USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot 150:sc= -1.69! USER MOD Set 1.2: A 34 THR OG1 : rot -46:sc= 1.25 USER MOD Single : A 2 SER OG : rot -60:sc= -3.67! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -9.76! C(o=-9.8!,f=-21!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.507 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -0.0317 (180deg=-0.172) USER MOD Single : A 56 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.021) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 67 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.47) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.396 7.447 6.033 1.00 0.00 N ATOM 41 CA SER A 2 10.937 8.015 7.291 1.00 0.00 C ATOM 42 C SER A 2 12.247 7.259 7.574 1.00 0.00 C ATOM 43 O SER A 2 12.802 6.711 6.646 1.00 0.00 O ATOM 44 CB SER A 2 9.888 7.822 8.388 1.00 0.00 C ATOM 45 OG SER A 2 10.005 6.517 8.941 1.00 0.00 O ATOM 0 HA SER A 2 11.150 9.083 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.022 8.571 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.888 7.965 7.977 1.00 0.00 H new ATOM 0 HG SER A 2 9.863 5.850 8.238 1.00 0.00 H new ATOM 51 N PRO A 3 12.730 7.243 8.800 1.00 0.00 N ATOM 52 CA PRO A 3 13.981 6.520 9.120 1.00 0.00 C ATOM 53 C PRO A 3 13.767 4.987 9.097 1.00 0.00 C ATOM 54 O PRO A 3 14.042 4.310 10.068 1.00 0.00 O ATOM 55 CB PRO A 3 14.339 6.976 10.541 1.00 0.00 C ATOM 56 CG PRO A 3 13.181 7.866 11.059 1.00 0.00 C ATOM 57 CD PRO A 3 12.127 7.956 9.945 1.00 0.00 C ATOM 0 HA PRO A 3 14.765 6.734 8.394 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.480 6.115 11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.277 7.532 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.746 7.440 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.548 8.859 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.188 7.493 10.250 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.904 8.993 9.693 1.00 0.00 H new ATOM 65 N GLU A 4 13.291 4.431 8.004 1.00 0.00 N ATOM 66 CA GLU A 4 13.081 2.960 7.939 1.00 0.00 C ATOM 67 C GLU A 4 11.853 2.579 8.758 1.00 0.00 C ATOM 68 O GLU A 4 11.895 1.672 9.564 1.00 0.00 O ATOM 69 CB GLU A 4 14.310 2.241 8.494 1.00 0.00 C ATOM 70 CG GLU A 4 15.576 2.917 7.964 1.00 0.00 C ATOM 71 CD GLU A 4 16.688 1.875 7.819 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.736 1.230 6.785 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.471 1.743 8.744 1.00 0.00 O ATOM 0 H GLU A 4 13.041 4.940 7.157 1.00 0.00 H new ATOM 0 HA GLU A 4 12.927 2.665 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.299 2.267 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.295 1.191 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.375 3.386 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.891 3.708 8.644 1.00 0.00 H new ATOM 80 N GLU A 5 10.756 3.264 8.571 1.00 0.00 N ATOM 81 CA GLU A 5 9.545 2.915 9.367 1.00 0.00 C ATOM 82 C GLU A 5 8.377 2.548 8.448 1.00 0.00 C ATOM 83 O GLU A 5 7.525 1.758 8.802 1.00 0.00 O ATOM 84 CB GLU A 5 9.158 4.097 10.231 1.00 0.00 C ATOM 85 CG GLU A 5 8.861 3.616 11.652 1.00 0.00 C ATOM 86 CD GLU A 5 7.380 3.835 11.968 1.00 0.00 C ATOM 87 OE1 GLU A 5 7.007 4.971 12.209 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.645 2.861 11.964 1.00 0.00 O ATOM 0 H GLU A 5 10.647 4.036 7.914 1.00 0.00 H new ATOM 0 HA GLU A 5 9.774 2.053 9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.965 4.830 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.282 4.595 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.112 2.560 11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.480 4.158 12.367 1.00 0.00 H new ATOM 95 N LEU A 6 8.329 3.107 7.274 1.00 0.00 N ATOM 96 CA LEU A 6 7.224 2.784 6.340 1.00 0.00 C ATOM 97 C LEU A 6 7.570 1.501 5.578 1.00 0.00 C ATOM 98 O LEU A 6 6.716 0.667 5.367 1.00 0.00 O ATOM 99 CB LEU A 6 6.934 4.022 5.472 1.00 0.00 C ATOM 100 CG LEU A 6 6.716 3.710 3.995 1.00 0.00 C ATOM 101 CD1 LEU A 6 5.850 2.473 3.808 1.00 0.00 C ATOM 102 CD2 LEU A 6 5.976 4.874 3.353 1.00 0.00 C ATOM 0 H LEU A 6 9.012 3.777 6.921 1.00 0.00 H new ATOM 0 HA LEU A 6 6.289 2.564 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.049 4.525 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.765 4.721 5.566 1.00 0.00 H new ATOM 0 HG LEU A 6 7.693 3.542 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.716 2.281 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.336 1.615 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.878 2.636 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.814 4.663 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.014 5.011 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.569 5.783 3.455 1.00 0.00 H new ATOM 114 N LYS A 7 8.810 1.306 5.199 1.00 0.00 N ATOM 115 CA LYS A 7 9.184 0.045 4.491 1.00 0.00 C ATOM 116 C LYS A 7 8.476 -1.151 5.145 1.00 0.00 C ATOM 117 O LYS A 7 8.293 -2.179 4.530 1.00 0.00 O ATOM 118 CB LYS A 7 10.696 -0.163 4.580 1.00 0.00 C ATOM 119 CG LYS A 7 11.126 -1.246 3.590 1.00 0.00 C ATOM 120 CD LYS A 7 12.654 -1.330 3.566 1.00 0.00 C ATOM 121 CE LYS A 7 13.121 -2.317 4.637 1.00 0.00 C ATOM 122 NZ LYS A 7 14.591 -2.528 4.514 1.00 0.00 N ATOM 0 H LYS A 7 9.575 1.963 5.349 1.00 0.00 H new ATOM 0 HA LYS A 7 8.881 0.122 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.215 0.770 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.974 -0.452 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.702 -2.208 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.747 -1.016 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.997 -1.653 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.087 -0.346 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.880 -1.934 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.596 -3.266 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.908 -3.199 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.809 -2.911 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.084 -1.621 4.641 1.00 0.00 H new ATOM 136 N GLY A 8 8.083 -1.032 6.390 1.00 0.00 N ATOM 137 CA GLY A 8 7.386 -2.173 7.064 1.00 0.00 C ATOM 138 C GLY A 8 6.307 -2.738 6.135 1.00 0.00 C ATOM 139 O GLY A 8 6.309 -3.908 5.818 1.00 0.00 O ATOM 0 H GLY A 8 8.213 -0.200 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.105 -2.952 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.936 -1.837 7.998 1.00 0.00 H new ATOM 143 N ILE A 9 5.394 -1.916 5.689 1.00 0.00 N ATOM 144 CA ILE A 9 4.331 -2.387 4.772 1.00 0.00 C ATOM 145 C ILE A 9 4.908 -3.376 3.788 1.00 0.00 C ATOM 146 O ILE A 9 4.308 -4.374 3.455 1.00 0.00 O ATOM 147 CB ILE A 9 3.866 -1.182 4.004 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.877 -1.582 2.931 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.060 -0.493 3.361 1.00 0.00 C ATOM 150 CD1 ILE A 9 1.750 -0.569 2.957 1.00 0.00 C ATOM 0 H ILE A 9 5.345 -0.926 5.928 1.00 0.00 H new ATOM 0 HA ILE A 9 3.523 -2.862 5.328 1.00 0.00 H new ATOM 0 HB ILE A 9 3.375 -0.498 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.357 -1.598 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.495 -2.586 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.720 0.380 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.760 -0.180 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.557 -1.185 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.014 -0.824 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.275 -0.579 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.150 0.425 2.757 1.00 0.00 H new ATOM 162 N PHE A 10 6.072 -3.076 3.321 1.00 0.00 N ATOM 163 CA PHE A 10 6.744 -3.953 2.345 1.00 0.00 C ATOM 164 C PHE A 10 7.438 -5.162 2.989 1.00 0.00 C ATOM 165 O PHE A 10 8.594 -5.442 2.740 1.00 0.00 O ATOM 166 CB PHE A 10 7.718 -3.150 1.499 1.00 0.00 C ATOM 167 CG PHE A 10 7.218 -3.166 0.097 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.956 -2.671 -0.239 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.025 -3.757 -0.864 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.512 -2.772 -1.561 