USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 556 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= -0.0456 K(o=-0.046,f=-1) USER MOD Set 1.2: B 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 8 GLN : amide:sc= -0.0979 K(o=-0.098,f=-1.1) USER MOD Single : A 1 ASP N :NH3+ 172:sc= 0 (180deg=-0.0727) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.59) USER MOD Single : A 22 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.37) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.53) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ 172:sc=-0.000718 (180deg=-0.0756) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.43) USER MOD Single : B 22 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.69) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.56) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 47.175 9.375 10.693 1.00 0.00 N ATOM 2 CA ASP A 1 46.497 8.133 10.222 1.00 0.00 C ATOM 3 C ASP A 1 45.014 8.162 10.602 1.00 0.00 C ATOM 4 O ASP A 1 44.435 7.154 10.956 1.00 0.00 O ATOM 5 CB ASP A 1 47.214 6.991 10.943 1.00 0.00 C ATOM 6 CG ASP A 1 48.334 6.449 10.053 1.00 0.00 C ATOM 7 OD1 ASP A 1 48.981 7.249 9.397 1.00 0.00 O ATOM 8 OD2 ASP A 1 48.525 5.244 10.042 1.00 0.00 O ATOM 0 H1 ASP A 1 48.201 9.285 10.551 1.00 0.00 H new ATOM 0 H2 ASP A 1 46.821 10.190 10.153 1.00 0.00 H new ATOM 0 H3 ASP A 1 46.976 9.517 11.704 1.00 0.00 H new ATOM 0 HA ASP A 1 46.544 8.023 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 1 47.625 7.345 11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 1 46.507 6.196 11.181 1.00 0.00 H new ATOM 15 N GLY A 2 44.396 9.309 10.531 1.00 0.00 N ATOM 16 CA GLY A 2 42.952 9.401 10.887 1.00 0.00 C ATOM 17 C GLY A 2 42.166 9.944 9.693 1.00 0.00 C ATOM 18 O GLY A 2 42.526 10.945 9.104 1.00 0.00 O ATOM 0 H GLY A 2 44.829 10.186 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 2 42.573 8.419 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 2 42.820 10.054 11.750 1.00 0.00 H new ATOM 22 N GLU A 3 41.095 9.294 9.330 1.00 0.00 N ATOM 23 CA GLU A 3 40.288 9.775 8.173 1.00 0.00 C ATOM 24 C GLU A 3 39.073 8.868 7.960 1.00 0.00 C ATOM 25 O GLU A 3 38.845 7.935 8.704 1.00 0.00 O ATOM 26 CB GLU A 3 41.230 9.699 6.971 1.00 0.00 C ATOM 27 CG GLU A 3 40.852 10.780 5.957 1.00 0.00 C ATOM 28 CD GLU A 3 42.120 11.469 5.449 1.00 0.00 C ATOM 29 OE1 GLU A 3 42.970 11.780 6.268 1.00 0.00 O ATOM 30 OE2 GLU A 3 42.219 11.675 4.251 1.00 0.00 O ATOM 0 H GLU A 3 40.744 8.451 9.784 1.00 0.00 H new ATOM 0 HA GLU A 3 39.907 10.784 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 3 42.262 9.834 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 3 41.168 8.714 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 3 40.307 10.337 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 3 40.188 11.511 6.419 1.00 0.00 H new ATOM 37 N TYR A 4 38.293 9.135 6.950 1.00 0.00 N ATOM 38 CA TYR A 4 37.093 8.289 6.689 1.00 0.00 C ATOM 39 C TYR A 4 36.880 8.124 5.182 1.00 0.00 C ATOM 40 O TYR A 4 37.603 8.679 4.379 1.00 0.00 O ATOM 41 CB TYR A 4 35.927 9.054 7.315 1.00 0.00 C ATOM 42 CG TYR A 4 35.873 10.447 6.736 1.00 0.00 C ATOM 43 CD1 TYR A 4 36.696 11.454 7.254 1.00 0.00 C ATOM 44 CD2 TYR A 4 34.999 10.731 5.679 1.00 0.00 C ATOM 45 CE1 TYR A 4 36.645 12.746 6.715 1.00 0.00 C ATOM 46 CE2 TYR A 4 34.948 12.022 5.141 1.00 0.00 C ATOM 47 CZ TYR A 4 35.771 13.029 5.658 1.00 0.00 C ATOM 48 OH TYR A 4 35.721 14.302 5.127 1.00 0.00 O ATOM 0 H TYR A 4 38.434 9.903 6.293 1.00 0.00 H new ATOM 0 HA TYR A 4 37.194 7.287 7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 4 34.990 8.532 7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.049 9.102 8.397 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.370 11.235 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.365 9.954 5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 4 37.279 13.523 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.273 12.241 4.327 1.00 0.00 H new ATOM 0 HH TYR A 4 35.064 14.328 4.401 1.00 0.00 H new ATOM 58 N PHE A 5 35.891 7.367 4.793 1.00 0.00 N ATOM 59 CA PHE A 5 35.631 7.168 3.337 1.00 0.00 C ATOM 60 C PHE A 5 34.166 7.478 3.016 1.00 0.00 C ATOM 61 O PHE A 5 33.281 7.231 3.811 1.00 0.00 O ATOM 62 CB PHE A 5 35.937 5.693 3.077 1.00 0.00 C ATOM 63 CG PHE A 5 37.415 5.445 3.259 1.00 0.00 C ATOM 64 CD1 PHE A 5 37.949 5.306 4.546 1.00 0.00 C ATOM 65 CD2 PHE A 5 38.253 5.354 2.140 1.00 0.00 C ATOM 66 CE1 PHE A 5 39.320 5.076 4.714 1.00 0.00 C ATOM 67 CE2 PHE A 5 39.624 5.125 2.309 1.00 0.00 C ATOM 68 CZ PHE A 5 40.157 4.986 3.596 1.00 0.00 C ATOM 0 H PHE A 5 35.252 6.878 5.419 1.00 0.00 H new ATOM 0 HA PHE A 5 36.239 7.825 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 5 35.365 5.066 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 5 35.634 5.420 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 5 37.303 5.376 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 5 37.842 5.460 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 5 39.732 4.968 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 5 40.270 5.056 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 5 41.214 4.809 3.726 1.00 0.00 H new ATOM 78 N THR A 6 33.903 8.016 1.857 1.00 0.00 N ATOM 79 CA THR A 6 32.495 8.340 1.488 1.00 0.00 C ATOM 80 C THR A 6 32.123 7.655 0.170 1.00 0.00 C ATOM 81 O THR A 6 32.900 7.619 -0.763 1.00 0.00 O ATOM 82 CB THR A 6 32.465 9.861 1.328 1.00 0.00 C ATOM 83 OG1 THR A 6 31.232 10.249 0.738 1.00 0.00 O ATOM 84 CG2 THR A 6 33.623 10.305 0.434 1.00 0.00 C ATOM 0 H THR A 6 34.601 8.245 1.150 1.00 0.00 H new ATOM 0 HA THR A 6 31.783 7.996 2.238 1.00 0.00 H new ATOM 0 HB THR A 6 32.564 10.332 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 6 31.210 11.223 0.636 1.00 0.00 H new ATOM 0 HG21 THR A 6 33.600 11.389 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 6 34.568 10.007 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 6 33.527 9.836 -0.545 1.00 0.00 H new ATOM 92 N LEU A 7 30.940 7.111 0.087 1.00 0.00 N ATOM 93 CA LEU A 7 30.520 6.429 -1.171 1.00 0.00 C ATOM 94 C LEU A 7 29.131 6.911 -1.597 1.00 0.00 C ATOM 95 O LEU A 7 28.203 6.931 -0.813 1.00 0.00 O ATOM 96 CB LEU A 7 30.488 4.940 -0.824 1.00 0.00 C ATOM 97 CG LEU A 7 31.388 4.170 -1.792 1.00 0.00 C ATOM 98 CD1 LEU A 7 31.290 2.672 -1.499 1.00 0.00 C ATOM 99 CD2 LEU A 7 30.936 4.439 -3.229 1.00 0.00 C ATOM 0 H LEU A 7 30.246 7.109 0.835 1.00 0.00 H new ATOM 0 HA LEU A 7 31.196 6.640 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 7 30.825 4.788 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 7 29.467 4.564 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 7 32.420 4.497 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 7 31.931 2.124 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 7 31.610 2.480 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 7 30.258 2.344 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 7 31.576 3.891 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 7 29.904 4.111 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 7 31.006 5.506 -3.439 1.00 0.00 H new ATOM 111 N GLN A 8 28.982 7.298 -2.833 1.00 0.00 N ATOM 112 CA GLN A 8 27.652 7.778 -3.309 1.00 0.00 C ATOM 113 C GLN A 8 27.170 6.915 -4.478 1.00 0.00 C ATOM 114 O GLN A 8 27.920 6.601 -5.381 1.00 0.00 O ATOM 115 CB GLN A 8 27.890 9.218 -3.767 1.00 0.00 C ATOM 116 CG GLN A 8 28.739 9.953 -2.727 1.00 0.00 C ATOM 117 CD GLN A 8 28.286 11.412 -2.636 1.00 0.00 C ATOM 118 OE1 GLN A 8 27.722 11.945 -3.571 1.00 0.00 O ATOM 119 NE2 GLN A 8 28.512 12.085 -1.541 1.00 0.00 N ATOM 0 H GLN A 8 29.722 7.303 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 8 26.889 7.720 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 8 28.394 9.224 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 8 26.937 9.730 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 8 28.641 9.470 -1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 8 29.793 9.905 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 8 28.985 11.638 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 8 28.215 13.058 -1.470 1.00 0.00 H new ATOM 128 N ILE A 9 25.924 6.527 -4.468 1.00 0.00 N ATOM 129 CA ILE A 9 25.398 5.682 -5.579 1.00 0.00 C ATOM 130 C ILE A 9 24.080 6.256 -6.105 1.00 0.00 C ATOM 131 O ILE A 9 23.516 7.168 -5.534 1.00 0.00 O ATOM 132 CB ILE A 9 25.171 4.306 -4.956 1.00 0.00 C ATOM 133 CG1 ILE