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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 17:sc= 0.163 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.085) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 8:sc= 0.647 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : B 22 ASN : amide:sc= -0.91 K(o=-0.91,f=-0.26) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.0517 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 16.363 6.829 4.678 1.00 0.00 N ATOM 38 CA TYR A 4 17.349 5.792 4.255 1.00 0.00 C ATOM 39 C TYR A 4 18.597 6.456 3.669 1.00 0.00 C ATOM 40 O TYR A 4 18.598 7.630 3.355 1.00 0.00 O ATOM 41 CB TYR A 4 16.625 4.972 3.187 1.00 0.00 C ATOM 42 CG TYR A 4 16.212 5.878 2.051 1.00 0.00 C ATOM 43 CD1 TYR A 4 14.988 6.556 2.107 1.00 0.00 C ATOM 44 CD2 TYR A 4 17.052 6.041 0.944 1.00 0.00 C ATOM 45 CE1 TYR A 4 14.605 7.397 1.054 1.00 0.00 C ATOM 46 CE2 TYR A 4 16.670 6.881 -0.108 1.00 0.00 C ATOM 47 CZ TYR A 4 15.446 7.559 -0.053 1.00 0.00 C ATOM 48 OH TYR A 4 15.069 8.388 -1.090 1.00 0.00 O ATOM 0 HA TYR A 4 17.682 5.173 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 4 17.277 4.181 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 4 15.748 4.488 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.340 6.431 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 4 17.996 5.518 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 4 13.661 7.920 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 4 17.319 7.006 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 4 15.767 8.389 -1.778 1.00 0.00 H new ATOM 58 N PHE A 5 19.661 5.715 3.518 1.00 0.00 N ATOM 59 CA PHE A 5 20.908 6.306 2.952 1.00 0.00 C ATOM 60 C PHE A 5 21.317 5.562 1.678 1.00 0.00 C ATOM 61 O PHE A 5 20.831 4.487 1.391 1.00 0.00 O ATOM 62 CB PHE A 5 21.965 6.122 4.041 1.00 0.00 C ATOM 63 CG PHE A 5 21.478 6.746 5.327 1.00 0.00 C ATOM 64 CD1 PHE A 5 20.651 6.018 6.190 1.00 0.00 C ATOM 65 CD2 PHE A 5 21.854 8.054 5.655 1.00 0.00 C ATOM 66 CE1 PHE A 5 20.200 6.597 7.382 1.00 0.00 C ATOM 67 CE2 PHE A 5 21.403 8.634 6.847 1.00 0.00 C ATOM 68 CZ PHE A 5 20.576 7.905 7.711 1.00 0.00 C ATOM 0 H PHE A 5 19.721 4.726 3.762 1.00 0.00 H new ATOM 0 HA PHE A 5 20.780 7.354 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 5 22.166 5.061 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 5 22.903 6.583 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 5 20.361 5.009 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 5 22.492 8.616 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.562 6.035 8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 5 21.693 9.643 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 5 20.228 8.352 8.631 1.00 0.00 H new ATOM 78 N THR A 6 22.209 6.128 0.911 1.00 0.00 N ATOM 79 CA THR A 6 22.650 5.455 -0.344 1.00 0.00 C ATOM 80 C THR A 6 24.036 5.959 -0.754 1.00 0.00 C ATOM 81 O THR A 6 24.429 7.061 -0.427 1.00 0.00 O ATOM 82 CB THR A 6 21.604 5.845 -1.390 1.00 0.00 C ATOM 83 OG1 THR A 6 20.421 5.086 -1.179 1.00 0.00 O ATOM 84 CG2 THR A 6 22.148 5.564 -2.792 1.00 0.00 C ATOM 0 H THR A 6 22.651 7.028 1.099 1.00 0.00 H new ATOM 0 HA THR A 6 22.727 4.374 -0.229 1.00 0.00 H new ATOM 0 HB THR A 6 21.378 6.907 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.435 4.702 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.401 5.843 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 6 23.055 6.146 -2.954 1.00 0.00 H new ATOM 0 HG23 THR A 6 22.376 4.502 -2.888 1.00 0.00 H new ATOM 92 N LEU A 7 24.779 5.159 -1.469 1.00 0.00 N ATOM 93 CA LEU A 7 26.139 5.593 -1.901 1.00 0.00 C ATOM 94 C LEU A 7 26.414 5.123 -3.332 1.00 0.00 C ATOM 95 O LEU A 7 25.939 4.089 -3.758 1.00 0.00 O ATOM 96 CB LEU A 7 27.100 4.920 -0.921 1.00 0.00 C ATOM 97 CG LEU A 7 27.743 5.981 -0.027 1.00 0.00 C ATOM 98 CD1 LEU A 7 28.424 5.303 1.162 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.784 6.762 -0.832 1.00 0.00 C ATOM 0 H LEU A 7 24.504 4.225 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 7 26.247 6.678 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.564 4.192 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.870 4.374 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 7 26.975 6.664 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 7 28.882 6.060 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 7 27.684 4.745 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 7 29.192 4.620 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.243 7.519 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 7 29.552 6.078 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.300 7.246 -1.680 1.00 0.00 H new ATOM 111 N GLN A 8 27.176 5.876 -4.079 1.00 0.00 N ATOM 112 CA GLN A 8 27.477 5.470 -5.482 1.00 0.00 C ATOM 113 C GLN A 8 28.986 5.306 -5.676 1.00 0.00 C ATOM 114 O GLN A 8 29.771 6.132 -5.254 1.00 0.00 O ATOM 115 CB GLN A 8 26.948 6.615 -6.346 1.00 0.00 C ATOM 116 CG GLN A 8 25.551 7.015 -5.867 1.00 0.00 C ATOM 117 CD GLN A 8 24.871 7.871 -6.936 1.00 0.00 C ATOM 118 OE1 GLN A 8 23.751 7.604 -7.324 1.00 0.00 O ATOM 119 NE2 GLN A 8 25.505 8.898 -7.433 1.00 0.00 N ATOM 0 H GLN A 8 27.602 6.753 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 8 27.019 4.516 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 8 27.622 7.470 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 8 26.911 6.308 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 8 24.955 6.125 -5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 8 25.621 7.570 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 8 26.445 9.123 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.060 9.476 -8.146 1.00 0.00 H new ATOM 128 N ILE A 9 29.398 4.244 -6.313 1.00 0.00 N ATOM 129 CA ILE A 9 30.855 4.026 -6.538 1.00 0.00 C ATOM 130 C ILE A 9 31.151 3.940 -8.038 1.00 0.00 C ATOM 131 O ILE A 9 30.303 3.573 -8.827 1.00 0.00 O ATOM 132 CB ILE A 9 31.166 2.695 -5.854 1.00 0.00 C ATOM 133 CG1 ILE A 9 31.102 2.876 -4.336 1.00 0.00 C ATOM 134 CG2 ILE A 9 32.567 2.229 -6.253 1.00 0.00 C ATOM 135 CD1 ILE A 9 29.761 2.356 -3.815 1.00 0.00 C ATOM 0 H ILE A 9 28.788 3.517 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 9 31.461 4.840 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 9 30.434 1.949 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 9 31.922 2.338 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 9 31.220 3.929 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 9 32.788 1.280 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 9 32.613 2.100 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 9 33.300 2.975 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 9 29.716 2.485 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 9 28.949 2.914 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 9 29.662 1.298 -4.058 1.00 0.00 H new ATOM 147 N ARG A 10 32.346 4.277 -8.437 1.00 0.00 N ATOM 148 CA ARG A 10 32.692 4.215 -9.887 1.00 0.00 C ATOM 149 C ARG A 10 33.632 3.038 -10.157 1.00 0.00 C ATOM 150 O ARG A 10 33.907 2.698 -11.290 1.00 0.00 O ATOM 151 CB ARG A 10 33.393 5.541 -10.184 1.00 0.00 C ATOM 152 CG ARG A 10 32.598 6.689 -9.560 1.00 0.00 C ATOM 153 CD ARG