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.592 -3.848 -2.172 1.00 0.00 C ATOM 172 CZ PHE A 10 6.339 -3.363 -2.528 1.00 0.00 C ATOM 0 H PHE A 10 6.599 -2.242 3.580 1.00 0.00 H new ATOM 0 HA PHE A 10 5.965 -4.364 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.791 -2.127 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.718 -3.581 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.330 -2.215 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.994 -4.147 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.537 -2.397 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.228 -4.297 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.001 -3.441 -3.551 1.00 0.00 H new ATOM 182 N GLU A 11 6.708 -5.896 3.770 1.00 0.00 N ATOM 183 CA GLU A 11 7.227 -7.124 4.418 1.00 0.00 C ATOM 184 C GLU A 11 6.087 -7.674 5.281 1.00 0.00 C ATOM 185 O GLU A 11 5.953 -8.861 5.495 1.00 0.00 O ATOM 186 CB GLU A 11 8.459 -6.816 5.279 1.00 0.00 C ATOM 187 CG GLU A 11 8.216 -5.562 6.119 1.00 0.00 C ATOM 188 CD GLU A 11 9.323 -5.427 7.168 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.463 -5.233 6.778 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.012 -5.522 8.344 1.00 0.00 O ATOM 0 H GLU A 11 5.735 -5.687 3.994 1.00 0.00 H new ATOM 0 HA GLU A 11 7.543 -7.852 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.677 -7.662 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.331 -6.672 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.198 -4.680 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.243 -5.621 6.607 1.00 0.00 H new ATOM 197 N LYS A 12 5.248 -6.786 5.744 1.00 0.00 N ATOM 198 CA LYS A 12 4.065 -7.184 6.563 1.00 0.00 C ATOM 199 C LYS A 12 2.877 -7.494 5.647 1.00 0.00 C ATOM 200 O LYS A 12 2.489 -8.633 5.475 1.00 0.00 O ATOM 201 CB LYS A 12 3.681 -6.058 7.522 1.00 0.00 C ATOM 202 CG LYS A 12 2.469 -6.501 8.340 1.00 0.00 C ATOM 203 CD LYS A 12 2.921 -6.926 9.739 1.00 0.00 C ATOM 204 CE LYS A 12 3.434 -5.706 10.504 1.00 0.00 C ATOM 205 NZ LYS A 12 3.873 -6.126 11.864 1.00 0.00 N ATOM 0 H LYS A 12 5.334 -5.782 5.586 1.00 0.00 H new ATOM 0 HA LYS A 12 4.325 -8.072 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.516 -5.823 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.449 -5.150 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.748 -5.686 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.965 -7.330 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.091 -7.383 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.706 -7.679 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.265 -5.248 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.649 -4.953 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.223 -5.298 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.069 -6.544 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.634 -6.830 11.781 1.00 0.00 H new ATOM 219 N TYR A 13 2.293 -6.473 5.057 1.00 0.00 N ATOM 220 CA TYR A 13 1.126 -6.699 4.155 1.00 0.00 C ATOM 221 C TYR A 13 1.643 -7.207 2.812 1.00 0.00 C ATOM 222 O TYR A 13 1.157 -8.182 2.277 1.00 0.00 O ATOM 223 CB TYR A 13 0.356 -5.395 3.916 1.00 0.00 C ATOM 224 CG TYR A 13 0.612 -4.383 5.010 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.646 -4.772 6.353 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.785 -3.037 4.667 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.857 -3.810 7.354 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.994 -2.078 5.666 1.00 0.00 C ATOM 229 CZ TYR A 13 1.028 -2.464 7.009 1.00 0.00 C ATOM 230 OH TYR A 13 1.231 -1.518 7.992 1.00 0.00 O ATOM 0 H TYR A 13 2.577 -5.499 5.164 1.00 0.00 H new ATOM 0 HA TYR A 13 0.457 -7.422 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.647 -4.972 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.712 -5.608 3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.510 -5.810 6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.757 -2.737 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.887 -4.109 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.129 -1.040 5.399 1.00 0.00 H new ATOM 0 HH TYR A 13 1.781 -0.789 7.636 1.00 0.00 H new ATOM 240 N ALA A 14 2.634 -6.562 2.267 1.00 0.00 N ATOM 241 CA ALA A 14 3.193 -7.034 0.975 1.00 0.00 C ATOM 242 C ALA A 14 3.530 -8.516 1.138 1.00 0.00 C ATOM 243 O ALA A 14 3.615 -9.255 0.178 1.00 0.00 O ATOM 244 CB ALA A 14 4.479 -6.250 0.630 1.00 0.00 C ATOM 0 H ALA A 14 3.079 -5.732 2.659 1.00 0.00 H new ATOM 0 HA ALA A 14 2.472 -6.880 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.878 -6.606 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.247 -5.188 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.220 -6.402 1.415 1.00 0.00 H new ATOM 250 N ASP A 15 3.735 -8.952 2.363 1.00 0.00 N ATOM 251 CA ASP A 15 4.088 -10.380 2.602 1.00 0.00 C ATOM 252 C ASP A 15 2.814 -11.226 2.623 1.00 0.00 C ATOM 253 O ASP A 15 2.819 -12.374 2.230 1.00 0.00 O ATOM 254 CB ASP A 15 4.835 -10.531 3.939 1.00 0.00 C ATOM 255 CG ASP A 15 4.891 -12.010 4.332 1.00 0.00 C ATOM 256 OD1 ASP A 15 3.925 -12.489 4.902 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.900 -12.638 4.057 1.00 0.00 O ATOM 0 H ASP A 15 3.672 -8.376 3.202 1.00 0.00 H new ATOM 0 HA ASP A 15 4.739 -10.722 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.844 -10.129 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.330 -9.957 4.716 1.00 0.00 H new ATOM 262 N LYS A 16 1.722 -10.669 3.078 1.00 0.00 N ATOM 263 CA LYS A 16 0.447 -11.433 3.120 1.00 0.00 C ATOM 264 C LYS A 16 0.293 -12.232 1.826 1.00 0.00 C ATOM 265 O LYS A 16 -0.270 -13.309 1.812 1.00 0.00 O ATOM 266 CB LYS A 16 -0.715 -10.448 3.254 1.00 0.00 C ATOM 267 CG LYS A 16 -1.710 -10.964 4.293 1.00 0.00 C ATOM 268 CD LYS A 16 -1.745 -10.003 5.482 1.00 0.00 C ATOM 269 CE LYS A 16 -2.947 -10.330 6.369 1.00 0.00 C ATOM 270 NZ LYS A 16 -2.507 -10.425 7.789 1.00 0.00 N ATOM 0 H LYS A 16 1.662 -9.711 3.424 1.00 0.00 H new ATOM 0 HA LYS A 16 0.450 -12.118 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.341 -9.468 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.211 -10.323 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.703 -11.050 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.422 -11.961 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.823 -10.086 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.810 -8.974 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.710 -9.558 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.400 -11.270 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.325 -10.647 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.794 -11.176 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.095 -9.518 8.086 1.00 0.00 H new ATOM 284 N GLU A 17 0.798 -11.714 0.740 1.00 0.00 N ATOM 285 CA GLU A 17 0.693 -12.442 -0.554 1.00 0.00 C ATOM 286 C GLU A 17 1.924 -13.331 -0.726 1.00 0.00 C ATOM 287 O GLU A 17 2.491 -13.430 -1.796 1.00 0.00 O ATOM 288 CB GLU A 17 0.619 -11.440 -1.699 1.00 0.00 C ATOM 289 CG GLU A 17 -0.755 -11.524 -2.370 1.00 0.00 C ATOM 290 CD GLU A 17 -0.738 -12.617 -3.439 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.093 -12.417 -4.454 1.00 0.00 O ATOM 292 OE2 GLU A 17 -1.373 -13.637 -3.226 1.00 0.00 O ATOM 0 H GLU A 17 1.280 -10.816 0.694 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.207 -13.057 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.790 -10.431 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.403 -11.647 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.522 -11.741 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.010 -10.565 -2.820 1.00 0.00 H new ATOM 299 N GLY A 18 2.340 -13.979 0.327 1.00 0.00 N ATOM 300 CA GLY A 18 3.533 -14.866 0.243 1.00 0.00 C ATOM 301 C GLY A 18 4.721 -14.101 -0.353 1.00 0.00 C ATOM 302 O GLY A 18 5.272 -14.493 -1.362 1.00 0.00 O ATOM 0 H GLY A 18 1.902 -13.931 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.790 -15.236 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.306 -15.736 -0.373 1.00 0.00 H new ATOM 306 N ASP A 19 5.133 -13.020 0.262 1.00 0.00 N ATOM 307 CA ASP A 19 