USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -121:sc= 1.19 (180deg=0) USER MOD Set 1.3: A 92 GLN : amide:sc= 1 K(o=2.2,f=-4.3) USER MOD Set 2.1: A 39 TYR OH : rot 165:sc= -0.889 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.614 (180deg=-0.738) USER MOD Single : A 11 GLN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.0559 USER MOD Single : A 14 MET CE :methyl -172:sc= -2.52 (180deg=-3.07!) USER MOD Single : A 15 MET CE :methyl -146:sc= -4.3! (180deg=-7.98!) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 0.992 (180deg=0.184) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00952) USER MOD Single : A 34 ASN : amide:sc= -2.58! C(o=-2.6!,f=-8.8!) USER MOD Single : A 37 SER OG : rot 44:sc= -0.807 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 41 SER OG : rot -170:sc= -0.0756 USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.389) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.106 (180deg=-0.542) USER MOD Single : A 56 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0876 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.368) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= 0.424 (180deg=-0.0829) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -160:sc= -0.0108 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= -2.33 (180deg=-3.25!) USER MOD Single : A 96 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.028) USER MOD Single : A 99 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.627 F(o=-2.1!,f=-0.63) USER MOD Single : A 106 LYS NZ :NH3+ 137:sc= 0.181 (180deg=-0.681) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.838 8.496 -2.263 1.00 0.00 N ATOM 67 CA VAL A 8 -10.521 8.536 -1.638 1.00 0.00 C ATOM 68 C VAL A 8 -10.614 8.997 -0.188 1.00 0.00 C ATOM 69 O VAL A 8 -11.229 10.022 0.111 1.00 0.00 O ATOM 70 CB VAL A 8 -9.565 9.472 -2.403 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.266 10.774 -2.761 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.313 9.739 -1.582 1.00 0.00 C ATOM 0 HA VAL A 8 -10.125 7.521 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.267 8.981 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.576 11.422 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.130 10.561 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.595 11.273 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.649 10.402 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.590 10.210 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.802 8.797 -1.381 1.00 0.00 H new ATOM 82 N LEU A 9 -9.999 8.235 0.710 1.00 0.00 N ATOM 83 CA LEU A 9 -10.012 8.566 2.131 1.00 0.00 C ATOM 84 C LEU A 9 -8.798 9.411 2.504 1.00 0.00 C ATOM 85 O LEU A 9 -8.925 10.437 3.172 1.00 0.00 O ATOM 86 CB LEU A 9 -10.036 7.288 2.971 1.00 0.00 C ATOM 87 CG LEU A 9 -11.021 6.208 2.523 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.855 4.952 3.365 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.451 6.723 2.606 1.00 0.00 C ATOM 0 H LEU A 9 -9.485 7.384 0.480 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.912 9.146 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.034 6.859 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.268 7.559 4.001 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.807 5.956 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.564 4.194 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.839 4.572 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.042 5.189 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.139 5.941 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.678 7.004 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.562 7.593 1.959 1.00 0.00 H new ATOM 101 N LYS A 10 -7.622 8.974 2.066 1.00 0.00 N ATOM 102 CA LYS A 10 -6.385 9.692 2.350 1.00 0.00 C ATOM 103 C LYS A 10 -5.654 10.048 1.060 1.00 0.00 C ATOM 104 O LYS A 10 -5.833 9.392 0.034 1.00 0.00 O ATOM 105 CB LYS A 10 -5.477 8.848 3.247 1.00 0.00 C ATOM 106 CG LYS A 10 -4.603 9.673 4.176 1.00 0.00 C ATOM 107 CD LYS A 10 -3.691 8.792 5.013 1.00 0.00 C ATOM 108 CE LYS A 10 -3.189 9.523 6.248 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.304 9.900 7.161 1.00 0.00 N ATOM 0 H LYS A 10 -7.500 8.126 1.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.641 10.616 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.093 8.175 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.839 8.224 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.001 10.367 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.233 10.273 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.229 7.893 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.842 8.469 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.481 8.890 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.649 10.420 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.914 10.289 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.902 10.616 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.876 9.058 7.377 1.00 0.00 H new ATOM 123 N GLN A 11 -4.830 11.089 1.119 1.00 0.00 N ATOM 124 CA GLN A 11 -4.072 11.531 -0.045 1.00 0.00 C ATOM 125 C GLN A 11 -2.858 12.352 0.375 1.00 0.00 C ATOM 126 O GLN A 11 -2.945 13.197 1.265 1.00 0.00 O ATOM 127 CB GLN A 11 -4.962 12.355 -0.977 1.00 0.00 C ATOM 128 CG GLN A 11 -5.549 13.594 -0.319 1.00 0.00 C ATOM 129 CD GLN A 11 -5.793 14.718 -1.307 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.160 15.772 -1.235 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.716 14.500 -2.236 1.00 0.00 N ATOM 0 H GLN A 11 -4.670 11.642 1.961 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.723 10.646 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.380 12.657 -1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.775 11.726 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.489 13.332 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.872 13.942 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.217 13.612 -2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.924 15.221 -2.927 1.00 0.00 H new ATOM 140 N GLY A 12 -1.724 12.097 -0.271 1.00 0.00 N ATOM 141 CA GLY A 12 -0.508 12.821 0.051 1.00 0.00 C ATOM 142 C GLY A 12 0.669 12.383 -0.799 1.00 0.00 C ATOM 143 O GLY A 12 0.616 11.343 -1.456 1.00 0.00 O ATOM 0 H GLY A 12 -1.626 11.402 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.676 13.889 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.268 12.672 1.104 1.00 0.00 H new ATOM 147 N TYR A 13 1.732 13.179 -0.788 1.00 0.00 N ATOM 148 CA TYR A 13 2.926 12.870 -1.566 1.00 0.00 C ATOM 149 C TYR A 13 3.817 11.877 -0.827 1.00 0.00 C ATOM 150 O TYR A 13 4.538 12.245 0.100 1.00 0.00 O ATOM 151 CB TYR A 13 3.709 14.149 -1.868 1.00 0.00 C ATOM 152 CG TYR A 13 3.291 14.826 -3.154 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.219 14.114 -4.345 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.968 16.177 -3.177 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.839 14.729 -5.522 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.585 16.800 -4.350 1.00 0.00 C ATOM 157 CZ TYR A 13 2.523 16.072 -5.519 1.00 0.00 C ATOM 158 OH TYR A 13 2.142 16.687 -6.690 1.00 0.00 O ATOM 0 H TYR A 13 1.792 14.043 -0.249 1.00 0.00 H new ATOM 0 HA TYR A 13 2.609 12.416 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.580 14.847 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.771 13.911 -1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.464 13.062 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.017 16.750 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.790 14.162 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.336 17.851 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 13 1.953 17.633 -6.516 1.00 0.00 H new ATOM 168 N MET A 14 3.762 10.617 -1.245 1.00 0.00 N ATOM 169 CA MET A 14 4.565 9.570 -0.624 1.00 0.00 C ATOM 170 C MET A 14 5.662 9.093 -1.570 1.00 0.00 C ATOM 171 O MET A 14 5.532 9.199 -2.789 1.00 0.00 O ATOM 172 CB MET A 14 3.679 8.391 -0.216 1.00 0.00 C ATOM 173 CG MET A 14 2.637 8.748 0.832 1.00 0.00 C ATOM 174 SD MET A 14 2.124 7.325 1.813 1.00 0.00 S ATOM 175 CE MET A 14 1.070 6.471 0.643 1.00 0.00 C ATOM 0 H MET A 14 3.170 10.296 -2.011 1.00 0.00 H new ATOM 0 HA MET A 14 5.034 9.988 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.174 8.003 -1.101 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.309 7.589 0.169 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.041 9.514 1.494 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.765 9.179 0.340 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.563 5.647 1.144 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.329 7.165 0.247 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.676 6.081 -0.175 1.00 0.00 H new ATOM 185 N MET A 15 6.742 8.568 -1.001 1.00 0.00 N ATOM 186 CA MET A 15 7.861 8.074 -1.795 1.00 0.00 C ATOM 187 C MET A 15 7.841 6.551 -1.873 1.00 0.00 C ATOM 188 O MET A 15 8.001 5.865 -0.863 1.00 0.00 O ATOM 189 CB MET A 15 9.187 8.549 -1.198 1.00 0.00 C ATOM 190 CG MET A 15 9.347 10.061 -1.199 1.00 0.00 C ATOM 191 SD MET A 15 11.025 10.582 -0.794 1.00 0.00 S ATOM 192 CE MET A 15 11.851 10.307 -2.359 1.00 0.00 C ATOM 0 H MET A 15 6.866 8.474 0.007 1.00 0.00 H new ATOM 0 HA MET A 15 7.762 8.473 -2.804 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.266 8.184 -0.174 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.009 8.104 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.077 10.450 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.652 10.496 -0.481 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.878 9.990 -2.178 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.325 9.532 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.853 11.231 -2.937 1.00 0.00 H new ATOM 202 N LYS A 16 7.645 6.027 -3.078 1.00 0.00 N ATOM 203 CA LYS A 16 7.605 4.585 -3.289 1.00 0.00 C ATOM 204 C LYS A 16 8.941 4.076 -3.821 1.00 0.00 C ATOM 205 O LYS A 16 9.458 4.582 -4.818 1.00 0.00 O ATOM 206 CB LYS A 16 6.484 4.222 -4.265 1.00 0.00 C ATOM 207 CG LYS A 16 6.470 2.754 -4.656 1.00 0.00 C ATOM 208 CD LYS A 16 5.866 2.550 -6.036 1.00 0.00 C ATOM 209 CE LYS A 16 4.367 2.811 -6.033 1.00 0.00 C ATOM 210 NZ LYS A 16 3.707 2.265 -7.250 1.00 0.00 N ATOM 0 H LYS A 16 7.511 6.580 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 16 7.410 4.108 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.525 4.479 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.587 4.828 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.487 2.363 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.900 2.186 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.351 3.217 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.058 1.531 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.922 2.361 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.185 3.884 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.984 2.935 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.417 2.123 -7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.257 1.355 -7.023 1.00 0.00 H new ATOM 224 N LYS A 17 9.496 3.071 -3.151 1.00 0.00 N ATOM 225 CA LYS A 17 10.770 2.491 -3.557 1.00 0.00 C ATOM 226 C LYS A 17 10.621 1.702 -4.854 1.00 0.00 C ATOM 227 O LYS A 17 9.843 0.752 -4.927 1.00 0.00 O ATOM 228 CB LYS A 17 11.315 1.581 -2.454 1.00 0.00 C ATOM 229 CG LYS A 17 12.832 1.514 -2.414 1.00 0.00 C ATOM 230 CD LYS A 17 13.321 0.625 -1.283 1.00 0.00 C ATOM 231 CE LYS A 17 14.723 1.011 -0.837 1.00 0.00 C ATOM 232 NZ LYS A 17 15.769 0.375 -1.683 1.00 0.00 N ATOM 0 H LYS A 17 9.082 2.641 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 17 11.473 3.306 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.950 1.934 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.919 0.575 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.206 1.133 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.238 2.518 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.636 0.699 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.315 -0.415 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.832 2.095 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.868 0.716 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.710 0.663 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.682 -0.660 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.647 0.676 -2.671 1.00 0.00 H new ATOM 355 N TRP A 24 13.849 6.356 -4.683 1.00 0.00 N ATOM 356 CA TRP A 24 12.695 6.964 -4.031 1.00 0.00 C ATOM 357 C TRP A 24 12.182 8.156 -4.831 1.00 0.00 C ATOM 358 O TRP A 24 12.935 9.081 -5.139 1.00 0.00 O ATOM 359 CB TRP A 24 13.059 7.405 -2.612 1.00 0.00 C ATOM 360 CG TRP A 24 13.401 6.263 -1.705 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.650 5.868 -1.319 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.482 5.366 -1.071 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.563 4.781 -0.483 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.244 4.454 -0.315 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.090 5.246 -1.067 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.658 3.437 0.434 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.510 4.236 -0.323 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.293 3.343 0.420 1.00 0.00 C ATOM 0 HA TRP A 24 11.903 6.217 -3.980 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.906 8.089 -2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.223 7.960 -2.186 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.571 6.341 -1.626 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.353 4.296 -0.057 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.478 5.931 -1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.260 2.746 1.