A 10 32.775 7.952 -10.405 1.00 0.00 C ATOM 154 NE ARG A 10 31.482 8.681 -10.280 1.00 0.00 N ATOM 155 CZ ARG A 10 31.058 9.429 -11.261 1.00 0.00 C ATOM 156 NH1 ARG A 10 31.648 10.564 -11.518 1.00 0.00 N ATOM 157 NH2 ARG A 10 30.044 9.042 -11.986 1.00 0.00 N ATOM 0 H ARG A 10 33.098 4.592 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 10 31.813 4.069 -10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 10 34.407 5.526 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 10 33.478 5.686 -11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 10 31.542 6.424 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 10 32.939 6.870 -8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 10 33.606 8.557 -10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.990 7.705 -11.445 1.00 0.00 H new ATOM 0 HE ARG A 10 30.928 8.595 -9.428 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.441 10.866 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.317 11.149 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.583 8.155 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 10 29.713 9.627 -12.753 1.00 0.00 H new ATOM 171 N GLY A 11 34.127 2.413 -9.124 1.00 0.00 N ATOM 172 CA GLY A 11 35.048 1.259 -9.322 1.00 0.00 C ATOM 173 C GLY A 11 34.390 -0.016 -8.796 1.00 0.00 C ATOM 174 O GLY A 11 34.002 -0.098 -7.648 1.00 0.00 O ATOM 0 H GLY A 11 33.933 2.652 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.286 1.148 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.988 1.437 -8.800 1.00 0.00 H new ATOM 178 N ARG A 12 34.260 -1.013 -9.626 1.00 0.00 N ATOM 179 CA ARG A 12 33.626 -2.283 -9.171 1.00 0.00 C ATOM 180 C ARG A 12 34.453 -2.914 -8.048 1.00 0.00 C ATOM 181 O ARG A 12 33.928 -3.320 -7.030 1.00 0.00 O ATOM 182 CB ARG A 12 33.618 -3.186 -10.405 1.00 0.00 C ATOM 183 CG ARG A 12 32.742 -4.411 -10.136 1.00 0.00 C ATOM 184 CD ARG A 12 32.469 -5.144 -11.452 1.00 0.00 C ATOM 185 NE ARG A 12 32.153 -6.543 -11.052 1.00 0.00 N ATOM 186 CZ ARG A 12 31.999 -7.464 -11.964 1.00 0.00 C ATOM 187 NH1 ARG A 12 31.022 -7.373 -12.825 1.00 0.00 N ATOM 188 NH2 ARG A 12 32.822 -8.475 -12.015 1.00 0.00 N ATOM 0 H ARG A 12 34.565 -1.004 -10.599 1.00 0.00 H new ATOM 0 HA ARG A 12 32.623 -2.126 -8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 12 33.239 -2.637 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 34.634 -3.498 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 12 33.239 -5.079 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 31.802 -4.105 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 12 31.638 -4.690 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 12 33.336 -5.108 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 12 32.057 -6.782 -10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 12 30.379 -6.582 -12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 12 30.902 -8.093 -13.538 1.00 0.00 H new ATOM 0 HH21 ARG A 12 33.585 -8.546 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 12 32.702 -9.195 -12.728 1.00 0.00 H new ATOM 202 N GLU A 13 35.743 -3.000 -8.225 1.00 0.00 N ATOM 203 CA GLU A 13 36.603 -3.604 -7.167 1.00 0.00 C ATOM 204 C GLU A 13 36.209 -3.065 -5.789 1.00 0.00 C ATOM 205 O GLU A 13 36.275 -3.763 -4.797 1.00 0.00 O ATOM 206 CB GLU A 13 38.026 -3.174 -7.523 1.00 0.00 C ATOM 207 CG GLU A 13 38.974 -4.366 -7.371 1.00 0.00 C ATOM 208 CD GLU A 13 40.075 -4.281 -8.430 1.00 0.00 C ATOM 209 OE1 GLU A 13 40.765 -3.276 -8.458 1.00 0.00 O ATOM 210 OE2 GLU A 13 40.208 -5.223 -9.194 1.00 0.00 O ATOM 0 H GLU A 13 36.239 -2.678 -9.056 1.00 0.00 H new ATOM 0 HA GLU A 13 36.502 -4.688 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 13 38.058 -2.798 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 13 38.344 -2.358 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 13 39.414 -4.370 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 13 38.422 -5.300 -7.479 1.00 0.00 H new ATOM 217 N ARG A 14 35.792 -1.830 -5.722 1.00 0.00 N ATOM 218 CA ARG A 14 35.387 -1.250 -4.413 1.00 0.00 C ATOM 219 C ARG A 14 33.945 -1.651 -4.104 1.00 0.00 C ATOM 220 O ARG A 14 33.598 -1.972 -2.982 1.00 0.00 O ATOM 221 CB ARG A 14 35.497 0.264 -4.599 1.00 0.00 C ATOM 222 CG ARG A 14 36.894 0.616 -5.113 1.00 0.00 C ATOM 223 CD ARG A 14 36.791 1.735 -6.152 1.00 0.00 C ATOM 224 NE ARG A 14 36.383 2.942 -5.379 1.00 0.00 N ATOM 225 CZ ARG A 14 35.837 3.956 -5.993 1.00 0.00 C ATOM 226 NH1 ARG A 14 36.359 4.407 -7.100 1.00 0.00 N ATOM 227 NH2 ARG A 14 34.768 4.519 -5.499 1.00 0.00 N ATOM 0 H ARG A 14 35.715 -1.198 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 14 36.007 -1.599 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 14 34.741 0.610 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 14 35.307 0.772 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 14 37.528 0.932 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 14 37.362 -0.263 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 14 37.744 1.893 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 14 36.058 1.493 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 14 36.530 2.976 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 14 37.194 3.967 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 14 35.932 5.200 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 14 34.360 4.166 -4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 14 34.341 5.312 -5.979 1.00 0.00 H new ATOM 241 N PHE A 15 33.101 -1.637 -5.100 1.00 0.00 N ATOM 242 CA PHE A 15 31.682 -2.017 -4.873 1.00 0.00 C ATOM 243 C PHE A 15 31.599 -3.467 -4.394 1.00 0.00 C ATOM 244 O PHE A 15 30.962 -3.769 -3.405 1.00 0.00 O ATOM 245 CB PHE A 15 30.997 -1.860 -6.231 1.00 0.00 C ATOM 246 CG PHE A 15 29.549 -2.268 -6.106 1.00 0.00 C ATOM 247 CD1 PHE A 15 28.589 -1.327 -5.717 1.00 0.00 C ATOM 248 CD2 PHE A 15 29.169 -3.589 -6.372 1.00 0.00 C ATOM 249 CE1 PHE A 15 27.247 -1.707 -5.594 1.00 0.00 C ATOM 250 CE2 PHE A 15 27.827 -3.968 -6.250 1.00 0.00 C ATOM 251 CZ PHE A 15 26.867 -3.028 -5.860 1.00 0.00 C ATOM 0 H PHE A 15 33.335 -1.379 -6.059 1.00 0.00 H new ATOM 0 HA PHE A 15 31.208 -1.399 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 15 31.068 -0.827 -6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 15 31.498 -2.476 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 15 28.883 -0.308 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 15 29.911 -4.315 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 15 26.505 -0.981 -5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.533 -4.986 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 15 25.832 -3.322 -5.764 1.00 0.00 H new ATOM 261 N GLU A 16 32.243 -4.368 -5.086 1.00 0.00 N ATOM 262 CA GLU A 16 32.205 -5.796 -4.665 1.00 0.00 C ATOM 263 C GLU A 16 32.387 -5.892 -3.149 1.00 0.00 C ATOM 264 O GLU A 16 31.745 -6.681 -2.484 1.00 0.00 O ATOM 265 CB GLU A 16 33.378 -6.457 -5.390 1.00 0.00 C ATOM 266 CG GLU A 16 32.968 -6.793 -6.825 1.00 0.00 C ATOM 267 CD GLU A 16 32.281 -8.160 -6.853 1.00 0.00 C ATOM 268 OE1 GLU A 16 32.141 -8.752 -5.795 1.00 0.00 O ATOM 269 OE2 GLU A 16 31.908 -8.592 -7.931 1.00 0.00 O ATOM 0 H GLU A 16 32.793 -4.176 