6.298 -12.266 -0.291 1.00 0.00 C ATOM 308 C ASP A 19 6.707 -11.124 0.648 1.00 0.00 C ATOM 309 O ASP A 19 7.530 -11.296 1.525 1.00 0.00 O ATOM 310 CB ASP A 19 5.946 -11.708 -1.679 1.00 0.00 C ATOM 311 CG ASP A 19 7.141 -11.888 -2.617 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.149 -11.237 -2.392 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.028 -12.671 -3.545 1.00 0.00 O ATOM 0 H ASP A 19 4.720 -12.632 1.110 1.00 0.00 H new ATOM 0 HA ASP A 19 7.141 -12.951 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.074 -12.224 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.685 -10.652 -1.603 1.00 0.00 H new ATOM 318 N GLY A 20 6.171 -9.957 0.448 1.00 0.00 N ATOM 319 CA GLY A 20 6.552 -8.792 1.290 1.00 0.00 C ATOM 320 C GLY A 20 7.207 -7.776 0.370 1.00 0.00 C ATOM 321 O GLY A 20 7.391 -6.626 0.716 1.00 0.00 O ATOM 0 H GLY A 20 5.476 -9.757 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.675 -8.364 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.238 -9.095 2.081 1.00 0.00 H new ATOM 325 N ASN A 21 7.569 -8.202 -0.814 1.00 0.00 N ATOM 326 CA ASN A 21 8.215 -7.284 -1.761 1.00 0.00 C ATOM 327 C ASN A 21 7.190 -6.706 -2.758 1.00 0.00 C ATOM 328 O ASN A 21 7.544 -5.984 -3.664 1.00 0.00 O ATOM 329 CB ASN A 21 9.304 -8.054 -2.506 1.00 0.00 C ATOM 330 CG ASN A 21 10.602 -8.006 -1.701 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.380 -7.082 -1.832 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.867 -8.970 -0.865 1.00 0.00 N ATOM 0 H ASN A 21 7.438 -9.155 -1.154 1.00 0.00 H new ATOM 0 HA ASN A 21 8.650 -6.446 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.995 -9.088 -2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.460 -7.621 -3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.729 -8.949 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.213 -9.745 -0.756 1.00 0.00 H new ATOM 339 N GLN A 22 5.925 -6.995 -2.594 1.00 0.00 N ATOM 340 CA GLN A 22 4.898 -6.419 -3.523 1.00 0.00 C ATOM 341 C GLN A 22 3.607 -6.174 -2.742 1.00 0.00 C ATOM 342 O GLN A 22 3.354 -6.791 -1.726 1.00 0.00 O ATOM 343 CB GLN A 22 4.635 -7.351 -4.708 1.00 0.00 C ATOM 344 CG GLN A 22 5.920 -8.084 -5.094 1.00 0.00 C ATOM 345 CD GLN A 22 6.057 -9.344 -4.243 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.002 -9.483 -3.493 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.145 -10.274 -4.329 1.00 0.00 N ATOM 0 H GLN A 22 5.557 -7.602 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 22 5.273 -5.478 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.860 -8.072 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.265 -6.777 -5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.899 -8.346 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.782 -7.434 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.352 -10.154 -4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.225 -11.120 -3.765 1.00 0.00 H new ATOM 356 N LEU A 23 2.817 -5.230 -3.177 1.00 0.00 N ATOM 357 CA LEU A 23 1.577 -4.886 -2.428 1.00 0.00 C ATOM 358 C LEU A 23 0.311 -5.072 -3.271 1.00 0.00 C ATOM 359 O LEU A 23 0.341 -5.598 -4.354 1.00 0.00 O ATOM 360 CB LEU A 23 1.696 -3.421 -2.040 1.00 0.00 C ATOM 361 CG LEU A 23 2.142 -3.341 -0.590 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.489 -1.897 -0.233 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.023 -3.842 0.322 1.00 0.00 C ATOM 0 H LEU A 23 2.978 -4.681 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 23 1.485 -5.547 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.414 -2.915 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.739 -2.916 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 23 3.025 -3.965 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.808 -1.846 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.295 -1.547 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.611 -1.266 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.347 -3.783 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.136 -3.224 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.787 -4.877 0.074 1.00 0.00 H new ATOM 375 N SER A 24 -0.810 -4.629 -2.759 1.00 0.00 N ATOM 376 CA SER A 24 -2.074 -4.733 -3.474 1.00 0.00 C ATOM 377 C SER A 24 -3.002 -3.677 -2.870 1.00 0.00 C ATOM 378 O SER A 24 -2.635 -2.986 -1.942 1.00 0.00 O ATOM 379 CB SER A 24 -2.657 -6.119 -3.251 1.00 0.00 C ATOM 380 OG SER A 24 -1.630 -6.989 -2.797 1.00 0.00 O ATOM 0 H SER A 24 -0.881 -4.188 -1.842 1.00 0.00 H new ATOM 0 HA SER A 24 -1.948 -4.577 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.463 -6.074 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.089 -6.498 -4.177 1.00 0.00 H new ATOM 0 HG SER A 24 -2.001 -7.884 -2.650 1.00 0.00 H new ATOM 386 N LYS A 25 -4.190 -3.547 -3.364 1.00 0.00 N ATOM 387 CA LYS A 25 -5.118 -2.537 -2.787 1.00 0.00 C ATOM 388 C LYS A 25 -5.598 -3.024 -1.421 1.00 0.00 C ATOM 389 O LYS A 25 -5.923 -2.244 -0.550 1.00 0.00 O ATOM 390 CB LYS A 25 -6.319 -2.356 -3.707 1.00 0.00 C ATOM 391 CG LYS A 25 -6.957 -0.989 -3.446 1.00 0.00 C ATOM 392 CD LYS A 25 -8.072 -0.739 -4.461 1.00 0.00 C ATOM 393 CE LYS A 25 -9.178 -1.779 -4.269 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.478 -1.216 -4.734 1.00 0.00 N ATOM 0 H LYS A 25 -4.564 -4.092 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.599 -1.584 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.008 -2.432 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.047 -3.149 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.359 -0.952 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.203 -0.205 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.476 0.265 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.676 -0.797 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.941 -2.684 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.247 -2.062 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.229 -1.923 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.705 -0.364 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.408 -0.967 -5.741 1.00 0.00 H new ATOM 408 N GLU A 26 -5.640 -4.312 -1.232 1.00 0.00 N ATOM 409 CA GLU A 26 -6.092 -4.863 0.073 1.00 0.00 C ATOM 410 C GLU A 26 -4.949 -4.768 1.083 1.00 0.00 C ATOM 411 O GLU A 26 -5.079 -5.175 2.221 1.00 0.00 O ATOM 412 CB GLU A 26 -6.498 -6.326 -0.113 1.00 0.00 C ATOM 413 CG GLU A 26 -7.750 -6.401 -0.992 1.00 0.00 C ATOM 414 CD GLU A 26 -8.998 -6.294 -0.116 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.167 -5.266 0.518 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.766 -7.243 -0.096 1.00 0.00 O ATOM 0 H GLU A 26 -5.379 -5.010 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.946 -4.294 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.683 -6.885 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.693 -6.786 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.739 -5.596 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.762 -7.339 -1.546 1.00 0.00 H new ATOM 423 N GLU A 27 -3.829 -4.230 0.680 1.00 0.00 N ATOM 424 CA GLU A 27 -2.685 -4.108 1.622 1.00 0.00 C ATOM 425 C GLU A 27 -2.262 -2.640 1.732 1.00 0.00 C ATOM 426 O GLU A 27 -1.314 -2.310 2.414 1.00 0.00 O ATOM 427 CB GLU A 27 -1.508 -4.948 1.123 1.00 0.00 C ATOM 428 CG GLU A 27 -1.822 -6.435 1.308 1.00 0.00 C ATOM 429 CD GLU A 27 -1.018 -7.258 0.299 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.020 -6.783 -0.130 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.456 -8.349 -0.028 1.00 0.00 O ATOM 0 H GLU A 27 -3.659 -3.871 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.990 -4.470 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.316 -4.735 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.603 -4.686 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.577 -6.745 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.889 -6.612 1.169 1.00 0.00 H new ATOM 438 N LEU A 28 -2.974 -1.752 1.092 1.00 0.00 N ATOM 439 CA LEU A 28 -2.635 -0.317 1.189 1.00 0.00 C ATOM 440 C LEU A 28 -3.506 0.244 2.312 1.00 0.00 C ATOM 441 O LEU A 28 -3.078 1.020 3.138 1.00 0.00 