USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 722 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 60 GLN : amide:sc= 0.618 K(o=1.4,f=-2) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 138:sc= 0.766 (180deg=0) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0995) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0479 (180deg=-0.00401) USER MOD Single : A 2 SER OG : rot 37:sc= 1.2 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 100:sc= 0.111 USER MOD Single : A 15 GLN : amide:sc= 0.653 K(o=0.65,f=-0.099) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -92:sc= 1.1 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.927 X(o=-0.93,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.000903 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0337 K(o=-0.034,f=-8.3!) USER MOD Single : A 43 SER OG : rot -112:sc= 1.74 USER MOD Single : A 54 GLN : amide:sc=-0.00378 X(o=-0.0038,f=-0.0038) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0.949 (180deg=0.812) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -30:sc= 0.453 USER MOD Single : A 69 SER OG : rot 180:sc= 0.212 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-0.68) USER MOD Single : A 81 HIS : no HE2:sc= 0.0203 K(o=0.02,f=-1.6) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.750 22.163 -1.028 1.00 0.00 N ATOM 2 CA MET A 1 3.819 20.690 -1.085 1.00 0.00 C ATOM 3 C MET A 1 4.662 20.120 0.052 1.00 0.00 C ATOM 4 O MET A 1 5.400 20.854 0.705 1.00 0.00 O ATOM 5 CB MET A 1 4.257 20.198 -2.477 1.00 0.00 C ATOM 6 CG MET A 1 5.606 20.742 -2.969 1.00 0.00 C ATOM 7 SD MET A 1 7.099 20.226 -2.076 1.00 0.00 S ATOM 8 CE MET A 1 7.124 18.464 -2.494 1.00 0.00 C ATOM 0 H1 MET A 1 3.764 22.549 -1.994 1.00 0.00 H new ATOM 0 H2 MET A 1 2.871 22.451 -0.553 1.00 0.00 H new ATOM 0 H3 MET A 1 4.566 22.528 -0.497 1.00 0.00 H new ATOM 0 HA MET A 1 2.812 20.301 -0.932 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.307 19.109 -2.461 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.488 20.471 -3.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.723 20.453 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.559 21.831 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.063 18.024 -2.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.292 17.961 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.032 18.345 -3.574 1.00 0.00 H new ATOM 20 N SER A 2 4.526 18.807 0.272 1.00 0.00 N ATOM 21 CA SER A 2 5.307 18.004 1.211 1.00 0.00 C ATOM 22 C SER A 2 4.937 16.534 1.013 1.00 0.00 C ATOM 23 O SER A 2 5.810 15.689 0.829 1.00 0.00 O ATOM 24 CB SER A 2 5.039 18.382 2.680 1.00 0.00 C ATOM 25 OG SER A 2 5.714 19.555 3.074 1.00 0.00 O ATOM 0 H SER A 2 3.832 18.251 -0.227 1.00 0.00 H new ATOM 0 HA SER A 2 6.362 18.189 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.967 18.519 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.346 17.558 3.324 1.00 0.00 H new ATOM 0 HG SER A 2 5.721 20.194 2.331 1.00 0.00 H new ATOM 31 N LYS A 3 3.634 16.238 1.082 1.00 0.00 N ATOM 32 CA LYS A 3 3.113 14.884 0.998 1.00 0.00 C ATOM 33 C LYS A 3 3.208 14.386 -0.438 1.00 0.00 C ATOM 34 O LYS A 3 2.423 14.773 -1.302 1.00 0.00 O ATOM 35 CB LYS A 3 1.670 14.825 1.500 1.00 0.00 C ATOM 36 CG LYS A 3 1.590 14.566 3.007 1.00 0.00 C ATOM 37 CD LYS A 3 2.284 15.637 3.854 1.00 0.00 C ATOM 38 CE LYS A 3 2.008 15.403 5.345 1.00 0.00 C ATOM 39 NZ LYS A 3 2.700 16.396 6.185 1.00 0.00 N ATOM 0 H LYS A 3 2.909 16.946 1.199 1.00 0.00 H new ATOM 0 HA LYS A 3 3.712 14.235 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.168 15.764 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.135 14.038 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.542 14.506 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.038 13.597 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.358 15.616 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.929 16.626 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.935 15.453 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.333 14.400 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.492 16.209 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.726 16.330 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.371 17.351 5.936 1.00 0.00 H new ATOM 53 N VAL A 4 4.181 13.506 -0.656 1.00 0.00 N ATOM 54 CA VAL A 4 4.448 12.861 -1.929 1.00 0.00 C ATOM 55 C VAL A 4 3.800 11.491 -1.853 1.00 0.00 C ATOM 56 O VAL A 4 4.442 10.493 -1.532 1.00 0.00 O ATOM 57 CB VAL A 4 5.953 12.841 -2.275 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.892 12.354 -1.162 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.190 12.032 -3.562 1.00 0.00 C ATOM 0 H VAL A 4 4.826 13.215 0.078 1.00 0.00 H new ATOM 0 HA VAL A 4 4.018 13.419 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 4 6.217 13.889 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.922 12.382 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.790 13.001 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.631 11.332 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.254 12.025 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.843 11.009 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.640 12.489 -4.385 1.00 0.00 H new ATOM 69 N CYS A 5 2.492 11.462 -2.102 1.00 0.00 N ATOM 70 CA CYS A 5 1.749 10.216 -2.074 1.00 0.00 C ATOM 71 C CYS A 5 2.054 9.422 -3.343 1.00 0.00 C ATOM 72 O CYS A 5 2.370 10.014 -4.372 1.00 0.00 O ATOM 73 CB CYS A 5 0.245 10.463 -1.906 1.00 0.00 C ATOM 74 SG CYS A 5 -0.271 11.817 -0.807 1.00 0.00 S ATOM 0 H CYS A 5 1.933 12.286 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 5 2.063 9.632 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.176 10.653 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.207 9.542 -1.539 1.00 0.00 H new ATOM 79 N ILE A 6 1.973 8.089 -3.261 1.00 0.00 N ATOM 80 CA ILE A 6 2.255 7.191 -4.382 1.00 0.00 C ATOM 81 C ILE A 6 1.175 6.124 -4.428 1.00 0.00 C ATOM 82 O ILE A 6 0.680 5.724 -3.379 1.00 0.00 O ATOM 83 CB ILE A 6 3.639 6.515 -4.296 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.138 6.199 -2.878 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.699 7.273 -5.114 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.600 7.432 -2.093 1.00 0.00 C ATOM 0 H ILE A 6 1.707 7.601 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 6 2.263 7.795 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 6 3.482 5.536 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.339 5.706 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.965 5.491 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.659 6.764 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.398 7.302 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.792 8.291 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.937 7.127 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.421 7.915 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.771 8.132 -1.994 1.00 0.00 H new ATOM 98 N ILE A 7 0.839 5.658 -5.634 1.00 0.00 N ATOM 99 CA ILE A 7 -0.150 4.608 -5.849 1.00 0.00 C ATOM 100 C ILE A 7 0.560 3.342 -6.322 1.00 0.00 C ATOM 101 O ILE A 7 0.899 3.212 -7.496 1.00 0.00 O ATOM 102 CB ILE A 7 -1.289 5.084 -6.772 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.231 3.907 -7.085 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.808 5.767 -8.062 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.636 4.372 -7.474 1.00 0.00 C ATOM 0 H ILE A 7 1.254 6.007 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.648 4.362 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.830 5.857 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.810 3.314 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.295 3.255 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.670 6.072 -8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.213 6.644 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.199 5.070 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.261 3.504 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.071 4.942 -6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.578 5.002 -8.362 1.00 0.00 H new ATOM 117 N ALA A 8 0.797 2.419 -5.384 1.00 0.00 N ATOM 118 CA ALA A 8 1.487 1.167 -5.630 1.00 0.00 C ATOM 119 C ALA A 8 0.464 0.091 -5.977 1.00 0.00 C ATOM 120 O ALA A 8 -0.121 -0.510 -5.079 1.00 0.00 O ATOM 121 CB ALA A 8 2.324 0.787 -4.405 1.00 0.00 C ATOM 0 H ALA A 8 0.504 2.533 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 8 2.169 1.270 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.840 -0.154 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.057 1.570 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.672 0.675 -3.539 1.00 0.00 H new ATOM 127 N TRP A 9 0.261 -0.162 -7.276 1.00 0.00 N ATOM 128 CA TRP A 9 -0.518 -1.307 -7.726 1.00 0.00 C ATOM 129 C TRP A 9 0.294 -2.569 -7.483 1.00 0.00 C ATOM 130 O TRP A 9 1.203 -2.879 -8.254 1.00 0.00 O ATOM 131 CB TRP A 9 -0.852 -1.217 -9.216 1.00 0.00 C ATOM 132 CG TRP A 9 -1.826 -0.157 -9.598 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.167 -0.279 -9.555 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.564 1.187 -10.085 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.757 0.929 -9.858 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.810 1.866 -10.220 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.399 1.897 -10.432 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.889 3.203 -10.639 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.468 3.235 -10.854 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.709 3.887 -10.966 1.00 0.00 C ATOM 0 H TRP A 9 0.629 0.417 -8.031 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.455 -1.324 -7.170 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.073 -1.050 -9.767 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.246 -2.180 -9.540 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.700 -1.188 -9.318 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.761 1.107 -9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.561 1.406 -10.