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 16 31.258 -6.278 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.240 -5.789 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.679 -7.363 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.294 -6.028 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.845 -6.802 -7.472 1.00 0.00 H new ATOM 276 N GLN A 17 33.256 -5.089 -2.598 1.00 0.00 N ATOM 277 CA GLN A 17 33.474 -5.129 -1.125 1.00 0.00 C ATOM 278 C GLN A 17 32.218 -4.643 -0.399 1.00 0.00 C ATOM 279 O GLN A 17 31.766 -5.246 0.554 1.00 0.00 O ATOM 280 CB GLN A 17 34.643 -4.177 -0.870 1.00 0.00 C ATOM 281 CG GLN A 17 35.961 -4.903 -1.145 1.00 0.00 C ATOM 282 CD GLN A 17 36.528 -5.447 0.168 1.00 0.00 C ATOM 283 OE1 GLN A 17 36.558 -6.643 0.380 1.00 0.00 O ATOM 284 NE2 GLN A 17 36.982 -4.614 1.064 1.00 0.00 N ATOM 0 H GLN A 17 33.823 -4.408 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 17 33.685 -6.135 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.558 -3.300 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.619 -3.822 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.799 -5.719 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.675 -4.221 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.957 -3.610 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 17 37.362 -4.967 1.942 1.00 0.00 H new ATOM 293 N PHE A 18 31.650 -3.555 -0.844 1.00 0.00 N ATOM 294 CA PHE A 18 30.422 -3.031 -0.178 1.00 0.00 C ATOM 295 C PHE A 18 29.243 -3.980 -0.418 1.00 0.00 C ATOM 296 O PHE A 18 28.590 -4.414 0.510 1.00 0.00 O ATOM 297 CB PHE A 18 30.170 -1.669 -0.829 1.00 0.00 C ATOM 298 CG PHE A 18 31.351 -0.752 -0.584 1.00 0.00 C ATOM 299 CD1 PHE A 18 32.410 -1.160 0.243 1.00 0.00 C ATOM 300 CD2 PHE A 18 31.386 0.512 -1.185 1.00 0.00 C ATOM 301 CE1 PHE A 18 33.496 -0.307 0.465 1.00 0.00 C ATOM 302 CE2 PHE A 18 32.474 1.366 -0.961 1.00 0.00 C ATOM 303 CZ PHE A 18 33.528 0.956 -0.137 1.00 0.00 C ATOM 0 H PHE A 18 31.982 -3.007 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 18 30.539 -2.946 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 18 30.011 -1.792 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.262 -1.224 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 18 32.386 -2.134 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.574 0.829 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 18 34.310 -0.623 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 18 32.499 2.341 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 18 34.367 1.615 0.035 1.00 0.00 H new ATOM 313 N ARG A 19 28.967 -4.310 -1.652 1.00 0.00 N ATOM 314 CA ARG A 19 27.833 -5.236 -1.936 1.00 0.00 C ATOM 315 C ARG A 19 27.849 -6.398 -0.937 1.00 0.00 C ATOM 316 O ARG A 19 26.898 -6.622 -0.210 1.00 0.00 O ATOM 317 CB ARG A 19 28.085 -5.744 -3.357 1.00 0.00 C ATOM 318 CG ARG A 19 26.935 -6.656 -3.786 1.00 0.00 C ATOM 319 CD ARG A 19 25.651 -5.833 -3.913 1.00 0.00 C ATOM 320 NE ARG A 19 24.570 -6.837 -4.118 1.00 0.00 N ATOM 321 CZ ARG A 19 23.323 -6.501 -3.931 1.00 0.00 C ATOM 322 NH1 ARG A 19 22.932 -6.071 -2.762 1.00 0.00 N ATOM 323 NH2 ARG A 19 22.468 -6.595 -4.911 1.00 0.00 N ATOM 0 H ARG A 19 29.476 -3.980 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 19 26.862 -4.749 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 19 28.172 -4.903 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 19 29.029 -6.288 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 19 27.170 -7.132 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 19 26.798 -7.454 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 19 25.473 -5.238 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 19 25.709 -5.138 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 19 24.805 -7.787 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 19 23.601 -5.998 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.957 -5.808 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.774 -6.931 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.493 -6.332 -4.764 1.00 0.00 H new ATOM 337 N GLU A 20 28.928 -7.132 -0.889 1.00 0.00 N ATOM 338 CA GLU A 20 29.011 -8.270 0.069 1.00 0.00 C ATOM 339 C GLU A 20 28.678 -7.779 1.479 1.00 0.00 C ATOM 340 O GLU A 20 27.966 -8.427 2.222 1.00 0.00 O ATOM 341 CB GLU A 20 30.462 -8.747 -0.007 1.00 0.00 C ATOM 342 CG GLU A 20 30.571 -10.152 0.587 1.00 0.00 C ATOM 343 CD GLU A 20 31.392 -11.041 -0.349 1.00 0.00 C ATOM 344 OE1 GLU A 20 31.474 -10.716 -1.522 1.00 0.00 O ATOM 345 OE2 GLU A 20 31.926 -12.031 0.124 1.00 0.00 O ATOM 0 H GLU A 20 29.754 -6.993 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 20 28.311 -9.071 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 30.800 -8.752 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 20 31.110 -8.060 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.042 -10.107 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.577 -10.576 0.729 1.00 0.00 H new ATOM 352 N ARG A 21 29.182 -6.633 1.850 1.00 0.00 N ATOM 353 CA ARG A 21 28.888 -6.095 3.207 1.00 0.00 C ATOM 354 C ARG A 21 27.390 -5.817 3.341 1.00 0.00 C ATOM 355 O ARG A 21 26.761 -6.205 4.306 1.00 0.00 O ATOM 356 CB ARG A 21 29.687 -4.795 3.303 1.00 0.00 C ATOM 357 CG ARG A 21 30.655 -4.878 4.483 1.00 0.00 C ATOM 358 CD ARG A 21 32.067 -4.528 4.010 1.00 0.00 C ATOM 359 NE ARG A 21 32.649 -5.818 3.548 1.00 0.00 N ATOM 360 CZ ARG A 21 33.804 -6.214 4.008 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.946 -6.471 5.279 1.00 0.00 N ATOM 362 NH2 ARG A 21 34.818 -6.351 3.197 1.00 0.00 N ATOM 0 H ARG A 21 29.784 -6.047 1.272 1.00 0.00 H new ATOM 0 HA ARG A 21 29.158 -6.793 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.238 -4.625 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.012 -3.949 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 21 30.344 -4.193 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 21 30.641 -5.881 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.043 -3.795 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.658 -4.095 4.817 1.00 0.00 H new ATOM 0 HE ARG A 21 32.145 -6.392 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.154 -6.362 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.849 -6.781 5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 21 34.707 -6.148 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.721 -6.661 3.557 1.00 0.00 H new ATOM 376 N ASN A 22 26.812 -5.151 2.377 1.00 0.00 N ATOM 377 CA ASN A 22 25.353 -4.856 2.446 1.00 0.00 C ATOM 378 C ASN A 22 24.598 -6.094 2.928 1.00 0.00 C ATOM 379 O ASN A 22 23.827 -6.039 3.865 1.00 0.00 O ATOM 380 CB ASN A 22 24.949 -4.502 1.015 1.00 0.00 C ATOM 381 CG ASN A 22 23.520 -3.957 1.009 1.00 0.00 C ATOM 382 OD1 ASN A 22 22.570 -4.712 0.956 1.00 0.00 O ATOM 383 ND2 ASN A 22 23.326 -2.668 1.065 1.00 0.00 N ATOM 0 H ASN A 22 27.287 -4.799 1.546 1.00 0.00 H new ATOM 0 HA ASN A 22 25.123 -4.048 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 22 25.634 -3.760 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.016 -5.384 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 22 22.377 -2.295 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 22 24.124 -2.034 1.110 1.00 