O ATOM 442 CB LEU A 28 -2.922 0.331 -0.173 1.00 0.00 C ATOM 443 CG LEU A 28 -3.600 1.689 -0.005 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.614 2.687 0.607 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.058 2.203 -1.374 1.00 0.00 C ATOM 0 H LEU A 28 -3.779 -1.968 0.504 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.587 -0.124 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.990 0.452 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.559 -0.326 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.462 1.582 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.102 3.655 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.287 2.324 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.750 2.794 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.542 3.172 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.195 2.307 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.764 1.496 -1.811 1.00 0.00 H new ATOM 457 N LYS A 29 -4.719 -0.213 2.364 1.00 0.00 N ATOM 458 CA LYS A 29 -5.650 0.163 3.408 1.00 0.00 C ATOM 459 C LYS A 29 -5.098 -0.315 4.744 1.00 0.00 C ATOM 460 O LYS A 29 -5.071 0.407 5.711 1.00 0.00 O ATOM 461 CB LYS A 29 -6.919 -0.572 3.096 1.00 0.00 C ATOM 462 CG LYS A 29 -7.918 -0.181 4.135 1.00 0.00 C ATOM 463 CD LYS A 29 -9.316 -0.337 3.565 1.00 0.00 C ATOM 464 CE LYS A 29 -10.354 0.159 4.599 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.619 0.515 3.897 1.00 0.00 N ATOM 0 H LYS A 29 -5.104 -0.865 1.681 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.811 1.240 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.278 -0.315 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.753 -1.649 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.802 -0.805 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.752 0.850 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.408 0.232 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.505 -1.382 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.543 -0.616 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.966 1.026 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.319 0.849 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.432 1.268 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.991 -0.323 3.406 1.00 0.00 H new ATOM 479 N LEU A 30 -4.646 -1.535 4.797 1.00 0.00 N ATOM 480 CA LEU A 30 -4.076 -2.054 6.068 1.00 0.00 C ATOM 481 C LEU A 30 -2.976 -1.098 6.531 1.00 0.00 C ATOM 482 O LEU A 30 -2.793 -0.867 7.707 1.00 0.00 O ATOM 483 CB LEU A 30 -3.473 -3.441 5.829 1.00 0.00 C ATOM 484 CG LEU A 30 -4.486 -4.520 6.210 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.803 -4.268 5.474 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.937 -5.891 5.814 1.00 0.00 C ATOM 0 H LEU A 30 -4.647 -2.193 4.018 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.856 -2.127 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.190 -3.549 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.564 -3.559 6.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.661 -4.492 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.525 -5.038 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.194 -3.289 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.630 -4.297 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.657 -6.663 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.764 -5.917 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.998 -6.072 6.337 1.00 0.00 H new ATOM 498 N LEU A 31 -2.241 -0.541 5.604 1.00 0.00 N ATOM 499 CA LEU A 31 -1.144 0.398 5.980 1.00 0.00 C ATOM 500 C LEU A 31 -1.686 1.501 6.883 1.00 0.00 C ATOM 501 O LEU A 31 -1.307 1.619 8.030 1.00 0.00 O ATOM 502 CB LEU A 31 -0.558 1.036 4.724 1.00 0.00 C ATOM 503 CG LEU A 31 0.413 2.149 5.123 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.502 1.576 6.030 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.053 2.743 3.866 1.00 0.00 C ATOM 0 H LEU A 31 -2.354 -0.696 4.602 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.372 -0.162 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.041 0.284 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.357 1.441 4.102 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.129 2.929 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.194 2.369 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.045 1.155 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.045 0.795 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.745 3.536 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.595 1.963 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.276 3.153 3.221 1.00 0.00 H new ATOM 517 N LEU A 32 -2.560 2.323 6.374 1.00 0.00 N ATOM 518 CA LEU A 32 -3.104 3.418 7.211 1.00 0.00 C ATOM 519 C LEU A 32 -3.827 2.841 8.424 1.00 0.00 C ATOM 520 O LEU A 32 -3.861 3.429 9.468 1.00 0.00 O ATOM 521 CB LEU A 32 -4.038 4.265 6.405 1.00 0.00 C ATOM 522 CG LEU A 32 -5.034 3.363 5.771 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.406 3.853 6.162 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.827 3.409 4.268 1.00 0.00 C ATOM 0 H LEU A 32 -2.917 2.282 5.420 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.279 4.040 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.536 4.997 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.490 4.823 5.646 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.924 2.329 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.163 3.211 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.506 3.827 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.541 4.876 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.549 2.753 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.967 4.430 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.816 3.077 4.030 1.00 0.00 H new ATOM 536 N GLN A 33 -4.400 1.686 8.323 1.00 0.00 N ATOM 537 CA GLN A 33 -5.087 1.135 9.526 1.00 0.00 C ATOM 538 C GLN A 33 -4.042 0.867 10.606 1.00 0.00 C ATOM 539 O GLN A 33 -4.328 0.919 11.784 1.00 0.00 O ATOM 540 CB GLN A 33 -5.821 -0.159 9.172 1.00 0.00 C ATOM 541 CG GLN A 33 -6.952 0.149 8.189 1.00 0.00 C ATOM 542 CD GLN A 33 -8.094 -0.851 8.387 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.882 -0.718 9.302 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.219 -1.851 7.558 1.00 0.00 N ATOM 0 H GLN A 33 -4.428 1.105 7.485 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.821 1.854 9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.127 -0.875 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.224 -0.620 10.074 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.315 1.165 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.582 0.095 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.557 -1.962 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.978 -2.521 7.678 1.00 0.00 H new ATOM 553 N THR A 34 -2.828 0.600 10.216 1.00 0.00 N ATOM 554 CA THR A 34 -1.765 0.353 11.220 1.00 0.00 C ATOM 555 C THR A 34 -1.230 1.701 11.703 1.00 0.00 C ATOM 556 O THR A 34 -0.711 1.820 12.795 1.00 0.00 O ATOM 557 CB THR A 34 -0.634 -0.446 10.574 1.00 0.00 C ATOM 558 OG1 THR A 34 0.209 0.433 9.842 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.221 -1.500 9.634 1.00 0.00 C ATOM 0 H THR A 34 -2.528 0.543 9.243 1.00 0.00 H new ATOM 0 HA THR A 34 -2.166 -0.211 12.062 1.00 0.00 H new ATOM 0 HB THR A 34 -0.051 -0.943 11.350 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.340 1.040 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.412 -2.068 9.