 27 33.367 6.519 16.245 1.00 0.00 H new ATOM 0 HD12 LEU B 27 32.341 6.649 14.796 1.00 0.00 H new ATOM 0 HD13 LEU B 27 33.281 5.167 15.091 1.00 0.00 H new ATOM 0 HD21 LEU B 27 35.855 6.549 16.022 1.00 0.00 H new ATOM 0 HD22 LEU B 27 35.766 5.197 14.868 1.00 0.00 H new ATOM 0 HD23 LEU B 27 36.603 6.700 14.414 1.00 0.00 H new ATOM 1037 N LYS B 28 35.841 7.057 10.156 1.00 0.00 N ATOM 1038 CA LYS B 28 37.099 6.963 9.361 1.00 0.00 C ATOM 1039 C LYS B 28 37.544 8.359 8.914 1.00 0.00 C ATOM 1040 O LYS B 28 38.720 8.641 8.802 1.00 0.00 O ATOM 1041 CB LYS B 28 36.735 6.098 8.153 1.00 0.00 C ATOM 1042 CG LYS B 28 37.885 6.104 7.143 1.00 0.00 C ATOM 1043 CD LYS B 28 39.208 5.848 7.869 1.00 0.00 C ATOM 1044 CE LYS B 28 40.312 5.585 6.841 1.00 0.00 C ATOM 1045 NZ LYS B 28 41.356 6.608 7.126 1.00 0.00 N ATOM 0 H LYS B 28 35.023 6.626 9.724 1.00 0.00 H new ATOM 0 HA LYS B 28 37.924 6.537 9.933 1.00 0.00 H new ATOM 0 HB2 LYS B 28 36.527 5.077 8.475 1.00 0.00 H new ATOM 0 HB3 LYS B 28 35.826 6.476 7.685 1.00 0.00 H new ATOM 0 HG2 LYS B 28 37.721 5.338 6.385 1.00 0.00 H new ATOM 0 HG3 LYS B 28 37.922 7.062 6.625 1.00 0.00 H new ATOM 0 HD2 LYS B 28 39.469 6.708 8.486 1.00 0.00 H new ATOM 0 HD3 LYS B 28 39.108 4.993 8.538 1.00 0.00 H new ATOM 0 HE2 LYS B 28 40.711 4.576 6.940 1.00 0.00 H new ATOM 0 HE3 LYS B 28 39.934 5.680 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 42.147 6.492 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 40.949 7.559 7.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 41.702 6.489 8.099 1.00 0.00 H new ATOM 1059 N ASP B 29 36.611 9.236 8.660 1.00 0.00 N ATOM 1060 CA ASP B 29 36.983 10.612 8.222 1.00 0.00 C ATOM 1061 C ASP B 29 37.333 11.477 9.435 1.00 0.00 C ATOM 1062 O ASP B 29 38.119 12.399 9.346 1.00 0.00 O ATOM 1063 CB ASP B 29 35.738 11.155 7.518 1.00 0.00 C ATOM 1064 CG ASP B 29 35.865 10.931 6.010 1.00 0.00 C ATOM 1065 OD1 ASP B 29 36.957 11.104 5.495 1.00 0.00 O ATOM 1066 OD2 ASP B 29 34.867 10.591 5.396 1.00 0.00 O ATOM 0 H ASP B 29 35.609 9.060 8.737 1.00 0.00 H new ATOM 0 HA ASP B 29 37.855 10.615 7.568 1.00 0.00 H new ATOM 0 HB2 ASP B 29 34.846 10.655 7.897 1.00 0.00 H new ATOM 0 HB3 ASP B 29 35.622 12.218 7.730 1.00 0.00 H new ATOM 1071 N ALA B 30 36.755 11.188 10.569 1.00 0.00 N ATOM 1072 CA ALA B 30 37.056 11.995 11.786 1.00 0.00 C ATOM 1073 C ALA B 30 38.392 11.559 12.393 1.00 0.00 C ATOM 1074 O ALA B 30 38.824 12.079 13.403 1.00 0.00 O ATOM 1075 CB ALA B 30 35.908 11.701 12.751 1.00 0.00 C ATOM 0 H ALA B 30 36.088 10.429 10.706 1.00 0.00 H new ATOM 0 HA ALA B 30 37.140 13.059 11.565 1.00 0.00 H new ATOM 0 HB1 ALA B 30 36.057 12.260 13.675 1.00 0.00 H new ATOM 0 HB2 ALA B 30 34.964 11.999 12.295 1.00 0.00 H new ATOM 0 HB3 ALA B 30 35.883 10.634 12.973 1.00 0.00 H new ATOM 1081 N GLN B 31 39.047 10.607 11.788 1.00 0.00 N ATOM 1082 CA GLN B 31 40.354 10.140 12.333 1.00 0.00 C ATOM 1083 C GLN B 31 41.345 9.892 11.193 1.00 0.00 C ATOM 1084 O GLN B 31 40.972 9.810 10.039 1.00 0.00 O ATOM 1085 CB GLN B 31 40.036 8.833 13.060 1.00 0.00 C ATOM 1086 CG GLN B 31 39.659 7.758 12.038 1.00 0.00 C ATOM 1087 CD GLN B 31 40.732 6.668 12.023 1.00 0.00 C ATOM 1088 OE1 GLN B 31 41.906 6.956 11.904 1.00 0.00 O ATOM 1089 NE2 GLN B 31 40.376 5.418 12.138 1.00 0.00 N ATOM 0 H GLN B 31 38.735 10.132 10.941 1.00 0.00 H new ATOM 0 HA GLN B 31 40.811 10.875 12.996 1.00 0.00 H new ATOM 0 HB2 GLN B 31 40.899 8.509 13.642 1.00 0.00 H new ATOM 0 HB3 GLN B 31 39.216 8.985 13.762 1.00 0.00 H new ATOM 0 HG2 GLN B 31 38.690 7.326 12.290 1.00 0.00 H new ATOM 0 HG3 GLN B 31 39.562 8.201 11.047 1.00 0.00 H new ATOM 0 HE21 GLN B 31 39.390 5.176 12.238 1.00 0.00 H new ATOM 0 HE22 GLN B 31 41.083 4.683 12.128 1.00 0.00 H new