0.00 H new ATOM 390 N GLU A 23 24.821 -7.215 2.299 1.00 0.00 N ATOM 391 CA GLU A 23 24.120 -8.458 2.731 1.00 0.00 C ATOM 392 C GLU A 23 24.428 -8.740 4.205 1.00 0.00 C ATOM 393 O GLU A 23 23.539 -8.955 5.010 1.00 0.00 O ATOM 394 CB GLU A 23 24.688 -9.564 1.841 1.00 0.00 C ATOM 395 CG GLU A 23 23.681 -10.712 1.744 1.00 0.00 C ATOM 396 CD GLU A 23 24.013 -11.771 2.796 1.00 0.00 C ATOM 397 OE1 GLU A 23 24.798 -11.474 3.682 1.00 0.00 O ATOM 398 OE2 GLU A 23 23.476 -12.862 2.699 1.00 0.00 O ATOM 0 H GLU A 23 25.455 -7.325 1.508 1.00 0.00 H new ATOM 0 HA GLU A 23 23.037 -8.381 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.903 -9.171 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 23 25.630 -9.927 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.669 -10.336 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.710 -11.152 0.747 1.00 0.00 H new ATOM 405 N ALA A 24 25.683 -8.731 4.567 1.00 0.00 N ATOM 406 CA ALA A 24 26.050 -8.989 5.988 1.00 0.00 C ATOM 407 C ALA A 24 25.341 -7.982 6.894 1.00 0.00 C ATOM 408 O ALA A 24 24.678 -8.345 7.844 1.00 0.00 O ATOM 409 CB ALA A 24 27.565 -8.796 6.049 1.00 0.00 C ATOM 0 H ALA A 24 26.469 -8.556 3.940 1.00 0.00 H new ATOM 0 HA ALA A 24 25.758 -9.985 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.913 -8.969 7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 28.049 -9.502 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 24 27.815 -7.778 5.748 1.00 0.00 H new ATOM 415 N LEU A 25 25.470 -6.717 6.601 1.00 0.00 N ATOM 416 CA LEU A 25 24.795 -5.688 7.440 1.00 0.00 C ATOM 417 C LEU A 25 23.287 -5.944 7.451 1.00 0.00 C ATOM 418 O LEU A 25 22.621 -5.749 8.448 1.00 0.00 O ATOM 419 CB LEU A 25 25.113 -4.353 6.767 1.00 0.00 C ATOM 420 CG LEU A 25 26.301 -3.697 7.471 1.00 0.00 C ATOM 421 CD1 LEU A 25 26.001 -3.566 8.966 1.00 0.00 C ATOM 422 CD2 LEU A 25 27.548 -4.562 7.277 1.00 0.00 C ATOM 0 H LEU A 25 26.013 -6.352 5.818 1.00 0.00 H new ATOM 0 HA LEU A 25 25.133 -5.704 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 25 25.343 -4.511 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.244 -3.696 6.809 1.00 0.00 H new ATOM 0 HG LEU A 25 26.473 -2.708 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.848 -3.098 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 25 25.112 -2.951 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 25.829 -4.555 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 28.396 -4.096 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.375 -5.551 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 25 27.763 -4.657 6.213 1.00 0.00 H new ATOM 434 N GLU A 26 22.745 -6.389 6.351 1.00 0.00 N ATOM 435 CA GLU A 26 21.284 -6.668 6.305 1.00 0.00 C ATOM 436 C GLU A 26 20.905 -7.584 7.470 1.00 0.00 C ATOM 437 O GLU A 26 19.940 -7.350 8.170 1.00 0.00 O ATOM 438 CB GLU A 26 21.053 -7.371 4.967 1.00 0.00 C ATOM 439 CG GLU A 26 19.559 -7.367 4.638 1.00 0.00 C ATOM 440 CD GLU A 26 19.306 -6.472 3.424 1.00 0.00 C ATOM 441 OE1 GLU A 26 20.209 -6.334 2.616 1.00 0.00 O ATOM 442 OE2 GLU A 26 18.212 -5.940 3.322 1.00 0.00 O ATOM 0 H GLU A 26 23.250 -6.571 5.484 1.00 0.00 H new ATOM 0 HA GLU A 26 20.680 -5.765 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.611 -6.866 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.423 -8.395 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.218 -8.382 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.988 -7.007 5.494 1.00 0.00 H new ATOM 449 N LEU A 27 21.667 -8.621 7.687 1.00 0.00 N ATOM 450 CA LEU A 27 21.358 -9.547 8.815 1.00 0.00 C ATOM 451 C LEU A 27 21.750 -8.897 10.147 1.00 0.00 C ATOM 452 O LEU A 27 21.162 -9.164 11.176 1.00 0.00 O ATOM 453 CB LEU A 27 22.207 -10.791 8.554 1.00 0.00 C ATOM 454 CG LEU A 27 21.721 -11.936 9.445 1.00 0.00 C ATOM 455 CD1 LEU A 27 20.469 -12.564 8.832 1.00 0.00 C ATOM 456 CD2 LEU A 27 22.820 -12.995 9.556 1.00 0.00 C ATOM 0 H LEU A 27 22.488 -8.867 7.134 1.00 0.00 H new ATOM 0 HA LEU A 27 20.297 -9.788 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 27 22.138 -11.078 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 23.256 -10.578 8.758 1.00 0.00 H new ATOM 0 HG LEU A 27 21.485 -11.550 10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.123 -13.380 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.686 -11.810 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 20.704 -12.951 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.476 -13.812 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.055 -13.381 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 27 23.713 -12.548 9.993 1.00 0.00 H new ATOM 468 N LYS A 28 22.739 -8.044 10.131 1.00 0.00 N ATOM 469 CA LYS A 28 23.169 -7.372 11.392 1.00 0.00 C ATOM 470 C LYS A 28 21.983 -6.633 12.022 1.00 0.00 C ATOM 471 O LYS A 28 21.566 -6.933 13.123 1.00 0.00 O ATOM 472 CB LYS A 28 24.266 -6.391 10.958 1.00 0.00 C ATOM 473 CG LYS A 28 24.387 -5.246 11.969 1.00 0.00 C ATOM 474 CD LYS A 28 24.362 -5.809 13.392 1.00 0.00 C ATOM 475 CE LYS A 28 25.540 -5.242 14.186 1.00 0.00 C ATOM 476 NZ LYS A 28 25.894 -6.309 15.162 1.00 0.00 N ATOM 0 H LYS A 28 23.268 -7.783 9.299 1.00 0.00 H new ATOM 0 HA LYS A 28 23.532 -8.074 12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.219 -6.914 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.035 -5.991 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.313 -4.696 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.568 -4.540 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 28 23.422 -5.550 13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.418 -6.897 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.381 -5.009 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.266 -4.317 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 26.696 -5.994 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.076 -6.504 15.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.157 -7.175 14.650 1.00 0.00 H new ATOM 490 N ASP A 29 21.436 -5.672 11.330 1.00 0.00 N ATOM 491 CA ASP A 29 20.277 -4.918 11.889 1.00 0.00 C ATOM 492 C ASP A 29 19.029 -5.803 11.897 1.00 0.00 C ATOM 493 O ASP A 29 18.140 -5.633 12.707 1.00 0.00 O ATOM 494 CB ASP A 29 20.087 -3.733 10.944 1.00 0.00 C ATOM 495 CG ASP A 29 20.409 -2.432 11.681 1.00 0.00 C ATOM 496 OD1 ASP A 29 19.990 -2.300 12.820 1.00 0.00 O ATOM 497 OD2 ASP A 29 21.070 -1.590 11.096 1.00 0.00 O ATOM 0 H ASP A 29 21.740 -5.376 10.403 1.00 0.00 H new ATOM 0 HA ASP A 29 20.447 -4.597 12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.736 -3.840 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 29 19.061 -3.710 10.575 1.00 0.00 H new ATOM 502 N ALA A 30 18.957 -6.748 11.001 1.00 0.00 N ATOM 503 CA ALA A 30 17.768 -7.646 10.957 1.00 0.00 C ATOM 504 C ALA A 30 17.880 -8.720 12.041 1.00 0.00 C ATOM 505 O ALA A 30 16.997 -9.537 12.213 1.00 0.00 O ATOM 506 CB ALA A 30 17.803 -8.281 9.567 1.00 0.00 C ATOM 0 H ALA A 30 19.670 -6.938 10.297 1.00 0.00 H new ATOM 0 HA ALA A 30 16.836 -7.109 11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.957 -8.959 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.745 -7.500 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.732 -8.838 