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.863 -2.175 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.806 -1.009 8.857 1.00 0.00 H new ATOM 567 N GLU A 35 -1.355 2.722 10.893 1.00 0.00 N ATOM 568 CA GLU A 35 -0.853 4.064 11.307 1.00 0.00 C ATOM 569 C GLU A 35 -2.019 5.072 11.364 1.00 0.00 C ATOM 570 O GLU A 35 -2.285 5.650 12.399 1.00 0.00 O ATOM 571 CB GLU A 35 0.227 4.542 10.324 1.00 0.00 C ATOM 572 CG GLU A 35 1.316 3.472 10.210 1.00 0.00 C ATOM 573 CD GLU A 35 2.675 4.087 10.548 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.693 5.132 11.178 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.678 3.501 10.172 1.00 0.00 O ATOM 0 H GLU A 35 -1.781 2.683 9.967 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.413 3.991 12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.214 4.734 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.659 5.482 10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.101 2.646 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.332 3.061 9.201 1.00 0.00 H new ATOM 582 N PHE A 36 -2.716 5.297 10.276 1.00 0.00 N ATOM 583 CA PHE A 36 -3.850 6.275 10.311 1.00 0.00 C ATOM 584 C PHE A 36 -5.075 5.695 9.572 1.00 0.00 C ATOM 585 O PHE A 36 -5.397 6.149 8.500 1.00 0.00 O ATOM 586 CB PHE A 36 -3.436 7.569 9.589 1.00 0.00 C ATOM 587 CG PHE A 36 -1.933 7.625 9.422 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.342 7.025 8.302 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.134 8.272 10.371 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.045 7.072 8.131 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.256 8.320 10.199 1.00 0.00 C ATOM 592 CZ PHE A 36 0.845 7.718 9.077 1.00 0.00 C ATOM 0 H PHE A 36 -2.552 4.851 9.374 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.100 6.476 11.353 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.918 7.618 8.613 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.777 8.434 10.157 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.959 6.525 7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.588 8.734 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.498 6.609 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.874 8.820 10.930 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.916 7.754 8.945 1.00 0.00 H new ATOM 602 N PRO A 37 -5.733 4.724 10.160 1.00 0.00 N ATOM 603 CA PRO A 37 -6.922 4.095 9.542 1.00 0.00 C ATOM 604 C PRO A 37 -7.972 5.138 9.134 1.00 0.00 C ATOM 605 O PRO A 37 -8.907 4.835 8.422 1.00 0.00 O ATOM 606 CB PRO A 37 -7.486 3.175 10.635 1.00 0.00 C ATOM 607 CG PRO A 37 -6.460 3.146 11.796 1.00 0.00 C ATOM 608 CD PRO A 37 -5.359 4.169 11.472 1.00 0.00 C ATOM 0 HA PRO A 37 -6.660 3.561 8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.451 3.543 10.985 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.650 2.171 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.945 3.392 12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.035 2.148 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.309 4.949 12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.378 3.696 11.436 1.00 0.00 H new ATOM 616 N SER A 38 -7.847 6.352 9.591 1.00 0.00 N ATOM 617 CA SER A 38 -8.865 7.381 9.239 1.00 0.00 C ATOM 618 C SER A 38 -8.919 7.624 7.725 1.00 0.00 C ATOM 619 O SER A 38 -9.986 7.766 7.160 1.00 0.00 O ATOM 620 CB SER A 38 -8.534 8.693 9.951 1.00 0.00 C ATOM 621 OG SER A 38 -7.130 8.909 9.911 1.00 0.00 O ATOM 0 H SER A 38 -7.088 6.676 10.190 1.00 0.00 H new ATOM 0 HA SER A 38 -9.840 7.014 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.055 9.522 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.878 8.656 10.985 1.00 0.00 H new ATOM 0 HG SER A 38 -6.915 9.750 10.365 1.00 0.00 H new ATOM 627 N LEU A 39 -7.798 7.700 7.060 1.00 0.00 N ATOM 628 CA LEU A 39 -7.849 7.966 5.585 1.00 0.00 C ATOM 629 C LEU A 39 -8.903 7.063 4.944 1.00 0.00 C ATOM 630 O LEU A 39 -9.632 7.469 4.060 1.00 0.00 O ATOM 631 CB LEU A 39 -6.485 7.740 4.895 1.00 0.00 C ATOM 632 CG LEU A 39 -5.387 7.438 5.914 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.119 6.997 5.182 1.00 0.00 C ATOM 634 CD2 LEU A 39 -5.087 8.696 6.735 1.00 0.00 C ATOM 0 H LEU A 39 -6.866 7.593 7.459 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.110 9.016 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.565 6.913 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.216 8.626 4.320 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.721 6.641 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.336 6.782 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.329 6.101 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.787 7.794 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.304 8.478 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.754 9.493 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.989 9.013 7.258 1.00 0.00 H new ATOM 646 N LEU A 40 -8.994 5.850 5.391 1.00 0.00 N ATOM 647 CA LEU A 40 -10.007 4.915 4.822 1.00 0.00 C ATOM 648 C LEU A 40 -11.249 4.908 5.712 1.00 0.00 C ATOM 649 O LEU A 40 -11.674 3.879 6.198 1.00 0.00 O ATOM 650 CB LEU A 40 -9.422 3.501 4.753 1.00 0.00 C ATOM 651 CG LEU A 40 -8.268 3.413 3.734 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.655 2.455 2.610 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.938 4.779 3.116 1.00 0.00 C ATOM 0 H LEU A 40 -8.410 5.458 6.130 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.278 5.243 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.061 3.208 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.206 2.795 4.478 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.388 3.056 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.840 2.392 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.849 1.466 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.552 2.822 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.120 4.668 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.817 5.167 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.643 5.473 3.903 1.00 0.00 H new ATOM 767 N GLU A 48 -7.988 6.634 -6.201 1.00 0.00 N ATOM 768 CA GLU A 48 -6.974 7.593 -6.692 1.00 0.00 C ATOM 769 C GLU A 48 -5.604 7.116 -6.277 1.00 0.00 C ATOM 770 O GLU A 48 -4.586 7.502 -6.817 1.00 0.00 O ATOM 771 CB GLU A 48 -7.236 8.912 -6.018 1.00 0.00 C ATOM 772 CG GLU A 48 -7.230 8.721 -4.499 1.00 0.00 C ATOM 773 CD GLU A 48 -5.865 9.123 -3.938 1.00 0.00 C ATOM 774 OE1 GLU A 48 -5.410 10.207 -4.261 1.00 0.00 O ATOM 775 OE2 GLU A 48 -5.298 8.340 -3.193 1.00 0.00 O ATOM 0 HA GLU A 48 -7.024 7.683 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.475 9.637 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.197 9.313 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.014 9.325 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.444 7.681 -4.252 1.00 0.00 H new ATOM 782 N LEU A 49 -5.595 6.284 -5.304 1.00 0.00 N ATOM 783 CA LEU A 49 -4.321 5.740 -4.783 1.00 0.00 C ATOM 784 C LEU A 49 -4.027 4.433 -5.506 1.00 0.00 C ATOM 785 O LEU A 49 -2.909 3.964 -5.567 1.00 0.00 O ATOM 786 CB LEU A 49 -4.499 5.483 -3.294 1.00 0.00 C ATOM 787 CG LEU A 49 -3.181 5.750 -2.562 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.039 5.029 -3.279 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.902 7.255 -2.552 1.00 0.00 C ATOM 0 H LEU A 49 -6.431 5.944 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.496 6.434 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.284 6.126 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.816 4.453 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.255 5.383 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.102 5.221 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.236 3.957 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.964 5.395 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.964 7.448 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.829 7.618 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.714 7.772 -2.040 1.00 0.00 H new ATOM 801 N PHE A 50 -5.049 3.854 -6.050 1.00 0.00 N ATOM 802 CA PHE A 50 -4.904 2.568 -6.787 1.00 0.00 C ATOM 803 C PHE A 50 -4.390 2.824 -8.213 1.00 0.00 C ATOM 804 O PHE A 50 -3.389 2.274 -8.626 1.00 0.00 O ATOM 805 CB PHE A 50 -6.274 1.891 -6.839 1.00 0.00 C ATOM 806 CG PHE A 50 -6.212 0.682 -7.742 1.00 0.00 C ATOM 807 CD1 PHE A 50 -6.459 0.824 -9.113 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.913 -0.580 -7.212 1.00 0.00 C ATOM 809 CE1 PHE A 50 -6.407 -0.293 -9.954 1.00 0.00 C ATOM 810 CE2 PHE A 50 -5.861 -1.698 -8.055 1.00 0.00 C ATOM 811 CZ PHE A 50 -6.108 -1.554 -9.425 1.00 0.00 C ATOM 0 H PHE A 