A 9 26.514 3.713 -4.524 1.00 0.00 C ATOM 134 CG2 ILE A 9 24.513 3.382 -5.982 1.00 0.00 C ATOM 135 CD1 ILE A 9 26.442 3.306 -3.052 1.00 0.00 C ATOM 0 H ILE A 9 25.248 6.758 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 9 26.085 5.640 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 9 24.521 4.405 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 26.756 2.847 -5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 9 27.310 4.443 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 9 24.351 2.400 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.556 3.803 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 9 25.162 3.283 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 9 27.398 2.884 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 9 26.219 4.182 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 9 25.657 2.562 -2.918 1.00 0.00 H new ATOM 147 N ARG A 10 23.584 5.726 -7.190 1.00 0.00 N ATOM 148 CA ARG A 10 22.302 6.238 -7.755 1.00 0.00 C ATOM 149 C ARG A 10 21.294 5.094 -7.898 1.00 0.00 C ATOM 150 O ARG A 10 21.156 4.505 -8.952 1.00 0.00 O ATOM 151 CB ARG A 10 22.671 6.802 -9.127 1.00 0.00 C ATOM 152 CG ARG A 10 21.784 8.008 -9.440 1.00 0.00 C ATOM 153 CD ARG A 10 21.600 8.130 -10.954 1.00 0.00 C ATOM 154 NE ARG A 10 21.233 9.554 -11.183 1.00 0.00 N ATOM 155 CZ ARG A 10 21.436 10.101 -12.350 1.00 0.00 C ATOM 156 NH1 ARG A 10 20.594 9.891 -13.325 1.00 0.00 N ATOM 157 NH2 ARG A 10 22.482 10.858 -12.542 1.00 0.00 N ATOM 0 H ARG A 10 24.011 4.960 -7.710 1.00 0.00 H new ATOM 0 HA ARG A 10 21.840 6.991 -7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.720 7.096 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 10 22.545 6.036 -9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.815 7.896 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.236 8.917 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.515 7.868 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.820 7.459 -11.312 1.00 0.00 H new ATOM 0 HE ARG A 10 20.823 10.103 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.777 9.299 -13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.753 10.319 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 10 23.140 11.022 -11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.641 11.286 -13.454 1.00 0.00 H new ATOM 171 N GLY A 11 20.590 4.775 -6.846 1.00 0.00 N ATOM 172 CA GLY A 11 19.594 3.669 -6.924 1.00 0.00 C ATOM 173 C GLY A 11 19.473 2.992 -5.558 1.00 0.00 C ATOM 174 O GLY A 11 20.458 2.714 -4.903 1.00 0.00 O ATOM 0 H GLY A 11 20.661 5.232 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.625 4.060 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.901 2.942 -7.676 1.00 0.00 H new ATOM 178 N ARG A 12 18.272 2.724 -5.122 1.00 0.00 N ATOM 179 CA ARG A 12 18.088 2.065 -3.797 1.00 0.00 C ATOM 180 C ARG A 12 18.150 0.542 -3.948 1.00 0.00 C ATOM 181 O ARG A 12 18.244 -0.184 -2.979 1.00 0.00 O ATOM 182 CB ARG A 12 16.700 2.502 -3.328 1.00 0.00 C ATOM 183 CG ARG A 12 16.362 1.801 -2.011 1.00 0.00 C ATOM 184 CD ARG A 12 15.366 2.651 -1.219 1.00 0.00 C ATOM 185 NE ARG A 12 15.752 2.467 0.207 1.00 0.00 N ATOM 186 CZ ARG A 12 15.655 3.464 1.044 1.00 0.00 C ATOM 187 NH1 ARG A 12 14.494 4.014 1.271 1.00 0.00 N ATOM 188 NH2 ARG A 12 16.720 3.909 1.653 1.00 0.00 N ATOM 0 H ARG A 12 17.410 2.933 -5.626 1.00 0.00 H new ATOM 0 HA ARG A 12 18.866 2.344 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 12 16.674 3.583 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.955 2.256 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.938 0.816 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.269 1.646 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.422 3.700 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.341 2.325 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 12 16.092 1.561 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.662 3.665 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.418 4.793 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.627 3.478 1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.645 4.688 2.307 1.00 0.00 H new ATOM 202 N GLU A 13 18.094 0.054 -5.157 1.00 0.00 N ATOM 203 CA GLU A 13 18.146 -1.421 -5.370 1.00 0.00 C ATOM 204 C GLU A 13 19.481 -1.986 -4.875 1.00 0.00 C ATOM 205 O GLU A 13 19.521 -2.876 -4.048 1.00 0.00 O ATOM 206 CB GLU A 13 18.014 -1.606 -6.882 1.00 0.00 C ATOM 207 CG GLU A 13 16.534 -1.660 -7.265 1.00 0.00 C ATOM 208 CD GLU A 13 16.253 -2.949 -8.040 1.00 0.00 C ATOM 209 OE1 GLU A 13 16.850 -3.128 -9.089 1.00 0.00 O ATOM 210 OE2 GLU A 13 15.446 -3.735 -7.572 1.00 0.00 O ATOM 0 H GLU A 13 18.014 0.613 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 13 17.361 -1.943 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.505 -0.784 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.514 -2.524 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.914 -1.619 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.273 -0.794 -7.873 1.00 0.00 H new ATOM 217 N ARG A 14 20.574 -1.473 -5.369 1.00 0.00 N ATOM 218 CA ARG A 14 21.903 -1.974 -4.925 1.00 0.00 C ATOM 219 C ARG A 14 22.295 -1.294 -3.613 1.00 0.00 C ATOM 220 O ARG A 14 22.939 -1.876 -2.759 1.00 0.00 O ATOM 221 CB ARG A 14 22.870 -1.581 -6.044 1.00 0.00 C ATOM 222 CG ARG A 14 23.072 -0.064 -6.038 1.00 0.00 C ATOM 223 CD ARG A 14 23.654 0.379 -7.382 1.00 0.00 C ATOM 224 NE ARG A 14 22.579 1.191 -8.018 1.00 0.00 N ATOM 225 CZ ARG A 14 22.792 1.770 -9.168 1.00 0.00 C ATOM 226 NH1 ARG A 14 23.875 2.473 -9.354 1.00 0.00 N ATOM 227 NH2 ARG A 14 21.921 1.646 -10.132 1.00 0.00 N ATOM 0 H ARG A 14 20.603 -0.726 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 14 21.908 -3.049 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.826 -2.086 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.476 -1.902 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 14 22.122 0.439 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.743 0.221 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.563 0.965 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.918 -0.479 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 14 21.676 1.294 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.556 2.570 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.041 2.925 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.074 1.097 -9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.087 2.098 -11.031 1.00 0.00 H new ATOM 241 N PHE A 15 21.908 -0.059 -3.446 1.00 0.00 N ATOM 242 CA PHE A 15 22.257 0.661 -2.192 1.00 0.00 C ATOM 243 C PHE A 15 21.646 -0.056 -0.988 1.00 0.00 C ATOM 244 O PHE A 15 22.341 -0.438 -0.067 1.00 0.00 O ATOM 245 CB PHE A 15 21.658 2.058 -2.338 1.00 0.00 C ATOM 246 CG PHE A 15 21.727 2.756 -1.002 1.00 0.00 C ATOM 247 CD1 PHE A 15 22.965 3.163 -0.491 1.00 0.00 C ATOM 248 CD2 PHE A 15 20.557 2.986 -0.268 1.00 0.00 C ATOM 249 CE1 PHE A 15 23.034 3.800 0.753 1.00 0.00 C ATOM 250 CE2 PHE A 15 20.626 3.621 0.977 1.00 0.00 C ATOM 251 CZ PHE A 15 21.865 4.029 1.487 1.00 0.00 C ATOM 0 H PHE A 15 21.367 0.480 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 15 23.335 0.701 -2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.205 2.627 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 15 20.624 1.992 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.867 2.985 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.602 2.673 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.989 4.115 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 15 19.724 3.796 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 15 21.918 4.521 2.447 1.00 0.00 H new ATOM 261 N GLU A 16 20.352 -0.241 -0.984 1.00 0.00 N ATOM 262 CA GLU A 16 19.707 -0.935 0.167 1.00 0.00 C ATOM 263 C GLU A 16 20.546 -2.149 0.569 1.00 0.00 C ATOM 264 O GLU A 16 20.561 -2.557 1.717 1.00 0.00 O ATOM 265 CB GLU A 16 18.325 -1.363 -0.339 1.00 0.00 C ATOM 266 CG GLU A 16 18.466 -2.495 -1.359 1.00 0.00 C ATOM 267 CD GLU A 16 18.048 -3.818 -0.715 1.00 0.00 C ATOM 268 OE1 GLU A 16 18.831 -4.356 0.050 1.00 0.00 O ATOM 269 OE2 GLU A 16 16.951 -4.272 -0.999 1.00 0.00 O ATOM 0 H GLU A 16 19.717 0.057 -1.725 1.00 0.00 H new ATOM 0 HA GLU A 16 19.624 -0.298 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.709 -1.692 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.817 -0.513 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.846 -2.291 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.497 -2.558 -1.708 1.00 0.00 H new ATOM 276 N GLN A 17 21.265 -2.716 -0.365 1.00 0.00 N ATOM 277 CA GLN A 17 22.118 -3.890 -0.035 1.00 0.00 C ATOM 278 C GLN A 17 23.335 -3.426 0.764 1.00 0.00 C ATOM 279 O GLN A 17 23.682 -3.997 1.779 1.00 0.00 O ATOM 280 CB GLN A 17 22.543 -4.466 -1.387 1.00 0.00 C ATOM 281 CG GLN A 17 21.327 -4.540 -2.313 1.00 0.00 C ATOM 282 CD GLN A 17 21.366 -5.849 -3.104 1.00 0.00 C ATOM 283 OE1 GLN A 17 21.373 -5.838 -4.319 1.00 0.00 O ATOM 284 NE2 GLN A 17 21.390 -6.985 -2.462 1.00 0.00 N ATOM 0 H GLN A 17 21.297 -2.416 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 17 21.598 -4.633 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.317 -3.841 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 17 22.973 -5.459 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 17 20.408 -4.483 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 17 21.324 -3.690 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.384 -6.995 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.415 -7.863 -2.980 1.00 0.00 H new ATOM 293 N PHE A 18 23.981 -2.383 0.318 1.00 0.00 N ATOM 294 CA PHE A 18 25.170 -1.872 1.059 1.00 0.00 C ATOM 295 C PHE A 18 24.724 -1.221 2.372 1.00 0.00 C ATOM 296 O PHE A 18 25.309 -1.442 3.414 1.00 0.00 O ATOM 297 CB PHE A 18 25.806 -0.841 0.128 1.00 0.00 C ATOM 298 CG PHE A 18 26.455 -1.558 -1.031 1.00 0.00 C ATOM 299 CD1 PHE A 18 27.246 -2.688 -0.795 1.00 0.00 C ATOM 300 CD2 PHE A 18 26.264 -1.097 -2.338 1.00 0.00 C ATOM 301 CE1 PHE A 18 27.846 -3.358 -1.866 1.00 0.00 C ATOM 302 CE2 PHE A 18 26.865 -1.767 -3.411 1.00 0.00 C ATOM 303 CZ PHE A 18 27.656 -2.898 -3.174 1.00 0.00 C ATOM 0 H PHE A 18 23.738 -1.864 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 18 25.873 -2.664 1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.050 -0.145 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.547 -0.252 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.393 -3.043 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 18 25.653 -0.225 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.456 -4.230 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.719 -1.412 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 18 28.120 -3.415 -4.001 1.00 0.00 H new ATOM 313 N ARG A 19 23.688 -0.425 2.333 1.00 0.00 N ATOM 314 CA ARG A 19 23.205 0.229 3.583 1.00 0.00 C ATOM 315 C ARG A 19 23.058 -0.814 4.695 1.00 0.00 C ATOM 316 O ARG A 19 23.699 -0.732 5.725 1.00 0.00 O ATOM 317 CB ARG A 19 21.844 0.823 3.219 1.00 0.00 C ATOM 318 CG ARG A 19 21.204 1.438 4.465 1.00 0.00 C ATOM 319 CD ARG A 19 22.164 2.458 5.082 1.00 0.00 C ATOM 320 NE ARG A 19 21.308 3.317 5.946 1.00 0.00 N ATOM 321 CZ ARG A 19 20.776 4.406 5.463 1.00 0.00 C ATOM 322 NH1 ARG A 19 21.539 5.339 4.963 1.00 0.00 N ATOM 323 NH2 ARG A 19 19.481 4.562 5.481 1.00 0.00 N ATOM 0 H ARG A 19 23.157 -0.200 1.492 1.00 0.00 H new ATOM 0 HA ARG A 19 23.895 0.990 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.962 1.582 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.196 0.049 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.263 1.921 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.971 0.658 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.943 1.965 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.664 3.046 4.312 1.00 0.00 H new ATOM 0 HE ARG A 19 21.137 3.054 6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.552 5.217 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.123 6.190 4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.885 3.833 5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.065 5.413 5.104 1.00 0.00 H new ATOM 337 N GLU A 20 22.221 -1.799 4.493 1.00 0.00 N ATOM 338 CA GLU A 20 22.043 -2.845 5.541 1.00 0.00 C ATOM 339 C GLU A 20 23.401 -3.445 5.913 1.00 0.00 C ATOM 340 O GLU A 20 23.725 -3.605 7.074 1.00 0.00 O ATOM 341 CB GLU A 20 21.144 -3.902 4.899 1.00 0.00 C ATOM 342 CG GLU A 20 19.766 -3.873 5.565 1.00 0.00 C ATOM 343 CD GLU A 20 19.307 -5.304 5.852 1.00 0.00 C ATOM 344 OE1 GLU A 20 19.734 -6.197 5.139 1.00 0.00 O ATOM 345 OE2 GLU A 20 18.535 -5.483 6.780 1.00 0.00 O ATOM 0 H GLU A 20 21.657 -1.923 3.652 1.00 0.00 H new ATOM 0 HA GLU A 20 21.607 -2.447 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.047 -3.712 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.591 -4.890 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.810 -3.301 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.047 -3.373 4.916 1.00 0.00 H new ATOM 352 N ARG A 21 24.200 -3.774 4.935 1.00 0.00 N ATOM 353 CA ARG A 21 25.539 -4.357 5.232 1.00 0.00 C ATOM 354 C ARG A 21 26.400 -3.335 5.976 1.00 0.00 C ATOM 355 O ARG A 21 27.042 -3.650 6.959 1.00 0.00 O ATOM 356 CB ARG A 21 26.147 -4.677 3.867 1.00 0.00 C ATOM 357 CG ARG A 21 25.291 -5.727 3.159 1.00 0.00 C ATOM 358 CD ARG A 21 25.964 -7.096 3.277 1.00 0.00 C ATOM 359 NE ARG A 21 24.841 -8.071 3.352 1.00 0.00 N ATOM 360 CZ ARG A 21 25.048 -9.326 3.063 1.00 0.00 C ATOM 361 NH1 ARG A 21 25.491 -10.142 3.979 1.00 0.00 N ATOM 362 NH2 ARG A 21 24.811 -9.765 1.857 1.00 0.00 N ATOM 0 H ARG A 21 23.984 -3.664 3.944 1.00 0.00 H new ATOM 0 HA ARG A 21 25.474 -5.243 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 21 26.205 -3.772 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.166 -5.045 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 21 24.296 -5.760 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 21 25.164 -5.461 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 26.604 -7.297 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 21 26.595 -7.151 4.164 1.00 0.00 H new ATOM 0 HE ARG A 21 23.911 -7.758 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 21 25.676 -9.799 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 21 25.653 -11.123 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 21 24.464 -9.127 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 24.973 -10.746 1.631 1.00 0.00 H new ATOM 376 N ASN A 22 26.413 -2.112 5.519 1.00 0.00 N ATOM 377 CA ASN A 22 27.229 -1.071 6.206 1.00 0.00 C ATOM 378 C ASN A 22 27.057 -1.201 7.719 1.00 0.00 C ATOM 379 O ASN A 22 28.016 -1.314 8.457 1.00 0.00 O ATOM 380 CB ASN A 22 26.669 0.264 5.715 1.00 0.00 C ATOM 381 CG ASN A 22 27.296 1.405 6.517 1.00 0.00 C ATOM 382 OD1 ASN A 22 26.652 2.399 6.789 1.00 0.00 O ATOM 383 ND2 ASN A 22 28.537 1.305 6.910 1.00 0.00 N ATOM 0 H ASN A 22 25.895 -1.790 4.702 1.00 0.00 H new ATOM 0 HA ASN A 22 28.293 -1.164 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.882 0.392 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.585 0.279 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.965 2.061 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 22 29.078 0.471 6.682 1.00 0.00 H new ATOM 390 N GLU A 23 25.839 -1.201 8.187 1.00 0.00 N ATOM 391 CA GLU A 23 25.609 -1.340 9.652 1.00 0.00 C ATOM 392 C GLU A 23 26.254 -2.638 10.147 1.00 0.00 C ATOM 393 O GLU A 23 27.048 -2.640 11.071 1.00 0.00 O ATOM 394 CB GLU A 23 24.089 -1.394 9.811 1.00 0.00 C ATOM 395 CG GLU A 23 23.726 -1.296 11.294 1.00 0.00 C ATOM 396 CD GLU A 23 23.713 0.173 11.721 1.00 0.00 C ATOM 397 OE1 GLU A 23 24.484 0.938 11.165 1.00 0.00 O ATOM 398 OE2 GLU A 23 22.932 0.508 12.597 1.00 0.00 O ATOM 0 H GLU A 23 24.996 -1.111 7.620 1.00 0.00 H new ATOM 0 HA GLU A 23 26.042 -0.522 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.626 -0.577 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.702 -2.323 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.749 -1.746 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.446 -1.853 11.893 1.00 0.00 H new ATOM 405 N ALA A 24 25.930 -3.741 9.528 1.00 0.00 N ATOM 406 CA ALA A 24 26.534 -5.036 9.951 1.00 0.00 C ATOM 407 C ALA A 24 28.059 -4.937 9.881 1.00 0.00 C ATOM 408 O ALA A 24 28.760 -5.341 10.787 1.00 0.00 O ATOM 409 CB ALA A 24 26.014 -6.065 8.946 1.00 0.00 C ATOM 0 H ALA A 24 25.274 -3.801 8.749 1.00 0.00 H new ATOM 0 HA ALA A 24 26.273 -5.307 10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 24 26.416 -7.048 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 24 24.925 -6.097 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.330 -5.784 7.941 1.00 0.00 H new ATOM 415 N LEU A 25 28.576 -4.389 8.814 1.00 0.00 N ATOM 416 CA LEU A 25 30.054 -4.250 8.691 1.00 0.00 C ATOM 417 C LEU A 25 30.565 -3.258 9.736 1.00 0.00 C ATOM 418 O LEU A 25 31.596 -3.457 10.346 1.00 0.00 O ATOM 419 CB LEU A 25 30.287 -3.713 7.278 1.00 0.00 C ATOM 420 CG LEU A 25 31.027 -4.762 6.447 1.00 0.00 C ATOM 421 CD1 LEU A 25 32.387 -5.053 7.083 1.00 0.00 C ATOM 422 CD2 LEU A 25 30.201 -6.050 6.400 1.00 0.00 C ATOM 0 H LEU A 25 28.039 -4.032 8.024 1.00 0.00 H new ATOM 0 HA LEU A 25 30.579 -5.191 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 25 29.334 -3.469 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 25 30.867 -2.791 7.319 1.00 0.00 H new ATOM 0 HG LEU A 25 31.173 -4.385 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 25 32.913 -5.801 6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 32.976 -4.137 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 25 32.242 -5.429 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 30.728 -6.798 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.055 -6.426 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.232 -5.844 5.946 1.00 0.00 H new ATOM 434 N GLU A 26 29.844 -2.191 9.955 1.00 0.00 N ATOM 435 CA GLU A 26 30.285 -1.195 10.970 1.00 0.00 C ATOM 436 C GLU A 26 30.716 -1.921 12.245 1.00 0.00 C ATOM 437 O GLU A 26 31.784 -1.687 12.775 1.00 0.00 O ATOM 438 CB GLU A 26 29.057 -0.323 11.235 1.00 0.00 C ATOM 439 CG GLU A 26 29.448 1.153 11.144 1.00 0.00 C ATOM 440 CD GLU A 26 28.238 1.975 10.695 1.00 0.00 C ATOM 441 OE1 GLU A 26 27.722 1.698 9.625 1.00 0.00 O ATOM 442 OE2 GLU A 26 27.849 2.868 11.429 1.00 0.00 O ATOM 0 H GLU A 26 28.972 -1.968 9.476 1.00 0.00 H new ATOM 0 HA GLU A 26 31.133 -0.600 10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 26 28.275 -0.548 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 26 28.649 -0.542 12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 26 29.802 1.507 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 26 30.269 1.280 10.439 1.00 0.00 H new ATOM 449 N LEU A 27 29.894 -2.809 12.735 1.00 0.00 N ATOM 450 CA LEU A 27 30.262 -3.558 13.971 1.00 0.00 C ATOM 451 C LEU A 27 31.436 -4.497 13.680 1.00 0.00 C ATOM 452 O LEU A 27 32.327 -4.663 14.490 1.00 0.00 O ATOM 453 CB LEU A 27 29.012 -4.358 14.339 1.00 0.00 C ATOM 454 CG LEU A 27 29.266 -5.136 15.631 1.00 0.00 C ATOM 455 CD1 LEU A 27 28.455 -4.516 16.770 1.00 0.00 C ATOM 456 CD2 LEU A 27 28.842 -6.594 15.438 1.00 0.00 C ATOM 0 H LEU A 27 28.987 -3.048 12.335 1.00 0.00 H new ATOM 0 HA LEU A 27 30.572 -2.898 14.781 1.00 0.00 H new ATOM 0 HB2 LEU A 27 28.163 -3.687 14.467 1.00 0.00 H new ATOM 0 HB3 LEU A 27 28.757 -5.045 13.532 1.00 0.00 H new ATOM 0 HG LEU A 27 30.327 -5.094 15.878 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.637 -5.071 17.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 28.756 -3.477 16.907 1.00 0.00 H new ATOM 0 HD13 LEU A 27 27.394 -4.557 16.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 29.022 -7.150 16.358 1.00 0.00 H new ATOM 0 HD22 LEU A 27 27.781 -6.635 15.191 1.00 0.00 H new ATOM 0 HD23 LEU A 27 29.420 -7.037 14.627 1.00 0.00 H new ATOM 468 N LYS A 28 31.445 -5.111 12.527 1.00 0.00 N ATOM 469 CA LYS A 28 32.563 -6.035 12.182 1.00 0.00 C ATOM 470 C LYS A 28 33.908 -5.331 12.386 1.00 0.00 C ATOM 471 O LYS A 28 34.896 -5.946 12.735 1.00 0.00 O ATOM 472 CB LYS A 28 32.349 -6.380 10.705 1.00 0.00 C ATOM 473 CG LYS A 28 33.641 -6.946 10.112 1.00 0.00 C ATOM 474 CD LYS A 28 34.048 -8.206 10.878 1.00 0.00 C ATOM 475 CE LYS A 28 32.977 -9.283 10.697 1.00 0.00 C ATOM 476 NZ LYS A 28 33.383 -10.386 11.612 1.00 0.00 N ATOM 0 H LYS A 28 30.727 -5.012 11.810 1.00 0.00 H new ATOM 0 HA LYS A 28 32.575 -6.927 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 28 31.543 -7.107 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 28 32.045 -5.490 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 33.497 -7.180 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 28 34.435 -6.202 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.009 -8.570 10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 28 34.173 -7.976 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 31.988 -8.903 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 32.931 -9.624 9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 32.696 -11.164 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.326 -10.732 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 33.411 -10.033 12.590 1.00 0.00 H new ATOM 490 N ASP A 29 33.951 -4.044 12.174 1.00 0.00 N ATOM 491 CA ASP A 29 35.229 -3.299 12.359 1.00 0.00 C ATOM 492 C ASP A 29 35.435 -2.960 13.838 1.00 0.00 C ATOM 493 O ASP A 29 36.522 -3.079 14.367 1.00 0.00 O ATOM 494 CB ASP A 29 35.066 -2.021 11.535 1.00 0.00 C ATOM 495 CG ASP A 29 35.668 -2.229 10.144 1.00 0.00 C ATOM 496 OD1 ASP A 29 35.519 -3.317 9.612 1.00 0.00 O ATOM 497 OD2 ASP A 29 36.269 -1.298 9.635 1.00 0.00 O ATOM 0 H ASP A 29 33.156 -3.476 11.881 1.00 0.00 H new ATOM 0 HA ASP A 29 36.095 -3.881 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 29 34.010 -1.762 11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 29 35.560 -1.188 12.035 1.00 0.00 H new ATOM 502 N ALA A 30 34.397 -2.537 14.508 1.00 0.00 N ATOM 503 CA ALA A 30 34.531 -2.188 15.951 1.00 0.00 C ATOM 504 C ALA A 30 35.148 -3.356 16.726 1.00 0.00 C ATOM 505 O ALA A 30 35.688 -3.183 17.800 1.00 0.00 O ATOM 506 CB ALA A 30 33.103 -1.923 16.428 1.00 0.00 C ATOM 0 H ALA A 30 33.462 -2.418 14.118 1.00 0.00 H new ATOM 0 HA ALA A 30 35.181 -1.327 16.108 1.00 0.00 H new ATOM 0 HB1 ALA A 30 33.116 -1.659 17.485 1.00 0.00 H new ATOM 0 HB2 ALA A 30 32.674 -1.102 15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 30 32.500 -2.819 16.285 1.00 0.00 H new ATOM 512 N GLN A 31 35.070 -4.543 16.191 1.00 0.00 N ATOM 513 CA GLN A 31 35.652 -5.718 16.900 1.00 0.00 C ATOM 514 C GLN A 31 36.910 -6.206 16.177 1.00 0.00 C ATOM 515 O GLN A 31 37.275 -7.362 16.256 1.00 0.00 O ATOM 516 CB GLN A 31 34.560 -6.787 16.857 1.00 0.00 C ATOM 517 CG GLN A 31 33.439 -6.412 17.829 1.00 0.00 C ATOM 518 CD GLN A 31 32.263 -7.373 17.648 1.00 0.00 C ATOM 519 OE1 GLN A 31 32.455 -8.555 17.441 1.00 0.00 O ATOM 520 NE2 GLN A 31 31.044 -6.914 17.719 1.00 0.00 N ATOM 0 H GLN A 31 34.629 -4.750 15.295 1.00 0.00 H new ATOM 0 HA GLN A 31 35.948 -5.478 17.921 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.164 -6.877 15.846 1.00 0.00 H new ATOM 0 HB3 GLN A 31 34.977 -7.758 17.123 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.803 -6.456 18.855 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.115 -5.387 17.649 1.00 0.00 H new ATOM 0 HE21 GLN A 31 30.882 -5.922 17.893 1.00 0.00 H new ATOM 0 HE22 GLN A 31 30.253 -7.547 17.601 1.00 0.00 H new ATOM 529 N ALA A 32 37.578 -5.332 15.474 1.00 0.00 N ATOM 530 CA ALA A 32 38.813 -5.746 14.748 1.00 0.00 C ATOM 531 C ALA A 32 38.505 -6.901 13.792 1.00 0.00 C ATOM 532 O ALA A 32 39.184 -7.909 13.780 1.00 0.00 O ATOM 533 CB ALA A 32 39.781 -6.199 15.842 1.00 0.00 C ATOM 0 H ALA A 32 37.322 -4.350 15.371 1.00 0.00 H new ATOM 0 HA ALA A 32 39.227 -4.938 14.145 1.00 0.00 H new ATOM 0 HB1 ALA A 32 40.718 -6.521 15.388 1.00 0.00 H new ATOM 0 HB2 ALA A 32 39.973 -5.370 16.523 1.00 0.00 H new ATOM 0 HB3 ALA A 32 39.342 -7.029 16.395 1.00 0.00 H new ATOM 539 N GLY A 33 37.486 -6.763 12.988 1.00 0.00 N ATOM 540 CA GLY A 33 37.137 -7.852 12.034 1.00 0.00 C ATOM 541 C GLY A 33 38.257 -8.009 11.005 1.00 0.00 C ATOM 542 O GLY A 33 38.092 -7.700 9.841 1.00 0.00 O ATOM 0 H GLY A 33 36.881 -5.943 12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 36.990 -8.788 12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 33 36.197 -7.622 11.532 1.00 0.00 H new ATOM 546 N LYS A 34 39.397 -8.487 11.423 1.00 0.00 N ATOM 547 CA LYS A 34 40.528 -8.663 10.468 1.00 0.00 C ATOM 548 C LYS A 34 40.507 -10.076 9.878 1.00 0.00 C ATOM 549 O LYS A 34 41.142 -10.281 8.857 1.00 0.00 O ATOM 550 CB LYS A 34 41.789 -8.451 11.305 1.00 0.00 C ATOM 551 CG LYS A 34 42.582 -7.269 10.745 1.00 0.00 C ATOM 552 CD LYS A 34 44.012 -7.310 11.288 1.00 0.00 C ATOM 553 CE LYS A 34 44.012 -6.895 12.761 1.00 0.00 C ATOM 554 NZ LYS A 34 44.840 -7.924 13.450 1.00 0.00 N ATOM 555 OXT LYS A 34 39.855 -10.929 10.458 1.00 0.00 O ATOM 0 H LYS A 34 39.594 -8.763 12.385 1.00 0.00 H new ATOM 0 HA LYS A 34 40.473 -7.968 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.521 -8.262 12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 34 42.402 -9.352 