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.846 3.699 -10.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.440 3.768 -11.095 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.753 4.912 -11.303 1.00 0.00 H new ATOM 151 N VAL A 10 -0.059 -3.298 -6.424 1.00 0.00 N ATOM 152 CA VAL A 10 0.530 -4.591 -6.125 1.00 0.00 C ATOM 153 C VAL A 10 -0.261 -5.631 -6.919 1.00 0.00 C ATOM 154 O VAL A 10 -1.183 -6.254 -6.392 1.00 0.00 O ATOM 155 CB VAL A 10 0.519 -4.854 -4.609 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.322 -6.116 -4.275 1.00 0.00 C ATOM 157 CG2 VAL A 10 1.117 -3.689 -3.808 1.00 0.00 C ATOM 0 H VAL A 10 -0.765 -3.002 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 10 1.579 -4.635 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.528 -4.975 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.303 -6.285 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.882 -6.973 -4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.353 -5.989 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.086 -3.925 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.151 -3.530 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.540 -2.784 -3.996 1.00 0.00 H new ATOM 167 N TYR A 11 0.096 -5.796 -8.199 1.00 0.00 N ATOM 168 CA TYR A 11 -0.493 -6.795 -9.079 1.00 0.00 C ATOM 169 C TYR A 11 -0.117 -8.177 -8.566 1.00 0.00 C ATOM 170 O TYR A 11 1.054 -8.423 -8.277 1.00 0.00 O ATOM 171 CB TYR A 11 0.009 -6.636 -10.519 1.00 0.00 C ATOM 172 CG TYR A 11 -0.310 -5.301 -11.159 1.00 0.00 C ATOM 173 CD1 TYR A 11 -1.567 -5.092 -11.755 1.00 0.00 C ATOM 174 CD2 TYR A 11 0.655 -4.278 -11.187 1.00 0.00 C ATOM 175 CE1 TYR A 11 -1.896 -3.832 -12.282 1.00 0.00 C ATOM 176 CE2 TYR A 11 0.347 -3.044 -11.781 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.942 -2.801 -12.282 1.00 0.00 C ATOM 178 OH TYR A 11 -1.268 -1.568 -12.767 1.00 0.00 O ATOM 0 H TYR A 11 0.812 -5.228 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.575 -6.664 -9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.089 -6.779 -10.530 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.424 -7.428 -11.129 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.280 -5.901 -11.807 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.630 -4.441 -10.753 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.882 -3.656 -12.687 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.105 -2.278 -11.853 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.477 -0.968 -12.021 1.00 0.00 H new ATOM 188 N GLY A 12 -1.104 -9.070 -8.461 1.00 0.00 N ATOM 189 CA GLY A 12 -0.888 -10.433 -8.023 1.00 0.00 C ATOM 190 C GLY A 12 -2.103 -11.000 -7.307 1.00 0.00 C ATOM 191 O GLY A 12 -3.126 -10.330 -7.166 1.00 0.00 O ATOM 0 H GLY A 12 -2.077 -8.857 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.651 -11.057 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.026 -10.468 -7.357 1.00 0.00 H new ATOM 195 N ARG A 13 -1.967 -12.240 -6.819 1.00 0.00 N ATOM 196 CA ARG A 13 -3.024 -12.919 -6.083 1.00 0.00 C ATOM 197 C ARG A 13 -2.896 -12.596 -4.598 1.00 0.00 C ATOM 198 O ARG A 13 -2.522 -13.435 -3.780 1.00 0.00 O ATOM 199 CB ARG A 13 -3.012 -14.418 -6.361 1.00 0.00 C ATOM 200 CG ARG A 13 -2.884 -14.695 -7.865 1.00 0.00 C ATOM 201 CD ARG A 13 -3.268 -16.137 -8.202 1.00 0.00 C ATOM 202 NE ARG A 13 -3.049 -16.419 -9.628 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.425 -17.546 -10.255 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.070 -18.514 -9.590 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.152 -17.705 -11.557 1.00 0.00 N ATOM 0 H ARG A 13 -1.118 -12.795 -6.927 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.995 -12.557 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.182 -14.884 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.928 -14.870 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.524 -14.008 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.860 -14.505 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.679 -16.825 -7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.315 -16.307 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.576 -15.706 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.280 -18.399 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.351 -19.366 -10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.660 -16.972 -12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.436 -18.559 -12.037 1.00 0.00 H new ATOM 219 N VAL A 14 -3.179 -11.332 -4.296 1.00 0.00 N ATOM 220 CA VAL A 14 -2.902 -10.674 -3.027 1.00 0.00 C ATOM 221 C VAL A 14 -4.221 -10.443 -2.281 1.00 0.00 C ATOM 222 O VAL A 14 -4.341 -10.759 -1.098 1.00 0.00 O ATOM 223 CB VAL A 14 -2.152 -9.362 -3.310 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.780 -8.645 -2.010 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.853 -9.609 -4.090 1.00 0.00 C ATOM 0 H VAL A 14 -3.631 -10.709 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.271 -11.293 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.830 -8.747 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.251 -7.721 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.686 -8.413 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.138 -9.290 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.351 -8.659 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.199 -10.260 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.086 -10.084 -5.043 1.00 0.00 H new ATOM 235 N GLN A 15 -5.221 -9.913 -2.994 1.00 0.00 N ATOM 236 CA GLN A 15 -6.611 -9.887 -2.557 1.00 0.00 C ATOM 237 C GLN A 15 -7.097 -11.315 -2.285 1.00 0.00 C ATOM 238 O GLN A 15 -6.649 -12.259 -2.934 1.00 0.00 O ATOM 239 CB GLN A 15 -7.452 -9.147 -3.603 1.00 0.00 C ATOM 240 CG GLN A 15 -7.450 -9.817 -4.981 1.00 0.00 C ATOM 241 CD GLN A 15 -8.333 -9.032 -5.940 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.327 -9.551 -6.443 1.00 0.00 O ATOM 243 NE2 GLN A 15 -7.993 -7.766 -6.174 1.00 0.00 N ATOM 0 H GLN A 15 -5.078 -9.483 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.714 -9.343 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.479 -9.075 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.077 -8.128 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.433 -9.868 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.811 -10.842 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.160 -7.373 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.566 -7.190 -6.790 1.00 0.00 H new ATOM 252 N GLY A 16 -7.966 -11.477 -1.280 1.00 0.00 N ATOM 253 CA GLY A 16 -8.449 -12.774 -0.828 1.00 0.00 C ATOM 254 C GLY A 16 -7.577 -13.332 0.297 1.00 0.00 C ATOM 255 O GLY A 16 -8.103 -13.821 1.295 1.00 0.00 O ATOM 0 H GLY A 16 -8.355 -10.695 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.478 -12.680 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.458 -13.473 -1.665 1.00 0.00 H new ATOM 259 N VAL A 17 -6.248 -13.255 0.143 1.00 0.00 N ATOM 260 CA VAL A 17 -5.289 -13.791 1.105 1.00 0.00 C ATOM 261 C VAL A 17 -5.365 -13.036 2.440 1.00 0.00 C ATOM 262 O VAL A 17 -5.175 -13.636 3.495 1.00 0.00 O ATOM 263 CB VAL A 17 -3.869 -13.783 0.506 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.859 -14.453 1.448 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.828 -14.521 -0.841 1.00 0.00 C ATOM 0 H VAL A 17 -5.809 -12.813 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.547 -14.828 1.319 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.600 -12.736 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.868 -14.430 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.836 -13.918 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.155 -15.488 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.813 -14.498 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.138 -15.556 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.504 -14.033 -1.544 1.00 0.00 H new ATOM 275 N GLY A 18 -5.656 -11.728 2.396 1.00 0.00 N ATOM 276 CA GLY A 18 -5.791 -10.873 3.564 1.00 0.00 C ATOM 277 C GLY A 18 -4.476 -10.174 3.906 1.00 0.00 C ATOM 278 O GLY A 18 -4.148 -9.998 5.077 1.00 0.00 O ATOM 0 H GLY A 18 -5.806 -11.230 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.564 -10.126 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.119 -11.469 4.416 1.00 0.00 H new ATOM 282 N PHE A 19 -3.743 -9.755 2.865 1.00 0.00 N ATOM 283 CA PHE A 19 -2.463 -9.056 2.938 1.00 0.00 C ATOM 284 C PHE A 19 -2.499 -7.830 3.846 1.00 0.00 C ATOM 285 O PHE A 19 -1.492 -7.488 4.462 1.00 0.00 O ATOM 286 CB PHE A 19 -2.085 -8.653 1.508 1.00 0.00 C ATOM 287 CG PHE A 19 -0.612 -8.417 1.231 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.312 -9.464 1.424 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.224 -7.281 0.497 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.609 -9.374 0.887 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.047 -7.225 -0.099 1.00 0.00 C ATOM 292 CZ PHE A 19 1.964 -8.269 0.096 1.00 0.00 C ATOM 0 H PHE A 19 -4.047 -9.905 1.903 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.721 -9.723 3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.438 -9.431 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.628 -7.742 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.023 -10.339 1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.905 -6.450 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.331 -10.153 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.319 -6.376 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.941 -8.223 -0.361 1.00 0.00 H new ATOM 302 N ARG A 20 -3.669 -7.189 3.937 1.00 0.00 N ATOM 303 CA ARG A 20 -3.945 -6.076 4.837 1.00 0.00 C ATOM 304 C ARG A 20 -4.112 -6.582 6.278 1.00 0.00 C ATOM 305 O ARG A 20 -5.126 -6.312 6.920 1.00 0.00 O ATOM 306 CB ARG A 20 -5.211 -5.346 4.358 1.00 0.00 C ATOM 307 CG ARG A 20 -5.037 -4.710 2.969 1.00 0.00 C ATOM 308 CD ARG A 20 -6.376 -4.582 2.222 1.00 0.00 C ATOM 309 NE ARG A 20 -6.325 -5.261 0.921 1.00 0.00 N ATOM 310 CZ ARG A 20 -6.133 -6.581 0.758 1.00 0.00 C ATOM 311 NH1 ARG A 20 -6.208 -7.431 1.789 1.00 0.00 N ATOM 312 NH2 ARG A 20 -5.850 -7.049 -0.460 1.00 0.00 N ATOM 0 H ARG A 20 -4.474 -7.443 3.365 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.107 -5.379 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.043 -6.050 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.473 -4.571 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.586 -3.724 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.348 -5.313 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.175 -5.009 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.615 -3.529 2.076 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.443 -4.691 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.415 -7.081 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.058 -8.429 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.782 -6.407 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.701 -8.048 -0.601 1.00 0.00 H new ATOM 326 N TYR A 21 -3.114 -7.316 6.785 1.00 0.00 N ATOM 327 CA TYR A 21 -3.107 -7.892 8.119 1.00 0.00 C ATOM 328 C TYR A 21 -2.544 -6.858 9.088 1.00 0.00 C ATOM 329 O TYR A 21 -3.291 -6.238 9.843 1.00 0.00 O ATOM 330 CB TYR A 21 -2.285 -9.190 8.110 1.00 0.00 C ATOM 331 CG TYR A 21 -2.114 -9.841 9.470 1.00 0.00 C ATOM 332 CD1 TYR A 21 -3.217 -10.439 10.107 1.00 0.00 C ATOM 333 CD2 TYR A 21 -0.855 -9.849 10.105 1.00 0.00 C ATOM 334 CE1 TYR A 21 -3.066 -11.030 11.374 1.00 0.00 C ATOM 335 CE2 TYR A 21 -0.710 -10.424 11.380 1.00 0.00 C ATOM 336 CZ TYR A 21 -1.815 -11.017 12.013 1.00 0.00 C ATOM 337 OH TYR A 21 -1.678 -11.584 13.248 1.00 0.00 O ATOM 0 H TYR A 21 -2.268 -7.527 6.256 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.116 -8.150 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.764 -9.903 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.299 -8.977 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.182 -10.444 9.622 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.000 -9.412 9.611 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.913 -11.495 11.857 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.251 -10.410 11.873 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.750 -11.491 13.549 1.00 0.00 H new ATOM 347 N THR A 22 -1.222 -6.667 9.035 1.00 0.00 N ATOM 348 CA THR A 22 -0.490 -5.711 9.855 1.00 0.00 C ATOM 349 C THR A 22 -0.144 -4.449 9.052 1.00 0.00 C ATOM 350 O THR A 22 0.700 -3.665 9.481 1.00 0.00 O ATOM 351 CB THR A 22 0.739 -6.410 10.470 1.00 0.00 C ATOM 352 OG1 THR A 22 1.361 -5.589 11.432 1.00 0.00 O ATOM 353 CG2 THR A 22 1.782 -6.820 9.430 1.00 0.00 C ATOM 0 H THR A 22 -0.619 -7.191 8.400 1.00 0.00 H new ATOM 0 HA THR A 22 -1.114 -5.366 10.679 1.00 0.00 H new ATOM 0 HB THR A 22 0.354 -7.316 10.938 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.063 -5.056 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.621 -7.306 9.928 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.333 -7.512 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.137 -5.935 8.902 1.00 0.00 H new ATOM 361 N THR A 23 -0.822 -4.210 7.916 1.00 0.00 N ATOM 362 CA THR A 23 -0.686 -2.956 7.190 1.00 0.00 C ATOM 363 C THR A 23 -1.142 -1.772 8.045 1.00 0.00 C ATOM 364 O THR A 23 -0.482 -0.737 8.040 1.00 0.00 O ATOM 365 CB THR A 23 -1.398 -3.015 5.830 1.00 0.00 C ATOM 366 OG1 THR A 23 -0.975 -1.937 5.023 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.923 -2.969 5.949 1.00 0.00 C ATOM 0 H THR A 23 -1.467 -4.875 7.489 1.00 0.00 H new ATOM 0 HA THR A 23 0.371 -2.800 6.977 1.00 0.00 H new ATOM 0 HB THR A 23 -1.130 -3.971 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.430 -1.979 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.367 -3.014 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.268 -3.818 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.222 -2.042 6.438 1.00 0.00 H new ATOM 375 N GLN A 24 -2.238 -1.922 8.802 1.00 0.00 N ATOM 376 CA GLN A 24 -2.729 -0.900 9.709 1.00 0.00 C ATOM 377 C GLN A 24 -1.687 -0.567 10.768 1.00 0.00 C ATOM 378 O GLN A 24 -1.390 0.606 10.974 1.00 0.00 O ATOM 379 CB GLN A 24 -4.024 -1.396 10.352 1.00 0.00 C ATOM 380 CG GLN A 24 -5.154 -1.337 9.321 1.00 0.00 C ATOM 381 CD GLN A 24 -5.674 0.075 9.092 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.265 1.032 9.744 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.583 0.200 8.134 1.00 0.00 N ATOM 0 H GLN A 24 -2.807 -2.768 8.795 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.927 0.016 9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.897 -2.417 10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.273 -0.782 11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.798 -1.745 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.975 -1.972 9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.895 -0.622 7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.970 1.118 7.915 1.00 0.00 H new ATOM 392 N TYR A 25 -1.138 -1.590 11.435 1.00 0.00 N ATOM 393 CA TYR A 25 -0.112 -1.398 12.446 1.00 0.00 C ATOM 394 C TYR A 25 1.026 -0.553 11.890 1.00 0.00 C ATOM 395 O TYR A 25 1.306 0.519 12.419 1.00 0.00 O ATOM 396 CB TYR A 25 0.416 -2.755 12.922 1.00 0.00 C ATOM 397 CG TYR A 25 1.313 -2.687 14.145 1.00 0.00 C ATOM 398 CD1 TYR A 25 0.853 -2.088 15.335 1.00 0.00 C ATOM 399 CD2 TYR A 25 2.622 -3.202 14.089 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.717 -1.944 16.434 1.00 0.00 C ATOM 401 CE2 TYR A 25 3.479 -3.075 15.196 1.00 0.00 C ATOM 402 CZ TYR A 25 3.034 -2.429 16.362 1.00 0.00 C ATOM 403 OH TYR A 25 3.883 -2.277 17.419 1.00 0.00 O ATOM 0 H TYR A 25 -1.396 -2.565 11.284 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.549 -0.874 13.296 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.432 -3.403 13.144 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.969 -3.222 12.107 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.167 -1.739 15.403 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.969 -3.696 13.193 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.369 -1.460 17.335 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.481 -3.475 15.150 1.00 0.00 H new ATOM 0 HH TYR A 25 4.753 -2.671 17.199 1.00 0.00 H new ATOM 413 N GLU A 26 1.641 -1.036 10.804 1.00 0.00 N ATOM 414 CA GLU A 26 2.754 -0.384 10.118 1.00 0.00 C ATOM 415 C GLU A 26 2.402 1.063 9.760 1.00 0.00 C ATOM 416 O GLU A 26 3.135 1.989 10.104 1.00 0.00 O ATOM 417 CB GLU A 26 3.147 -1.209 8.881 1.00 0.00 C ATOM 418 CG GLU A 26 4.310 -2.173 9.175 1.00 0.00 C ATOM 419 CD GLU A 26 4.122 -2.990 10.454 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.386 -3.998 10.386 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.718 -2.592 11.481 1.00 0.00 O ATOM 0 H GLU A 26 1.367 -1.917 10.369 1.00 0.00 H new ATOM 0 HA GLU A 26 3.616 -0.340 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.284 -1.778 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.430 -0.536 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.427 -2.855 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.234 -1.600 9.253 1.00 0.00 H new ATOM 428 N ALA A 27 1.260 1.248 9.093 1.00 0.00 N ATOM 429 CA ALA A 27 0.727 2.549 8.719 1.00 0.00 C ATOM 430 C ALA A 27 0.621 3.487 9.921 1.00 0.00 C ATOM 431 O ALA A 27 0.908 4.673 9.798 1.00 0.00 O ATOM 432 CB ALA A 27 -0.649 2.364 8.069 1.00 0.00 C ATOM 0 H ALA A 27 0.669 0.473 8.793 1.00 0.00 H new ATOM 0 HA ALA A 27 1.415 3.009 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.052 3.337 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.551 1.741 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.324 1.883 8.777 1.00 0.00 H new ATOM 438 N LYS A 28 0.210 2.956 11.079 1.00 0.00 N ATOM 439 CA LYS A 28 0.046 3.718 12.310 1.00 0.00 C ATOM 440 C LYS A 28 1.394 4.119 12.925 1.00 0.00 C ATOM 441 O LYS A 28 1.449 5.115 13.646 1.00 0.00 O ATOM 442 CB LYS A 28 -0.840 2.927 13.286 1.00 0.00 C ATOM 443 CG LYS A 28 -1.228 3.730 14.534 1.00 0.00 C ATOM 444 CD LYS A 28 -2.275 2.950 15.339 1.00 0.00 C ATOM 445 CE LYS A 28 -2.688 3.708 16.605 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.732 2.981 17.347 1.00 0.00 N ATOM 0 H LYS A 28 -0.020 1.968 11.182 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.456 4.658 12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.746 2.610 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.315 2.022 13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.347 3.917 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.627 4.702 14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.153 2.770 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.873 1.975 15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.818 3.853 17.245 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.054 4.699 16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.991 3.519 18.