9.445 1.00 0.00 H new ATOM 512 N GLN A 31 18.960 -8.725 12.774 1.00 0.00 N ATOM 513 CA GLN A 31 19.126 -9.748 13.847 1.00 0.00 C ATOM 514 C GLN A 31 18.331 -9.343 15.091 1.00 0.00 C ATOM 515 O GLN A 31 17.366 -9.983 15.457 1.00 0.00 O ATOM 516 CB GLN A 31 20.625 -9.765 14.149 1.00 0.00 C ATOM 517 CG GLN A 31 21.250 -11.034 13.564 1.00 0.00 C ATOM 518 CD GLN A 31 22.561 -11.339 14.290 1.00 0.00 C ATOM 519 OE1 GLN A 31 23.623 -11.283 13.701 1.00 0.00 O ATOM 520 NE2 GLN A 31 22.534 -11.663 15.554 1.00 0.00 N ATOM 0 H GLN A 31 19.733 -8.067 12.677 1.00 0.00 H new ATOM 0 HA GLN A 31 18.761 -10.729 13.543 1.00 0.00 H new ATOM 0 HB2 GLN A 31 21.102 -8.882 13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.790 -9.729 15.226 1.00 0.00 H new ATOM 0 HG2 GLN A 31 20.561 -11.872 13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 31 21.434 -10.903 12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.644 -11.710 16.049 1.00 0.00 H new ATOM 0 HE22 GLN A 31 23.403 -11.869 16.046 1.00 0.00 H new ATOM 606 N TYR B 4 29.564 2.543 -13.621 1.00 0.00 N ATOM 607 CA TYR B 4 29.735 2.695 -12.148 1.00 0.00 C ATOM 608 C TYR B 4 28.663 1.893 -11.405 1.00 0.00 C ATOM 609 O TYR B 4 27.684 1.463 -11.983 1.00 0.00 O ATOM 610 CB TYR B 4 29.567 4.191 -11.882 1.00 0.00 C ATOM 611 CG TYR B 4 28.205 4.637 -12.358 1.00 0.00 C ATOM 612 CD1 TYR B 4 28.024 5.033 -13.688 1.00 0.00 C ATOM 613 CD2 TYR B 4 27.124 4.655 -11.468 1.00 0.00 C ATOM 614 CE1 TYR B 4 26.761 5.446 -14.129 1.00 0.00 C ATOM 615 CE2 TYR B 4 25.861 5.069 -11.910 1.00 0.00 C ATOM 616 CZ TYR B 4 25.680 5.464 -13.240 1.00 0.00 C ATOM 617 OH TYR B 4 24.435 5.872 -13.675 1.00 0.00 O ATOM 0 HA TYR B 4 30.701 2.326 -11.804 1.00 0.00 H new ATOM 0 HB2 TYR B 4 29.677 4.397 -10.817 1.00 0.00 H new ATOM 0 HB3 TYR B 4 30.346 4.753 -12.397 1.00 0.00 H new ATOM 0 HD1 TYR B 4 28.858 5.020 -14.374 1.00 0.00 H new ATOM 0 HD2 TYR B 4 27.264 4.350 -10.442 1.00 0.00 H new ATOM 0 HE1 TYR B 4 26.621 5.751 -15.156 1.00 0.00 H new ATOM 0 HE2 TYR B 4 25.027 5.083 -11.224 1.00 0.00 H new ATOM 0 HH TYR B 4 23.797 5.824 -12.933 1.00 0.00 H new ATOM 627 N PHE B 5 28.838 1.689 -10.128 1.00 0.00 N ATOM 628 CA PHE B 5 27.827 0.916 -9.352 1.00 0.00 C ATOM 629 C PHE B 5 27.266 1.771 -8.213 1.00 0.00 C ATOM 630 O PHE B 5 27.812 2.802 -7.871 1.00 0.00 O ATOM 631 CB PHE B 5 28.589 -0.286 -8.793 1.00 0.00 C ATOM 632 CG PHE B 5 29.246 -1.038 -9.925 1.00 0.00 C ATOM 633 CD1 PHE B 5 30.499 -0.632 -10.401 1.00 0.00 C ATOM 634 CD2 PHE B 5 28.604 -2.142 -10.499 1.00 0.00 C ATOM 635 CE1 PHE B 5 31.109 -1.329 -11.450 1.00 0.00 C ATOM 636 CE2 PHE B 5 29.214 -2.840 -11.548 1.00 0.00 C ATOM 637 CZ PHE B 5 30.466 -2.433 -12.024 1.00 0.00 C ATOM 0 H PHE B 5 29.636 2.024 -9.589 1.00 0.00 H new ATOM 0 HA PHE B 5 26.980 0.612 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE B 5 29.342 0.048 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE B 5 27.907 -0.943 -8.253 1.00 0.00 H new ATOM 0 HD1 PHE B 5 30.995 0.219 -9.958 1.00 0.00 H new ATOM 0 HD2 PHE B 5 27.638 -2.455 -10.132 1.00 0.00 H new ATOM 0 HE1 PHE B 5 32.075 -1.016 -11.817 1.00 0.00 H new ATOM 0 HE2 PHE B 5 28.719 -3.692 -11.990 1.00 0.00 H new ATOM 0 HZ PHE B 5 30.936 -2.970 -12.834 1.00 0.00 H new ATOM 647 N THR B 6 26.181 1.352 -7.623 1.00 0.00 N ATOM 648 CA THR B 6 25.586 2.141 -6.507 1.00 0.00 C ATOM 649 C THR B 6 24.724 1.236 -5.622 1.00 0.00 C ATOM 650 O THR B 6 24.207 0.229 -6.063 1.00 0.00 O ATOM 651 CB THR B 6 24.727 3.206 -7.190 1.00 0.00 C ATOM 652 OG1 THR B 6 25.567 4.228 -7.708 1.00 0.00 O ATOM 653 CG2 THR B 6 23.754 3.810 -6.176 1.00 0.00 C ATOM 0 H THR B 6 25.680 0.497 -7.865 1.00 0.00 H new ATOM 0 HA THR B 6 26.344 2.584 -5.862 1.00 0.00 H new ATOM 0 HB THR B 6 24.163 2.750 -8.003 1.00 0.00 H new ATOM 0 HG1 THR B 6 26.504 3.953 -7.628 1.00 0.00 H new ATOM 0 HG21 THR B 6 23.143 4.569 -6.665 1.00 0.00 H new ATOM 0 HG22 THR B 6 23.110 3.026 -5.779 1.00 0.00 H new ATOM 0 HG23 THR B 6 24.315 4.266 -5.361 1.00 0.00 H new ATOM 661 N LEU B 7 24.565 1.588 -4.375 1.00 0.00 N ATOM 662 CA LEU B 7 23.737 0.748 -3.463 1.00 0.00 C ATOM 663 C LEU B 7 22.907 1.638 -2.533 1.00 0.00 C ATOM 664 O LEU B 7 23.321 2.718 -2.160 1.00 0.00 O ATOM 665 CB LEU B 7 24.744 -0.078 -2.662 1.00 0.00 C ATOM 666 CG LEU B 7 24.637 -1.548 -3.070 1.00 0.00 C ATOM 667 CD1 LEU B 7 25.850 -2.315 -2.542 1.00 0.00 C ATOM 668 CD2 LEU B 7 23.359 -2.147 -2.480 1.00 0.00 C ATOM 0 H LEU B 7 24.972 2.420 -3.949 1.00 0.00 H new ATOM 0 HA LEU B 7 23.034 0.116 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU B 7 25.755 0.288 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU B 7 24.551 0.029 -1.595 1.00 0.00 H new ATOM 0 HG LEU B 7 24.607 -1.622 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU B 7 25.773 -3.363 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU B 7 26.761 -1.888 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU B 7 25.882 -2.242 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU B 7 23.281 -3.195 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU B 7 23.390 -2.072 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU B 7 22.494 -1.601 -2.856 1.00 0.00 H new ATOM 680 N GLN B 8 21.739 1.193 -2.158 1.00 0.00 N ATOM 681 CA GLN B 8 20.885 2.016 -1.254 1.00 0.00 C ATOM 682 C GLN B 8 20.590 1.254 0.041 1.00 0.00 C ATOM 683 O GLN B 8 20.256 0.086 0.023 1.00 0.00 O ATOM 684 CB GLN B 8 19.595 2.257 -2.039 1.00 0.00 C ATOM 685 CG GLN B 8 19.938 2.663 -3.473 1.00 0.00 C ATOM 686 CD GLN B 8 18.702 3.267 -4.142 1.00 0.00 C ATOM 687 OE1 GLN B 8 18.767 4.340 -4.709 1.00 0.00 O ATOM 688 NE2 GLN B 8 17.569 2.619 -4.100 1.00 0.00 N ATOM 0 H GLN B 8 21.339 0.297 -2.438 1.00 0.00 H new ATOM 0 HA GLN B 8 21.370 2.949 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN B 8 18.984 1.354 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN B 8 19.006 3.039 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN B 8 20.754 3.386 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN B 8 20.282 1.795 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN B 8 17.514 1.718 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN B 8 16.739 3.013 -4.543 1.00 0.00 H new ATOM 697 N ILE B 9 20.709 1.908 1.164 1.00 0.00 N ATOM 698 CA ILE B 9 20.434 1.223 2.460 1.00 0.00 C ATOM 699 C ILE B 9 19.305 1.940 3.203 1.00 0.00 C ATOM 700 O ILE B 9 19.081 3.121 3.022 1.00 0.00 O ATOM 701 CB ILE B 9 21.742 1.320 3.245 1.00 0.00 C ATOM 702 CG1 ILE B 9 22.784 0.395 2.613 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.501 0.900 4.695 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.732 1.216 1.737 1.00 0.00 C ATOM 0 H ILE B 9 20.985 2.887 1.241 1.00 0.00 H new ATOM 0 HA ILE B 9 20.119 0.188 2.324 1.00 0.00 H new ATOM 0 HB ILE B 9 22.104 2.348 3.221 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.346 -0.122 3.391 1.00 0.00 H new ATOM 0 HG13 ILE B 9 22.291 -0.371 2.015 1.00 0.00 H new ATOM 0 HG21 ILE B 9 22.434 0.969 5.254 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.758 1.558 5.146 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.138 -0.128 4.721 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.474 0.557 1.287 