50 -6.000 4.221 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.185 1.927 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.581 1.592 -5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.023 2.593 -7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.690 1.797 -9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.723 -0.691 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.598 -0.182 -11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.630 -2.671 -7.647 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.068 -2.416 -10.074 1.00 0.00 H new ATOM 821 N GLU A 51 -5.065 3.650 -8.969 1.00 0.00 N ATOM 822 CA GLU A 51 -4.616 3.936 -10.360 1.00 0.00 C ATOM 823 C GLU A 51 -3.261 4.646 -10.323 1.00 0.00 C ATOM 824 O GLU A 51 -2.382 4.361 -11.111 1.00 0.00 O ATOM 825 CB GLU A 51 -5.645 4.832 -11.052 1.00 0.00 C ATOM 826 CG GLU A 51 -5.759 4.439 -12.528 1.00 0.00 C ATOM 827 CD GLU A 51 -6.787 5.339 -13.220 1.00 0.00 C ATOM 828 OE1 GLU A 51 -6.828 6.515 -12.897 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.514 4.837 -14.061 1.00 0.00 O ATOM 0 H GLU A 51 -5.912 4.140 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.519 3.001 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.614 4.734 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.349 5.877 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.789 4.535 -13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.058 3.394 -12.615 1.00 0.00 H new ATOM 836 N GLU A 52 -3.081 5.563 -9.406 1.00 0.00 N ATOM 837 CA GLU A 52 -1.776 6.277 -9.316 1.00 0.00 C ATOM 838 C GLU A 52 -0.648 5.254 -9.451 1.00 0.00 C ATOM 839 O GLU A 52 0.440 5.562 -9.899 1.00 0.00 O ATOM 840 CB GLU A 52 -1.669 6.977 -7.960 1.00 0.00 C ATOM 841 CG GLU A 52 -1.205 8.420 -8.166 1.00 0.00 C ATOM 842 CD GLU A 52 0.288 8.435 -8.496 1.00 0.00 C ATOM 843 OE1 GLU A 52 1.032 7.753 -7.813 1.00 0.00 O ATOM 844 OE2 GLU A 52 0.662 9.131 -9.427 1.00 0.00 O ATOM 0 H GLU A 52 -3.780 5.846 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.703 7.020 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.635 6.963 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.966 6.446 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.771 8.883 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.395 9.006 -7.267 1.00 0.00 H new ATOM 851 N LEU A 53 -0.913 4.035 -9.074 1.00 0.00 N ATOM 852 CA LEU A 53 0.120 2.970 -9.182 1.00 0.00 C ATOM 853 C LEU A 53 -0.029 2.278 -10.542 1.00 0.00 C ATOM 854 O LEU A 53 -1.126 2.032 -11.002 1.00 0.00 O ATOM 855 CB LEU A 53 -0.082 1.957 -8.049 1.00 0.00 C ATOM 856 CG LEU A 53 -0.517 2.692 -6.776 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.420 1.750 -5.574 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.396 3.900 -6.547 1.00 0.00 C ATOM 0 H LEU A 53 -1.808 3.729 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 53 1.119 3.399 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.836 1.223 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.843 1.410 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.548 3.027 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.730 2.278 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.070 0.890 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.610 1.411 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.087 4.423 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.426 3.562 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.325 4.576 -7.399 1.00 0.00 H new ATOM 870 N ASP A 54 1.061 1.977 -11.195 1.00 0.00 N ATOM 871 CA ASP A 54 0.975 1.317 -12.532 1.00 0.00 C ATOM 872 C ASP A 54 0.451 -0.106 -12.380 1.00 0.00 C ATOM 873 O ASP A 54 -0.388 -0.559 -13.133 1.00 0.00 O ATOM 874 CB ASP A 54 2.362 1.281 -13.176 1.00 0.00 C ATOM 875 CG ASP A 54 2.237 1.509 -14.685 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.569 2.454 -15.069 1.00 0.00 O ATOM 877 OD2 ASP A 54 2.814 0.732 -15.431 1.00 0.00 O ATOM 0 H ASP A 54 2.008 2.159 -10.862 1.00 0.00 H new ATOM 0 HA ASP A 54 0.292 1.884 -13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.999 2.048 -12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.839 0.320 -12.982 1.00 0.00 H new ATOM 882 N LYS A 55 0.945 -0.812 -11.414 1.00 0.00 N ATOM 883 CA LYS A 55 0.487 -2.215 -11.203 1.00 0.00 C ATOM 884 C LYS A 55 0.594 -2.978 -12.527 1.00 0.00 C ATOM 885 O LYS A 55 0.962 -2.425 -13.544 1.00 0.00 O ATOM 886 CB LYS A 55 -0.971 -2.222 -10.722 1.00 0.00 C ATOM 887 CG LYS A 55 -1.303 -0.895 -10.034 1.00 0.00 C ATOM 888 CD LYS A 55 -2.699 -0.979 -9.395 1.00 0.00 C ATOM 889 CE LYS A 55 -2.574 -1.273 -7.872 1.00 0.00 C ATOM 890 NZ LYS A 55 -2.637 -2.744 -7.647 1.00 0.00 N ATOM 0 H LYS A 55 1.650 -0.482 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 55 1.111 -2.693 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.641 -2.380 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.130 -3.049 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.556 -0.672 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.272 -0.081 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.235 -0.043 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.282 -1.763 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.634 -0.875 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.376 -0.776 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.466 -2.970 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.715 -3.232 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.773 -3.058 -7.160 1.00 0.00 H new ATOM 904 N ASN A 56 0.284 -4.247 -12.523 1.00 0.00 N ATOM 905 CA ASN A 56 0.374 -5.043 -13.779 1.00 0.00 C ATOM 906 C ASN A 56 -1.023 -5.522 -14.182 1.00 0.00 C ATOM 907 O ASN A 56 -1.175 -6.339 -15.071 1.00 0.00 O ATOM 908 CB ASN A 56 1.276 -6.263 -13.558 1.00 0.00 C ATOM 909 CG ASN A 56 2.163 -6.056 -12.329 1.00 0.00 C ATOM 910 OD1 ASN A 56 3.333 -5.750 -12.449 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.648 -6.217 -11.145 1.00 0.00 N ATOM 0 H ASN A 56 -0.028 -4.766 -11.702 1.00 0.00 H new ATOM 0 HA ASN A 56 0.793 -4.418 -14.567 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.665 -7.156 -13.427 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.897 -6.428 -14.439 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.227 -6.086 -10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.666 -6.474 -11.047 1.00 0.00 H new ATOM 918 N GLY A 57 -2.042 -5.027 -13.537 1.00 0.00 N ATOM 919 CA GLY A 57 -3.426 -5.460 -13.884 1.00 0.00 C ATOM 920 C GLY A 57 -3.733 -6.785 -13.191 1.00 0.00 C ATOM 921 O GLY A 57 -4.554 -7.560 -13.641 1.00 0.00 O ATOM 0 H GLY A 57 -1.977 -4.341 -12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.144 -4.701 -13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.524 -5.571 -14.964 1.00 0.00 H new ATOM 925 N ASP A 58 -3.092 -7.041 -12.089 1.00 0.00 N ATOM 926 CA ASP A 58 -3.353 -8.296 -11.347 1.00 0.00 C ATOM 927 C ASP A 58 -3.749 -7.930 -9.921 1.00 0.00 C ATOM 928 O ASP A 58 -3.876 -8.778 -9.060 1.00 0.00 O ATOM 929 CB ASP A 58 -2.092 -9.158 -11.327 1.00 0.00 C ATOM 930 CG ASP A 58 -2.442 -10.587 -11.748 1.00 0.00 C ATOM 931 OD1 ASP A 58 -3.484 -10.765 -12.355 1.00 0.00 O ATOM 932 OD2 ASP A 58 -1.661 -11.478 -11.454 1.00 0.00 O ATOM 0 H ASP A 58 -2.393 -6.428 -11.669 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.152 -8.859 -11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.344 -8.742 -12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.655 -9.159 -10.328 1.00 0.00 H new ATOM 937 N GLY A 59 -3.948 -6.663 -9.668 1.00 0.00 N ATOM 938 CA GLY A 59 -4.339 -6.231 -8.303 1.00 0.00 C ATOM 939 C GLY A 59 -3.102 -6.148 -7.405 1.00 0.00 C ATOM 940 O GLY A 59 -3.206 -6.184 -6.198 1.00 0.00 O ATOM 0 H GLY A 59 -3.855 -5.911 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.832 -5.260 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.058 -6.934 -7.882 1.00 0.00 H new ATOM 944 N GLU A 60 -1.933 -6.038 -7.976 1.00 0.00 N ATOM 945 CA GLU A 60 -0.702 -5.958 -7.135 1.00 0.00 C ATOM 946 C GLU A 60 0.206 -4.847 -7.644 1.00 0.00 C ATOM 947 O GLU