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.435 4.133 -0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.810 2.565 0.993 1.00 0.00 H new ATOM 379 N THR A 25 10.896 8.129 -5.167 1.00 0.00 N ATOM 380 CA THR A 25 10.283 9.207 -5.932 1.00 0.00 C ATOM 381 C THR A 25 8.947 9.622 -5.327 1.00 0.00 C ATOM 382 O THR A 25 8.143 8.775 -4.938 1.00 0.00 O ATOM 383 CB THR A 25 10.063 8.799 -7.401 1.00 0.00 C ATOM 384 OG1 THR A 25 9.391 9.848 -8.107 1.00 0.00 O ATOM 385 CG2 THR A 25 9.247 7.518 -7.490 1.00 0.00 C ATOM 0 H THR A 25 10.259 7.372 -4.921 1.00 0.00 H new ATOM 0 HA THR A 25 10.972 10.050 -5.896 1.00 0.00 H new ATOM 0 HB THR A 25 11.038 8.623 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.257 9.581 -9.040 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.104 7.249 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.775 6.714 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.276 7.672 -7.019 1.00 0.00 H new ATOM 393 N GLU A 26 8.717 10.929 -5.250 1.00 0.00 N ATOM 394 CA GLU A 26 7.477 11.454 -4.691 1.00 0.00 C ATOM 395 C GLU A 26 6.307 11.214 -5.641 1.00 0.00 C ATOM 396 O GLU A 26 6.125 11.945 -6.615 1.00 0.00 O ATOM 397 CB GLU A 26 7.615 12.950 -4.402 1.00 0.00 C ATOM 398 CG GLU A 26 6.481 13.515 -3.563 1.00 0.00 C ATOM 399 CD GLU A 26 6.751 14.932 -3.096 1.00 0.00 C ATOM 400 OE1 GLU A 26 6.406 15.877 -3.837 1.00 0.00 O ATOM 401 OE2 GLU A 26 7.307 15.097 -1.990 1.00 0.00 O ATOM 0 H GLU A 26 9.373 11.643 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 26 7.278 10.928 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.559 13.126 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.661 13.491 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.560 13.498 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.322 12.875 -2.695 1.00 0.00 H new ATOM 408 N ARG A 27 5.518 10.185 -5.351 1.00 0.00 N ATOM 409 CA ARG A 27 4.367 9.847 -6.180 1.00 0.00 C ATOM 410 C ARG A 27 3.068 9.993 -5.393 1.00 0.00 C ATOM 411 O ARG A 27 2.955 9.507 -4.267 1.00 0.00 O ATOM 412 CB ARG A 27 4.496 8.418 -6.711 1.00 0.00 C ATOM 413 CG ARG A 27 3.223 7.890 -7.352 1.00 0.00 C ATOM 414 CD ARG A 27 3.150 8.253 -8.827 1.00 0.00 C ATOM 415 NE ARG A 27 4.440 8.097 -9.494 1.00 0.00 N ATOM 416 CZ ARG A 27 4.986 6.919 -9.773 1.00 0.00 C ATOM 417 NH1 ARG A 27 4.356 5.799 -9.446 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.163 6.859 -10.382 1.00 0.00 N ATOM 0 H ARG A 27 5.655 9.571 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 27 4.342 10.539 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.303 8.383 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.780 7.759 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.180 6.807 -7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.356 8.298 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.409 7.623 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.811 9.284 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 27 4.950 8.939 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.450 5.841 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.777 4.895 -9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.650 7.718 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.581 5.953 -10.596 1.00 0.00 H new ATOM 432 N TRP A 28 2.092 10.665 -5.991 1.00 0.00 N ATOM 433 CA TRP A 28 0.801 10.876 -5.345 1.00 0.00 C ATOM 434 C TRP A 28 0.090 9.549 -5.105 1.00 0.00 C ATOM 435 O TRP A 28 -0.027 8.723 -6.011 1.00 0.00 O ATOM 436 CB TRP A 28 -0.077 11.792 -6.200 1.00 0.00 C ATOM 437 CG TRP A 28 -1.241 12.367 -5.451 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.565 12.130 -5.688 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.185 13.276 -4.347 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.335 12.837 -4.796 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.512 13.547 -3.963 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.142 13.885 -3.643 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.822 14.402 -2.908 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.451 14.733 -2.597 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.782 14.985 -2.237 1.00 0.00 C ATOM 0 H TRP A 28 2.169 11.074 -6.922 1.00 0.00 H new ATOM 0 HA TRP A 28 0.978 11.352 -4.381 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.533 12.607 -6.591 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.447 11.231 -7.058 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.950 11.483 -6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.354 12.834 -4.760 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.887 13.696 -3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.847 14.598 -2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.347 15.210 -2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.991 15.652 -1.414 1.00 0.00 H new ATOM 456 N PHE A 29 -0.383 9.350 -3.879 1.00 0.00 N ATOM 457 CA PHE A 29 -1.083 8.122 -3.520 1.00 0.00 C ATOM 458 C PHE A 29 -2.517 8.418 -3.092 1.00 0.00 C ATOM 459 O PHE A 29 -2.760 9.285 -2.252 1.00 0.00 O ATOM 460 CB PHE A 29 -0.342 7.398 -2.394 1.00 0.00 C ATOM 461 CG PHE A 29 0.724 6.460 -2.883 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.020 6.906 -3.084 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.429 5.131 -3.143 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.003 6.045 -3.534 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.408 4.265 -3.593 1.00 0.00 C ATOM 466 CZ PHE A 29 2.697 4.723 -3.790 1.00 0.00 C ATOM 0 H PHE A 29 -0.294 10.023 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.111 7.479 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.111 8.138 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.062 6.838 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.265 7.939 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.577 4.768 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.010 6.406 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.166 3.231 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.463 4.049 -4.143 1.00 0.00 H new ATOM 476 N VAL A 30 -3.465 7.691 -3.677 1.00 0.00 N ATOM 477 CA VAL A 30 -4.875 7.875 -3.356 1.00 0.00 C ATOM 478 C VAL A 30 -5.452 6.634 -2.685 1.00 0.00 C ATOM 479 O VAL A 30 -5.875 5.691 -3.356 1.00 0.00 O ATOM 480 CB VAL A 30 -5.700 8.194 -4.617 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.176 8.323 -4.272 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.187 9.462 -5.283 1.00 0.00 C ATOM 0 H VAL A 30 -3.282 6.970 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.936 8.718 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.587 7.370 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.742 8.548 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.533 7.386 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.312 9.127 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.781 9.672 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.268 10.297 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.144 9.327 -5.568 1.00 0.00 H new ATOM 492 N LEU A 31 -5.468 6.639 -1.357 1.00 0.00 N ATOM 493 CA LEU A 31 -5.994 5.513 -0.593 1.00 0.00 C ATOM 494 C LEU A 31 -7.513 5.438 -0.711 1.00 0.00 C ATOM 495 O LEU A 31 -8.236 6.174 -0.038 1.00 0.00 O ATOM 496 CB LEU A 31 -5.591 5.636 0.877 1.00 0.00 C ATOM 497 CG LEU A 31 -6.354 4.746 1.859 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.241 3.285 1.454 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.837 4.950 3.276 1.00 0.00 C ATOM 0 H LEU A 31 -5.123 7.411 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.570 4.597 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.528 5.409 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.720 6.674 1.183 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.406 5.028 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.790 2.667 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.660 3.150 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.192 2.989 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.391 4.309 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.778 4.695 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.971 5.992 3.566 1.00 0.00 H new ATOM 511 N LYS A 32 -7.992 4.543 -1.568 1.00 0.00 N ATOM 512 CA LYS A 32 -9.425 4.368 -1.772 1.00 0.00 C ATOM 513 C LYS A 32 -10.016 3.443 -0.713 1.00 0.00 C ATOM 514 O LYS A 32 -9.305 2.700 -0.037 1.00 0.00 O ATOM 515 CB LYS A 32 -9.697 3.802 -3.168 1.00 0.00 C ATOM 516 CG LYS A 32 -9.854 4.870 -4.237 1.00 0.00 C ATOM 517 CD LYS A 32 -11.180 5.600 -4.104 1.00 0.00 C ATOM 518 CE LYS A 32 -11.281 6.754 -5.090 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.386 6.275 -6.496 1.00 0.00 N ATOM 0 H LYS A 32 -7.408 3.927 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.901 5.344 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.879 3.138 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.603 3.196 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.035 5.585 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.787 4.411 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.000 4.902 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.288 5.978 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.152 7.363 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.405 7.395 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.521 7.088 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.514 5.773 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.197 5.630 -6.583 1.00 0.00 H new ATOM 533 N PRO A 33 -11.348 3.487 -0.565 1.00 0.00 N ATOM 534 CA PRO A 33 -12.064 2.658 0.409 1.00 0.00 C ATOM 535 C PRO A 33 -12.057 1.181 0.029 1.00 0.00 C ATOM 536 O PRO A 33 -12.186 0.309 0.887 1.00 0.00 O ATOM 537 CB PRO A 33 -13.490 3.214 0.367 1.00 0.00 C ATOM 538 CG PRO A 33 -13.621 3.820 -0.987 1.00 0.00 C ATOM 539 CD PRO A 33 -12.258 4.350 -1.337 1.00 0.00 C ATOM 0 HA PRO A 33 -11.604 2.700 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.227 2.426 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.649 3.956 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.951 3.080 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.362 4.619 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.064 4.283 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.151 5.398 -1.058 1.00 0.00 H new ATOM 547 N ASN A 34 -11.905 0.908 -1.263 1.00 0.00 N ATOM 548 CA ASN A 34 -11.881 -0.464 -1.756 1.00 0.00 C ATOM 549 C ASN A 34 -10.736 -0.668 -2.743 1.00 0.00 C ATOM 550 O ASN A 34 -10.790 -1.551 -3.599 1.00 0.00 O ATOM 551 CB ASN A 34 -13.213 -0.811 -2.425 1.00 0.00 C ATOM 552 CG ASN A 34 -14.399 -0.566 -1.513 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.484 0.468 -0.850 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.323 -1.520 -1.475 1.00 0.00 N ATOM 0 H ASN A 34 -11.797 1.618 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.726 -1.127 -0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.327 -0.217 -3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.202 -1.858 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.144 -1.412 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.212 -2.361 -2.042 1.00 0.00 H new ATOM 561 N ILE A 35 -9.700 0.155 -2.616 1.00 0.00 N ATOM 562 CA ILE A 35 -8.541 0.064 -3.495 1.00 0.00 C ATOM 563 C ILE A 35 -7.495 1.114 -3.137 1.00 0.00 C ATOM 564 O ILE A 35 -7.696 1.919 -2.227 1.00 0.00 O ATOM 565 CB ILE A 35 -8.940 0.236 -4.973 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.902 -0.422 -5.884 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.090 1.712 -5.312 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.497 -1.036 -7.132 1.00 0.00 C ATOM 0 H ILE A 35 -9.640 0.892 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.117 -0.930 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.900 -0.254 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.160 0.322 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.376 -1.195 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.372 1.818 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.862 2.153 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.143 2.223 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.704 -1.484 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.218 -1.804 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.998 -0.263 -7.714 1.00 0.00 H new ATOM 580 N ILE A 36 -6.380 1.101 -3.859 1.00 0.00 N ATOM 581 CA ILE A 36 -5.304 2.055 -3.618 1.00 0.00 C ATOM 582 C ILE A 36 -4.567 2.389 -4.911 1.00 0.00 C ATOM 583 O ILE A 36 -3.779 1.587 -5.414 1.00 0.00 O ATOM 584 CB ILE A 36 -4.293 1.515 -2.589 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.953 1.384 -1.215 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.076 2.426 -2.514 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.999 0.943 -0.126 1.00 0.00 C ATOM 0 H ILE A 36 -6.198 0.441 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.766 2.959 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.963 0.527 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.390 2.343 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.772 0.668 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.371 2.031 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.596 2.474 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.388 3.426 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.535 0.871 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.581 -0.031 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.193 1.670 -0.032 1.00 0.00 H new ATOM 599 N SER A 37 -4.826 3.579 -5.443 1.00 0.00 N ATOM 600 CA SER A 37 -4.189 4.019 -6.678 1.00 0.00 C ATOM 601 C SER A 37 -3.095 5.044 -6.390 1.00 0.00 C ATOM 602 O SER A 37 -2.963 5.527 -5.266 1.00 0.00 O ATOM 603 CB SER A 37 -5.228 4.619 -7.628 1.00 0.00 C ATOM 604 OG SER A 37 -4.648 4.945 -8.878 1.00 0.00 O ATOM 0 H SER A 37 -5.473 4.256 -5.038 1.00 0.00 H new ATOM 0 HA SER A 37 -3.733 3.150 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.043 3.910 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.661 5.513 -7.180 1.00 0.00 H new ATOM 0 HG SER A 37 -4.063 4.214 -9.168 1.00 0.00 H new ATOM 610 N TYR A 38 -2.315 5.369 -7.414 1.00 0.00 N ATOM 611 CA TYR A 38 -1.231 6.334 -7.272 1.00 0.00 C ATOM 612 C TYR A 38 -0.964 7.053 -8.592 1.00 0.00 C ATOM 613 O TYR A 38 -0.571 6.433 -9.580 1.00 0.00 O ATOM 614 CB TYR A 38 0.043 5.636 -6.793 1.00 0.00 C ATOM 615 CG TYR A 38 0.325 4.333 -7.508 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.289 3.152 -7.110 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.205 4.285 -8.582 1.00 0.00 C ATOM 618 CE1 TYR A 38 -0.034 1.961 -7.760 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.465 3.097 -9.239 1.00 0.00 C ATOM 620 CZ TYR A 38 0.844 1.938 -8.824 1.00 0.00 C ATOM 621 OH TYR A 38 1.100 0.753 -9.475 1.00 0.00 O ATOM 0 H TYR A 38 -2.413 4.979 -8.351 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.533 7.074 -6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.890 6.308 -6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.038 5.444 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.977 3.166 -6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.694 5.191 -8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.519 1.052 -7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.151 3.077 -10.073 1.00 0.00 H new ATOM 0 HH TYR A 38 1.739 0.910 -10.201 1.00 0.00 H new ATOM 631 N TYR A 39 -1.181 8.363 -8.598 1.00 0.00 N ATOM 632 CA TYR A 39 -0.967 9.167 -9.796 1.00 0.00 C ATOM 633 C TYR A 39 0.365 9.907 -9.723 1.00 0.00 C ATOM 634 O TYR A 39 0.848 10.236 -8.640 1.00 0.00 O ATOM 635 CB TYR A 39 -2.110 10.168 -9.975 1.00 0.00 C ATOM 636 CG TYR A 39 -3.479 9.527 -9.989 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.139 9.226 -8.803 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.113 9.221 -11.187 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.390 8.639 -8.811 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.364 8.636 -11.204 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.998 8.347 -10.013 1.00 0.00 C ATOM 642 OH TYR A 39 -7.244 7.763 -10.026 1.00 0.00 O ATOM 0 H TYR A 39 -1.505 8.891 -7.788 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.943 8.496 -10.654 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.069 10.901 -9.169 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.963 10.712 -10.908 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.666 9.455 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.619 9.444 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.888 8.410 -7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.843 8.406 -12.144 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.632 7.840 -10.923 1.00 0.00 H new ATOM 652 N VAL A 40 0.954 10.167 -10.886 1.00 0.00 N ATOM 653 CA VAL A 40 2.229 10.870 -10.957 1.00 0.00 C ATOM 654 C VAL A 40 2.266 12.042 -9.983 1.00 0.00 C ATOM 655 O VAL A 40 3.222 12.203 -9.225 1.00 0.00 O ATOM 656 CB VAL A 40 2.505 11.391 -12.380 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.826 12.144 -12.427 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.501 10.242 -13.378 1.00 0.00 C ATOM 0 H VAL A 40 0.568 9.901 -11.792 1.00 0.00 H new ATOM 0 HA VAL A 40 3.002 10.151 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 40 1.710 12.084 -12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.004 12.504 -13.440 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.786 12.991 -11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.636 11.477 -12.132 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.698 10.628 -14.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.274 9.523 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.528 9.751 -13.363 1.00 0.00 H new ATOM 668 N SER A 41 1.217 12.859 -10.009 1.00 0.00 N ATOM 669 CA SER A 41 1.130 14.019 -9.130 1.00 0.00 C ATOM 670 C SER A 41 -0.230 14.078 -8.440 1.00 0.00 C ATOM 671 O SER A 41 -1.048 13.169 -8.581 1.00 0.00 O ATOM 672 CB SER A 41 1.368 15.305 -9.923 1.00 0.00 C ATOM 673 OG SER A 41 0.281 15.578 -10.791 1.00 0.00 O ATOM 0 H SER A 41 0.416 12.739 -10.629 1.00 0.00 H new ATOM 0 HA SER A 41 1.902 13.923 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.507 16.139 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.286 15.214 -10.503 1.00 0.00 H new ATOM 0 HG SER A 41 0.522 16.310 -11.397 1.00 0.00 H new ATOM 679 N GLU A 42 -0.462 15.154 -7.695 1.00 0.00 N ATOM 680 CA GLU A 42 -1.722 15.330 -6.982 1.00 0.00 C ATOM 681 C GLU A 42 -2.785 15.932 -7.898 1.00 0.00 C ATOM 682 O GLU A 42 -3.637 16.702 -7.454 1.00 0.00 O ATOM 683 CB GLU A 42 -1.521 16.226 -5.759 1.00 0.00 C ATOM 684 CG GLU A 42 -1.302 17.689 -6.105 1.00 0.00 C ATOM 685 CD GLU A 42 -0.835 18.507 -4.916 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.250 18.195 -3.781 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.053 19.459 -5.122 1.00 0.00 O ATOM 0 H GLU A 42 0.205 15.916 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.064 14.349 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.393 16.142 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.664 15.864 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.564 17.763 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.231 18.111 -6.489 1.00 0.00 H new ATOM 694 N ASP A 43 -2.726 15.576 -9.176 1.00 0.00 N ATOM 695 CA ASP A 43 -3.683 16.080 -10.154 1.00 0.00 C ATOM 696 C ASP A 43 -4.822 15.087 -10.362 1.00 0.00 C ATOM 697 O ASP A 43 -5.967 15.478 -10.593 1.00 0.00 O ATOM 698 CB ASP A 43 -2.984 16.360 -11.486 1.00 0.00 C ATOM 699 CG ASP A 43 -1.978 17.490 -11.386 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.548 17.803 -10.256 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.621 18.060 -12.437 1.00 0.00 O ATOM 0 H ASP A 43 -2.026 14.941 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.102 17.010 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.478 15.456 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.731 16.608 -12.240 1.00 0.00 H new ATOM 706 N LEU A 44 -4.500 13.801 -10.281 1.00 0.00 N ATOM 707 CA LEU A 44 -5.496 12.750 -10.461 1.00 0.00 C ATOM 708 C LEU A 44 -5.957 12.680 -11.914 1.00 0.00 C ATOM 709 O LEU A 44 -7.145 12.516 -12.193 1.00 0.00 O ATOM 710 CB LEU A 44 -6.696 12.995 -9.545 1.00 0.00 C ATOM 711 CG LEU A 44 -6.372 13.328 -8.088 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.634 13.724 -7.337 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.694 12.147 -7.409 1.00 0.00 C ATOM 0 H LEU A 44 -3.557 13.461 -10.092 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.035 11.798 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.284 13.813 -9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.328 12.107 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.685 14.174 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.383 13.957 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.079 14.600 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.346 12.899 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.471 12.402 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.357 11.282 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.768 11.909 -7.932 1.00 0.00 H new ATOM 725 N LYS A 45 -5.008 12.802 -12.836 1.00 0.00 N ATOM 726 CA LYS A 45 -5.314 12.748 -14.261 1.00 0.00 C ATOM 727 C LYS A 45 -4.595 11.581 -14.928 1.00 0.00 C ATOM 728 O LYS A 45 -5.163 10.895 -15.779 1.00 0.00 O ATOM 729 CB LYS A 45 -4.916 14.061 -14.938 1.00 0.00 C ATOM 730 CG LYS A 45 -5.607 15.281 -14.355 1.00 0.00 C ATOM 731 CD LYS A 45 -5.631 16.435 -15.343 1.00 0.00 C ATOM 732 CE LYS A 45 -6.900 16.426 -16.181 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.716 15.686 -17.460 1.00 0.00 N ATOM 0 H LYS A 45 -4.020 12.939 -12.622 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.388 12.600 -14.372 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.837 14.191 -14.854 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.148 13.996 -16.001 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.627 15.022 -14.072 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.093 15.591 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.557 17.379 -14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.761 16.373 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.709 15.969 -15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.201 17.452 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.470 15.950 -18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.792 15.927 -17.