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.570 2.865 16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.373 2.045 17.624 1.00 0.00 H new ATOM 460 N ARG A 29 2.484 3.393 12.627 1.00 0.00 N ATOM 461 CA ARG A 29 3.829 3.803 13.028 1.00 0.00 C ATOM 462 C ARG A 29 4.190 5.103 12.304 1.00 0.00 C ATOM 463 O ARG A 29 4.682 6.044 12.924 1.00 0.00 O ATOM 464 CB ARG A 29 4.896 2.736 12.712 1.00 0.00 C ATOM 465 CG ARG A 29 4.508 1.284 13.006 1.00 0.00 C ATOM 466 CD ARG A 29 4.316 0.955 14.490 1.00 0.00 C ATOM 467 NE ARG A 29 5.597 0.703 15.162 1.00 0.00 N ATOM 468 CZ ARG A 29 6.346 -0.406 15.006 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.991 -1.369 14.143 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.469 -0.547 15.722 1.00 0.00 N ATOM 0 H ARG A 29 2.454 2.516 12.107 1.00 0.00 H new ATOM 0 HA ARG A 29 3.820 3.943 14.109 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.156 2.814 11.656 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.796 2.972 13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.583 1.056 12.476 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.278 0.628 12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.804 1.781 14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.675 0.079 14.588 1.00 0.00 H new ATOM 0 HE ARG A 29 5.946 1.422 15.795 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.140 -1.270 13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.572 -2.201 14.040 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.750 0.181 16.378 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.043 -1.383 15.611 1.00 0.00 H new ATOM 484 N LEU A 30 3.943 5.140 10.989 1.00 0.00 N ATOM 485 CA LEU A 30 4.254 6.276 10.132 1.00 0.00 C ATOM 486 C LEU A 30 3.258 7.420 10.345 1.00 0.00 C ATOM 487 O LEU A 30 3.631 8.586 10.233 1.00 0.00 O ATOM 488 CB LEU A 30 4.258 5.814 8.667 1.00 0.00 C ATOM 489 CG LEU A 30 5.276 4.696 8.377 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.030 4.146 6.970 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.720 5.202 8.481 1.00 0.00 C ATOM 0 H LEU A 30 3.513 4.363 10.487 1.00 0.00 H new ATOM 0 HA LEU A 30 5.241 6.659 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.260 5.463 8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.476 6.668 8.026 1.00 0.00 H new ATOM 0 HG LEU A 30 5.141 3.912 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.748 3.354 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.018 3.745 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.148 4.947 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.408 4.384 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.877 6.004 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.902 5.578 9.488 1.00 0.00 H new ATOM 503 N GLY A 31 1.997 7.084 10.641 1.00 0.00 N ATOM 504 CA GLY A 31 0.914 8.031 10.847 1.00 0.00 C ATOM 505 C GLY A 31 0.505 8.698 9.539 1.00 0.00 C ATOM 506 O GLY A 31 0.339 9.916 9.489 1.00 0.00 O ATOM 0 H GLY A 31 1.701 6.113 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.056 7.517 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.224 8.791 11.564 1.00 0.00 H new ATOM 510 N LEU A 32 0.361 7.885 8.488 1.00 0.00 N ATOM 511 CA LEU A 32 0.071 8.327 7.128 1.00 0.00 C ATOM 512 C LEU A 32 -1.370 8.035 6.710 1.00 0.00 C ATOM 513 O LEU A 32 -2.136 7.426 7.456 1.00 0.00 O ATOM 514 CB LEU A 32 1.111 7.769 6.149 1.00 0.00 C ATOM 515 CG LEU A 32 0.850 6.375 5.549 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.135 5.930 4.861 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.489 5.308 6.582 1.00 0.00 C ATOM 0 H LEU A 32 0.446 6.872 8.567 1.00 0.00 H new ATOM 0 HA LEU A 32 0.154 9.414 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.210 8.476 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.073 7.739 6.661 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.002 6.468 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.990 4.943 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.393 6.642 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.943 5.887 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.321 4.356 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.306 5.202 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.418 5.604 7.110 1.00 0.00 H new ATOM 529 N THR A 33 -1.730 8.509 5.513 1.00 0.00 N ATOM 530 CA THR A 33 -3.101 8.516 5.024 1.00 0.00 C ATOM 531 C THR A 33 -3.192 7.581 3.819 1.00 0.00 C ATOM 532 O THR A 33 -2.221 6.895 3.502 1.00 0.00 O ATOM 533 CB THR A 33 -3.507 9.957 4.672 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.837 10.402 3.514 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.204 10.922 5.825 1.00 0.00 C ATOM 0 H THR A 33 -1.062 8.903 4.851 1.00 0.00 H new ATOM 0 HA THR A 33 -3.793 8.158 5.786 1.00 0.00 H new ATOM 0 HB THR A 33 -4.582 9.948 4.489 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.113 11.320 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.503 11.931 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.758 10.614 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.136 10.907 6.041 1.00 0.00 H new ATOM 543 N GLY A 34 -4.332 7.578 3.121 1.00 0.00 N ATOM 544 CA GLY A 34 -4.473 6.890 1.849 1.00 0.00 C ATOM 545 C GLY A 34 -5.408 5.713 2.004 1.00 0.00 C ATOM 546 O GLY A 34 -6.383 5.790 2.749 1.00 0.00 O ATOM 0 H GLY A 34 -5.179 8.055 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.859 7.576 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.499 6.548 1.500 1.00 0.00 H new ATOM 550 N TYR A 35 -5.113 4.633 1.285 1.00 0.00 N ATOM 551 CA TYR A 35 -5.888 3.408 1.389 1.00 0.00 C ATOM 552 C TYR A 35 -5.269 2.235 0.637 1.00 0.00 C ATOM 553 O TYR A 35 -4.589 2.433 -0.365 1.00 0.00 O ATOM 554 CB TYR A 35 -7.321 3.633 0.889 1.00 0.00 C ATOM 555 CG TYR A 35 -7.426 4.274 -0.487 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.145 3.531 -1.648 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.708 5.649 -0.598 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.155 4.152 -2.908 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.711 6.273 -1.858 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.432 5.525 -3.014 1.00 0.00 C ATOM 561 OH TYR A 35 -7.426 6.127 -4.237 1.00 0.00 O ATOM 0 H TYR A 35 -4.339 4.585 0.623 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.894 3.146 2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.838 2.673 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.847 4.262 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.920 2.477 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.923 6.227 0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.949 3.573 -3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.928 7.328 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.638 7.078 -4.134 1.00 0.00 H new ATOM 571 N ALA A 36 -5.569 1.015 1.098 1.00 0.00 N ATOM 572 CA ALA A 36 -5.255 -0.228 0.412 1.00 0.00 C ATOM 573 C ALA A 36 -6.527 -0.760 -0.243 1.00 0.00 C ATOM 574 O ALA A 36 -7.223 -1.597 0.333 1.00 0.00 O ATOM 575 CB ALA A 36 -4.673 -1.231 1.408 1.00 0.00 C ATOM 0 H ALA A 36 -6.051 0.869 1.985 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.508 -0.061 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.438 -2.162 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.764 -0.821 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.401 -1.426 2.195 1.00 0.00 H new ATOM 581 N LYS A 37 -6.837 -0.259 -1.443 1.00 0.00 N ATOM 582 CA LYS A 37 -7.972 -0.736 -2.224 1.00 0.00 C ATOM 583 C LYS A 37 -7.563 -1.977 -3.001 1.00 0.00 C ATOM 584 O LYS A 37 -6.380 -2.267 -3.135 1.00 0.00 O ATOM 585 CB LYS A 37 -8.469 0.348 -3.184 1.00 0.00 C ATOM 586 CG LYS A 37 -9.445 1.310 -2.505 1.00 0.00 C ATOM 587 CD LYS A 37 -10.872 0.764 -2.386 1.00 0.00 C ATOM 588 CE LYS A 37 -11.775 1.855 -1.801 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.180 1.422 -1.705 1.00 0.00 N ATOM 0 H LYS A 37 -6.307 0.486 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.788 -0.983 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.618 0.908 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.957 -0.120 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.073 