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.163 1.712 0.951 1.00 0.00 H new ATOM 0 HD13 ILE B 9 24.235 1.965 2.348 1.00 0.00 H new ATOM 716 N ARG B 10 18.590 1.238 4.038 1.00 0.00 N ATOM 717 CA ARG B 10 17.475 1.882 4.790 1.00 0.00 C ATOM 718 C ARG B 10 17.859 2.052 6.262 1.00 0.00 C ATOM 719 O ARG B 10 17.177 2.715 7.019 1.00 0.00 O ATOM 720 CB ARG B 10 16.296 0.920 4.649 1.00 0.00 C ATOM 721 CG ARG B 10 16.172 0.475 3.191 1.00 0.00 C ATOM 722 CD ARG B 10 14.704 0.195 2.864 1.00 0.00 C ATOM 723 NE ARG B 10 14.553 0.569 1.431 1.00 0.00 N ATOM 724 CZ ARG B 10 13.409 1.016 0.989 1.00 0.00 C ATOM 725 NH1 ARG B 10 12.397 0.202 0.860 1.00 0.00 N ATOM 726 NH2 ARG B 10 13.278 2.276 0.677 1.00 0.00 N ATOM 0 H ARG B 10 18.729 0.246 4.233 1.00 0.00 H new ATOM 0 HA ARG B 10 17.238 2.875 4.409 1.00 0.00 H new ATOM 0 HB2 ARG B 10 16.441 0.053 5.294 1.00 0.00 H new ATOM 0 HB3 ARG B 10 15.375 1.407 4.971 1.00 0.00 H new ATOM 0 HG2 ARG B 10 16.561 1.249 2.529 1.00 0.00 H new ATOM 0 HG3 ARG B 10 16.770 -0.420 3.021 1.00 0.00 H new ATOM 0 HD2 ARG B 10 14.456 -0.854 3.027 1.00 0.00 H new ATOM 0 HD3 ARG B 10 14.039 0.782 3.498 1.00 0.00 H new ATOM 0 HE ARG B 10 15.344 0.476 0.794 1.00 0.00 H new ATOM 0 HH11 ARG B 10 12.500 -0.783 1.105 1.00 0.00 H new ATOM 0 HH12 ARG B 10 11.503 0.551 0.515 1.00 0.00 H new ATOM 0 HH21 ARG B 10 14.069 2.911 0.778 1.00 0.00 H new ATOM 0 HH22 ARG B 10 12.384 2.626 0.332 1.00 0.00 H new ATOM 740 N GLY B 11 18.946 1.459 6.674 1.00 0.00 N ATOM 741 CA GLY B 11 19.371 1.588 8.097 1.00 0.00 C ATOM 742 C GLY B 11 20.688 2.362 8.169 1.00 0.00 C ATOM 743 O GLY B 11 21.673 1.987 7.563 1.00 0.00 O ATOM 0 H GLY B 11 19.558 0.891 6.088 1.00 0.00 H new ATOM 0 HA2 GLY B 11 18.602 2.104 8.672 1.00 0.00 H new ATOM 0 HA3 GLY B 11 19.493 0.600 8.542 1.00 0.00 H new ATOM 747 N ARG B 12 20.716 3.439 8.905 1.00 0.00 N ATOM 748 CA ARG B 12 21.972 4.236 9.015 1.00 0.00 C ATOM 749 C ARG B 12 23.080 3.389 9.647 1.00 0.00 C ATOM 750 O ARG B 12 24.190 3.337 9.156 1.00 0.00 O ATOM 751 CB ARG B 12 21.615 5.416 9.920 1.00 0.00 C ATOM 752 CG ARG B 12 22.743 6.449 9.881 1.00 0.00 C ATOM 753 CD ARG B 12 22.261 7.757 10.514 1.00 0.00 C ATOM 754 NE ARG B 12 23.502 8.451 10.954 1.00 0.00 N ATOM 755 CZ ARG B 12 23.422 9.548 11.658 1.00 0.00 C ATOM 756 NH1 ARG B 12 22.877 10.616 11.142 1.00 0.00 N ATOM 757 NH2 ARG B 12 23.887 9.576 12.877 1.00 0.00 N ATOM 0 H ARG B 12 19.924 3.802 9.435 1.00 0.00 H new ATOM 0 HA ARG B 12 22.339 4.566 8.043 1.00 0.00 H new ATOM 0 HB2 ARG B 12 20.680 5.870 9.591 1.00 0.00 H new ATOM 0 HB3 ARG B 12 21.459 5.070 10.942 1.00 0.00 H new ATOM 0 HG2 ARG B 12 23.614 6.072 10.418 1.00 0.00 H new ATOM 0 HG3 ARG B 12 23.054 6.624 8.851 1.00 0.00 H new ATOM 0 HD2 ARG B 12 21.704 8.361 9.797 1.00 0.00 H new ATOM 0 HD3 ARG B 12 21.595 7.566 11.356 1.00 0.00 H new ATOM 0 HE ARG B 12 24.415 8.070 10.706 1.00 0.00 H new ATOM 0 HH11 ARG B 12 22.514 10.594 10.189 1.00 0.00 H new ATOM 0 HH12 ARG B 12 22.814 11.473 11.692 1.00 0.00 H new ATOM 0 HH21 ARG B 12 24.313 8.741 13.280 1.00 0.00 H new ATOM 0 HH22 ARG B 12 23.825 10.433 13.427 1.00 0.00 H new ATOM 771 N GLU B 13 22.787 2.724 10.731 1.00 0.00 N ATOM 772 CA GLU B 13 23.826 1.881 11.390 1.00 0.00 C ATOM 773 C GLU B 13 24.592 1.076 10.338 1.00 0.00 C ATOM 774 O GLU B 13 25.782 0.857 10.454 1.00 0.00 O ATOM 775 CB GLU B 13 23.049 0.949 12.320 1.00 0.00 C ATOM 776 CG GLU B 13 23.757 0.873 13.675 1.00 0.00 C ATOM 777 CD GLU B 13 22.717 0.739 14.788 1.00 0.00 C ATOM 778 OE1 GLU B 13 21.946 -0.206 14.741 1.00 0.00 O ATOM 779 OE2 GLU B 13 22.708 1.583 15.669 1.00 0.00 O ATOM 0 H GLU B 13 21.875 2.727 11.188 1.00 0.00 H new ATOM 0 HA GLU B 13 24.560 2.476 11.933 1.00 0.00 H new ATOM 0 HB2 GLU B 13 22.030 1.314 12.450 1.00 0.00 H new ATOM 0 HB3 GLU B 13 22.977 -0.045 11.879 1.00 0.00 H new ATOM 0 HG2 GLU B 13 24.437 0.022 13.694 1.00 0.00 H new ATOM 0 HG3 GLU B 13 24.360 1.767 13.832 1.00 0.00 H new ATOM 786 N ARG B 14 23.920 0.638 9.309 1.00 0.00 N ATOM 787 CA ARG B 14 24.610 -0.147 8.247 1.00 0.00 C ATOM 788 C ARG B 14 25.339 0.799 7.291 1.00 0.00 C ATOM 789 O ARG B 14 26.445 0.536 6.863 1.00 0.00 O ATOM 790 CB ARG B 14 23.494 -0.894 7.516 1.00 0.00 C ATOM 791 CG ARG B 14 22.650 -1.672 8.528 1.00 0.00 C ATOM 792 CD ARG B 14 21.174 -1.590 8.133 1.00 0.00 C ATOM 793 NE ARG B 14 21.064 -2.396 6.886 1.00 0.00 N ATOM 794 CZ ARG B 14 20.051 -2.220 6.083 1.00 0.00 C ATOM 795 NH1 ARG B 14 18.841 -2.149 6.565 1.00 0.00 N ATOM 796 NH2 ARG B 14 20.248 -2.115 4.797 1.00 0.00 N ATOM 0 H ARG B 14 22.923 0.790 9.158 1.00 0.00 H new ATOM 0 HA ARG B 14 25.356 -0.830 8.653 1.00 0.00 H new ATOM 0 HB2 ARG B 14 22.867 -0.189 6.970 1.00 0.00 H new ATOM 0 HB3 ARG B 14 23.920 -1.577 6.781 1.00 0.00 H new ATOM 0 HG2 ARG B 14 22.971 -2.713 8.561 1.00 0.00 H new ATOM 0 HG3 ARG B 14 22.793 -1.262 9.528 1.00 0.00 H new ATOM 0 HD2 ARG B 14 20.532 -1.989 8.919 1.00 0.00 H new ATOM 0 HD3 ARG B 14 20.867 -0.558 7.964 1.00 0.00 H new ATOM 0 HE ARG B 14 21.781 -3.086 6.660 1.00 0.00 H new ATOM 0 HH11 ARG B 14 18.687 -2.231 7.570 1.00 0.00 H new ATOM 0 HH12 ARG B 14 18.049 -2.011 5.937 1.00 0.00 H new ATOM 0 HH21 ARG B 14 21.194 -2.171 4.420 1.00 0.00 H new ATOM 0 HH22 ARG B 14 19.456 -1.977 4.169 1.00 0.00 H new ATOM 810 N PHE B 15 24.726 1.902 6.955 1.00 0.00 N ATOM 811 CA PHE B 15 25.385 2.866 6.030 1.00 0.00 C ATOM 812 C PHE B 15 26.680 3.389 6.654 1.00 0.00 C ATOM 813 O PHE B 15 27.727 3.378 6.036 1.00 0.00 O ATOM 814 CB PHE B 15 24.377 4.002 5.855 1.00 0.00 C ATOM 815 CG PHE B 15 24.968 5.063 4.959 1.00 0.00 C ATOM 816 CD1 PHE B 15 24.823 4.966 3.570 1.00 0.00 C ATOM 817 CD2 PHE B 15 25.664 6.142 5.517 1.00 0.00 C ATOM 818 CE1 PHE B 15 25.373 5.949 2.738 1.00 0.00 C ATOM 819 CE2 PHE B 15 26.214 7.125 4.685 1.00 0.00 C ATOM 820 CZ PHE B 15 26.069 7.028 3.296 1.00 0.00 C ATOM 0 H PHE B 15 23.799 2.176 7.281 1.00 0.00 H new ATOM 0 HA PHE B 15 25.651 2.409 5.077 1.00 0.00 H new ATOM 0 HB2 PHE B 15 23.452 3.619 5.423 1.00 0.00 H new ATOM 0 HB3 PHE B 15 24.122 4.430 6.825 1.00 0.00 H new ATOM 0 HD1 PHE B 15 24.287 4.133 3.140 1.00 0.00 H new ATOM 0 HD2 PHE B 15 25.777 6.216 6.589 1.00 0.00 H new ATOM 0 HE1 PHE B 15 25.260 5.875 1.666 1.00 0.00 H new ATOM 0 HE2 PHE B 15 26.750 7.958 5.115 1.00 0.00 H new ATOM 0 HZ PHE B 15 26.494 7.786 2.655 1.00 0.00 H new ATOM 830 N GLU B 16 26.620 3.843 7.877 1.00 0.00 N ATOM 831 CA GLU B 16 27.850 4.361 8.541 1.00 0.00 C ATOM 832 C GLU B 16 29.027 3.426 8.255 1.00 0.00 C ATOM 833 O GLU B 16 30.137 3.862 8.019 1.00 0.00 O ATOM 834 CB GLU B 16 27.522 4.371 10.034 1.00 0.00 C ATOM 835 CG GLU B 16 26.719 5.629 10.374 1.00 0.00 C ATOM 836 CD GLU B 16 27.678 6.788 10.654 1.00 0.00 C ATOM 837 OE1 GLU B 16 28.876 6.576 10.559 1.00 0.00 O ATOM 838 OE2 GLU B 16 27.198 7.867 10.959 1.00 0.00 O ATOM 0 H GLU B 16 25.773 3.877 8.444 1.00 0.00 H new ATOM 0 HA GLU B 16 28.131 5.351 8.183 1.00 0.00 H new ATOM 0 HB2 GLU B 16 26.951 3.481 10.297 1.00 0.00 H new ATOM 0 HB3 GLU B 16 28.441 4.345 10.619 1.00 0.00 H new ATOM 0 HG2 GLU B 16 26.055 5.884 9.548 1.00 0.00 H new ATOM 0 HG3 GLU B 16 26.089 5.447 11.244 1.00 0.00 H new ATOM 845 N GLN B 17 28.792 2.143 8.270 1.00 0.00 N