11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 42.594 -7.309 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 34 42.102 -6.331 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 34 44.424 -8.314 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 34 44.651 -6.641 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 34 44.433 -5.898 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 34 43.000 -6.868 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 44.888 -7.708 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 44.411 -8.862 13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 45.800 -7.922 13.050 1.00 0.00 H new TER 569 LYS A 34 ATOM 570 N ASP B 1 10.398 10.877 -9.463 1.00 0.00 N ATOM 571 CA ASP B 1 10.984 9.581 -9.014 1.00 0.00 C ATOM 572 C ASP B 1 12.464 9.508 -9.400 1.00 0.00 C ATOM 573 O ASP B 1 12.968 8.466 -9.770 1.00 0.00 O ATOM 574 CB ASP B 1 10.183 8.507 -9.750 1.00 0.00 C ATOM 575 CG ASP B 1 9.032 8.031 -8.862 1.00 0.00 C ATOM 576 OD1 ASP B 1 8.443 8.863 -8.192 1.00 0.00 O ATOM 577 OD2 ASP B 1 8.758 6.842 -8.867 1.00 0.00 O ATOM 0 H1 ASP B 1 9.368 10.861 -9.319 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.813 11.655 -8.912 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.604 11.020 -10.472 1.00 0.00 H new ATOM 0 HA ASP B 1 10.932 9.457 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP B 1 9.793 8.907 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP B 1 10.830 7.668 -10.007 1.00 0.00 H new ATOM 584 N GLY B 2 13.163 10.606 -9.316 1.00 0.00 N ATOM 585 CA GLY B 2 14.609 10.599 -9.677 1.00 0.00 C ATOM 586 C GLY B 2 15.436 11.070 -8.480 1.00 0.00 C ATOM 587 O GLY B 2 15.151 12.086 -7.879 1.00 0.00 O ATOM 0 H GLY B 2 12.796 11.508 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY B 2 14.916 9.596 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY B 2 14.784 11.251 -10.533 1.00 0.00 H new ATOM 591 N GLU B 3 16.459 10.340 -8.129 1.00 0.00 N ATOM 592 CA GLU B 3 17.302 10.748 -6.970 1.00 0.00 C ATOM 593 C GLU B 3 18.451 9.755 -6.775 1.00 0.00 C ATOM 594 O GLU B 3 18.614 8.823 -7.537 1.00 0.00 O ATOM 595 CB GLU B 3 16.360 10.720 -5.766 1.00 0.00 C ATOM 596 CG GLU B 3 16.816 11.756 -4.736 1.00 0.00 C ATOM 597 CD GLU B 3 15.602 12.524 -4.212 1.00 0.00 C ATOM 598 OE1 GLU B 3 14.772 12.905 -5.021 1.00 0.00 O ATOM 599 OE2 GLU B 3 15.522 12.719 -3.010 1.00 0.00 O ATOM 0 H GLU B 3 16.747 9.479 -8.594 1.00 0.00 H new ATOM 0 HA GLU B 3 17.752 11.730 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU B 3 15.340 10.933 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU B 3 16.354 9.726 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU B 3 17.331 11.262 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU B 3 17.528 12.446 -5.189 1.00 0.00 H new ATOM 606 N TYR B 4 19.248 9.948 -5.761 1.00 0.00 N ATOM 607 CA TYR B 4 20.385 9.014 -5.519 1.00 0.00 C ATOM 608 C TYR B 4 20.591 8.810 -4.016 1.00 0.00 C ATOM 609 O TYR B 4 19.911 9.401 -3.201 1.00 0.00 O ATOM 610 CB TYR B 4 21.601 9.703 -6.139 1.00 0.00 C ATOM 611 CG TYR B 4 21.759 11.079 -5.539 1.00 0.00 C ATOM 612 CD1 TYR B 4 21.008 12.150 -6.038 1.00 0.00 C ATOM 613 CD2 TYR B 4 22.657 11.285 -4.485 1.00 0.00 C ATOM 614 CE1 TYR B 4 21.153 13.427 -5.482 1.00 0.00 C ATOM 615 CE2 TYR B 4 22.802 12.562 -3.929 1.00 0.00 C ATOM 616 CZ TYR B 4 22.050 13.633 -4.428 1.00 0.00 C ATOM 617 OH TYR B 4 22.193 14.891 -3.880 1.00 0.00 O ATOM 0 H TYR B 4 19.162 10.711 -5.090 1.00 0.00 H new ATOM 0 HA TYR B 4 20.210 8.029 -5.951 1.00 0.00 H new ATOM 0 HB2 TYR B 4 22.499 9.111 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR B 4 21.479 9.777 -7.220 1.00 0.00 H new ATOM 0 HD1 TYR B 4 20.316 11.991 -6.852 1.00 0.00 H new ATOM 0 HD2 TYR B 4 23.238 10.459 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR B 4 20.573 14.253 -5.867 1.00 0.00 H new ATOM 0 HE2 TYR B 4 23.494 12.721 -3.115 1.00 0.00 H new ATOM 0 HH TYR B 4 22.855 14.860 -3.158 1.00 0.00 H new ATOM 627 N PHE B 5 21.527 7.981 -3.643 1.00 0.00 N ATOM 628 CA PHE B 5 21.777 7.742 -2.192 1.00 0.00 C ATOM 629 C PHE B 5 23.261 7.939 -1.872 1.00 0.00 C ATOM 630 O PHE B 5 24.123 7.636 -2.672 1.00 0.00 O ATOM 631 CB PHE B 5 21.365 6.289 -1.951 1.00 0.00 C ATOM 632 CG PHE B 5 19.872 6.151 -2.129 1.00 0.00 C ATOM 633 CD1 PHE B 5 19.325 6.068 -3.415 1.00 0.00 C ATOM 634 CD2 PHE B 5 19.035 6.106 -1.008 1.00 0.00 C ATOM 635 CE1 PHE B 5 17.941 5.939 -3.580 1.00 0.00 C ATOM 636 CE2 PHE B 5 17.651 5.977 -1.173 1.00 0.00 C ATOM 637 CZ PHE B 5 17.104 5.893 -2.459 1.00 0.00 C ATOM 0 H PHE B 5 22.129 7.459 -4.279 1.00 0.00 H new ATOM 0 HA PHE B 5 21.221 8.433 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE B 5 21.887 5.632 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE B 5 21.652 5.981 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE B 5 19.971 6.104 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE B 5 19.457 6.171 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE B 5 17.519 5.875 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE B 5 17.005 5.942 -0.308 1.00 0.00 H new ATOM 0 HZ PHE B 5 16.036 5.793 -2.586 1.00 0.00 H new ATOM 647 N THR B 6 23.565 8.444 -0.708 1.00 0.00 N ATOM 648 CA THR B 6 24.994 8.660 -0.340 1.00 0.00 C ATOM 649 C THR B 6 25.320 7.931 0.967 1.00 0.00 C ATOM 650 O THR B 6 24.546 7.940 1.903 1.00 0.00 O ATOM 651 CB THR B 6 25.133 10.172 -0.159 1.00 0.00 C ATOM 652 OG1 THR B 6 26.392 10.463 0.431 1.00 0.00 O ATOM 653 CG2 THR B 6 24.012 10.683 0.747 1.00 0.00 C ATOM 0 H THR B 6 22.887 8.716 0.004 1.00 0.00 H new ATOM 0 HA THR B 6 25.677 8.276 -1.097 1.00 0.00 H new ATOM 0 HB THR B 6 25.065 10.663 -1.130 1.00 0.00 H new ATOM 0 HG1 THR B 6 26.483 11.432 0.546 1.00 0.00 H new ATOM 0 HG21 THR B 6 24.111 11.761 0.876 1.00 0.00 H new ATOM 0 HG22 THR B 6 23.047 10.459 0.293 1.00 0.00 H new ATOM 0 HG23 THR B 6 24.078 10.194 1.719 1.00 0.00 H new ATOM 661 N LEU B 7 26.460 7.301 1.037 1.00 0.00 N ATOM 662 CA LEU B 7 26.834 6.573 2.283 1.00 0.00 C ATOM 663 C LEU B 7 28.256 6.948 2.709 1.00 0.00 C ATOM 664 O LEU B 7 29.181 6.910 1.922 1.00 0.00 O ATOM 665 CB LEU B 7 26.759 5.091 1.914 1.00 0.00 C ATOM 666 CG LEU B 7 25.809 4.373 2.873 1.00 0.00 C ATOM 667 CD1 LEU B 7 25.802 2.875 2.561 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.278 4.591 4.314 1.00 0.00 C ATOM 0 H LEU B 7 27.149 7.259 0.286 1.00 0.00 H new ATOM 0 HA LEU B 7 26.177 6.819 3.117 1.00 0.00 H new ATOM 0 HB2 LEU B 7 26.410 4.978 0.888 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.751 4.642 1.964 1.00 0.00 H new ATOM 0 HG LEU B 7 24.802 4.773 2.753 1.00 0.00 H new ATOM 0 HD11 LEU B 7 25.125 2.364 3.245 1.00 0.00 H new ATOM 0 HD12 LEU B 7 25.468 2.719 1.535 1.00 0.00 H new ATOM 0 HD13 LEU B 7 26.808 2.474 2.680 1.00 0.00 H new ATOM 0 HD21 LEU B 7 25.601 4.079 4.998 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.285 4.191 4.433 1.00 0.00 H new ATOM 0 HD23 LEU B 7 26.282 5.658 4.538 1.00 0.00 H new ATOM 680 N GLN B 8 28.437 7.308 3.950 1.00 0.00 N ATOM 681 CA GLN B 8 29.799 7.684 4.428 1.00 0.00 C ATOM 682 C GLN B 8 30.222 6.771 5.582 1.00 0.00 C ATOM 683 O GLN B 8 29.454 6.499 6.484 1.00 0.00 O ATOM 684 CB GLN B 8 29.667 9.130 4.908 1.00 0.00 C ATOM 685 CG GLN B 8 28.869 9.939 3.883 1.00 0.00 C ATOM 686 CD GLN B 8 29.426 11.362 3.810 1.00 0.00 C ATOM 687 OE1 GLN B 8 30.028 11.840 4.751 1.00 0.00 O ATOM 688 NE2 GLN B 8 29.248 12.065 2.724 1.00 0.00 N ATOM 0 H GLN B 8 27.701 7.358 4.654 1.00 0.00 H new ATOM 0 HA GLN B 8 30.554 7.583 3.648 1.00 0.00 H new ATOM 0 HB2 GLN B 8 29.168 9.158 5.877 1.00 0.00 H new ATOM 0 HB3 GLN B 8 30.655 9.570 5.045 1.00 0.00 H new ATOM 0 HG2 GLN B 8 28.927 9.464 2.904 1.00 0.00 H new ATOM 0 HG3 GLN B 8 27.816 9.963 4.163 1.00 0.00 H new ATOM 0 HE21 GLN B 8 28.743 11.664 1.934 1.00 0.00 H new ATOM 0 HE22 GLN B 8 29.614 13.015 2.666 1.00 0.00 H new ATOM 697 N ILE B 9 31.436 6.295 5.562 1.00 0.00 N ATOM 698 CA ILE B 9 31.904 5.399 6.659 1.00 0.00 C ATOM 699 C ILE B 9 33.261 5.870 7.188 1.00 0.00 C ATOM 700 O ILE B 9 33.884 6.751 6.630 1.00 0.00 O ATOM 701 CB ILE B 9 32.031 4.019 6.015 1.00 0.00 C ATOM 702 CG1 ILE B 9 30.647 3.529 5.582 1.00 0.00 C ATOM 703 CG2 ILE B 9 32.623 3.036 7.026 1.00 0.00 C ATOM 704 CD1 ILE B 9 30.683 3.140 4.103 1.00 0.00 C ATOM 0 H ILE B 9 32.125 6.487 4.834 1.00 0.00 H new ATOM 0 HA ILE B 9 31.219 5.393 7.507 1.00 0.00 H new ATOM 0 HB ILE B 9 32.684 4.084 5.145 1.00 0.00 H new