A 60 0.111 -4.408 -8.772 1.00 0.00 O ATOM 948 CB GLU A 60 0.057 -7.282 -7.209 1.00 0.00 C ATOM 949 CG GLU A 60 0.704 -7.592 -5.859 1.00 0.00 C ATOM 950 CD GLU A 60 1.314 -8.994 -5.893 1.00 0.00 C ATOM 951 OE1 GLU A 60 0.798 -9.826 -6.622 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.284 -9.214 -5.189 1.00 0.00 O ATOM 0 H GLU A 60 -1.776 -6.000 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.994 -5.751 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.624 -8.086 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.822 -7.229 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.475 -6.854 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.039 -7.527 -5.064 1.00 0.00 H new ATOM 959 N VAL A 61 1.104 -4.415 -6.816 1.00 0.00 N ATOM 960 CA VAL A 61 2.060 -3.359 -7.215 1.00 0.00 C ATOM 961 C VAL A 61 3.450 -3.805 -6.777 1.00 0.00 C ATOM 962 O VAL A 61 3.665 -4.953 -6.444 1.00 0.00 O ATOM 963 CB VAL A 61 1.708 -2.032 -6.530 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.824 -1.199 -7.456 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.961 -2.300 -5.222 1.00 0.00 C ATOM 0 H VAL A 61 1.218 -4.756 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 61 2.021 -3.207 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 61 2.628 -1.489 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.574 -0.256 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.358 -0.998 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.092 -1.748 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.715 -1.352 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.043 -2.849 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.592 -2.890 -4.557 1.00 0.00 H new ATOM 975 N SER A 62 4.385 -2.915 -6.760 1.00 0.00 N ATOM 976 CA SER A 62 5.754 -3.285 -6.329 1.00 0.00 C ATOM 977 C SER A 62 6.307 -2.129 -5.485 1.00 0.00 C ATOM 978 O SER A 62 5.660 -1.114 -5.325 1.00 0.00 O ATOM 979 CB SER A 62 6.620 -3.511 -7.574 1.00 0.00 C ATOM 980 OG SER A 62 6.734 -2.289 -8.298 1.00 0.00 O ATOM 0 H SER A 62 4.263 -1.938 -7.027 1.00 0.00 H new ATOM 0 HA SER A 62 5.752 -4.201 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.608 -3.868 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.176 -4.281 -8.205 1.00 0.00 H new ATOM 0 HG SER A 62 7.289 -2.431 -9.093 1.00 0.00 H new ATOM 986 N PHE A 63 7.488 -2.257 -4.947 1.00 0.00 N ATOM 987 CA PHE A 63 8.052 -1.147 -4.126 1.00 0.00 C ATOM 988 C PHE A 63 8.443 0.006 -5.053 1.00 0.00 C ATOM 989 O PHE A 63 8.876 1.044 -4.607 1.00 0.00 O ATOM 990 CB PHE A 63 9.293 -1.648 -3.382 1.00 0.00 C ATOM 991 CG PHE A 63 9.515 -0.886 -2.079 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.499 -0.810 -1.112 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.754 -0.278 -1.827 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.723 -0.133 0.098 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.974 0.404 -0.617 1.00 0.00 C ATOM 996 CZ PHE A 63 9.958 0.475 0.348 1.00 0.00 C ATOM 0 H PHE A 63 8.086 -3.078 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 63 7.311 -0.804 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.185 -2.711 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.169 -1.539 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.542 -1.274 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.541 -0.334 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.939 -0.082 0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.928 0.875 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.128 0.996 1.279 1.00 0.00 H new ATOM 1006 N GLU A 64 8.293 -0.165 -6.344 1.00 0.00 N ATOM 1007 CA GLU A 64 8.653 0.933 -7.290 1.00 0.00 C ATOM 1008 C GLU A 64 7.509 1.949 -7.326 1.00 0.00 C ATOM 1009 O GLU A 64 7.727 3.144 -7.361 1.00 0.00 O ATOM 1010 CB GLU A 64 8.877 0.363 -8.695 1.00 0.00 C ATOM 1011 CG GLU A 64 9.881 1.234 -9.450 1.00 0.00 C ATOM 1012 CD GLU A 64 11.056 0.372 -9.918 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.860 -0.818 -10.089 1.00 0.00 O ATOM 1014 OE2 GLU A 64 12.131 0.920 -10.099 1.00 0.00 O ATOM 0 H GLU A 64 7.938 -1.015 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 64 9.571 1.416 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.247 -0.660 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.933 0.326 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.398 1.705 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.239 2.036 -8.805 1.00 0.00 H new ATOM 1021 N GLU A 65 6.289 1.481 -7.294 1.00 0.00 N ATOM 1022 CA GLU A 65 5.126 2.415 -7.299 1.00 0.00 C ATOM 1023 C GLU A 65 4.841 2.797 -5.854 1.00 0.00 C ATOM 1024 O GLU A 65 4.358 3.872 -5.554 1.00 0.00 O ATOM 1025 CB GLU A 65 3.901 1.722 -7.898 1.00 0.00 C ATOM 1026 CG GLU A 65 3.533 0.508 -7.044 1.00 0.00 C ATOM 1027 CD GLU A 65 2.722 0.962 -5.830 1.00 0.00 C ATOM 1028 OE1 GLU A 65 2.258 2.089 -5.839 1.00 0.00 O ATOM 1029 OE2 GLU A 65 2.576 0.172 -4.910 1.00 0.00 O ATOM 0 H GLU A 65 6.048 0.490 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 65 5.348 3.298 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.062 2.417 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.110 1.410 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.955 -0.203 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.436 -0.008 -6.718 1.00 0.00 H new ATOM 1036 N PHE A 66 5.165 1.908 -4.956 1.00 0.00 N ATOM 1037 CA PHE A 66 4.959 2.159 -3.502 1.00 0.00 C ATOM 1038 C PHE A 66 5.891 3.285 -3.011 1.00 0.00 C ATOM 1039 O PHE A 66 5.910 3.613 -1.842 1.00 0.00 O ATOM 1040 CB PHE A 66 5.282 0.866 -2.746 1.00 0.00 C ATOM 1041 CG PHE A 66 4.781 0.961 -1.324 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.405 1.019 -1.074 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.687 1.010 -0.257 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.931 1.131 0.238 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.210 1.116 1.054 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.834 1.179 1.300 1.00 0.00 C ATOM 0 H PHE A 66 5.573 0.999 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 66 3.928 2.464 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.819 0.016 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.358 0.691 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.707 0.977 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.750 0.966 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.869 1.180 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.906 1.149 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.471 1.265 2.313 1.00 0.00 H new ATOM 1056 N GLN A 67 6.660 3.878 -3.889 1.00 0.00 N ATOM 1057 CA GLN A 67 7.582 4.981 -3.459 1.00 0.00 C ATOM 1058 C GLN A 67 6.808 6.274 -3.363 1.00 0.00 C ATOM 1059 O GLN A 67 6.908 7.004 -2.399 1.00 0.00 O ATOM 1060 CB GLN A 67 8.726 5.165 -4.461 1.00 0.00 C ATOM 1061 CG GLN A 67 9.497 3.857 -4.625 1.00 0.00 C ATOM 1062 CD GLN A 67 10.417 3.623 -3.408 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.287 4.428 -3.145 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.275 2.555 -2.648 1.00 0.00 N ATOM 0 H GLN A 67 6.692 3.649 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 67 8.002 4.714 -2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.328 5.485 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.398 5.951 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.799 3.026 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.091 3.889 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.548 1.872 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.893 2.412 -1.849 1.00 0.00 H new ATOM 1073 N VAL A 68 6.037 6.563 -4.355 1.00 0.00 N ATOM 1074 CA VAL A 68 5.237 7.814 -4.324 1.00 0.00 C ATOM 1075 C VAL A 68 4.632 7.967 -2.926 1.00 0.00 C ATOM 1076 O VAL A 68 4.635 9.034 -2.344 1.00 0.00 O ATOM 1077 CB VAL A 68 4.137 7.711 -5.365 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.356 9.019 -5.395 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.782 7.452 -6.727 1.00 0.00 C ATOM 0 H VAL A 68 5.921 5.991 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 