ATOM 846 CA GLN B 17 29.895 1.179 7.993 1.00 0.00 C ATOM 847 C GLN B 17 30.346 1.308 6.536 1.00 0.00 C ATOM 848 O GLN B 17 31.524 1.358 6.242 1.00 0.00 O ATOM 849 CB GLN B 17 29.288 -0.201 8.247 1.00 0.00 C ATOM 850 CG GLN B 17 29.314 -0.504 9.746 1.00 0.00 C ATOM 851 CD GLN B 17 30.552 -1.339 10.077 1.00 0.00 C ATOM 852 OE1 GLN B 17 31.464 -0.865 10.726 1.00 0.00 O ATOM 853 NE2 GLN B 17 30.624 -2.573 9.656 1.00 0.00 N ATOM 0 H GLN B 17 27.884 1.720 8.462 1.00 0.00 H new ATOM 0 HA GLN B 17 30.771 1.358 8.617 1.00 0.00 H new ATOM 0 HB2 GLN B 17 28.263 -0.233 7.877 1.00 0.00 H new ATOM 0 HB3 GLN B 17 29.847 -0.962 7.702 1.00 0.00 H new ATOM 0 HG2 GLN B 17 29.326 0.425 10.315 1.00 0.00 H new ATOM 0 HG3 GLN B 17 28.411 -1.043 10.035 1.00 0.00 H new ATOM 0 HE21 GLN B 17 29.859 -2.971 9.111 1.00 0.00 H new ATOM 0 HE22 GLN B 17 31.445 -3.138 9.872 1.00 0.00 H new ATOM 862 N PHE B 18 29.416 1.363 5.622 1.00 0.00 N ATOM 863 CA PHE B 18 29.788 1.490 4.185 1.00 0.00 C ATOM 864 C PHE B 18 30.396 2.870 3.917 1.00 0.00 C ATOM 865 O PHE B 18 31.472 2.986 3.365 1.00 0.00 O ATOM 866 CB PHE B 18 28.474 1.313 3.420 1.00 0.00 C ATOM 867 CG PHE B 18 27.885 -0.054 3.710 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.595 -0.985 4.483 1.00 0.00 C ATOM 869 CD2 PHE B 18 26.624 -0.390 3.202 1.00 0.00 C ATOM 870 CE1 PHE B 18 28.046 -2.245 4.746 1.00 0.00 C ATOM 871 CE2 PHE B 18 26.074 -1.652 3.465 1.00 0.00 C ATOM 872 CZ PHE B 18 26.786 -2.579 4.237 1.00 0.00 C ATOM 0 H PHE B 18 28.414 1.325 5.809 1.00 0.00 H new ATOM 0 HA PHE B 18 30.534 0.756 3.881 1.00 0.00 H new ATOM 0 HB2 PHE B 18 27.768 2.091 3.709 1.00 0.00 H new ATOM 0 HB3 PHE B 18 28.649 1.423 2.350 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.568 -0.729 4.876 1.00 0.00 H new ATOM 0 HD2 PHE B 18 26.075 0.324 2.607 1.00 0.00 H new ATOM 0 HE1 PHE B 18 28.595 -2.960 5.342 1.00 0.00 H new ATOM 0 HE2 PHE B 18 25.101 -1.910 3.073 1.00 0.00 H new ATOM 0 HZ PHE B 18 26.362 -3.552 4.439 1.00 0.00 H new ATOM 882 N ARG B 19 29.721 3.917 4.307 1.00 0.00 N ATOM 883 CA ARG B 19 30.275 5.282 4.075 1.00 0.00 C ATOM 884 C ARG B 19 31.760 5.307 4.443 1.00 0.00 C ATOM 885 O ARG B 19 32.606 5.631 3.634 1.00 0.00 O ATOM 886 CB ARG B 19 29.476 6.200 5.002 1.00 0.00 C ATOM 887 CG ARG B 19 29.923 7.649 4.797 1.00 0.00 C ATOM 888 CD ARG B 19 29.529 8.112 3.392 1.00 0.00 C ATOM 889 NE ARG B 19 30.196 9.432 3.222 1.00 0.00 N ATOM 890 CZ ARG B 19 30.336 9.944 2.030 1.00 0.00 C ATOM 891 NH1 ARG B 19 31.012 9.300 1.119 1.00 0.00 N ATOM 892 NH2 ARG B 19 29.799 11.100 1.749 1.00 0.00 N ATOM 0 H ARG B 19 28.815 3.887 4.774 1.00 0.00 H new ATOM 0 HA ARG B 19 30.195 5.593 3.033 1.00 0.00 H new ATOM 0 HB2 ARG B 19 28.410 6.105 4.795 1.00 0.00 H new ATOM 0 HB3 ARG B 19 29.627 5.906 6.041 1.00 0.00 H new ATOM 0 HG2 ARG B 19 29.461 8.292 5.546 1.00 0.00 H new ATOM 0 HG3 ARG B 19 31.002 7.730 4.929 1.00 0.00 H new ATOM 0 HD2 ARG B 19 29.860 7.402 2.635 1.00 0.00 H new ATOM 0 HD3 ARG B 19 28.447 8.201 3.294 1.00 0.00 H new ATOM 0 HE ARG B 19 30.544 9.936 4.038 1.00 0.00 H new ATOM 0 HH11 ARG B 19 31.431 8.396 1.339 1.00 0.00 H new ATOM 0 HH12 ARG B 19 31.122 9.700 0.187 1.00 0.00 H new ATOM 0 HH21 ARG B 19 29.270 11.603 2.461 1.00 0.00 H new ATOM 0 HH22 ARG B 19 29.908 11.500 0.817 1.00 0.00 H new ATOM 906 N GLU B 20 32.083 4.955 5.658 1.00 0.00 N ATOM 907 CA GLU B 20 33.514 4.948 6.075 1.00 0.00 C ATOM 908 C GLU B 20 34.331 4.098 5.099 1.00 0.00 C ATOM 909 O GLU B 20 35.425 4.458 4.711 1.00 0.00 O ATOM 910 CB GLU B 20 33.518 4.320 7.469 1.00 0.00 C ATOM 911 CG GLU B 20 34.841 4.635 8.170 1.00 0.00 C ATOM 912 CD GLU B 20 34.562 5.108 9.598 1.00 0.00 C ATOM 913 OE1 GLU B 20 33.457 5.565 9.844 1.00 0.00 O ATOM 914 OE2 GLU B 20 35.457 5.006 10.420 1.00 0.00 O ATOM 0 H GLU B 20 31.419 4.672 6.379 1.00 0.00 H new ATOM 0 HA GLU B 20 33.954 5.945 6.081 1.00 0.00 H new ATOM 0 HB2 GLU B 20 32.684 4.705 8.055 1.00 0.00 H new ATOM 0 HB3 GLU B 20 33.383 3.241 7.393 1.00 0.00 H new ATOM 0 HG2 GLU B 20 35.476 3.749 8.187 1.00 0.00 H new ATOM 0 HG3 GLU B 20 35.382 5.405 7.620 1.00 0.00 H new ATOM 921 N ARG B 21 33.801 2.976 4.694 1.00 0.00 N ATOM 922 CA ARG B 21 34.540 2.105 3.737 1.00 0.00 C ATOM 923 C ARG B 21 34.721 2.834 2.404 1.00 0.00 C ATOM 924 O ARG B 21 35.802 2.880 1.852 1.00 0.00 O ATOM 925 CB ARG B 21 33.654 0.872 3.559 1.00 0.00 C ATOM 926 CG ARG B 21 34.433 -0.382 3.960 1.00 0.00 C ATOM 927 CD ARG B 21 33.616 -1.188 4.973 1.00 0.00 C ATOM 928 NE ARG B 21 33.986 -0.625 6.301 1.00 0.00 N ATOM 929 CZ ARG B 21 34.392 -1.417 7.255 1.00 0.00 C ATOM 930 NH1 ARG B 21 35.492 -2.103 7.110 1.00 0.00 N ATOM 931 NH2 ARG B 21 33.697 -1.524 8.354 1.00 0.00 N ATOM 0 H ARG B 21 32.888 2.625 4.985 1.00 0.00 H new ATOM 0 HA ARG B 21 35.535 1.841 4.096 1.00 0.00 H new ATOM 0 HB2 ARG B 21 32.756 0.966 4.170 1.00 0.00 H new ATOM 0 HB3 ARG B 21 33.327 0.793 2.522 1.00 0.00 H new ATOM 0 HG2 ARG B 21 34.643 -0.990 3.080 1.00 0.00 H new ATOM 0 HG3 ARG B 21 35.394 -0.103 4.391 1.00 0.00 H new ATOM 0 HD2 ARG B 21 32.547 -1.089 4.786 1.00 0.00 H new ATOM 0 HD3 ARG B 21 33.852 -2.250 4.915 1.00 0.00 H new ATOM 0 HE ARG B 21 33.922 0.380 6.465 1.00 0.00 H new ATOM 0 HH11 ARG B 21 36.035 -2.020 6.251 1.00 0.00 H new ATOM 0 HH12 ARG B 21 35.809 -2.722 7.856 1.00 0.00 H new ATOM 0 HH21 ARG B 21 32.836 -0.989 8.467 1.00 0.00 H new ATOM 0 HH22 ARG B 21 34.014 -2.143 9.100 1.00 0.00 H new ATOM 945 N ASN B 22 33.669 3.410 1.887 1.00 0.00 N ATOM 946 CA ASN B 22 33.781 4.142 0.593 1.00 0.00 C ATOM 947 C ASN B 22 35.055 4.989 0.586 1.00 0.00 C ATOM 948 O ASN B 22 35.857 4.914 -0.324 1.00 0.00 O ATOM 949 CB ASN B 22 32.541 5.034 0.534 1.00 0.00 C ATOM 950 CG ASN B 22 32.430 5.664 -0.856 1.00 0.00 C ATOM 951 OD1 ASN B 22 33.028 6.689 -1.120 1.00 0.00 O ATOM 952 ND2 ASN B 22 31.685 5.092 -1.761 1.00 0.00 N ATOM 0 H ASN B 22 32.738 3.405 2.304 1.00 0.00 H new ATOM 0 HA ASN B 22 33.837 3.471 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN B 22 31.648 4.448 0.752 1.00 0.00 H new ATOM 0 HB3 ASN B 22 32.604 5.813 1.294 1.00 0.00 H new ATOM 0 HD21 ASN B 22 31.604 5.505 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN B 22 31.183 4.232 -1.539 1.00 0.00 H new ATOM 959 N GLU B 23 35.251 5.788 1.598 1.00 0.00 N ATOM 960 CA GLU B 23 36.478 6.631 1.653 1.00 0.00 C ATOM 961 C GLU B 23 37.718 5.738 1.584 1.00 0.00 C ATOM 962 O GLU B 23 38.611 5.957 0.790 1.00 0.00 O ATOM 963 CB GLU B 23 36.407 7.352 3.000 1.00 0.00 C ATOM 964 CG GLU B 23 37.232 8.639 2.935 1.00 0.00 C ATOM 965 CD GLU B 23 38.643 8.368 3.459 1.00 0.00 C ATOM 966 OE1 GLU B 23 38.990 7.207 3.598 1.00 0.00 O ATOM 967 OE2 GLU B 23 39.353 9.327 3.713 1.00 0.00 O ATOM 0 H GLU B 23 34.615 5.894 2.389 1.00 0.00 H new ATOM 0 HA GLU B 23 36.540 7.335 0.824 1.00 0.00 H new ATOM 0 HB2 GLU B 23 35.371 7.584 3.246 1.00 0.00 H new ATOM 0 HB3 GLU B 23 36.785 6.705 3.791 1.00 0.00 H new ATOM 0 HG2 GLU B 23 37.278 9.003 1.909 1.00 0.00 H new ATOM 0 HG3 GLU B 23 36.756 9.419 3.529 1.00 0.00 H new ATOM 974 N ALA B 24 37.774 4.725 2.407 1.00 0.00 N ATOM 975 CA ALA B 24 38.950 3.811 2.383 1.00 0.00 C ATOM 976 C ALA B 24 39.116 3.220 0.982 1.00 0.00 C ATOM 977 O ALA B 24 40.176 