1.547 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.469 2.244 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.240 0.455 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.885 -0.119 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.413 2.131 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.713 2.748 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.754 2.191 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.535 1.183 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.244 0.586 -1.090 1.00 0.00 H new ATOM 603 N ASN A 38 -8.564 -2.697 -3.514 1.00 0.00 N ATOM 604 CA ASN A 38 -8.370 -3.854 -4.383 1.00 0.00 C ATOM 605 C ASN A 38 -9.193 -3.644 -5.650 1.00 0.00 C ATOM 606 O ASN A 38 -10.366 -3.279 -5.563 1.00 0.00 O ATOM 607 CB ASN A 38 -8.789 -5.174 -3.716 1.00 0.00 C ATOM 608 CG ASN A 38 -8.168 -5.487 -2.362 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.285 -4.796 -1.863 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.646 -6.571 -1.754 1.00 0.00 N ATOM 0 H ASN A 38 -9.546 -2.487 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.306 -3.934 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.873 -5.166 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.548 -5.990 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.278 -6.850 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.380 -7.123 -2.198 1.00 0.00 H new ATOM 617 N LEU A 39 -8.594 -3.912 -6.814 1.00 0.00 N ATOM 618 CA LEU A 39 -9.294 -3.952 -8.089 1.00 0.00 C ATOM 619 C LEU A 39 -10.000 -5.295 -8.252 1.00 0.00 C ATOM 620 O LEU A 39 -9.982 -6.135 -7.355 1.00 0.00 O ATOM 621 CB LEU A 39 -8.296 -3.726 -9.241 1.00 0.00 C ATOM 622 CG LEU A 39 -7.704 -2.312 -9.274 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.834 -2.140 -10.525 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.802 -1.247 -9.322 1.00 0.00 C ATOM 0 H LEU A 39 -7.596 -4.109 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.042 -3.159 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.484 -4.448 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.798 -3.923 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.114 -2.186 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.417 -1.133 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.024 -2.869 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.443 -2.296 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.347 -0.257 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.408 -1.389 -10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.434 -1.336 -8.439 1.00 0.00 H new ATOM 636 N ASP A 40 -10.599 -5.495 -9.427 1.00 0.00 N ATOM 637 CA ASP A 40 -11.118 -6.783 -9.867 1.00 0.00 C ATOM 638 C ASP A 40 -10.075 -7.548 -10.691 1.00 0.00 C ATOM 639 O ASP A 40 -10.363 -8.649 -11.159 1.00 0.00 O ATOM 640 CB ASP A 40 -12.416 -6.567 -10.653 1.00 0.00 C ATOM 641 CG ASP A 40 -13.475 -5.863 -9.808 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.217 -6.584 -9.106 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.516 -4.615 -9.869 1.00 0.00 O ATOM 0 H ASP A 40 -10.738 -4.750 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.339 -7.397 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.208 -5.975 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.801 -7.529 -10.992 1.00 0.00 H new ATOM 648 N ASP A 41 -8.865 -6.993 -10.855 1.00 0.00 N ATOM 649 CA ASP A 41 -7.765 -7.656 -11.543 1.00 0.00 C ATOM 650 C ASP A 41 -7.108 -8.659 -10.600 1.00 0.00 C ATOM 651 O ASP A 41 -6.825 -9.796 -10.974 1.00 0.00 O ATOM 652 CB ASP A 41 -6.766 -6.585 -12.010 1.00 0.00 C ATOM 653 CG ASP A 41 -5.421 -7.175 -12.437 1.00 0.00 C ATOM 654 OD1 ASP A 41 -4.563 -7.341 -11.541 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.273 -7.440 -13.650 1.00 0.00 O ATOM 0 H ASP A 41 -8.628 -6.063 -10.508 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.126 -8.203 -12.414 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.197 -6.032 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.604 -5.869 -11.204 1.00 0.00 H new ATOM 660 N GLY A 42 -6.827 -8.184 -9.389 1.00 0.00 N ATOM 661 CA GLY A 42 -5.825 -8.729 -8.501 1.00 0.00 C ATOM 662 C GLY A 42 -5.108 -7.592 -7.776 1.00 0.00 C ATOM 663 O GLY A 42 -4.622 -7.780 -6.662 1.00 0.00 O ATOM 0 H GLY A 42 -7.313 -7.380 -8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.291 -9.398 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.107 -9.322 -9.067 1.00 0.00 H new ATOM 667 N SER A 43 -5.031 -6.416 -8.418 1.00 0.00 N ATOM 668 CA SER A 43 -4.148 -5.337 -8.005 1.00 0.00 C ATOM 669 C SER A 43 -4.601 -4.723 -6.685 1.00 0.00 C ATOM 670 O SER A 43 -5.683 -4.142 -6.619 1.00 0.00 O ATOM 671 CB SER A 43 -4.056 -4.259 -9.091 1.00 0.00 C ATOM 672 OG SER A 43 -4.319 -4.785 -10.374 1.00 0.00 O ATOM 0 H SER A 43 -5.588 -6.195 -9.243 1.00 0.00 H new ATOM 0 HA SER A 43 -3.156 -5.764 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.766 -3.461 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.061 -3.813 -9.078 1.00 0.00 H new ATOM 0 HG SER A 43 -3.498 -4.768 -10.909 1.00 0.00 H new ATOM 678 N VAL A 44 -3.764 -4.828 -5.649 1.00 0.00 N ATOM 679 CA VAL A 44 -3.993 -4.139 -4.390 1.00 0.00 C ATOM 680 C VAL A 44 -3.342 -2.765 -4.494 1.00 0.00 C ATOM 681 O VAL A 44 -2.122 -2.645 -4.442 1.00 0.00 O ATOM 682 CB VAL A 44 -3.498 -4.974 -3.201 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.738 -4.244 -1.872 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.262 -6.301 -3.194 1.00 0.00 C ATOM 0 H VAL A 44 -2.914 -5.392 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.058 -4.002 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.426 -5.142 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.377 -4.860 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.203 -3.294 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.805 -4.059 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.925 -6.910 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.330 -6.106 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.076 -6.833 -4.127 1.00 0.00 H new ATOM 694 N GLU A 45 -4.176 -1.741 -4.682 1.00 0.00 N ATOM 695 CA GLU A 45 -3.767 -0.361 -4.852 1.00 0.00 C ATOM 696 C GLU A 45 -3.457 0.230 -3.483 1.00 0.00 C ATOM 697 O GLU A 45 -4.355 0.718 -2.796 1.00 0.00 O ATOM 698 CB GLU A 45 -4.882 0.438 -5.532 1.00 0.00 C ATOM 699 CG GLU A 45 -5.479 -0.277 -6.742 1.00 0.00 C ATOM 700 CD GLU A 45 -6.505 0.616 -7.434 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.559 0.854 -6.805 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.219 1.053 -8.569 1.00 0.00 O ATOM 0 H GLU A 45 -5.188 -1.862 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.879 -0.314 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.672 0.636 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.488 1.405 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.687 -0.543 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.951 -1.207 -6.426 1.00 0.00 H new ATOM 709 N VAL A 46 -2.185 0.172 -3.088 1.00 0.00 N ATOM 710 CA VAL A 46 -1.746 0.702 -1.807 1.00 0.00 C ATOM 711 C VAL A 46 -1.328 2.148 -2.028 1.00 0.00 C ATOM 712 O VAL A 46 -0.368 2.413 -2.749 1.00 0.00 O ATOM 713 CB VAL A 46 -0.604 -0.122 -1.201 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.264 0.396 0.204 1.00 0.00 C ATOM 715 CG2 VAL A 46 -0.981 -1.604 -1.094 1.00 0.00 C ATOM 0 H VAL A 46 -1.438 -0.242 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.564 0.647 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 46 0.257 -0.019 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.548 -0.197 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.043 1.440 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.142 0.313 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.150 -2.160 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.860 -1.711 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.201 -1.996 -2.087 1.00 0.00 H new ATOM 725 N VAL A 47 -2.066 3.069 -1.410 1.00 0.00 N ATOM 726 CA VAL A 47 -1.855 4.499 -1.527 1.00 0.00 C ATOM 727 C VAL A 47 -1.491 5.047 -0.154 1.00 0.00 C ATOM 728 O VAL A 47 -2.150 4.722 0.833 1.00 0.00 O ATOM 729 CB VAL A 47 -3.090 5.215 -2.082 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.747 6.652 -2.481 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.689 4.488 -3.293 1.00 0.00 C ATOM 0 H VAL A 47 -2.847 2.828 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.044 4.680 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.833 5.218 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.638 7.143 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.387 7.196 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.972 6.642 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.562 5.034 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.946 4.432 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.986 3.480 -3.002 1.00 0.00 H new ATOM 741 N ALA A 48 -0.409 5.826 -0.114 1.00 0.00 N ATOM 742 CA ALA A 48 0.247 6.189 1.135 1.00 0.00 C ATOM 743 C ALA A 48 0.965 7.524 0.972 1.00 0.00 C ATOM 744 O ALA A 48 1.804 7.642 0.082 1.00 0.00 O ATOM 745 CB ALA A 48 1.265 5.092 1.443 1.00 0.00 C ATOM 0 H ALA A 48 0.033 6.220 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.480 6.286 