ATOM 0 HG12 ILE B 9 30.347 2.673 6.187 1.00 0.00 H new ATOM 0 HG13 ILE B 9 29.905 4.311 5.745 1.00 0.00 H new ATOM 0 HG21 ILE B 9 32.713 2.052 6.566 1.00 0.00 H new ATOM 0 HG22 ILE B 9 33.608 3.383 7.337 1.00 0.00 H new ATOM 0 HG23 ILE B 9 31.970 2.971 7.896 1.00 0.00 H new ATOM 0 HD11 ILE B 9 29.698 2.791 3.794 1.00 0.00 H new ATOM 0 HD12 ILE B 9 30.964 4.007 3.505 1.00 0.00 H new ATOM 0 HD13 ILE B 9 31.413 2.344 3.954 1.00 0.00 H new ATOM 716 N ARG B 10 33.723 5.289 8.262 1.00 0.00 N ATOM 717 CA ARG B 10 35.039 5.703 8.828 1.00 0.00 C ATOM 718 C ARG B 10 35.965 4.490 8.952 1.00 0.00 C ATOM 719 O ARG B 10 36.067 3.879 9.998 1.00 0.00 O ATOM 720 CB ARG B 10 34.715 6.272 10.210 1.00 0.00 C ATOM 721 CG ARG B 10 35.685 7.409 10.536 1.00 0.00 C ATOM 722 CD ARG B 10 35.883 7.493 12.052 1.00 0.00 C ATOM 723 NE ARG B 10 36.355 8.883 12.301 1.00 0.00 N ATOM 724 CZ ARG B 10 36.193 9.425 13.477 1.00 0.00 C ATOM 725 NH1 ARG B 10 37.022 9.144 14.444 1.00 0.00 N ATOM 726 NH2 ARG B 10 35.203 10.250 13.685 1.00 0.00 N ATOM 0 H ARG B 10 33.246 4.546 8.772 1.00 0.00 H new ATOM 0 HA ARG B 10 35.549 6.431 8.197 1.00 0.00 H new ATOM 0 HB2 ARG B 10 33.689 6.638 10.232 1.00 0.00 H new ATOM 0 HB3 ARG B 10 34.790 5.488 10.964 1.00 0.00 H new ATOM 0 HG2 ARG B 10 36.642 7.238 10.043 1.00 0.00 H new ATOM 0 HG3 ARG B 10 35.295 8.354 10.157 1.00 0.00 H new ATOM 0 HD2 ARG B 10 34.953 7.290 12.584 1.00 0.00 H new ATOM 0 HD3 ARG B 10 36.613 6.760 12.396 1.00 0.00 H new ATOM 0 HE ARG B 10 36.805 9.411 11.553 1.00 0.00 H new ATOM 0 HH11 ARG B 10 37.797 8.501 14.281 1.00 0.00 H new ATOM 0 HH12 ARG B 10 36.896 9.567 15.363 1.00 0.00 H new ATOM 0 HH21 ARG B 10 34.556 10.471 12.928 1.00 0.00 H new ATOM 0 HH22 ARG B 10 35.077 10.673 14.604 1.00 0.00 H new ATOM 740 N GLY B 11 36.641 4.136 7.893 1.00 0.00 N ATOM 741 CA GLY B 11 37.558 2.963 7.951 1.00 0.00 C ATOM 742 C GLY B 11 37.628 2.299 6.575 1.00 0.00 C ATOM 743 O GLY B 11 36.625 2.104 5.918 1.00 0.00 O ATOM 0 H GLY B 11 36.598 4.609 6.990 1.00 0.00 H new ATOM 0 HA2 GLY B 11 38.553 3.281 8.264 1.00 0.00 H new ATOM 0 HA3 GLY B 11 37.204 2.248 8.694 1.00 0.00 H new ATOM 747 N ARG B 12 38.806 1.949 6.134 1.00 0.00 N ATOM 748 CA ARG B 12 38.938 1.298 4.799 1.00 0.00 C ATOM 749 C ARG B 12 38.767 -0.218 4.931 1.00 0.00 C ATOM 750 O ARG B 12 38.605 -0.922 3.954 1.00 0.00 O ATOM 751 CB ARG B 12 40.352 1.639 4.328 1.00 0.00 C ATOM 752 CG ARG B 12 40.632 0.932 3.000 1.00 0.00 C ATOM 753 CD ARG B 12 41.682 1.719 2.213 1.00 0.00 C ATOM 754 NE ARG B 12 41.275 1.584 0.787 1.00 0.00 N ATOM 755 CZ ARG B 12 41.439 2.584 -0.036 1.00 0.00 C ATOM 756 NH1 ARG B 12 42.636 3.055 -0.260 1.00 0.00 N ATOM 757 NH2 ARG B 12 40.407 3.112 -0.635 1.00 0.00 N ATOM 0 H ARG B 12 39.681 2.085 6.639 1.00 0.00 H new ATOM 0 HA ARG B 12 38.181 1.643 4.095 1.00 0.00 H new ATOM 0 HB2 ARG B 12 40.456 2.717 4.207 1.00 0.00 H new ATOM 0 HB3 ARG B 12 41.081 1.330 5.077 1.00 0.00 H new ATOM 0 HG2 ARG B 12 40.985 -0.083 3.184 1.00 0.00 H new ATOM 0 HG3 ARG B 12 39.713 0.850 2.419 1.00 0.00 H new ATOM 0 HD2 ARG B 12 41.704 2.765 2.520 1.00 0.00 H new ATOM 0 HD3 ARG B 12 42.682 1.318 2.378 1.00 0.00 H new ATOM 0 HE ARG B 12 40.868 0.710 0.453 1.00 0.00 H new ATOM 0 HH11 ARG B 12 43.443 2.642 0.208 1.00 0.00 H new ATOM 0 HH12 ARG B 12 42.765 3.836 -0.903 1.00 0.00 H new ATOM 0 HH21 ARG B 12 39.472 2.743 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG B 12 40.535 3.893 -1.278 1.00 0.00 H new ATOM 771 N GLU B 13 38.801 -0.726 6.133 1.00 0.00 N ATOM 772 CA GLU B 13 38.640 -2.196 6.325 1.00 0.00 C ATOM 773 C GLU B 13 37.266 -2.645 5.822 1.00 0.00 C ATOM 774 O GLU B 13 37.156 -3.496 4.963 1.00 0.00 O ATOM 775 CB GLU B 13 38.758 -2.416 7.834 1.00 0.00 C ATOM 776 CG GLU B 13 40.231 -2.581 8.212 1.00 0.00 C ATOM 777 CD GLU B 13 40.421 -3.898 8.967 1.00 0.00 C ATOM 778 OE1 GLU B 13 39.816 -4.051 10.015 1.00 0.00 O ATOM 779 OE2 GLU B 13 41.168 -4.732 8.483 1.00 0.00 O ATOM 0 H GLU B 13 38.933 -0.188 6.989 1.00 0.00 H new ATOM 0 HA GLU B 13 39.384 -2.769 5.772 1.00 0.00 H new ATOM 0 HB2 GLU B 13 38.326 -1.571 8.370 1.00 0.00 H new ATOM 0 HB3 GLU B 13 38.195 -3.302 8.128 1.00 0.00 H new ATOM 0 HG2 GLU B 13 40.851 -2.571 7.315 1.00 0.00 H new ATOM 0 HG3 GLU B 13 40.554 -1.745 8.832 1.00 0.00 H new ATOM 786 N ARG B 14 36.216 -2.077 6.350 1.00 0.00 N ATOM 787 CA ARG B 14 34.851 -2.469 5.899 1.00 0.00 C ATOM 788 C ARG B 14 34.501 -1.742 4.599 1.00 0.00 C ATOM 789 O ARG B 14 33.806 -2.266 3.750 1.00 0.00 O ATOM 790 CB ARG B 14 33.917 -2.030 7.026 1.00 0.00 C ATOM 791 CG ARG B 14 33.810 -0.504 7.035 1.00 0.00 C ATOM 792 CD ARG B 14 33.266 -0.038 8.387 1.00 0.00 C ATOM 793 NE ARG B 14 34.399 0.685 9.027 1.00 0.00 N ATOM 794 CZ ARG B 14 34.233 1.261 10.186 1.00 0.00 C ATOM 795 NH1 ARG B 14 33.205 2.039 10.387 1.00 0.00 N ATOM 796 NH2 ARG B 14 35.095 1.060 11.144 1.00 0.00 N ATOM 0 H ARG B 14 36.245 -1.359 7.074 1.00 0.00 H new ATOM 0 HA ARG B 14 34.772 -3.538 5.700 1.00 0.00 H new ATOM 0 HB2 ARG B 14 32.931 -2.473 6.889 1.00 0.00 H new ATOM 0 HB3 ARG B 14 34.295 -2.384 7.985 1.00 0.00 H new ATOM 0 HG2 ARG B 14 34.788 -0.059 6.852 1.00 0.00 H new ATOM 0 HG3 ARG B 14 33.153 -0.170 6.232 1.00 0.00 H new ATOM 0 HD2 ARG B 14 32.402 0.614 8.262 1.00 0.00 H new ATOM 0 HD3 ARG B 14 32.942 -0.883 8.995 1.00 0.00 H new ATOM 0 HE ARG B 14 35.305 0.730 8.560 1.00 0.00 H new ATOM 0 HH11 ARG B 14 32.531 2.197 9.638 1.00 0.00 H new ATOM 0 HH12 ARG B 14 33.076 2.489 11.293 1.00 0.00 H new ATOM 0 HH21 ARG B 14 35.899 0.452 10.987 1.00 0.00 H new ATOM 0 HH22 ARG B 14 34.965 1.510 12.050 1.00 0.00 H new ATOM 810 N PHE B 15 34.978 -0.538 4.435 1.00 0.00 N ATOM 811 CA PHE B 15 34.671 0.217 3.187 1.00 0.00 C ATOM 812 C PHE B 15 35.228 -0.527 1.972 1.00 0.00 C ATOM 813 O PHE B 15 34.510 -0.845 1.045 1.00 0.00 O ATOM 814 CB PHE B 15 35.367 1.567 3.348 1.00 0.00 C ATOM 815 CG PHE B 15 35.345 2.293 2.024 1.00 0.00 C ATOM 816 CD1 PHE B 15 34.139 2.801 1.527 1.00 0.00 C ATOM 817 CD2 PHE B 15 36.527 2.451 1.291 1.00 0.00 C ATOM 818 CE1 PHE B 15 34.115 3.469 0.298 1.00 0.00 C ATOM 819 CE2 PHE B 15 36.503 3.119 0.061 1.00 0.00 C ATOM 820 CZ PHE B 15 35.296 3.628 -0.436 1.00 0.00 C ATOM 0 H PHE B 15 35.565 -0.046 5.109 1.00 0.00 H new ATOM 0 HA PHE B 15 33.598 0.331 3.032 1.00 0.00 H new ATOM 0 HB2 PHE B 15 34.864 2.161 4.111 1.00 0.00 H new ATOM 0 HB3 PHE B 15 36.395 1.423 3.681 1.00 0.00 H new ATOM 0 HD1 PHE B 15 33.227 2.677 2.092 1.00 0.00 H new ATOM 0 HD2 PHE B 15 37.457 2.058 1.674 1.00 0.00 H new ATOM 0 HE1 PHE B 15 33.185 3.862 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE B 15 37.415 3.242 -0.505 1.00 0.00 H new ATOM 0 HZ PHE B 15 35.277 4.143 -1.385 1.00 0.00 H new ATOM 830 N GLU B 16 36.504 -0.810 1.969 1.00 0.00 N ATOM 831 CA GLU B 16 37.098 -1.536 0.810 1.00 0.00 C ATOM 832 C GLU B 16 36.179 -2.686 0.394 1.00 0.00 C ATOM 833 O GLU B 16 36.166 -3.102 -0.748 1.00 0.00 O ATOM 834 CB GLU B 16 38.444 -2.066 1.310 1.00 0.00 C ATOM 835 CG GLU B 16 38.216 -3.203 2.308 1.00 0.00 C ATOM 836 CD GLU B 16 38.543 -4.541 1.641 1.00 0.00 C ATOM 837 OE1 GLU B 16 37.724 -5.011 0.868 1.00 0.00 O ATOM 838 OE2 GLU B 16 39.607 -5.072 1.913 1.00 0.00 O ATOM 0 H GLU B 16 37.157 -0.571 2.715 1.00 0.00 H new ATOM 0 HA GLU B 16 37.224 -0.895 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU B 16 39.040 -2.422 0.469 1.00 0.00 H new ATOM 0 HB3 GLU B 16 39.008 -1.262 1.783 1.00 0.00 H new ATOM 0 HG2 GLU B 16 38.843 -3.060 3.188 1.00 0.00 H new ATOM 0 HG3 GLU B 16 37.181 -3.199 2.650 1.00 0.00 H new ATOM 845 N GLN B 17 35.400 -3.195 1.310 1.00 0.00 N ATOM 846 CA GLN B 17 34.472 -4.308 0.964 1.00 0.00 C ATOM 847 C GLN B 17 33.284 -3.756 0.174 1.00 0.00 C ATOM 848 O GLN B 17 32.887 -4.303 -0.835 1.00 0.00 O ATOM 849 CB GLN B 17 34.013 -4.876 2.307 1.00 0.00 C ATOM 850 CG GLN B 17 35.222 -5.046 3.229 1.00 0.00 C ATOM 851 CD GLN B 17 35.093 -6.358 4.004 1.00 0.00 C ATOM 852 OE1 GLN B 17 35.093 -6.363 5.219 1.00 0.00 O ATOM 853 NE2 GLN B 17 34.982 -7.481 3.348 1.00 0.00 N ATOM 0 H GLN B 17 35.367 -2.888 2.282 1.00 0.00 H new ATOM 0 HA GLN B 17 34.943 -5.073 0.347 1.00 0.00 H new ATOM 0 HB2 GLN B 17 33.283 -4.209 2.766 1.00 0.00 H new ATOM 0 HB3 GLN B 17 33.518 -5.836 2.158 1.00 0.00 H new ATOM 0 HG2 GLN B 17 36.142 -5.046 2.644 1.00 0.00 H new ATOM 0 HG3 GLN B 17 35.285 -4.207 3.922 1.00 0.00 H new ATOM 0 HE21 GLN B 17 34.982 -7.478 2.328 1.00 0.00 H new