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.758 14.663 -17.278 1.00 0.00 H new ATOM 747 N ASP A 46 -3.346 11.359 -14.537 1.00 0.00 N ATOM 748 CA ASP A 46 -2.550 10.273 -15.096 1.00 0.00 C ATOM 749 C ASP A 46 -2.310 9.184 -14.055 1.00 0.00 C ATOM 750 O ASP A 46 -1.511 9.354 -13.134 1.00 0.00 O ATOM 751 CB ASP A 46 -1.212 10.805 -15.613 1.00 0.00 C ATOM 752 CG ASP A 46 -0.680 9.997 -16.780 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.765 8.753 -16.728 1.00 0.00 O ATOM 754 OD2 ASP A 46 -0.179 10.610 -17.747 1.00 0.00 O ATOM 0 H ASP A 46 -2.862 11.917 -13.834 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.105 9.840 -15.928 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.331 11.844 -15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.482 10.793 -14.804 1.00 0.00 H new ATOM 759 N LYS A 47 -3.009 8.063 -14.206 1.00 0.00 N ATOM 760 CA LYS A 47 -2.873 6.945 -13.280 1.00 0.00 C ATOM 761 C LYS A 47 -1.652 6.099 -13.625 1.00 0.00 C ATOM 762 O LYS A 47 -1.228 6.042 -14.780 1.00 0.00 O ATOM 763 CB LYS A 47 -4.133 6.077 -13.308 1.00 0.00 C ATOM 764 CG LYS A 47 -4.165 5.017 -12.221 1.00 0.00 C ATOM 765 CD LYS A 47 -5.551 4.412 -12.074 1.00 0.00 C ATOM 766 CE LYS A 47 -6.496 5.355 -11.346 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.909 5.169 -11.780 1.00 0.00 N ATOM 0 H LYS A 47 -3.676 7.905 -14.962 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.741 7.350 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.008 6.718 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.208 5.591 -14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.447 4.231 -12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.857 5.457 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.954 4.180 -13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.482 3.471 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.421 5.186 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.193 6.386 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.522 5.830 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.986 5.355 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.207 4.193 -11.582 1.00 0.00 H new ATOM 781 N LYS A 48 -1.090 5.441 -12.617 1.00 0.00 N ATOM 782 CA LYS A 48 0.081 4.594 -12.813 1.00 0.00 C ATOM 783 C LYS A 48 -0.258 3.129 -12.560 1.00 0.00 C ATOM 784 O LYS A 48 0.274 2.236 -13.218 1.00 0.00 O ATOM 785 CB LYS A 48 1.215 5.034 -11.884 1.00 0.00 C ATOM 786 CG LYS A 48 2.052 6.172 -12.442 1.00 0.00 C ATOM 787 CD LYS A 48 2.908 5.714 -13.610 1.00 0.00 C ATOM 788 CE LYS A 48 3.874 6.802 -14.054 1.00 0.00 C ATOM 789 NZ LYS A 48 3.271 7.694 -15.082 1.00 0.00 N ATOM 0 H LYS A 48 -1.427 5.478 -11.655 1.00 0.00 H new ATOM 0 HA LYS A 48 0.405 4.700 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.791 5.341 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.863 4.180 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.398 6.982 -12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.692 6.573 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.468 4.823 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.266 5.433 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.175 7.395 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.777 6.343 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.845 8.556 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.241 7.199 -15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.305 7.951 -14.795 1.00 0.00 H new ATOM 803 N GLY A 49 -1.150 2.889 -11.603 1.00 0.00 N ATOM 804 CA GLY A 49 -1.545 1.530 -11.282 1.00 0.00 C ATOM 805 C GLY A 49 -2.617 1.476 -10.211 1.00 0.00 C ATOM 806 O GLY A 49 -2.876 2.470 -9.532 1.00 0.00 O ATOM 0 H GLY A 49 -1.606 3.611 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.911 1.039 -12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.672 0.971 -10.946 1.00 0.00 H new ATOM 810 N ASP A 50 -3.242 0.314 -10.060 1.00 0.00 N ATOM 811 CA ASP A 50 -4.292 0.135 -9.064 1.00 0.00 C ATOM 812 C ASP A 50 -4.023 -1.098 -8.206 1.00 0.00 C ATOM 813 O ASP A 50 -3.862 -2.203 -8.724 1.00 0.00 O ATOM 814 CB ASP A 50 -5.655 0.008 -9.746 1.00 0.00 C ATOM 815 CG ASP A 50 -5.568 -0.689 -11.089 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.753 -1.626 -11.219 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.314 -0.298 -12.011 1.00 0.00 O ATOM 0 H ASP A 50 -3.040 -0.518 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.298 1.012 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.333 -0.545 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.084 1.001 -9.882 1.00 0.00 H new ATOM 822 N ILE A 51 -3.974 -0.899 -6.893 1.00 0.00 N ATOM 823 CA ILE A 51 -3.724 -1.994 -5.964 1.00 0.00 C ATOM 824 C ILE A 51 -5.027 -2.525 -5.376 1.00 0.00 C ATOM 825 O ILE A 51 -5.557 -1.970 -4.412 1.00 0.00 O ATOM 826 CB ILE A 51 -2.795 -1.558 -4.816 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.474 -1.025 -5.374 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.545 -2.719 -3.866 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.717 -0.149 -4.400 1.00 0.00 C ATOM 0 H ILE A 51 -4.104 0.010 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.237 -2.785 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.282 -0.757 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.843 -1.867 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.675 -0.456 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.887 -2.394 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.493 -3.056 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.076 -3.539 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.209 0.193 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.329 0.712 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.484 -0.721 -3.502 1.00 0.00 H new ATOM 841 N LEU A 52 -5.538 -3.602 -5.960 1.00 0.00 N ATOM 842 CA LEU A 52 -6.779 -4.210 -5.493 1.00 0.00 C ATOM 843 C LEU A 52 -6.664 -4.629 -4.031 1.00 0.00 C ATOM 844 O LEU A 52 -5.947 -5.575 -3.700 1.00 0.00 O ATOM 845 CB LEU A 52 -7.133 -5.423 -6.356 1.00 0.00 C ATOM 846 CG LEU A 52 -7.164 -5.185 -7.867 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.114 -6.507 -8.616 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.405 -4.396 -8.257 1.00 0.00 C ATOM 0 H LEU A 52 -5.112 -4.073 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.572 -3.467 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.413 -6.215 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.111 -5.792 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.285 -4.601 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.137 -6.318 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.196 -7.036 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.973 -7.116 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.410 -4.236 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.296 -4.953 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.399 -3.433 -7.747 1.00 0.00 H new ATOM 860 N LEU A 53 -7.375 -3.921 -3.160 1.00 0.00 N ATOM 861 CA LEU A 53 -7.354 -4.221 -1.733 1.00 0.00 C ATOM 862 C LEU A 53 -8.213 -5.441 -1.420 1.00 0.00 C ATOM 863 O LEU A 53 -9.335 -5.566 -1.912 1.00 0.00 O ATOM 864 CB LEU A 53 -7.849 -3.015 -0.932 1.00 0.00 C ATOM 865 CG LEU A 53 -6.825 -1.908 -0.683 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.480 -0.718 0.001 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.665 -2.432 0.151 1.00 0.00 C ATOM 0 H LEU A 53 -7.973 -3.136 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.325 -4.442 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.702 -2.582 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.213 -3.369 0.032 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.435 -1.578 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.735 0.060 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.276 -0.327 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.899 -1.033 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.946 -1.630 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.039 -2.790 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.178 -3.252 -0.377 1.00 0.00 H new ATOM 879 N ASP A 54 -7.680 -6.339 -0.598 1.00 0.00 N ATOM 880 CA ASP A 54 -8.400 -7.548 -0.217 1.00 0.00 C ATOM 881 C ASP A 54 -7.886 -8.089 1.114 1.00 0.00 C ATOM 882 O ASP A 54 -6.705 -7.958 1.434 1.00 0.00 O ATOM 883 CB ASP A 54 -8.258 -8.616 -1.303 1.00 0.00 C ATOM 884 CG ASP A 54 -6.816 -9.023 -1.530 1.00 0.00 C ATOM 885 OD1 ASP A 54 -5.914 -8.227 -1.195 1.00 0.00 O ATOM 886 OD2 ASP A 54 -6.588 -10.139 -2.042 1.00 0.00 O ATOM 0 H ASP A 54 -6.752 -6.252 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.454 -7.293 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.840 -9.494 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.677 -8.239 -2.236 1.00 0.00 H new ATOM 891 N GLU A 55 -8.783 -8.695 1.887 1.00 0.00 N ATOM 892 CA GLU A 55 -8.420 -9.253 3.184 1.00 0.00 C ATOM 893 C GLU A 55 -7.002 -9.815 3.157 1.00 0.00 C ATOM 894 O GLU A 55 -6.244 -9.664 4.114 1.00 0.00 O ATOM 895 CB GLU A 55 -9.408 -10.350 3.587 1.00 0.00 C ATOM 896 CG GLU A 55 -9.514 -11.476 2.572 1.00 0.00 C ATOM 897 CD GLU A 55 -10.801 -12.265 2.709 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.838 -13.201 3.535 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.772 -11.947 1.991 1.00 0.00 O ATOM 0 H GLU A 55 -9.765 -8.812 1.637 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.460 -8.450 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.104 -10.766 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.393 -9.906 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.452 -11.061 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.665 -12.149 2.692 1.00 0.00 H new ATOM 906 N ASN A 56 -6.651 -10.466 2.052 1.00 0.00 N ATOM 907 CA ASN A 56 -5.324 -11.053 1.900 1.00 0.00 C ATOM 908 C ASN A 56 -4.238 -9.995 2.073 1.00 0.00 C ATOM 909 O ASN A 56 -3.381 -10.108 2.949 1.00 0.00 O ATOM 910 CB ASN A 56 -5.192 -11.716 0.527 1.00 0.00 C ATOM 911 CG ASN A 56 -6.387 -12.585 0.188 1.00 0.00 C ATOM 912 OD1 ASN A 56 -7.363 -12.117 -0.398 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.315 -13.859 0.556 1.00 0.00 N ATOM 0 H ASN A 56 -7.266 -10.600 1.250 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.197 -11.809 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.078 -10.946 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.287 -12.323 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.089 -14.493 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.486 -14.204 1.040 1.00 0.00 H new ATOM 920 N CYS A 57 -4.282 -8.967 1.231 1.00 0.00 N ATOM 921 CA CYS A 57 -3.303 -7.889 1.290 1.00 0.00 C ATOM 922 C CYS A 57 -3.235 -7.291 2.692 1.00 0.00 C ATOM 923 O CYS A 57 -4.208 -7.340 3.447 1.00 0.00 O ATOM 924 CB CYS A 57 -3.653 -6.798 0.276 1.00 0.00 C ATOM 925 SG CYS A 57 -3.297 -7.249 -1.453 1.00 0.00 S ATOM 0 H CYS A 57 -4.985 -8.859 0.500 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.326 -8.306 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.712 -6.558 0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.099 -5.893 0.526 1.00 0.00 H new ATOM 930 N CYS A 58 -2.082 -6.728 3.034 1.00 0.00 N ATOM 931 CA CYS A 58 -1.886 -6.121 4.346 1.00 0.00 C ATOM 932 C CYS A 58 -0.679 -5.189 4.340 1.00 0.00 C ATOM 933 O CYS A 58 0.160 -5.248 3.440 1.00 0.00 O ATOM 934 CB CYS A 58 -1.703 -7.205 5.410 1.00 0.00 C ATOM 935 SG CYS A 58 -2.222 -6.706 7.069 1.00 0.00 S ATOM 0 H CYS A 58 -1.268 -6.679 2.421 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.773 -5.534 4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.269 -8.088 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.653 -7.495 5.441 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.031 -7.689 7.898 1.00 0.00 H new ATOM 941 N VAL A 59 -0.599 -4.326 5.348 1.00 0.00 N ATOM 942 CA VAL A 59 0.505 -3.380 5.458 1.00 0.00 C ATOM 943 C VAL A 59 1.389 -3.704 6.657 1.00 0.00 C ATOM 944 O VAL A 59 0.893 -4.028 7.736 1.00 0.00 O ATOM 945 CB VAL A 59 -0.007 -1.933 5.588 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.894 -1.788 6.815 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.159 -0.959 5.644 1.00 0.00 C ATOM 0 H VAL A 59 -1.285 -4.263 6.100 1.00 0.00 H new ATOM 0 HA VAL A 59 1.091 -3.470 4.543 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.605 -1.697 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.246 -0.759 