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.781 5.326 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.751 4.136 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.990 5.031 0.632 1.00 0.00 H new ATOM 751 N CYS A 49 0.647 8.508 1.817 1.00 0.00 N ATOM 752 CA CYS A 49 1.224 9.848 1.766 1.00 0.00 C ATOM 753 C CYS A 49 2.405 10.002 2.724 1.00 0.00 C ATOM 754 O CYS A 49 2.741 9.086 3.470 1.00 0.00 O ATOM 755 CB CYS A 49 0.116 10.859 2.066 1.00 0.00 C ATOM 756 SG CYS A 49 -1.179 10.944 0.801 1.00 0.00 S ATOM 0 H CYS A 49 -0.032 8.390 2.569 1.00 0.00 H new ATOM 0 HA CYS A 49 1.627 10.029 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.342 10.605 3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.563 11.847 2.179 1.00 0.00 H new ATOM 761 N GLY A 50 3.033 11.181 2.686 1.00 0.00 N ATOM 762 CA GLY A 50 4.162 11.552 3.526 1.00 0.00 C ATOM 763 C GLY A 50 5.418 11.662 2.672 1.00 0.00 C ATOM 764 O GLY A 50 5.330 11.895 1.468 1.00 0.00 O ATOM 0 H GLY A 50 2.755 11.925 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.963 12.502 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.306 10.808 4.309 1.00 0.00 H new ATOM 768 N GLU A 51 6.582 11.484 3.301 1.00 0.00 N ATOM 769 CA GLU A 51 7.855 11.410 2.604 1.00 0.00 C ATOM 770 C GLU A 51 7.942 10.070 1.873 1.00 0.00 C ATOM 771 O GLU A 51 7.382 9.077 2.331 1.00 0.00 O ATOM 772 CB GLU A 51 9.003 11.539 3.610 1.00 0.00 C ATOM 773 CG GLU A 51 8.984 12.885 4.343 1.00 0.00 C ATOM 774 CD GLU A 51 10.103 12.947 5.376 1.00 0.00 C ATOM 775 OE1 GLU A 51 9.887 12.392 6.476 1.00 0.00 O ATOM 776 OE2 GLU A 51 11.155 13.535 5.045 1.00 0.00 O ATOM 0 H GLU A 51 6.662 11.387 4.313 1.00 0.00 H new ATOM 0 HA GLU A 51 7.931 12.223 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.938 10.730 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.954 11.424 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.098 13.698 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.021 13.025 4.833 1.00 0.00 H new ATOM 783 N GLU A 52 8.670 10.026 0.753 1.00 0.00 N ATOM 784 CA GLU A 52 8.925 8.776 0.052 1.00 0.00 C ATOM 785 C GLU A 52 9.633 7.805 0.998 1.00 0.00 C ATOM 786 O GLU A 52 9.225 6.656 1.138 1.00 0.00 O ATOM 787 CB GLU A 52 9.762 9.037 -1.205 1.00 0.00 C ATOM 788 CG GLU A 52 9.315 8.108 -2.339 1.00 0.00 C ATOM 789 CD GLU A 52 10.067 8.408 -3.631 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.713 9.425 -4.269 1.00 0.00 O ATOM 791 OE2 GLU A 52 10.981 7.620 -3.958 1.00 0.00 O ATOM 0 H GLU A 52 9.091 10.846 0.316 1.00 0.00 H new ATOM 0 HA GLU A 52 7.982 8.330 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.655 10.077 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.818 8.876 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.484 7.071 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.244 8.222 -2.504 1.00 0.00 H new ATOM 798 N GLY A 53 10.659 8.319 1.683 1.00 0.00 N ATOM 799 CA GLY A 53 11.389 7.663 2.749 1.00 0.00 C ATOM 800 C GLY A 53 10.474 6.997 3.780 1.00 0.00 C ATOM 801 O GLY A 53 10.719 5.859 4.173 1.00 0.00 O ATOM 0 H GLY A 53 11.015 9.256 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.051 6.911 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.022 8.394 3.252 1.00 0.00 H new ATOM 805 N GLN A 54 9.420 7.697 4.217 1.00 0.00 N ATOM 806 CA GLN A 54 8.450 7.174 5.173 1.00 0.00 C ATOM 807 C GLN A 54 7.648 6.028 4.557 1.00 0.00 C ATOM 808 O GLN A 54 7.549 4.952 5.146 1.00 0.00 O ATOM 809 CB GLN A 54 7.501 8.295 5.625 1.00 0.00 C ATOM 810 CG GLN A 54 8.116 9.221 6.682 1.00 0.00 C ATOM 811 CD GLN A 54 8.143 8.586 8.072 1.00 0.00 C ATOM 812 OE1 GLN A 54 9.164 8.047 8.492 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.022 8.652 8.796 1.00 0.00 N ATOM 0 H GLN A 54 9.219 8.649 3.912 1.00 0.00 H new ATOM 0 HA GLN A 54 8.991 6.791 6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.211 8.888 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.590 7.851 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.132 9.481 6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.547 10.150 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.194 9.108 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.994 8.246 9.732 1.00 0.00 H new ATOM 822 N VAL A 55 7.079 6.268 3.373 1.00 0.00 N ATOM 823 CA VAL A 55 6.267 5.297 2.650 1.00 0.00 C ATOM 824 C VAL A 55 7.064 4.035 2.296 1.00 0.00 C ATOM 825 O VAL A 55 6.501 2.944 2.306 1.00 0.00 O ATOM 826 CB VAL A 55 5.625 5.951 1.414 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.808 4.924 0.618 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.696 7.098 1.830 1.00 0.00 C ATOM 0 H VAL A 55 7.174 7.159 2.885 1.00 0.00 H new ATOM 0 HA VAL A 55 5.462 4.969 3.307 1.00 0.00 H new ATOM 0 HB VAL A 55 6.432 6.338 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.363 5.408 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.461 4.116 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.019 4.518 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.252 7.547 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.906 6.711 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.268 7.852 2.370 1.00 0.00 H new ATOM 838 N GLU A 56 8.370 4.158 2.040 1.00 0.00 N ATOM 839 CA GLU A 56 9.254 3.024 1.825 1.00 0.00 C ATOM 840 C GLU A 56 9.162 2.027 2.982 1.00 0.00 C ATOM 841 O GLU A 56 9.163 0.827 2.729 1.00 0.00 O ATOM 842 CB GLU A 56 10.689 3.522 1.636 1.00 0.00 C ATOM 843 CG GLU A 56 11.676 2.384 1.363 1.00 0.00 C ATOM 844 CD GLU A 56 13.108 2.903 1.351 1.00 0.00 C ATOM 845 OE1 GLU A 56 13.662 3.056 2.465 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.618 3.147 0.236 1.00 0.00 O ATOM 0 H GLU A 56 8.842 5.060 1.977 1.00 0.00 H new ATOM 0 HA GLU A 56 8.942 2.499 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.718 4.230 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.002 4.063 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.570 1.613 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.445 1.918 0.405 1.00 0.00 H new ATOM 853 N LYS A 57 9.091 2.489 4.237 1.00 0.00 N ATOM 854 CA LYS A 57 9.228 1.582 5.371 1.00 0.00 C ATOM 855 C LYS A 57 8.084 0.562 5.455 1.00 0.00 C ATOM 856 O LYS A 57 8.311 -0.561 5.902 1.00 0.00 O ATOM 857 CB LYS A 57 9.412 2.349 6.687 1.00 0.00 C ATOM 858 CG LYS A 57 10.495 3.442 6.634 1.00 0.00 C ATOM 859 CD LYS A 57 11.786 3.020 5.916 1.00 0.00 C ATOM 860 CE LYS A 57 12.871 4.088 6.078 1.00 0.00 C ATOM 861 NZ LYS A 57 14.028 3.817 5.205 1.00 0.00 N ATOM 0 H LYS A 57 8.942 3.467 4.485 1.00 0.00 H new ATOM 0 HA LYS A 57 10.137 1.004 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.462 2.807 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.665 1.640 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.085 4.319 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.741 3.742 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.139 2.072 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.583 2.859 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.457 5.068 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.198 4.122 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.622 4.668 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.586 3.033 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.693 3.558 4.255 1.00 0.00 H new ATOM 875 N LEU A 58 6.871 0.919 5.003 1.00 0.00 N ATOM 876 CA LEU A 58 5.754 -0.020 4.964 1.00 0.00 C ATOM 877 C LEU A 58 5.873 -0.963 3.761 1.00 0.00 C ATOM 878 O LEU A 58 5.541 -2.140 3.877 1.00 0.00 O ATOM 879 CB LEU A 58 4.405 0.713 5.061 1.00 0.00 C ATOM 880 CG LEU A 58 3.853 1.272 3.738 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.897 0.273 3.075 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.096 2.577 3.990 1.00 0.00 C ATOM 0 H LEU A 58 6.645 1.853 4.661 1.00 0.00 H new ATOM 0 HA LEU A 58 5.797 -0.660 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.669 0.027 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.510 1.537 5.767 1.00 0.00 H new ATOM 0 HG LEU A 58 4.701 1.452 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.521 0.693 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.428 -0.656 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.061 0.071 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.711 2.962 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.266 2.390 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.771 3.310 4.432 1.00 0.00 H new ATOM 894 N MET A 59 6.371 -0.477 2.613 1.00 0.00 N ATOM 895 CA MET A 59 6.604 -1.317 1.447 1.00 0.00 C ATOM 896 C MET A 59 7.673 -2.373 1.731 1.00 0.00 C ATOM 897 O MET A 59 7.511 -3.536 1.360 1.00 0.00 O ATOM 898 CB MET A 59 6.954 -0.477 0.219 1.00 0.00 C ATOM 899 CG MET A 59 5.831 0.500 -0.138 1.00 0.00 C ATOM 900 SD MET A 59 5.845 1.106 -1.848 1.00 0.00 S ATOM 901 CE MET A 59 7.400 2.036 -1.849 1.00 0.00 C ATOM 0 H MET A 59 6.619 0.503 2.476 1.00 0.00 H new ATOM 0 HA MET A 59 5.676 -1.844 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.873 0.078 0.408 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.147 -1.135 -0.629 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.874 0.012 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.889 1.356 0.534 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.560 2.476 -2.833 