68 5.859 8.681 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 68 3.455 6.896 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.564 8.953 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.917 9.203 -4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.028 9.838 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.006 7.375 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.453 8.275 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.348 6.521 -6.690 1.00 0.00 H new ATOM 1089 N LEU A 69 4.151 6.887 -2.379 1.00 0.00 N ATOM 1090 CA LEU A 69 3.578 6.918 -1.003 1.00 0.00 C ATOM 1091 C LEU A 69 4.714 7.090 -0.014 1.00 0.00 C ATOM 1092 O LEU A 69 4.591 7.771 0.975 1.00 0.00 O ATOM 1093 CB LEU A 69 2.938 5.561 -0.703 1.00 0.00 C ATOM 1094 CG LEU A 69 1.591 5.696 0.031 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.484 4.562 1.051 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.497 7.031 0.774 1.00 0.00 C ATOM 0 H LEU A 69 4.130 5.973 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 69 2.850 7.726 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.787 5.019 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.621 4.966 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 69 0.785 5.650 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.536 4.639 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.534 3.603 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.306 4.634 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.535 7.097 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.301 7.096 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.588 7.851 0.062 1.00 0.00 H new ATOM 1108 N VAL A 70 5.806 6.427 -0.266 1.00 0.00 N ATOM 1109 CA VAL A 70 6.965 6.495 0.653 1.00 0.00 C ATOM 1110 C VAL A 70 7.223 7.953 1.031 1.00 0.00 C ATOM 1111 O VAL A 70 7.511 8.268 2.168 1.00 0.00 O ATOM 1112 CB VAL A 70 8.203 5.870 -0.014 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.483 6.583 0.438 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.292 4.396 0.379 1.00 0.00 C ATOM 0 H VAL A 70 5.943 5.833 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 70 6.751 5.930 1.560 1.00 0.00 H new ATOM 0 HB VAL A 70 8.106 5.973 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.345 6.124 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.430 7.636 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.585 6.496 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.167 3.947 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.378 4.313 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.394 3.876 0.046 1.00 0.00 H new ATOM 1124 N LYS A 71 7.098 8.848 0.094 1.00 0.00 N ATOM 1125 CA LYS A 71 7.311 10.288 0.406 1.00 0.00 C ATOM 1126 C LYS A 71 6.030 10.859 1.018 1.00 0.00 C ATOM 1127 O LYS A 71 5.705 12.014 0.834 1.00 0.00 O ATOM 1128 CB LYS A 71 7.640 11.037 -0.870 1.00 0.00 C ATOM 1129 CG LYS A 71 8.843 11.950 -0.634 1.00 0.00 C ATOM 1130 CD LYS A 71 10.130 11.130 -0.718 1.00 0.00 C ATOM 1131 CE LYS A 71 10.785 11.355 -2.081 1.00 0.00 C ATOM 1132 NZ LYS A 71 12.068 10.600 -2.144 1.00 0.00 N ATOM 0 H LYS A 71 6.857 8.645 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 71 8.136 10.396 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.858 10.331 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.781 11.627 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.859 12.748 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.766 12.426 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.813 11.422 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.910 10.072 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.117 11.025 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.968 12.418 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.515 10.752 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.705 10.935 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.881 9.586 -2.012 1.00 0.00 H new ATOM 1146 N LYS A 72 5.298 10.052 1.740 1.00 0.00 N ATOM 1147 CA LYS A 72 4.034 10.528 2.356 1.00 0.00 C ATOM 1148 C LYS A 72 4.103 10.358 3.878 1.00 0.00 C ATOM 1149 O LYS A 72 3.223 10.789 4.596 1.00 0.00 O ATOM 1150 CB LYS A 72 2.867 9.694 1.833 1.00 0.00 C ATOM 1151 CG LYS A 72 2.752 9.851 0.312 1.00 0.00 C ATOM 1152 CD LYS A 72 2.849 11.332 -0.058 1.00 0.00 C ATOM 1153 CE LYS A 72 2.200 11.561 -1.425 1.00 0.00 C ATOM 1154 NZ LYS A 72 1.165 12.628 -1.311 1.00 0.00 N ATOM 0 H LYS A 72 5.527 9.076 1.928 1.00 0.00 H new ATOM 0 HA LYS A 72 3.892 11.579 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.015 8.645 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.940 10.010 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.544 9.289 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.804 9.440 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.353 11.940 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.893 11.644 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.956 11.850 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.747 10.637 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.724 12.784 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.438 12.335 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.610 13.510 -0.987 1.00 0.00 H new ATOM 1168 N ILE A 73 5.121 9.700 4.377 1.00 0.00 N ATOM 1169 CA ILE A 73 5.211 9.470 5.844 1.00 0.00 C ATOM 1170 C ILE A 73 6.167 10.410 6.497 1.00 0.00 C ATOM 1171 O ILE A 73 5.926 10.931 7.567 1.00 0.00 O ATOM 1172 CB ILE A 73 5.850 8.120 6.127 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.665 7.180 4.963 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.282 7.547 7.401 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.186 7.085 4.576 1.00 0.00 C ATOM 0 H ILE A 73 5.890 9.315 3.829 1.00 0.00 H new ATOM 0 HA ILE A 73 4.191 9.575 6.213 1.00 0.00 H new ATOM 0 HB ILE A 73 6.924 8.255 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.248 7.529 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.042 6.191 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.742 6.579 7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.489 8.225 8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.204 7.422 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.073 6.402 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.611 6.713 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.820 8.072 4.294 1.00 0.00 H new ATOM 1187 N SER A 74 7.320 10.484 5.924 1.00 0.00 N ATOM 1188 CA SER A 74 8.397 11.227 6.561 1.00 0.00 C ATOM 1189 C SER A 74 7.868 12.476 7.276 1.00 0.00 C ATOM 1190 O SER A 74 8.273 12.789 8.378 1.00 0.00 O ATOM 1191 CB SER A 74 9.456 11.618 5.532 1.00 0.00 C ATOM 1192 OG SER A 74 10.644 12.013 6.204 1.00 0.00 O ATOM 0 H SER A 74 7.557 10.053 5.030 1.00 0.00 H new ATOM 0 HA SER A 74 8.851 10.578 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.662 10.778 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.089 12.433 4.909 1.00 0.00 H new ATOM 0 HG SER A 74 11.325 12.263 5.545 1.00 0.00 H new ATOM 1198 N GLN A 75 6.964 13.188 6.662 1.00 0.00 N ATOM 1199 CA GLN A 75 6.412 14.407 7.315 1.00 0.00 C ATOM 1200 C GLN A 75 5.393 13.996 8.381 1.00 0.00 C ATOM 1201 O GLN A 75 4.701 13.015 8.164 1.00 0.00 O ATOM 1202 CB GLN A 75 5.727 15.286 6.268 1.00 0.00 C ATOM 1203 CG GLN A 75 5.835 16.755 6.684 1.00 0.00 C ATOM 1204 CD GLN A 75 4.443 17.393 6.679 1.00 0.00 C ATOM 1205 OE1 GLN A 75 3.579 16.999 7.437 1.00 0.00 O ATOM 1206 NE2 GLN A 75 4.190 18.369 5.851 1.00 0.00 N ATOM 1207 OXT GLN A 75 5.324 14.669 9.396 1.00 0.00 O ATOM 0 H GLN A 75 6.585 12.979 5.739 1.00 0.00 H new ATOM 0 HA GLN A 75 7.223 14.966 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.192 15.138 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.680 15.001 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.277 16.831 7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.494 17.290 6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.916 18.699 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.266 18.802 5.840 1.00 0.00 H new