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.749 -2.459 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.324 -2.042 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.779 0.059 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.786 -1.191 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.749 -1.045 4.732 1.00 0.00 H new ATOM 957 N GLU A 60 2.700 -3.613 6.461 1.00 0.00 N ATOM 958 CA GLU A 60 3.654 -3.897 7.527 1.00 0.00 C ATOM 959 C GLU A 60 4.708 -2.798 7.621 1.00 0.00 C ATOM 960 O GLU A 60 5.105 -2.216 6.612 1.00 0.00 O ATOM 961 CB GLU A 60 4.330 -5.249 7.290 1.00 0.00 C ATOM 962 CG GLU A 60 5.160 -5.299 6.018 1.00 0.00 C ATOM 963 CD GLU A 60 6.597 -4.869 6.242 1.00 0.00 C ATOM 964 OE1 GLU A 60 7.178 -5.255 7.278 1.00 0.00 O ATOM 965 OE2 GLU A 60 7.140 -4.146 5.380 1.00 0.00 O ATOM 0 H GLU A 60 3.126 -3.345 5.574 1.00 0.00 H new ATOM 0 HA GLU A 60 3.107 -3.933 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.971 -5.480 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.566 -6.025 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.146 -6.313 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.705 -4.655 5.266 1.00 0.00 H new ATOM 972 N SER A 61 5.157 -2.520 8.841 1.00 0.00 N ATOM 973 CA SER A 61 6.162 -1.488 9.069 1.00 0.00 C ATOM 974 C SER A 61 7.566 -2.034 8.828 1.00 0.00 C ATOM 975 O SER A 61 7.894 -3.143 9.251 1.00 0.00 O ATOM 976 CB SER A 61 6.051 -0.944 10.495 1.00 0.00 C ATOM 977 OG SER A 61 4.703 -0.671 10.833 1.00 0.00 O ATOM 0 H SER A 61 4.841 -2.995 9.687 1.00 0.00 H new ATOM 0 HA SER A 61 5.981 -0.677 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.466 -1.667 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.644 -0.034 10.588 1.00 0.00 H new ATOM 0 HG SER A 61 4.659 -0.326 11.749 1.00 0.00 H new ATOM 983 N LEU A 62 8.390 -1.248 8.145 1.00 0.00 N ATOM 984 CA LEU A 62 9.760 -1.651 7.847 1.00 0.00 C ATOM 985 C LEU A 62 10.747 -0.960 8.783 1.00 0.00 C ATOM 986 O LEU A 62 10.489 0.123 9.307 1.00 0.00 O ATOM 987 CB LEU A 62 10.104 -1.324 6.393 1.00 0.00 C ATOM 988 CG LEU A 62 9.467 -2.224 5.334 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.756 -1.693 3.938 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.970 -3.653 5.476 1.00 0.00 C ATOM 0 H LEU A 62 8.134 -0.328 7.787 1.00 0.00 H new ATOM 0 HA LEU A 62 9.837 -2.728 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.806 -0.295 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.187 -1.371 6.277 1.00 0.00 H new ATOM 0 HG LEU A 62 8.388 -2.222 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.295 -2.346 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.347 -0.687 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.833 -1.664 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.506 -4.279 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.053 -3.672 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.712 -4.033 6.465 1.00 0.00 H new ATOM 1002 N PRO A 63 11.907 -1.600 8.997 1.00 0.00 N ATOM 1003 CA PRO A 63 12.957 -1.064 9.868 1.00 0.00 C ATOM 1004 C PRO A 63 13.633 0.166 9.271 1.00 0.00 C ATOM 1005 O PRO A 63 13.171 0.717 8.272 1.00 0.00 O ATOM 1006 CB PRO A 63 13.953 -2.222 9.976 1.00 0.00 C ATOM 1007 CG PRO A 63 13.743 -3.019 8.735 1.00 0.00 C ATOM 1008 CD PRO A 63 12.281 -2.895 8.405 1.00 0.00 C ATOM 0 HA PRO A 63 12.561 -0.733 10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.978 -1.858 10.044 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.768 -2.821 10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.360 -2.642 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.021 -4.062 8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.109 -2.910 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.702 -3.714 8.831 1.00 0.00 H new ATOM 1016 N ASP A 64 14.730 0.590 9.889 1.00 0.00 N ATOM 1017 CA ASP A 64 15.470 1.755 9.418 1.00 0.00 C ATOM 1018 C ASP A 64 16.541 1.347 8.411 1.00 0.00 C ATOM 1019 O ASP A 64 17.536 0.715 8.768 1.00 0.00 O ATOM 1020 CB ASP A 64 16.114 2.488 10.597 1.00 0.00 C ATOM 1021 CG ASP A 64 16.834 1.545 11.541 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.917 1.047 11.169 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.315 1.306 12.651 1.00 0.00 O ATOM 0 H ASP A 64 15.126 0.145 10.717 1.00 0.00 H new ATOM 0 HA ASP A 64 14.767 2.426 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.819 3.228 10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.346 3.031 11.147 1.00 0.00 H new ATOM 1028 N LYS A 65 16.330 1.711 7.151 1.00 0.00 N ATOM 1029 CA LYS A 65 17.276 1.384 6.091 1.00 0.00 C ATOM 1030 C LYS A 65 17.511 2.586 5.181 1.00 0.00 C ATOM 1031 O LYS A 65 16.859 3.620 5.323 1.00 0.00 O ATOM 1032 CB LYS A 65 16.762 0.201 5.267 1.00 0.00 C ATOM 1033 CG LYS A 65 15.584 0.548 4.374 1.00 0.00 C ATOM 1034 CD LYS A 65 14.995 -0.691 3.721 1.00 0.00 C ATOM 1035 CE LYS A 65 13.900 -1.306 4.578 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.556 -2.685 4.134 1.00 0.00 N ATOM 0 H LYS A 65 15.511 2.233 6.839 1.00 0.00 H new ATOM 0 HA LYS A 65 18.223 1.111 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.575 -0.181 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.470 -0.603 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.816 1.050 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.905 1.249 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.590 -0.430 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.783 -1.425 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.224 -1.330 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.010 -0.678 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.124 -3.206 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.884 -2.637 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.419 -3.176 3.826 1.00 0.00 H new ATOM 1050 N ASP A 66 18.446 2.442 4.248 1.00 0.00 N ATOM 1051 CA ASP A 66 18.765 3.515 3.314 1.00 0.00 C ATOM 1052 C ASP A 66 18.679 4.876 3.999 1.00 0.00 C ATOM 1053 O ASP A 66 18.234 5.855 3.402 1.00 0.00 O ATOM 1054 CB ASP A 66 17.818 3.474 2.114 1.00 0.00 C ATOM 1055 CG ASP A 66 18.054 4.620 1.150 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.058 4.574 0.407 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.236 5.562 1.138 1.00 0.00 O ATOM 0 H ASP A 66 18.996 1.593 4.119 1.00 0.00 H new ATOM 0 HA ASP A 66 19.787 3.368 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.945 2.528 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.787 3.507 2.467 1.00 0.00 H new ATOM 1062 N GLY A 67 19.107 4.927 5.257 1.00 0.00 N ATOM 1063 CA GLY A 67 19.068 6.172 6.003 1.00 0.00 C ATOM 1064 C GLY A 67 17.659 6.702 6.173 1.00 0.00 C ATOM 1065 O GLY A 67 17.362 7.834 5.789 1.00 0.00 O ATOM 0 H GLY A 67 19.480 4.130 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.516 6.018 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.674 6.919 5.490 1.00 0.00 H new ATOM 1069 N LYS A 68 16.785 5.883 6.748 1.00 0.00 N ATOM 1070 CA LYS A 68 15.398 6.275 6.969 1.00 0.00 C ATOM 1071 C LYS A 68 15.060 6.265 8.456 1.00 0.00 C ATOM 1072 O LYS A 68 15.916 5.988 9.297 1.00 0.00 O ATOM 1073 CB LYS A 68 14.455 5.334 6.215 1.00 0.00 C ATOM 1074 CG LYS A 68 14.488 5.520 4.708 1.00 0.00 C ATOM 1075 CD LYS A 68 13.762 6.786 4.286 1.00 0.00 C ATOM 1076 CE LYS A 68 13.966 7.079 2.807 1.00 0.00 C ATOM 1077 NZ LYS A 68 15.351 7.546 2.520 1.00 0.00 N ATOM 0 H LYS A 68 17.013 4.942 7.070 1.00 0.00 H new ATOM 0 HA LYS A 68 15.269 7.289 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.718 4.303 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.437 5.492 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.523 5.563 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.029 4.658 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.697 6.682 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.122 7.628 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.758 6.180 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.253 7.838 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.315 8.378 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.823 7.801 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.884 6.785 2.052 1.00 0.00 H new ATOM 1091 N LYS A 69 13.806 6.569 8.775 1.00 0.00 N ATOM 1092 CA LYS A 69 13.353 6.593 10.161 1.00 0.00 C ATOM 1093 C LYS A 69 12.016 5.874 10.309 1.00 0.00 C ATOM 1094 O LYS A 69 11.822 5.089 11.238 1.00 0.00 O ATOM 1095 CB LYS A 69 13.225 8.037 10.652 1.00 0.00 C ATOM 1096 CG LYS A 69 14.527 8.816 10.596 1.00 0.00 C ATOM 1097 CD LYS A 69 14.735 9.458 9.234 1.00 0.00 C ATOM 1098 CE LYS A 69 15.895 10.441 9.252 1.00 0.00 C ATOM 1099 NZ LYS A 69 15.851 11.373 8.092 1.00 0.00 N ATOM 0 H LYS A 69 13.085 6.802 8.092 1.00 0.00 H new ATOM 0 HA LYS A 69 14.094 6.073 10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.477 8.552 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.858 8.032 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.524 9.587 11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.361 8.149 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.925 8.684 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.824 9.974 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.871 11.014 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.836 9.892 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.658 12.027 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.900 10.829 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.964 11.916 8.116 1.00 0.00 H new ATOM 1113 N CYS A 70 11.099 6.145 9.387 1.00 0.00 N ATOM 1114 CA CYS A 70 9.780 5.522 9.415 1.00 0.00 C ATOM 1115 C CYS A 70 9.405 4.982 8.039 1.00 0.00 C ATOM 1116 O CYS A 70 8.912 5.718 7.184 1.00 0.00 O ATOM 1117 CB CYS A 70 8.728 6.528 9.885 1.00 0.00 C ATOM 1118 SG CYS A 70 8.899 7.020 11.617 1.00 0.00 S ATOM 0 H CYS A 70 11.244 6.791 8.611 1.00 0.00 H new ATOM 0 HA CYS A 70 9.814 4.688 10.116 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.786 7.418 9.258 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.738 6.098 9.737 1.00 0.00 H new ATOM 0 HG CYS A 70 7.966 7.874 11.920 1.00 0.00 H new ATOM 1124 N LEU A 71 9.642 3.691 7.832 1.00 0.00 N ATOM 1125 CA LEU A 71 9.331 3.051 6.559 1.00 0.00 C ATOM 1126 C LEU A 71 8.187 2.054 6.716 1.00 0.00 C ATOM 1127 O LEU A 71 8.032 1.432 7.767 1.00 0.00 O ATOM 1128 CB LEU A 71 10.568 2.341 6.006 1.00 0.00 C ATOM 1129 CG LEU A 71 11.610 3.236 5.332 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.923 2.489 5.159 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.096 3.734 3.989 1.00 0.00 C ATOM 0 H LEU A 71 10.048 3.067 8.529 1.00 0.00 H new ATOM 0 HA LEU A 71 9.021 3.826 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.052 1.806 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.241 1.592 5.285 1.00 0.00 H new ATOM 0 HG LEU A 71 11.789 4.099 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.652 3.141 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.299 2.183 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.761 1.607 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.850 4.369 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.888 2.883 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.181 4.307 4.139 1.00 0.00 H new ATOM 1143 N PHE A 72 7.389 1.906 5.663 1.00 0.00 N ATOM 1144 CA PHE A 72 6.260 0.984 5.684 1.00 0.00 C ATOM 1145 C PHE A 72 6.004 0.407 4.294 1.00 0.00 C ATOM 1146 O PHE A 72 5.936 1.140 3.307 1.00 0.00 O ATOM 1147 CB PHE A 72 5.004 1.693 6.193 1.00 0.00 C ATOM 1148 CG PHE A 72 4.369 2.594 5.172 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.606 2.067 4.143 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.535 3.968 5.243 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.020 2.894 3.202 1.00 0.00 C ATOM 1152 CE2 PHE A 72 3.952 4.799 4.305 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.194 4.261 3.283 1.00 0.00 C ATOM 0 H PHE A 72 7.504 2.413 4.785 1.00 0.00 H new ATOM 0 HA PHE A 72 6.505 0.165 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.277 0.945 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.260 2.280 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.467 0.998 