3.283 0.391 1.00 0.00 O ATOM 978 CB ALA B 24 38.622 2.714 3.395 1.00 0.00 C ATOM 0 H ALA B 24 37.057 4.492 3.094 1.00 0.00 H new ATOM 0 HA ALA B 24 39.881 4.321 2.630 1.00 0.00 H new ATOM 0 HB1 ALA B 24 39.443 1.999 3.435 1.00 0.00 H new ATOM 0 HB2 ALA B 24 38.479 3.158 4.380 1.00 0.00 H new ATOM 0 HB3 ALA B 24 37.709 2.201 3.093 1.00 0.00 H new ATOM 984 N LEU B 25 38.072 2.653 0.441 1.00 0.00 N ATOM 985 CA LEU B 25 38.169 2.067 -0.926 1.00 0.00 C ATOM 986 C LEU B 25 38.591 3.150 -1.921 1.00 0.00 C ATOM 987 O LEU B 25 39.326 2.898 -2.855 1.00 0.00 O ATOM 988 CB LEU B 25 36.761 1.562 -1.244 1.00 0.00 C ATOM 989 CG LEU B 25 36.677 0.064 -0.947 1.00 0.00 C ATOM 990 CD1 LEU B 25 37.771 -0.673 -1.722 1.00 0.00 C ATOM 991 CD2 LEU B 25 36.871 -0.170 0.552 1.00 0.00 C ATOM 0 H LEU B 25 37.158 2.570 0.886 1.00 0.00 H new ATOM 0 HA LEU B 25 38.906 1.267 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU B 25 36.026 2.103 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU B 25 36.524 1.750 -2.291 1.00 0.00 H new ATOM 0 HG LEU B 25 35.700 -0.312 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 25 37.711 -1.741 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU B 25 37.635 -0.507 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU B 25 38.748 -0.297 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU B 25 36.811 -1.237 0.764 1.00 0.00 H new ATOM 0 HD22 LEU B 25 37.848 0.206 0.856 1.00 0.00 H new ATOM 0 HD23 LEU B 25 36.092 0.354 1.106 1.00 0.00 H new ATOM 1003 N GLU B 26 38.139 4.358 -1.723 1.00 0.00 N ATOM 1004 CA GLU B 26 38.524 5.457 -2.652 1.00 0.00 C ATOM 1005 C GLU B 26 40.047 5.505 -2.784 1.00 0.00 C ATOM 1006 O GLU B 26 40.585 5.617 -3.867 1.00 0.00 O ATOM 1007 CB GLU B 26 38.000 6.734 -1.994 1.00 0.00 C ATOM 1008 CG GLU B 26 37.993 7.871 -3.019 1.00 0.00 C ATOM 1009 CD GLU B 26 36.549 8.261 -3.337 1.00 0.00 C ATOM 1010 OE1 GLU B 26 35.703 8.075 -2.478 1.00 0.00 O ATOM 1011 OE2 GLU B 26 36.314 8.739 -4.435 1.00 0.00 O ATOM 0 H GLU B 26 37.521 4.631 -0.959 1.00 0.00 H new ATOM 0 HA GLU B 26 38.115 5.324 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU B 26 36.993 6.571 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU B 26 38.627 7.001 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU B 26 38.536 8.731 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU B 26 38.505 7.558 -3.929 1.00 0.00 H new ATOM 1018 N LEU B 27 40.745 5.409 -1.685 1.00 0.00 N ATOM 1019 CA LEU B 27 42.233 5.437 -1.740 1.00 0.00 C ATOM 1020 C LEU B 27 42.759 4.086 -2.232 1.00 0.00 C ATOM 1021 O LEU B 27 43.806 4.000 -2.842 1.00 0.00 O ATOM 1022 CB LEU B 27 42.677 5.695 -0.299 1.00 0.00 C ATOM 1023 CG LEU B 27 44.155 6.088 -0.281 1.00 0.00 C ATOM 1024 CD1 LEU B 27 44.297 7.561 -0.667 1.00 0.00 C ATOM 1025 CD2 LEU B 27 44.723 5.873 1.124 1.00 0.00 C ATOM 0 H LEU B 27 40.348 5.312 -0.751 1.00 0.00 H new ATOM 0 HA LEU B 27 42.612 6.197 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU B 27 42.074 6.489 0.142 1.00 0.00 H new ATOM 0 HB3 LEU B 27 42.520 4.802 0.306 1.00 0.00 H new ATOM 0 HG LEU B 27 44.703 5.471 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU B 27 45.350 7.841 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU B 27 43.893 7.716 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU B 27 43.749 8.178 0.045 1.00 0.00 H new ATOM 0 HD21 LEU B 27 45.776 6.153 1.137 1.00 0.00 H new ATOM 0 HD22 LEU B 27 44.175 6.489 1.836 1.00 0.00 H new ATOM 0 HD23 LEU B 27 44.623 4.823 1.400 1.00 0.00 H new ATOM 1037 N LYS B 28 42.033 3.032 -1.975 1.00 0.00 N ATOM 1038 CA LYS B 28 42.481 1.684 -2.430 1.00 0.00 C ATOM 1039 C LYS B 28 42.685 1.687 -3.948 1.00 0.00 C ATOM 1040 O LYS B 28 43.772 1.455 -4.438 1.00 0.00 O ATOM 1041 CB LYS B 28 41.342 0.738 -2.023 1.00 0.00 C ATOM 1042 CG LYS B 28 41.350 -0.520 -2.901 1.00 0.00 C ATOM 1043 CD LYS B 28 42.786 -1.022 -3.075 1.00 0.00 C ATOM 1044 CE LYS B 28 42.843 -2.520 -2.761 1.00 0.00 C ATOM 1045 NZ LYS B 28 44.199 -2.742 -2.187 1.00 0.00 N ATOM 0 H LYS B 28 41.148 3.046 -1.469 1.00 0.00 H new ATOM 0 HA LYS B 28 43.431 1.381 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS B 28 41.450 0.458 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS B 28 40.384 1.250 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS B 28 40.736 -1.297 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.912 -0.298 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS B 28 43.126 -0.840 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS B 28 43.457 -0.475 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS B 28 42.064 -2.805 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS B 28 42.692 -3.118 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 44.314 -3.747 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 44.920 -2.468 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 44.311 -2.166 -1.329 1.00 0.00 H new ATOM 1059 N ASP B 29 41.649 1.955 -4.695 1.00 0.00 N ATOM 1060 CA ASP B 29 41.787 1.977 -6.180 1.00 0.00 C ATOM 1061 C ASP B 29 42.563 3.223 -6.616 1.00 0.00 C ATOM 1062 O ASP B 29 43.206 3.238 -7.647 1.00 0.00 O ATOM 1063 CB ASP B 29 40.354 2.025 -6.710 1.00 0.00 C ATOM 1064 CG ASP B 29 40.040 0.724 -7.451 1.00 0.00 C ATOM 1065 OD1 ASP B 29 40.891 0.271 -8.198 1.00 0.00 O ATOM 1066 OD2 ASP B 29 38.954 0.203 -7.258 1.00 0.00 O ATOM 0 H ASP B 29 40.714 2.159 -4.342 1.00 0.00 H new ATOM 0 HA ASP B 29 42.332 1.112 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP B 29 39.655 2.164 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP B 29 40.231 2.876 -7.380 1.00 0.00 H new ATOM 1071 N ALA B 30 42.508 4.268 -5.836 1.00 0.00 N ATOM 1072 CA ALA B 30 43.243 5.513 -6.203 1.00 0.00 C ATOM 1073 C ALA B 30 44.725 5.376 -5.844 1.00 0.00 C ATOM 1074 O ALA B 30 45.520 6.259 -6.099 1.00 0.00 O ATOM 1075 CB ALA B 30 42.590 6.617 -5.372 1.00 0.00 C ATOM 0 H ALA B 30 41.986 4.314 -4.961 1.00 0.00 H new ATOM 0 HA ALA B 30 43.193 5.723 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA B 30 43.076 7.569 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA B 30 41.532 6.685 -5.625 1.00 0.00 H new ATOM 0 HB3 ALA B 30 42.695 6.385 -4.312 1.00 0.00 H new ATOM 1081 N GLN B 31 45.102 4.274 -5.255 1.00 0.00 N ATOM 1082 CA GLN B 31 46.533 4.082 -4.881 1.00 0.00 C ATOM 1083 C GLN B 31 47.348 3.664 -6.107 1.00 0.00 C ATOM 1084 O GLN B 31 48.194 4.395 -6.581 1.00 0.00 O ATOM 1085 CB GLN B 31 46.523 2.965 -3.837 1.00 0.00 C ATOM 1086 CG GLN B 31 46.775 3.558 -2.450 1.00 0.00 C ATOM 1087 CD GLN B 31 47.295 2.466 -1.513 1.00 0.00 C ATOM 1088 OE1 GLN B 31 46.635 2.103 -0.559 1.00 0.00 O ATOM 1089 NE2 GLN B 31 48.459 1.924 -1.745 1.00 0.00 N ATOM 0 H GLN B 31 44.483 3.499 -5.017 1.00 0.00 H new ATOM 0 HA GLN B 31 46.986 4.996 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN B 31 45.564 2.447 -3.853 1.00 0.00 H new ATOM 0 HB3 GLN B 31 47.289 2.226 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN B 31 47.499 4.370 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN B 31 45.854 3.984 -2.053 1.00 0.00 H new ATOM 0 HE21 GLN B 31 49.013 2.229 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN B 31 48.815 1.196 -1.126 1.00 0.00 H new