ATOM 0 HE22 GLN B 17 34.895 -8.362 3.855 1.00 0.00 H new ATOM 862 N PHE B 18 32.718 -2.667 0.624 1.00 0.00 N ATOM 863 CA PHE B 18 31.562 -2.073 -0.105 1.00 0.00 C ATOM 864 C PHE B 18 32.047 -1.424 -1.404 1.00 0.00 C ATOM 865 O PHE B 18 31.437 -1.564 -2.445 1.00 0.00 O ATOM 866 CB PHE B 18 30.988 -1.019 0.843 1.00 0.00 C ATOM 867 CG PHE B 18 30.305 -1.703 2.002 1.00 0.00 C ATOM 868 CD1 PHE B 18 29.433 -2.772 1.765 1.00 0.00 C ATOM 869 CD2 PHE B 18 30.541 -1.269 3.312 1.00 0.00 C ATOM 870 CE1 PHE B 18 28.798 -3.408 2.836 1.00 0.00 C ATOM 871 CE2 PHE B 18 29.905 -1.905 4.385 1.00 0.00 C ATOM 872 CZ PHE B 18 29.033 -2.974 4.147 1.00 0.00 C ATOM 0 H PHE B 18 33.007 -2.165 1.464 1.00 0.00 H new ATOM 0 HA PHE B 18 30.814 -2.818 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE B 18 31.784 -0.370 1.208 1.00 0.00 H new ATOM 0 HB3 PHE B 18 30.278 -0.385 0.312 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.251 -3.106 0.754 1.00 0.00 H new ATOM 0 HD2 PHE B 18 31.213 -0.444 3.495 1.00 0.00 H new ATOM 0 HE1 PHE B 18 28.126 -4.234 2.653 1.00 0.00 H new ATOM 0 HE2 PHE B 18 30.087 -1.571 5.396 1.00 0.00 H new ATOM 0 HZ PHE B 18 28.541 -3.464 4.974 1.00 0.00 H new ATOM 882 N ARG B 19 33.146 -0.719 -1.352 1.00 0.00 N ATOM 883 CA ARG B 19 33.672 -0.069 -2.587 1.00 0.00 C ATOM 884 C ARG B 19 33.748 -1.095 -3.719 1.00 0.00 C ATOM 885 O ARG B 19 33.126 -0.942 -4.752 1.00 0.00 O ATOM 886 CB ARG B 19 35.071 0.425 -2.215 1.00 0.00 C ATOM 887 CG ARG B 19 35.752 1.010 -3.454 1.00 0.00 C ATOM 888 CD ARG B 19 34.867 2.104 -4.056 1.00 0.00 C ATOM 889 NE ARG B 19 35.781 2.908 -4.914 1.00 0.00 N ATOM 890 CZ ARG B 19 36.390 3.951 -4.421 1.00 0.00 C ATOM 891 NH1 ARG B 19 35.696 4.929 -3.907 1.00 0.00 N ATOM 892 NH2 ARG B 19 37.693 4.016 -4.441 1.00 0.00 N ATOM 0 H ARG B 19 33.701 -0.566 -0.510 1.00 0.00 H new ATOM 0 HA ARG B 19 33.036 0.746 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG B 19 35.005 1.181 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG B 19 35.664 -0.397 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG B 19 36.725 1.421 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG B 19 35.929 0.225 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG B 19 34.052 1.676 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG B 19 34.414 2.718 -3.278 1.00 0.00 H new ATOM 0 HE ARG B 19 35.931 2.643 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG B 19 34.677 4.878 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG B 19 36.172 5.745 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG B 19 38.236 3.251 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG B 19 38.169 4.832 -4.055 1.00 0.00 H new ATOM 906 N GLU B 20 34.501 -2.144 -3.531 1.00 0.00 N ATOM 907 CA GLU B 20 34.609 -3.183 -4.594 1.00 0.00 C ATOM 908 C GLU B 20 33.213 -3.683 -4.972 1.00 0.00 C ATOM 909 O GLU B 20 32.881 -3.811 -6.133 1.00 0.00 O ATOM 910 CB GLU B 20 35.434 -4.308 -3.970 1.00 0.00 C ATOM 911 CG GLU B 20 36.806 -4.371 -4.643 1.00 0.00 C ATOM 912 CD GLU B 20 37.157 -5.828 -4.953 1.00 0.00 C ATOM 913 OE1 GLU B 20 36.668 -6.697 -4.249 1.00 0.00 O ATOM 914 OE2 GLU B 20 37.908 -6.050 -5.888 1.00 0.00 O ATOM 0 H GLU B 20 35.046 -2.326 -2.688 1.00 0.00 H new ATOM 0 HA GLU B 20 35.072 -2.802 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU B 20 35.550 -4.137 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU B 20 34.916 -5.260 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU B 20 36.799 -3.784 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU B 20 37.563 -3.934 -3.991 1.00 0.00 H new ATOM 921 N ARG B 21 32.390 -3.962 -3.996 1.00 0.00 N ATOM 922 CA ARG B 21 31.014 -4.447 -4.299 1.00 0.00 C ATOM 923 C ARG B 21 30.226 -3.356 -5.027 1.00 0.00 C ATOM 924 O ARG B 21 29.563 -3.611 -6.012 1.00 0.00 O ATOM 925 CB ARG B 21 30.386 -4.745 -2.938 1.00 0.00 C ATOM 926 CG ARG B 21 31.167 -5.864 -2.246 1.00 0.00 C ATOM 927 CD ARG B 21 30.397 -7.180 -2.378 1.00 0.00 C ATOM 928 NE ARG B 21 31.446 -8.232 -2.470 1.00 0.00 N ATOM 929 CZ ARG B 21 31.151 -9.473 -2.197 1.00 0.00 C ATOM 930 NH1 ARG B 21 30.646 -10.243 -3.121 1.00 0.00 N ATOM 931 NH2 ARG B 21 31.360 -9.944 -0.998 1.00 0.00 N ATOM 0 H ARG B 21 32.612 -3.875 -3.004 1.00 0.00 H new ATOM 0 HA ARG B 21 31.017 -5.326 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.392 -3.848 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG B 21 29.344 -5.039 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG B 21 32.156 -5.962 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG B 21 31.316 -5.621 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG B 21 29.747 -7.345 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG B 21 29.761 -7.178 -3.263 1.00 0.00 H new ATOM 0 HE ARG B 21 32.396 -7.983 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG B 21 30.482 -9.875 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG B 21 30.416 -11.213 -2.907 1.00 0.00 H new ATOM 0 HH21 ARG B 21 31.754 -9.342 -0.275 1.00 0.00 H new ATOM 0 HH22 ARG B 21 31.130 -10.914 -0.784 1.00 0.00 H new ATOM 945 N ASN B 22 30.298 -2.141 -4.551 1.00 0.00 N ATOM 946 CA ASN B 22 29.557 -1.035 -5.222 1.00 0.00 C ATOM 947 C ASN B 22 29.712 -1.157 -6.738 1.00 0.00 C ATOM 948 O ASN B 22 28.744 -1.191 -7.471 1.00 0.00 O ATOM 949 CB ASN B 22 30.213 0.250 -4.714 1.00 0.00 C ATOM 950 CG ASN B 22 29.665 1.446 -5.494 1.00 0.00 C ATOM 951 OD1 ASN B 22 30.379 2.395 -5.755 1.00 0.00 O ATOM 952 ND2 ASN B 22 28.419 1.442 -5.882 1.00 0.00 N ATOM 0 H ASN B 22 30.836 -1.868 -3.729 1.00 0.00 H new ATOM 0 HA ASN B 22 28.489 -1.054 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN B 22 30.015 0.375 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN B 22 31.295 0.190 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN B 22 28.045 2.235 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN B 22 27.819 0.646 -5.664 1.00 0.00 H new ATOM 959 N GLU B 23 30.925 -1.235 -7.213 1.00 0.00 N ATOM 960 CA GLU B 23 31.139 -1.370 -8.680 1.00 0.00 C ATOM 961 C GLU B 23 30.407 -2.612 -9.190 1.00 0.00 C ATOM 962 O GLU B 23 29.628 -2.549 -10.121 1.00 0.00 O ATOM 963 CB GLU B 23 32.651 -1.526 -8.850 1.00 0.00 C ATOM 964 CG GLU B 23 33.011 -1.431 -10.334 1.00 0.00 C ATOM 965 CD GLU B 23 33.133 0.040 -10.735 1.00 0.00 C ATOM 966 OE1 GLU B 23 32.421 0.850 -10.165 1.00 0.00 O ATOM 967 OE2 GLU B 23 33.936 0.332 -11.606 1.00 0.00 O ATOM 0 H GLU B 23 31.775 -1.211 -6.649 1.00 0.00 H new ATOM 0 HA GLU B 23 30.759 -0.516 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU B 23 33.173 -0.751 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU B 23 32.976 -2.485 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU B 23 33.950 -1.950 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU B 23 32.247 -1.921 -10.937 1.00 0.00 H new ATOM 974 N ALA B 24 30.642 -3.741 -8.577 1.00 0.00 N ATOM 975 CA ALA B 24 29.948 -4.984 -9.018 1.00 0.00 C ATOM 976 C ALA B 24 28.434 -4.778 -8.940 1.00 0.00 C ATOM 977 O ALA B 24 27.702 -5.122 -9.847 1.00 0.00 O ATOM 978 CB ALA B 24 30.398 -6.063 -8.032 1.00 0.00 C ATOM 0 H ALA B 24 31.283 -3.856 -7.792 1.00 0.00 H new ATOM 0 HA ALA B 24 30.186 -5.257 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA B 24 29.928 -7.012 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA B 24 31.482 -6.170 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA B 24 30.106 -5.777 -7.022 1.00 0.00 H new ATOM 984 N LEU B 25 27.962 -4.207 -7.865 1.00 0.00 N ATOM 985 CA LEU B 25 26.498 -3.965 -7.731 1.00 0.00 C ATOM 986 C LEU B 25 26.054 -2.922 -8.759 1.00 0.00 C ATOM 987 O LEU B 25 25.004 -3.033 -9.360 1.00 0.00 O ATOM 988 CB LEU B 25 26.310 -3.435 -6.310 1.00 0.00 C ATOM 989 CG LEU B 25 25.501 -4.443 -5.491 1.00 0.00 C ATOM 990 CD1 LEU B 25 24.124 -4.632 -6.129 1.00 0.00 C ATOM 991 CD2 LEU B 25 26.239 -5.785 -5.465 1.00 0.00 C ATOM 0 H LEU B 25 28.527 -3.898 -7.074 1.00 0.00 H new ATOM 0 HA LEU B 25 25.907 -4.864 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU B 25 27.280 -3.266 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU B 25 25.796 -2.474 -6.334 1.00 0.00 H new ATOM 0 HG LEU B 25 25.381 -4.072 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU B 25 23.548 -5.350 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU B 25 23.599 -3.677 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU B 25 24.242 -5.004 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU B 25 25.665 -6.505 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU B 25 26.357 -6.155 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU B 25 27.221 -5.652 -5.011 1.00 0.00 H new ATOM 1003 N GLU B 26 26.852 -1.912 -8.973 1.00 0.00 N ATOM 1004 CA GLU B 26 26.479 -0.870 -9.970 1.00 0.00 C ATOM 1005 C GLU B 26 25.991 -1.540 -11.255 1.00 0.00 C ATOM 1006 O GLU B 26 24.948 -1.209 -11.784 1.00 0.00 O ATOM 1007 CB GLU B 26 27.767 -0.086 -10.227 1.00 0.00 C ATOM 1008 CG GLU B 26 27.485 1.413 -10.111 1.00 0.00 C ATOM 1009 CD GLU B 26 28.754 2.137 -9.656 1.00 0.00 C ATOM 1010 OE1 GLU B 26 29.254 1.804 -8.594 1.00 0.00 O ATOM 1011 OE2 GLU B 26 29.204 3.012 -10.377 1.00 0.00 O ATOM 0 H GLU B 26 27.744 -1.764 -8.502 1.00 0.00 H new ATOM 0 HA GLU B 26 25.677 -0.221 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU B 26 28.533 -0.379 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU B 26 28.155 -0.318 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU B 26 27.153 1.807 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU B 26 26.678 1.588 -9.399 1.00 0.00 H new ATOM 1018 N LEU B 27 26.734 -2.490 -11.755 1.00 0.00 N ATOM 1019 CA LEU B 27 26.311 -3.192 -12.999 1.00 0.00 C ATOM 1020 C LEU B 27 25.078 -4.053 -12.713 1.00 0.00 C ATOM 1021 O LEU B 27 24.175 -4.152 -13.520 1.00 0.00 O ATOM 1022 CB LEU B 27 27.503 -4.070 -13.384 1.00 0.00 C ATOM 1023 CG LEU B 27 27.194 -4.809 -14.687 1.00 0.00 C ATOM 1024 CD1 LEU B 27 28.045 -4.227 -15.818 1.00 0.00 C ATOM 1025 CD2 LEU B 27 27.520 -6.295 -14.519 1.00 0.00 C ATOM 0 H LEU B 27 27.616 -2.810 -11.355 1.00 0.00 H new ATOM 0 HA LEU B 27 26.043 -2.501 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU B 27 28.396 -3.457 -13.505 1.00 0.00 H new ATOM 0 HB3 LEU B 27 27.713 -4.785 -12.589 1.00 0.00 H new ATOM 0 HG LEU B 27 26.138 -4.692 -14.929 1.00 0.00 H new ATOM 0 HD11 LEU B 27 27.825 -4.753 -16.747 1.00 0.00 H new ATOM 0 HD12 LEU B 27 27.816 -3.168 -15.938 1.00 0.00 H new ATOM 0 HD13 LEU B 27 29.101 -4.344 -15.576 1.00 0.00 H new ATOM 0 HD21 LEU B 27 27.300 -6.823 -15.447 1.00 0.00 H new ATOM 0 HD22 LEU B 27 28.577 -6.411 -14.277 1.00 0.00 H new ATOM 0 HD23 LEU B 27 26.916 -6.711 -13.713 1.00 0.00 H new ATOM 1037 N LYS B 28 25.032 -4.672 -11.564 1.00 0.00 N ATOM 1038 CA LYS B 28 23.856 -5.522 -11.219 1.00 0.00 C ATOM 1039 C LYS B 28 22.563 -4.723 -11.403 1.00 0.00 C ATOM 1040 O LYS B 28 21.527 -5.266 -11.731 1.00 0.00 O ATOM 1041 CB LYS B 28 24.060 -5.896 -9.748 1.00 0.00 C ATOM 1042 CG LYS B 28 22.739 -6.379 -9.144 1.00 0.00 C ATOM 1043 CD LYS B 28 22.228 -7.584 -9.936 1.00 0.00 C ATOM 1044 CE LYS B 28 23.215 -8.745 -9.789 1.00 0.00 C ATOM 1045 NZ LYS B 28 22.722 -9.794 -10.724 1.00 0.00 N ATOM 0 H LYS B 28 25.758 -4.626 -10.849 1.00 0.00 H new ATOM 0 HA LYS B 28 23.776 -6.405 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS B 28 24.815 -6.677 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS B 28 24.430 -5.034 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS B 28 22.883 -6.652 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS B 28 22.002 -5.577 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS B 28 21.244 -7.881 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS B 28 22.114 -7.320 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS B 28 24.229 -8.435 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS B 28 23.242 -9.112 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 23.349 -10.622 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 21.758 -10.075 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 22.714 -9.419 -11.694 1.00 0.00 H new ATOM 1059 N ASP B 29 22.618 -3.436 -11.196 1.00 0.00 N ATOM 1060 CA ASP B 29 21.395 -2.599 -11.361 1.00 0.00 C ATOM 1061 C ASP B 29 21.209 -2.221 -12.833 1.00 0.00 C ATOM 1062 O ASP B 29 20.114 -2.248 -13.358 1.00 0.00 O ATOM 1063 CB ASP B 29 21.654 -1.351 -10.516 1.00 0.00 C ATOM 1064 CG ASP B 29 21.039 -1.536 -9.128 1.00 0.00 C ATOM 1065 OD1 ASP B 29 21.111 -2.639 -8.613 1.00 0.00 O ATOM 1066 OD2 ASP B 29 20.506 -0.572 -8.604 1.00 0.00 O ATOM 0 H ASP B 29 23.458 -2.927 -10.919 1.00 0.00 H new ATOM 0 HA ASP B 29 20.490 -3.122 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP B 29 22.726 -1.174 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP B 29 21.224 -0.475 -11.002 1.00 0.00 H new ATOM 1071 N ALA B 30 22.272 -1.868 -13.503 1.00 0.00 N ATOM 1072 CA ALA B 30 22.157 -1.486 -14.940 1.00 0.00 C ATOM 1073 C ALA B 30 21.458 -2.596 -15.730 1.00 0.00 C ATOM 1074 O ALA B 30 20.930 -2.370 -16.800 1.00 0.00 O ATOM 1075 CB ALA B 30 23.597 -1.311 -15.420 1.00 0.00 C ATOM 0 H ALA B 30 23.216 -1.827 -13.118 1.00 0.00 H new ATOM 0 HA ALA B 30 21.568 -0.580 -15.080 1.00 0.00 H new ATOM 0 HB1 ALA B 30 23.598 -1.028 -16.473 1.00 0.00 H new ATOM 0 HB2 ALA B 30 24.083 -0.531 -14.835 1.00 0.00 H new ATOM 0 HB3 ALA B 30 24.138 -2.249 -15.296 1.00 0.00 H new ATOM 1081 N GLN B 31 21.450 -3.793 -15.211 1.00 0.00 N ATOM 1082 CA GLN B 31 20.784 -4.914 -15.935 1.00 0.00 C ATOM 1083 C GLN B 31 19.496 -5.319 -15.212 1.00 0.00 C ATOM 1084 O GLN B 31 19.049 -6.445 -15.305 1.00 0.00 O ATOM 1085 CB GLN B 31 21.797 -6.059 -15.911 1.00 0.00 C ATOM 1086 CG GLN B 31 22.940 -5.749 -16.880 1.00 0.00 C ATOM 1087 CD GLN B 31 24.045 -6.795 -16.719 1.00 0.00 C ATOM 1088 OE1 GLN B 31 23.769 -7.962 -16.526 1.00 0.00 O ATOM 1089 NE2 GLN B 31 25.294 -6.423 -16.791 1.00 0.00 N ATOM 0 H GLN B 31 21.875 -4.044 -14.318 1.00 0.00 H new ATOM 0 HA GLN B 31 20.504 -4.640 -16.952 1.00 0.00 H new ATOM 0 HB2 GLN B 31 22.187 -6.192 -14.902 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.312 -6.994 -16.191 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.571 -5.749 -17.906 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.337 -4.753 -16.684 1.00 0.00 H new ATOM 0 HE21 GLN B 31 25.526 -5.443 -16.953 1.00 0.00 H new ATOM 0 HE22 GLN B 31 26.038 -7.112 -16.685 1.00 0.00 H new ATOM 1098 N ALA B 32 18.896 -4.409 -14.494 1.00 0.00 N ATOM 1099 CA ALA B 32 17.637 -4.743 -13.768 1.00 0.00 C ATOM 1100 C ALA B 32 17.865 -5.932 -12.831 1.00 0.00 C ATOM 1101 O ALA B 32 17.116 -6.889 -12.833 1.00 0.00 O ATOM 1102 CB ALA B 32 16.634 -5.107 -14.862 1.00 0.00 C ATOM 0 H ALA B 32 19.223 -3.450 -14.379 1.00 0.00 H new ATOM 0 HA ALA B 32 17.285 -3.916 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA B 32 15.678 -5.366 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA B 32 16.499 -4.256 -15.530 1.00 0.00 H new ATOM 0 HB3 ALA B 32 17.008 -5.959 -15.430 1.00 0.00 H new ATOM 1108 N GLY B 33 18.894 -5.879 -12.030 1.00 0.00 N ATOM 1109 CA GLY B 33 19.167 -7.006 -11.094 1.00 0.00 C ATOM 1110 C GLY B 33 18.042 -7.098 -10.061 1.00 0.00 C ATOM 1111 O GLY B 33 18.234 -6.820 -8.894 1.00 0.00 O ATOM 0 H GLY B 33 19.557 -5.105 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY B 33 19.244 -7.942 -11.648 1.00 0.00 H new ATOM 0 HA3 GLY B 33 20.123 -6.853 -10.593 1.00 0.00 H new ATOM 1115 N LYS B 34 16.869 -7.484 -10.482 1.00 0.00 N ATOM 1116 CA LYS B 34 15.731 -7.593 -9.524 1.00 0.00 C ATOM 1117 C LYS B 34 15.654 -9.012 -8.953 1.00 0.00 C ATOM 1118 O LYS B 34 15.013 -9.184 -7.930 1.00 0.00 O ATOM 1119 CB LYS B 34 14.485 -7.279 -10.352 1.00 0.00 C ATOM 1120 CG LYS B 34 13.780 -6.051 -9.771 1.00 0.00 C ATOM 1121 CD LYS B 34 12.350 -5.982 -10.310 1.00 0.00 C ATOM 1122 CE LYS B 34 12.378 -5.547 -11.777 1.00 0.00 C ATOM 1123 NZ LYS B 34 11.475 -6.502 -12.479 1.00 0.00 N ATOM 1124 OXT LYS B 34 16.239 -9.901 -9.550 1.00 0.00 O ATOM 0 H LYS B 34 16.649 -7.729 -11.447 1.00 0.00 H new ATOM 0 HA LYS B 34 15.838 -6.916 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS B 34 14.762 -7.095 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.809 -8.134 -10.350 1.00 0.00 H new ATOM 0 HG2 LYS B 34 13.768 -6.107 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS B 34 14.325 -5.145 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS B 34 11.868 -6.955 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.762 -5.277 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.032 -4.520 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS B 34 13.389 -5.589 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.442 -6.268 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.833 -7.471 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.518 -6.435 -12.077 1.00 0.00 H new TER 1138 LYS B 34