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.126 4.394 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.427 2.471 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.089 5.868 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.738 4.909 2.549 1.00 0.00 H new ATOM 1163 N LEU A 73 5.863 -0.912 4.225 1.00 0.00 N ATOM 1164 CA LEU A 73 5.615 -1.590 2.957 1.00 0.00 C ATOM 1165 C LEU A 73 4.349 -2.438 3.032 1.00 0.00 C ATOM 1166 O LEU A 73 3.989 -2.943 4.095 1.00 0.00 O ATOM 1167 CB LEU A 73 6.810 -2.469 2.584 1.00 0.00 C ATOM 1168 CG LEU A 73 6.600 -3.421 1.406 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.918 -3.690 0.696 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.972 -4.724 1.879 1.00 0.00 C ATOM 0 H LEU A 73 5.916 -1.534 5.032 1.00 0.00 H new ATOM 0 HA LEU A 73 5.477 -0.830 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.655 -1.820 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.088 -3.059 3.457 1.00 0.00 H new ATOM 0 HG LEU A 73 5.919 -2.948 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.749 -4.369 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.329 -2.752 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.622 -4.142 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.830 -5.389 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.628 -5.201 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.007 -4.516 2.342 1.00 0.00 H new ATOM 1182 N VAL A 74 3.678 -2.592 1.894 1.00 0.00 N ATOM 1183 CA VAL A 74 2.455 -3.382 1.830 1.00 0.00 C ATOM 1184 C VAL A 74 2.705 -4.729 1.162 1.00 0.00 C ATOM 1185 O VAL A 74 3.266 -4.799 0.068 1.00 0.00 O ATOM 1186 CB VAL A 74 1.347 -2.638 1.060 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.120 -3.523 0.903 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.990 -1.338 1.764 1.00 0.00 C ATOM 0 H VAL A 74 3.961 -2.180 1.005 1.00 0.00 H new ATOM 0 HA VAL A 74 2.129 -3.544 2.857 1.00 0.00 H new ATOM 0 HB VAL A 74 1.720 -2.395 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.652 -2.981 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.389 -4.424 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.258 -3.799 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.206 -0.826 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.636 -1.555 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.872 -0.700 1.819 1.00 0.00 H new ATOM 1198 N LYS A 75 2.285 -5.800 1.828 1.00 0.00 N ATOM 1199 CA LYS A 75 2.461 -7.148 1.299 1.00 0.00 C ATOM 1200 C LYS A 75 1.150 -7.687 0.737 1.00 0.00 C ATOM 1201 O LYS A 75 0.181 -7.882 1.471 1.00 0.00 O ATOM 1202 CB LYS A 75 2.982 -8.083 2.393 1.00 0.00 C ATOM 1203 CG LYS A 75 3.060 -9.537 1.964 1.00 0.00 C ATOM 1204 CD LYS A 75 4.359 -9.833 1.232 1.00 0.00 C ATOM 1205 CE LYS A 75 5.479 -10.177 2.202 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.388 -11.585 2.679 1.00 0.00 N ATOM 0 H LYS A 75 1.820 -5.761 2.735 1.00 0.00 H new ATOM 0 HA LYS A 75 3.191 -7.102 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.973 -7.750 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.333 -8.005 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.980 -10.181 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.215 -9.772 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.208 -10.662 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.647 -8.968 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.442 -10.020 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.440 -9.501 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.169 -11.780 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.480 -11.729 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.451 -12.231 1.867 1.00 0.00 H new ATOM 1220 N CYS A 76 1.127 -7.928 -0.570 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.064 -8.447 -1.232 1.00 0.00 C ATOM 1222 C CYS A 76 0.164 -9.873 -1.724 1.00 0.00 C ATOM 1223 O CYS A 76 1.261 -10.417 -1.596 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.454 -7.546 -2.406 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.603 -6.204 -1.964 1.00 0.00 S ATOM 0 H CYS A 76 1.920 -7.772 -1.192 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.877 -8.458 -0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.450 -7.110 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.910 -8.158 -3.184 1.00 0.00 H new ATOM 1230 N PHE A 77 -0.879 -10.472 -2.289 1.00 0.00 N ATOM 1231 CA PHE A 77 -0.793 -11.835 -2.800 1.00 0.00 C ATOM 1232 C PHE A 77 0.630 -12.161 -3.242 1.00 0.00 C ATOM 1233 O PHE A 77 1.345 -12.906 -2.570 1.00 0.00 O ATOM 1234 CB PHE A 77 -1.759 -12.024 -3.972 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.125 -12.489 -3.554 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.282 -13.669 -2.845 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.251 -11.747 -3.872 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.537 -14.100 -2.459 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.509 -12.173 -3.488 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.652 -13.351 -2.782 1.00 0.00 C ATOM 0 H PHE A 77 -1.793 -10.035 -2.405 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.070 -12.517 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.854 -11.081 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.335 -12.747 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.414 -14.259 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.145 -10.826 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.646 -15.021 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.379 -11.585 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.634 -13.686 -2.483 1.00 0.00 H new ATOM 1250 N ASP A 78 1.035 -11.600 -4.376 1.00 0.00 N ATOM 1251 CA ASP A 78 2.373 -11.831 -4.908 1.00 0.00 C ATOM 1252 C ASP A 78 3.095 -10.509 -5.154 1.00 0.00 C ATOM 1253 O ASP A 78 4.323 -10.442 -5.106 1.00 0.00 O ATOM 1254 CB ASP A 78 2.297 -12.633 -6.208 1.00 0.00 C ATOM 1255 CG ASP A 78 1.938 -14.087 -5.970 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.828 -14.350 -5.461 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.768 -14.963 -6.293 1.00 0.00 O ATOM 0 H ASP A 78 0.456 -10.982 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 78 2.937 -12.402 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.556 -12.182 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.256 -12.578 -6.722 1.00 0.00 H new ATOM 1262 N LYS A 79 2.324 -9.460 -5.417 1.00 0.00 N ATOM 1263 CA LYS A 79 2.888 -8.139 -5.671 1.00 0.00 C ATOM 1264 C LYS A 79 3.177 -7.411 -4.362 1.00 0.00 C ATOM 1265 O LYS A 79 2.490 -7.616 -3.360 1.00 0.00 O ATOM 1266 CB LYS A 79 1.932 -7.309 -6.529 1.00 0.00 C ATOM 1267 CG LYS A 79 1.938 -7.698 -7.997 1.00 0.00 C ATOM 1268 CD LYS A 79 0.588 -7.443 -8.647 1.00 0.00 C ATOM 1269 CE LYS A 79 0.384 -8.322 -9.871 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.909 -8.034 -10.552 1.00 0.00 N ATOM 0 H LYS A 79 1.306 -9.499 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 79 3.827 -8.270 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.920 -7.416 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.199 -6.256 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.708 -7.132 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.196 -8.753 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.206 -7.633 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.514 -6.394 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.205 -8.167 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.412 -9.370 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.010 -8.654 -11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.695 -8.207 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.926 -7.040 -10.858 1.00 0.00 H new ATOM 1284 N THR A 80 4.197 -6.558 -4.376 1.00 0.00 N ATOM 1285 CA THR A 80 4.575 -5.799 -3.191 1.00 0.00 C ATOM 1286 C THR A 80 4.676 -4.310 -3.501 1.00 0.00 C ATOM 1287 O THR A 80 4.868 -3.917 -4.652 1.00 0.00 O ATOM 1288 CB THR A 80 5.920 -6.285 -2.619 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.910 -6.318 -3.653 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.777 -7.669 -2.002 1.00 0.00 C ATOM 0 H THR A 80 4.776 -6.376 -5.196 1.00 0.00 H new ATOM 0 HA THR A 80 3.793 -5.960 -2.449 1.00 0.00 H new ATOM 0 HB THR A 80 6.232 -5.588 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.762 -6.626 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.739 -7.991 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.045 -7.634 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.444 -8.374 -2.764 1.00 0.00 H new ATOM 1298 N PHE A 81 4.548 -3.485 -2.468 1.00 0.00 N ATOM 1299 CA PHE A 81 4.624 -2.038 -2.630 1.00 0.00 C ATOM 1300 C PHE A 81 5.356 -1.397 -1.455 1.00 0.00 C ATOM 1301 O PHE A 81 4.840 -1.353 -0.339 1.00 0.00 O ATOM 1302 CB PHE A 81 3.221 -1.442 -2.758 1.00 0.00 C ATOM 1303 CG PHE A 81 2.545 -1.775 -4.057 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.949 -3.011 -4.247 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.505 -0.851 -5.089 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.326 -3.320 -5.441 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.883 -1.154 -6.285 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.293 -2.390 -6.462 1.00 0.00 C ATOM 0 H PHE A 81 4.391 -3.794 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 81 5.184 -1.829 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.605 -1.803 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.285 -0.358 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.972 -3.742 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.965 0.117 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.865 -4.287 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.858 -0.425 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.807 -2.629 -7.396 1.00 0.00 H new ATOM 1318 N GLU A 82 6.562 -0.901 -1.715 1.00 0.00 N ATOM 1319 CA GLU A 82 7.365 -0.264 -0.678 1.00 0.00 C ATOM 1320 C GLU A 82 7.201 1.253 -0.718 1.00 0.00 C ATOM 1321 O GLU A 82 7.556 1.901 -1.703 1.00 0.00 O ATOM 1322 CB GLU A 82 8.841 -0.632 -0.847 1.00 0.00 C ATOM 1323 CG GLU A 82 9.691 -0.313 0.372 1.00 0.00 C ATOM 1324 CD GLU A 82 11.035 -1.014 0.345 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.508 -1.350 -0.760 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.614 -1.227 1.431 1.00 0.00 O ATOM 0 H GLU A 82 7.004 -0.928 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 82 7.016 -0.625 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.919 -1.697 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.243 -0.100 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.848 0.764 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.151 -0.604 1.273 1.00 0.00 H new ATOM 1333 N ILE A 83 6.659 1.811 0.359 1.00 0.00 N ATOM 1334 CA ILE A 83 6.447 3.250 0.449 1.00 0.00 C ATOM 1335 C ILE A 83 7.125 3.830 1.686 1.00 0.00 C ATOM 1336 O ILE A 83 7.306 3.139 2.688 1.00 0.00 O ATOM 1337 CB ILE A 83 4.947 3.597 0.488 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.220 2.948 -0.691 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.752 5.106 0.472 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.776 2.606 -0.396 1.00 0.00 C ATOM 0 H ILE A 83 6.359 1.288 1.182 1.00 0.00 H new ATOM 0 HA ILE A 83 6.890 3.690 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 83 4.522 3.205 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.258 3.622 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.749 2.039 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.687 5.336 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.241 5.545 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.189 5.520 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.323 2.149 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.731 1.907 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.232 3.515 -0.138 1.00 0.00 H new ATOM 1352 N SER A 84 7.495 5.104 1.608 1.00 0.00 N ATOM 1353 CA SER A 84 8.154 5.778 2.721 1.00 0.00 C ATOM 1354 C SER A 84 7.395 7.039 3.120 1.00 0.00 C ATOM 1355 O SER A 84 7.025 7.849 2.270 1.00 0.00 O ATOM 1356 CB SER A 84 9.595 6.132 