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.351 2.828 -1.101 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.226 1.365 -1.613 1.00 0.00 H new ATOM 911 N GLN A 60 8.745 -1.971 2.419 1.00 0.00 N ATOM 912 CA GLN A 60 9.777 -2.863 2.918 1.00 0.00 C ATOM 913 C GLN A 60 9.200 -4.025 3.732 1.00 0.00 C ATOM 914 O GLN A 60 9.787 -5.106 3.721 1.00 0.00 O ATOM 915 CB GLN A 60 10.797 -2.059 3.738 1.00 0.00 C ATOM 916 CG GLN A 60 11.748 -1.258 2.834 1.00 0.00 C ATOM 917 CD GLN A 60 12.734 -2.159 2.091 1.00 0.00 C ATOM 918 OE1 GLN A 60 12.574 -2.419 0.899 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.755 -2.647 2.795 1.00 0.00 N ATOM 0 H GLN A 60 8.917 -0.992 2.646 1.00 0.00 H new ATOM 0 HA GLN A 60 10.279 -3.313 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.271 -1.378 4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.376 -2.737 4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.165 -0.687 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.300 -0.538 3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.854 -2.409 3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.437 -3.259 2.347 1.00 0.00 H new ATOM 928 N TRP A 61 8.054 -3.831 4.405 1.00 0.00 N ATOM 929 CA TRP A 61 7.339 -4.927 5.036 1.00 0.00 C ATOM 930 C TRP A 61 6.441 -5.649 4.023 1.00 0.00 C ATOM 931 O TRP A 61 6.377 -6.874 4.084 1.00 0.00 O ATOM 932 CB TRP A 61 6.555 -4.451 6.268 1.00 0.00 C ATOM 933 CG TRP A 61 5.422 -5.363 6.621 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.531 -6.588 7.183 1.00 0.00 C ATOM 935 CD2 TRP A 61 4.031 -5.234 6.219 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.315 -7.238 7.125 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.362 -6.457 6.502 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.287 -4.216 5.590 1.00 0.00 C ATOM 939 CZ2 TRP A 61 2.018 -6.668 6.157 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.928 -4.402 5.283 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.298 -5.630 5.548 1.00 0.00 C ATOM 0 H TRP A 61 7.611 -2.920 4.520 1.00 0.00 H new ATOM 0 HA TRP A 61 8.073 -5.649 5.392 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.233 -4.375 7.118 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.165 -3.450 6.081 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.434 -6.996 7.613 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.143 -8.173 7.494 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.767 -3.281 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.544 -7.618 6.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.363 -3.595 4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.261 -5.774 5.283 1.00 0.00 H new ATOM 952 N LEU A 62 5.737 -4.941 3.120 1.00 0.00 N ATOM 953 CA LEU A 62 4.773 -5.568 2.210 1.00 0.00 C ATOM 954 C LEU A 62 5.404 -6.721 1.433 1.00 0.00 C ATOM 955 O LEU A 62 4.824 -7.804 1.366 1.00 0.00 O ATOM 956 CB LEU A 62 4.156 -4.559 1.226 1.00 0.00 C ATOM 957 CG LEU A 62 3.009 -3.751 1.848 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.665 -2.556 0.952 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.721 -4.574 1.988 1.00 0.00 C ATOM 0 H LEU A 62 5.822 -3.931 3.005 1.00 0.00 H new ATOM 0 HA LEU A 62 3.974 -5.960 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.931 -3.875 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.786 -5.092 0.350 1.00 0.00 H new ATOM 0 HG LEU A 62 3.356 -3.441 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.850 -1.988 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.540 -1.915 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.359 -2.914 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.941 -3.956 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.398 -4.914 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.908 -5.437 2.626 1.00 0.00 H new ATOM 971 N LYS A 63 6.602 -6.504 0.876 1.00 0.00 N ATOM 972 CA LYS A 63 7.327 -7.519 0.120 1.00 0.00 C ATOM 973 C LYS A 63 7.608 -8.793 0.936 1.00 0.00 C ATOM 974 O LYS A 63 7.771 -9.864 0.354 1.00 0.00 O ATOM 975 CB LYS A 63 8.613 -6.893 -0.433 1.00 0.00 C ATOM 976 CG LYS A 63 9.625 -6.589 0.681 1.00 0.00 C ATOM 977 CD LYS A 63 10.519 -5.395 0.337 1.00 0.00 C ATOM 978 CE LYS A 63 11.412 -5.651 -0.877 1.00 0.00 C ATOM 979 NZ LYS A 63 12.247 -4.472 -1.177 1.00 0.00 N ATOM 0 H LYS A 63 7.094 -5.613 0.941 1.00 0.00 H new ATOM 0 HA LYS A 63 6.698 -7.851 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.064 -7.570 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.370 -5.973 -0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.091 -6.386 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.246 -7.468 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.894 -4.523 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.144 -5.156 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.050 -6.514 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.795 -5.894 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.211 -4.781 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.840 -3.954 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.279 -3.849 -0.345 1.00 0.00 H new ATOM 993 N SER A 64 7.655 -8.679 2.271 1.00 0.00 N ATOM 994 CA SER A 64 7.899 -9.762 3.215 1.00 0.00 C ATOM 995 C SER A 64 6.615 -10.167 3.957 1.00 0.00 C ATOM 996 O SER A 64 6.656 -11.077 4.784 1.00 0.00 O ATOM 997 CB SER A 64 8.982 -9.310 4.204 1.00 0.00 C ATOM 998 OG SER A 64 9.371 -10.377 5.043 1.00 0.00 O ATOM 0 H SER A 64 7.516 -7.783 2.737 1.00 0.00 H new ATOM 0 HA SER A 64 8.237 -10.643 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.848 -8.937 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.607 -8.484 4.808 1.00 0.00 H new ATOM 0 HG SER A 64 8.612 -10.983 5.174 1.00 0.00 H new ATOM 1004 N GLY A 65 5.482 -9.505 3.678 1.00 0.00 N ATOM 1005 CA GLY A 65 4.207 -9.750 4.335 1.00 0.00 C ATOM 1006 C GLY A 65 3.707 -11.175 4.101 1.00 0.00 C ATOM 1007 O GLY A 65 3.072 -11.755 4.979 1.00 0.00 O ATOM 0 H GLY A 65 5.435 -8.770 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.311 -9.573 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.466 -9.041 3.965 1.00 0.00 H new ATOM 1011 N GLY A 66 4.002 -11.740 2.925 1.00 0.00 N ATOM 1012 CA GLY A 66 3.630 -13.105 2.596 1.00 0.00 C ATOM 1013 C GLY A 66 4.007 -13.440 1.154 1.00 0.00 C ATOM 1014 O GLY A 66 3.113 -13.636 0.335 1.00 0.00 O ATOM 0 H GLY A 66 4.505 -11.258 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.128 -13.796 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.557 -13.238 2.736 1.00 0.00 H new ATOM 1018 N PRO A 67 5.306 -13.511 0.819 1.00 0.00 N ATOM 1019 CA PRO A 67 5.772 -13.673 -0.552 1.00 0.00 C ATOM 1020 C PRO A 67 5.315 -15.001 -1.169 1.00 0.00 C ATOM 1021 O PRO A 67 4.854 -15.023 -2.308 1.00 0.00 O ATOM 1022 CB PRO A 67 7.299 -13.549 -0.486 1.00 0.00 C ATOM 1023 CG PRO A 67 7.638 -13.921 0.957 1.00 0.00 C ATOM 1024 CD PRO A 67 6.430 -13.401 1.735 1.00 0.00 C ATOM 0 HA PRO A 67 5.346 -12.914 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.785 -14.219 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.628 -12.538 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.764 -14.997 1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.565 -13.452 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.261 -13.989 2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.580 -12.369 2.051 1.00 0.00 H new ATOM 1032 N ARG A 68 5.438 -16.104 -0.421 1.00 0.00 N ATOM 1033 CA ARG A 68 5.033 -17.426 -0.882 1.00 0.00 C ATOM 1034 C ARG A 68 3.510 -17.556 -1.007 1.00 0.00 C ATOM 1035 O ARG A 68 3.031 -18.275 -1.882 1.00 0.00 O ATOM 1036 CB ARG A 68 5.631 -18.517 0.021 1.00 0.00 C ATOM 1037 CG ARG A 68 5.109 -18.484 1.463 1.00 0.00 C ATOM 1038 CD ARG A 68 5.795 -19.568 2.301 1.00 0.00 C ATOM 1039 NE ARG A 68 5.364 -19.520 3.706 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.214 -20.021 4.191 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.330 -20.626 3.386 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.948 -19.910 5.499 1.00 0.00 N ATOM 0 H ARG A 68 5.823 -16.099 0.523 1.00 0.00 H new ATOM 0 HA ARG A 68 5.432 -17.564 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.413 -19.493 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.716 -18.410 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.294 -17.504 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.030 -18.638 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.568 -20.549 1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.876 -19.441 2.247 1.00 0.00 H new ATOM 0 HE ARG A 68 5.992 -19.067 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.524 -20.712 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.463 -21.000 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.615 -19.449 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.078 -20.287 5.876 1.00 0.00 H new ATOM 1056 N SER A 69 2.749 -16.886 -0.133 1.00 0.00 N ATOM 1057 CA SER A 69 1.295 -16.968 -0.118 1.00 0.00 C ATOM 1058 C SER A 69 0.701 -15.980 -1.122 1.00 0.00 C ATOM 1059 O SER A 69 0.240 -16.382 -2.189 1.00 0.00 O ATOM 1060 CB SER A 69 0.766 -16.763 1.307 1.00 0.00 C ATOM 1061 OG SER A 69 1.276 -15.581 1.891 1.00 0.00 O ATOM 0 H SER A 69 3.133 -16.271 0.584 1.00 0.00 H new ATOM 0 HA SER A 69 0.980 -17.964 