2.349 1.00 0.00 C ATOM 1357 OG SER A 84 10.269 6.738 3.438 1.00 0.00 O ATOM 0 H SER A 84 7.350 5.690 0.786 1.00 0.00 H new ATOM 0 HA SER A 84 8.163 5.097 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.127 5.231 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.597 6.808 1.494 1.00 0.00 H new ATOM 0 HG SER A 84 11.047 7.233 3.107 1.00 0.00 H new ATOM 1363 N ALA A 85 7.166 7.199 4.419 1.00 0.00 N ATOM 1364 CA ALA A 85 6.453 8.362 4.932 1.00 0.00 C ATOM 1365 C ALA A 85 7.424 9.462 5.349 1.00 0.00 C ATOM 1366 O ALA A 85 8.640 9.292 5.269 1.00 0.00 O ATOM 1367 CB ALA A 85 5.569 7.964 6.105 1.00 0.00 C ATOM 0 H ALA A 85 7.464 6.537 5.136 1.00 0.00 H new ATOM 0 HA ALA A 85 5.824 8.753 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.042 8.842 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.844 7.218 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.186 7.546 6.900 1.00 0.00 H new ATOM 1373 N SER A 86 6.878 10.590 5.792 1.00 0.00 N ATOM 1374 CA SER A 86 7.696 11.719 6.217 1.00 0.00 C ATOM 1375 C SER A 86 7.977 11.654 7.715 1.00 0.00 C ATOM 1376 O SER A 86 9.128 11.722 8.146 1.00 0.00 O ATOM 1377 CB SER A 86 7.000 13.038 5.874 1.00 0.00 C ATOM 1378 OG SER A 86 7.684 14.139 6.446 1.00 0.00 O ATOM 0 H SER A 86 5.873 10.746 5.866 1.00 0.00 H new ATOM 0 HA SER A 86 8.646 11.668 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.953 13.157 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.972 13.016 6.237 1.00 0.00 H new ATOM 0 HG SER A 86 7.220 14.970 6.211 1.00 0.00 H new ATOM 1384 N ASP A 87 6.916 11.521 8.504 1.00 0.00 N ATOM 1385 CA ASP A 87 7.046 11.445 9.954 1.00 0.00 C ATOM 1386 C ASP A 87 6.118 10.380 10.528 1.00 0.00 C ATOM 1387 O ASP A 87 5.232 9.876 9.838 1.00 0.00 O ATOM 1388 CB ASP A 87 6.738 12.803 10.587 1.00 0.00 C ATOM 1389 CG ASP A 87 7.558 13.924 9.980 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.790 13.759 9.856 1.00 0.00 O ATOM 1391 OD2 ASP A 87 6.969 14.967 9.629 1.00 0.00 O ATOM 0 H ASP A 87 5.956 11.464 8.163 1.00 0.00 H new ATOM 0 HA ASP A 87 8.074 11.169 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.678 13.025 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.932 12.754 11.658 1.00 0.00 H new ATOM 1396 N LYS A 88 6.327 10.041 11.796 1.00 0.00 N ATOM 1397 CA LYS A 88 5.509 9.035 12.464 1.00 0.00 C ATOM 1398 C LYS A 88 4.029 9.255 12.170 1.00 0.00 C ATOM 1399 O LYS A 88 3.287 8.304 11.921 1.00 0.00 O ATOM 1400 CB LYS A 88 5.751 9.074 13.975 1.00 0.00 C ATOM 1401 CG LYS A 88 7.200 8.839 14.365 1.00 0.00 C ATOM 1402 CD LYS A 88 7.432 9.111 15.842 1.00 0.00 C ATOM 1403 CE LYS A 88 6.821 8.023 16.712 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.090 8.253 18.158 1.00 0.00 N ATOM 0 H LYS A 88 7.056 10.448 12.382 1.00 0.00 H new ATOM 0 HA LYS A 88 5.796 8.056 12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.432 10.042 14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.128 8.319 14.454 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.477 7.810 14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.847 9.483 13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.502 9.176 16.037 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.000 10.076 16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.745 7.986 16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.223 7.054 16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.657 7.490 18.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.117 8.263 18.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.684 9.166 18.446 1.00 0.00 H new ATOM 1418 N LYS A 89 3.605 10.514 12.199 1.00 0.00 N ATOM 1419 CA LYS A 89 2.214 10.859 11.933 1.00 0.00 C ATOM 1420 C LYS A 89 1.739 10.236 10.624 1.00 0.00 C ATOM 1421 O LYS A 89 0.794 9.447 10.607 1.00 0.00 O ATOM 1422 CB LYS A 89 2.046 12.379 11.876 1.00 0.00 C ATOM 1423 CG LYS A 89 0.615 12.825 11.630 1.00 0.00 C ATOM 1424 CD LYS A 89 0.360 14.215 12.188 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.126 14.542 12.211 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.381 15.925 12.700 1.00 0.00 N ATOM 0 H LYS A 89 4.205 11.313 12.404 1.00 0.00 H new ATOM 0 HA LYS A 89 1.606 10.462 12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.396 12.810 12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.682 12.777 11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.410 12.819 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.072 12.115 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.764 14.283 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.887 14.953 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.538 14.429 11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.645 13.829 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.404 16.110 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.010 16.025 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.907 16.607 12.075 1.00 0.00 H new ATOM 1440 N LYS A 90 2.402 10.594 9.529 1.00 0.00 N ATOM 1441 CA LYS A 90 2.050 10.068 8.215 1.00 0.00 C ATOM 1442 C LYS A 90 2.149 8.546 8.194 1.00 0.00 C ATOM 1443 O LYS A 90 1.166 7.852 7.935 1.00 0.00 O ATOM 1444 CB LYS A 90 2.965 10.664 7.143 1.00 0.00 C ATOM 1445 CG LYS A 90 2.401 11.914 6.490 1.00 0.00 C ATOM 1446 CD LYS A 90 2.262 13.051 7.488 1.00 0.00 C ATOM 1447 CE LYS A 90 3.507 13.923 7.517 1.00 0.00 C ATOM 1448 NZ LYS A 90 4.496 13.445 8.522 1.00 0.00 N ATOM 0 H LYS A 90 3.186 11.246 9.526 1.00 0.00 H new ATOM 0 HA LYS A 90 1.019 10.350 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.930 10.902 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.147 9.913 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.052 12.224 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.427 11.690 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.396 13.660 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.079 12.643 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.968 13.931 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.225 14.951 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.456 13.528 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.422 14.023 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.302 12.450 8.754 1.00 0.00 H new ATOM 1462 N LYS A 91 3.343 8.031 8.470 1.00 0.00 N ATOM 1463 CA LYS A 91 3.571 6.591 8.486 1.00 0.00 C ATOM 1464 C LYS A 91 2.457 5.872 9.239 1.00 0.00 C ATOM 1465 O LYS A 91 1.748 5.042 8.671 1.00 0.00 O ATOM 1466 CB LYS A 91 4.923 6.276 9.129 1.00 0.00 C ATOM 1467 CG LYS A 91 5.207 4.788 9.250 1.00 0.00 C ATOM 1468 CD LYS A 91 4.497 4.180 10.448 1.00 0.00 C ATOM 1469 CE LYS A 91 5.267 2.995 11.010 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.756 2.584 12.346 1.00 0.00 N ATOM 0 H LYS A 91 4.168 8.590 8.686 1.00 0.00 H new ATOM 0 HA LYS A 91 3.575 6.237 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.713 6.742 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.958 6.726 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.887 4.280 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.281 4.628 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.376 4.937 11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.497 3.860 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.195 2.155 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.323 3.253 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.523 2.647 13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.978 3.213 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.410 1.604 12.299 1.00 0.00 H new ATOM 1484 N GLN A 92 2.308 6.198 10.519 1.00 0.00 N ATOM 1485 CA GLN A 92 1.279 5.583 11.348 1.00 0.00 C ATOM 1486 C GLN A 92 -0.102 5.767 10.729 1.00 0.00 C ATOM 1487 O GLN A 92 -0.719 4.807 10.268 1.00 0.00 O ATOM 1488 CB GLN A 92 1.303 6.181 12.756 1.00 0.00 C ATOM 1489 CG GLN A 92 0.767 5.243 13.825 1.00 0.00 C ATOM 1490 CD GLN A 92 1.849 4.374 14.436 1.00 0.00 C ATOM 1491 OE1 GLN A 92 2.732 3.878 13.736 1.00 0.00 O ATOM 1492 NE2 GLN A 92 1.785 4.186 15.749 1.00 0.00 N ATOM 0 H GLN A 92 2.887 6.884 11.004 1.00 0.00 H new ATOM 0 HA GLN A 92 1.490 4.515 11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.327 6.457 13.007 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.715 7.099 12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.290 5.829 14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.003 4.606 13.391 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.035 4.617 16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.486 3.611 16.217 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.582 7.007 10.722 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.891 7.317 10.159 1.00 0.00 C ATOM 1503 C GLU A 93 -2.158 6.481 8.911 1.00 0.00 C ATOM 1504 O GLU A 93 -3.156 5.764 8.833 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.986 8.805 9.820 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.103 9.702 11.041 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.532 9.838 11.530 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.329 8.905 11.299 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.854 10.877 12.144 1.00 0.00 O ATOM 0 H GLU A 93 -0.084 7.813 11.100 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.646 7.074 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.104 9.096 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.850 8.968 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.485 9.299 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.710 10.690 10.801 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.260 6.579 7.938 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.398 5.833 6.692 1.00 0.00 C ATOM 1518 C TRP A 94 -1.620 4.350 6.968 1.00 0.00 C ATOM 1519 O TRP A 94 -2.679 3.804 6.655 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.156 6.022 5.820 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.258 7.188 4.885 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.235 8.446 5.086 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.894 7.205 3.602 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.057 9.244 4.006 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.748 8.506 3.082 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.571 6.248 2.842 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.256 8.872 1.838 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.075 6.612 1.608 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.914 7.914 1.115 1.00 0.00 C ATOM 0 H TRP A 94 -0.428 7.168 7.987 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.268 6.219 6.161 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.714 6.156 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.014 5.115 5.240 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.775 8.766 5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.199 10.226 3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.698 5.242 3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.135 9.876 1.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.602 5.881 1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.317 8.166 0.145 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.618 3.705 7.554 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.706 2.285 7.872 1.00 0.00 C ATOM 1542 C ILE A 95 -2.043 1.950 8.526 1.00 0.00 C ATOM 1543 O ILE A 95 -2.757 1.055 8.075 1.00 0.00 O ATOM 1544 CB ILE A 95 0.435 1.846 8.809 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.782 1.949 8.090 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.199 0.426 9.302 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.927 1.332 8.863 1.00 0.00 C ATOM 0 H ILE A 95 0.265 4.143 7.818 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.619 1.745 6.929 1.00 0.00 H new ATOM 0 HB ILE A 95 0.453 2.511 9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.705 1.460 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.005 2.999 7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.014 0.130 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.744 0.382 9.846 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.158 -0.253 8.450 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.850 1.441 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.031 1.836 9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.726 0.274 9.028 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.374 2.676 9.588 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.625 2.456 10.303 1.00 0.00 C ATOM 1561 C GLN A 96 -4.816 2.544 9.355 1.00 0.00 C ATOM 1562 O GLN A 96 -5.753 1.751 9.444 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.780 3.479 11.431 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.165 3.030 12.747 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.999 1.980 13.453 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.984 2.298 14.120 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.609 0.719 13.310 1.00 0.00 N ATOM 0 H GLN A 96 -1.794 3.421 9.972 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.597 1.454 10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.318 4.418 11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.840 3.680 11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.168 2.631 12.560 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.045 3.894 13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.786 0.500 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.132 -0.031 13.762 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.774 3.514 8.447 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.848 3.704 7.481 1.00 0.00 C ATOM 1578 C ALA A 97 -5.937 2.525 6.519 1.00 0.00 C ATOM 1579 O ALA A 97 -7.007 1.946 6.328 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.643 5.001 6.712 1.00 0.00 C ATOM 0 H ALA A 97 -4.007 4.181 8.361 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.789 3.764 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.453 5.130 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.638 5.840 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.691 4.963 6.183 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.806 2.174 5.915 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.757 1.062 4.973 1.00 0.00 C ATOM 1588 C ILE A 98 -5.183 -0.242 5.638 1.00 0.00 C ATOM 1589 O ILE A 98 -6.099 -0.919 5.171 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.346 0.887 4.382 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.848 2.209 3.794 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.348 -0.203 3.321 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.340 2.324 3.758 1.00 0.00 C ATOM 0 H ILE A 98 -3.912 2.643 6.061 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.452 1.300 4.168 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.668 0.588 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.237 2.316 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.253 3.034 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.344 -0.315 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.665 -1.145 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.037 0.069 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.059 3.286 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.945 2.249 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.928 1.520 3.148 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.513 -0.587 6.733 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.824 -1.810 7.465 1.00 0.00 C ATOM 1607 C HIS A 99 -6.326 -1.935 7.701 1.00 0.00 C ATOM 1608 O HIS A 99 -6.940 -2.938 7.336 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.082 -1.831 8.802 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.742 -3.211 9.277 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.453 -3.617 9.547 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.533 -4.279 9.531 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.465 -4.877 9.945 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.716 -5.302 9.945 1.00 0.00 N ATOM 0 H HIS A 99 -3.752 -0.038 7.133 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.497 -2.658 6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.164 -1.252 8.708 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.695 -1.337 9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.607 -4.319 9.427 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.600 -5.460 10.223 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.025 -6.238 10.209 1.00 0.00 H new ATOM 1623 N SER A 100 -6.911 -0.912 8.315 1.00 0.00 N ATOM 1624 CA SER A 100 -8.340 -0.909 8.604 1.00 0.00 C ATOM 1625 C SER A 100 -9.154 -1.057 7.322 1.00 0.00 C ATOM 1626 O SER A 100 -10.135 -1.801 7.276 1.00 0.00 O ATOM 1627 CB SER A 100 -8.734 0.381 9.325 1.00 0.00 C ATOM 1628 OG SER A 100 -10.126 0.412 9.591 1.00 0.00 O ATOM 0 H SER A 100 -6.417 -0.074 8.622 1.00 0.00 H new ATOM 0 HA SER A 100 -8.556 -1.759 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.180 0.462 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.458 1.241 8.715 1.00 0.00 H new ATOM 0 HG SER A 100 -10.352 1.246 10.054 1.00 0.00 H new ATOM 1634 N THR A 101 -8.740 -0.344 6.279 1.00 0.00 N ATOM 1635 CA THR A 101 -9.429 -0.394 4.996 1.00 0.00 C ATOM 1636 C THR A 101 -9.609 -1.832 4.524 1.00 0.00 C ATOM 1637 O THR A 101 -10.657 -2.191 3.985 1.00 0.00 O ATOM 1638 CB THR A 101 -8.665 0.397 3.917 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.693 1.795 4.222 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.272 0.160 2.542 1.00 0.00 C ATOM 0 H THR A 101 -7.930 0.275 6.298 1.00 0.00 H new ATOM 0 HA THR A 101 -10.408 0.061 5.145 1.00 0.00 H new ATOM 0 HB THR A 101 -7.632 0.049 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.198 1.959 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.716 0.728 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.222 -0.902 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.313 0.483 2.543 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.583 -2.651 4.731 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.631 -4.050 4.328 1.00 0.00 C ATOM 1650 C ILE A 102 -9.539 -4.857 5.249 1.00 0.00 C ATOM 1651 O ILE A 102 -10.295 -5.718 4.796 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.227 -4.684 4.327 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.325 -3.977 3.313 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.317 -6.171 4.018 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.849 -4.164 3.583 1.00 0.00 C ATOM 0 H ILE A 102 -7.709 -2.369 5.175 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.032 -4.072 3.315 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.790 -4.565 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.553 -4.349 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.554 -2.911 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.317 -6.604 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.928 -6.663 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.771 -6.312 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.271 -3.636 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.606 -3.766 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.605 -5.226 3.551 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.462 -4.572 6.545 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.280 -5.270 7.531 1.00 0.00 C ATOM 1669 C HIS A 103 -11.761 -5.172 7.177 1.00 0.00 C ATOM 1670 O HIS A 103 -12.511 -6.138 7.327 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.039 -4.692 8.926 1.00 0.00 C ATOM 1672 CG HIS A 103 -10.952 -5.251 9.973 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.301 -5.218 10.080 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.499 -5.942 11.077 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.635 -5.883 11.234 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.529 -6.310 11.817 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.842 -3.863 6.937 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.992 -6.321 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.006 -4.884 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.163 -3.610 8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.463 -6.150 11.301 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.638 -6.033 11.605 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.479 -6.835 12.690 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.175 -4.001 6.706 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.567 -3.776 6.331 1.00 0.00 C ATOM 1687 C LEU A 104 -14.001 -4.753 5.243 1.00 0.00 C ATOM 1688 O LEU A 104 -15.165 -5.151 5.180 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.759 -2.338 5.847 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.340 -1.239 6.824 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.261 0.104 6.115 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.309 -1.170 7.996 1.00 0.00 C ATOM 0 H LEU A 104 -11.567 -3.193 6.575 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.187 -3.942 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.196 -2.209 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.811 -2.196 5.601 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.350 -1.481 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -12.961 0.874 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.528 0.048 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.237 0.354 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.996 -0.383 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.311 -0.952 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.315 -2.126 8.520 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.059 -5.138 4.389 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.344 -6.071 3.305 1.00 0.00 C ATOM 1706 C LEU A 105 -13.553 -7.483 3.842 1.00 0.00 C ATOM 1707 O LEU A 105 -14.342 -8.256 3.298 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.202 -6.064 2.287 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.206 -4.912 1.281 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.805 -4.668 0.743 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.173 -5.202 0.142 1.00 0.00 C ATOM 0 H LEU A 105 -12.091 -4.818 4.426 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.263 -5.750 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.258 -6.042 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.229 -7.003 1.734 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.539 -4.009 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.828 -3.845 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.138 -4.415 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.444 -5.569 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.163 -4.372 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.870 -6.116 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.179 -5.326 0.542 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.842 -7.813 4.915 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.951 -9.131 5.529 1.00 0.00 C ATOM 1725 C LYS A 106 -14.375 -9.391 6.010 1.00 0.00 C ATOM 1726 O LYS A 106 -14.932 -10.465 5.780 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.976 -9.252 6.702 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.556 -9.590 6.281 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.581 -9.441 7.436 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.145 -9.345 6.944 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.534 -10.689 6.749 1.00 0.00 N ATOM 0 H LYS A 106 -12.184 -7.186 5.377 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.698 -9.877 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.968 -8.313 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.336 -10.021 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.521 -10.612 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.253 -8.938 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.830 -8.549 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.680 -10.292 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.119 -8.795 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.553 -8.777 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.997 -10.700 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.895 -10.898 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.284 -11.409 6.710 1.00 0.00 H new