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.323 -16.718 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.039 -17.620 1.923 1.00 0.00 H new ATOM 0 HG SER A 69 0.916 -15.482 2.797 1.00 0.00 H new ATOM 1067 N ALA A 70 0.731 -14.692 -0.775 1.00 0.00 N ATOM 1068 CA ALA A 70 0.306 -13.603 -1.640 1.00 0.00 C ATOM 1069 C ALA A 70 1.250 -13.520 -2.836 1.00 0.00 C ATOM 1070 O ALA A 70 2.415 -13.153 -2.687 1.00 0.00 O ATOM 1071 CB ALA A 70 0.275 -12.292 -0.855 1.00 0.00 C ATOM 0 H ALA A 70 1.060 -14.376 0.137 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.703 -13.788 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.044 -11.482 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.424 -12.382 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.271 -12.075 -0.470 1.00 0.00 H new ATOM 1077 N ARG A 71 0.749 -13.903 -4.014 1.00 0.00 N ATOM 1078 CA ARG A 71 1.568 -14.115 -5.196 1.00 0.00 C ATOM 1079 C ARG A 71 1.729 -12.791 -5.937 1.00 0.00 C ATOM 1080 O ARG A 71 1.069 -12.562 -6.948 1.00 0.00 O ATOM 1081 CB ARG A 71 0.930 -15.217 -6.055 1.00 0.00 C ATOM 1082 CG ARG A 71 1.774 -15.659 -7.262 1.00 0.00 C ATOM 1083 CD ARG A 71 3.187 -16.137 -6.904 1.00 0.00 C ATOM 1084 NE ARG A 71 3.168 -17.181 -5.868 1.00 0.00 N ATOM 1085 CZ ARG A 71 4.261 -17.753 -5.337 1.00 0.00 C ATOM 1086 NH1 ARG A 71 5.489 -17.376 -5.718 1.00 0.00 N ATOM 1087 NH2 ARG A 71 4.125 -18.713 -4.416 1.00 0.00 N ATOM 0 H ARG A 71 -0.245 -14.074 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 71 2.569 -14.455 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.739 -16.086 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.037 -14.865 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.252 -16.463 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.851 -14.826 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.677 -16.522 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.779 -15.291 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 71 2.258 -17.493 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.603 -16.645 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.310 -17.820 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.194 -19.008 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.952 -19.151 -4.010 1.00 0.00 H new ATOM 1101 N VAL A 72 2.599 -11.920 -5.409 1.00 0.00 N ATOM 1102 CA VAL A 72 2.881 -10.600 -5.957 1.00 0.00 C ATOM 1103 C VAL A 72 3.587 -10.747 -7.308 1.00 0.00 C ATOM 1104 O VAL A 72 4.787 -11.014 -7.356 1.00 0.00 O ATOM 1105 CB VAL A 72 3.727 -9.781 -4.962 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.051 -8.397 -5.543 1.00 0.00 C ATOM 1107 CG2 VAL A 72 2.995 -9.589 -3.625 1.00 0.00 C ATOM 0 H VAL A 72 3.137 -12.126 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 72 1.947 -10.061 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 72 4.647 -10.340 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.649 -7.833 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.611 -8.514 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.124 -7.861 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.621 -9.007 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.057 -9.061 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.787 -10.562 -3.181 1.00 0.00 H new ATOM 1117 N GLU A 73 2.840 -10.558 -8.401 1.00 0.00 N ATOM 1118 CA GLU A 73 3.361 -10.591 -9.759 1.00 0.00 C ATOM 1119 C GLU A 73 4.239 -9.366 -10.039 1.00 0.00 C ATOM 1120 O GLU A 73 5.383 -9.525 -10.461 1.00 0.00 O ATOM 1121 CB GLU A 73 2.192 -10.658 -10.752 1.00 0.00 C ATOM 1122 CG GLU A 73 1.481 -12.017 -10.720 1.00 0.00 C ATOM 1123 CD GLU A 73 2.373 -13.156 -11.209 1.00 0.00 C ATOM 1124 OE1 GLU A 73 2.658 -13.172 -12.425 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.752 -13.989 -10.357 1.00 0.00 O ATOM 0 H GLU A 73 1.838 -10.375 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 73 3.984 -11.478 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.476 -9.870 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.562 -10.467 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.153 -12.228 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.586 -11.970 -11.340 1.00 0.00 H new ATOM 1132 N ARG A 74 3.707 -8.152 -9.829 1.00 0.00 N ATOM 1133 CA ARG A 74 4.385 -6.902 -10.164 1.00 0.00 C ATOM 1134 C ARG A 74 3.918 -5.784 -9.230 1.00 0.00 C ATOM 1135 O ARG A 74 2.785 -5.803 -8.763 1.00 0.00 O ATOM 1136 CB ARG A 74 4.095 -6.519 -11.628 1.00 0.00 C ATOM 1137 CG ARG A 74 5.179 -6.949 -12.631 1.00 0.00 C ATOM 1138 CD ARG A 74 6.515 -6.213 -12.450 1.00 0.00 C ATOM 1139 NE ARG A 74 6.341 -4.752 -12.520 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.740 -3.841 -11.612 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.471 -4.180 -10.538 1.00 0.00 N ATOM 1142 NH2 ARG A 74 6.389 -2.561 -11.778 1.00 0.00 N ATOM 0 H ARG A 74 2.784 -8.015 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 74 5.459 -7.041 -10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.146 -6.966 -11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.971 -5.438 -11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.349 -8.021 -12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.814 -6.777 -13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.953 -6.483 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.216 -6.534 -13.221 1.00 0.00 H new ATOM 0 HE ARG A 74 5.866 -4.391 -13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.741 -5.153 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.757 -3.465 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.827 -2.287 -12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.683 -1.859 -11.099 1.00 0.00 H new ATOM 1156 N VAL A 75 4.801 -4.812 -8.965 1.00 0.00 N ATOM 1157 CA VAL A 75 4.547 -3.671 -8.095 1.00 0.00 C ATOM 1158 C VAL A 75 4.884 -2.376 -8.838 1.00 0.00 C ATOM 1159 O VAL A 75 6.059 -2.034 -8.964 1.00 0.00 O ATOM 1160 CB VAL A 75 5.369 -3.811 -6.803 1.00 0.00 C ATOM 1161 CG1 VAL A 75 5.001 -2.679 -5.836 1.00 0.00 C ATOM 1162 CG2 VAL A 75 5.092 -5.159 -6.124 1.00 0.00 C ATOM 0 H VAL A 75 5.739 -4.804 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 75 3.493 -3.639 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 75 6.427 -3.756 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.584 -2.779 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.218 -1.718 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.939 -2.735 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.684 -5.236 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.033 -5.231 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.362 -5.970 -6.801 1.00 0.00 H new ATOM 1172 N LEU A 76 3.862 -1.662 -9.333 1.00 0.00 N ATOM 1173 CA LEU A 76 4.031 -0.405 -10.061 1.00 0.00 C ATOM 1174 C LEU A 76 3.629 0.772 -9.178 1.00 0.00 C ATOM 1175 O LEU A 76 2.448 0.923 -8.875 1.00 0.00 O ATOM 1176 CB LEU A 76 3.154 -0.414 -11.318 1.00 0.00 C ATOM 1177 CG LEU A 76 3.273 0.867 -12.163 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.664 1.031 -12.787 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.217 0.813 -13.271 1.00 0.00 C ATOM 0 H LEU A 76 2.888 -1.947 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 76 5.079 -0.302 -10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.425 -1.272 -11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.113 -0.549 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 76 3.115 1.724 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.694 1.950 -13.372 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.414 1.079 -11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.874 0.181 -13.436 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.285 1.713 -13.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.389 -0.064 -13.896 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.224 0.751 -12.825 1.00 0.00 H new ATOM 1191 N SER A 77 4.590 1.627 -8.820 1.00 0.00 N ATOM 1192 CA SER A 77 4.320 2.897 -8.161 1.00 0.00 C ATOM 1193 C SER A 77 4.356 4.032 -9.184 1.00 0.00 C ATOM 1194 O SER A 77 5.249 4.083 -10.028 1.00 0.00 O ATOM 1195 CB SER A 77 5.349 3.173 -7.067 1.00 0.00 C ATOM 1196 OG SER A 77 5.532 2.038 -6.245 1.00 0.00 O ATOM 0 H SER A 77 5.582 1.452 -8.982 1.00 0.00 H new ATOM 0 HA SER A 77 3.331 2.840 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.299 3.455 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.022 4.017 -6.460 1.00 0.00 H new ATOM 0 HG SER A 77 6.197 2.239 -5.553 1.00 0.00 H new ATOM 1202 N GLU A 78 3.402 4.954 -9.060 1.00 0.00 N ATOM 1203 CA GLU A 78 3.325 6.205 -9.808 1.00 0.00 C ATOM 1204 C GLU A 78 3.106 7.349 -8.815 1.00 0.00 C ATOM 1205 O GLU A 78 2.463 7.129 -7.787 1.00 0.00 O ATOM 1206 CB GLU A 78 2.167 6.163 -10.815 1.00 0.00 C ATOM 1207 CG GLU A 78 2.493 5.312 -12.052 1.00 0.00 C ATOM 1208 CD GLU A 78 1.349 5.290 -13.068 1.00 0.00 C ATOM 1209 OE1 GLU A 78 0.393 6.072 -12.891 1.00 0.00 O ATOM 1210 OE2 GLU A 78 1.457 4.476 -14.014 1.00 0.00 O ATOM 0 H GLU A 78 2.628 4.843 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 78 4.251 6.355 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.279 5.762 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.927 7.178 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.392 5.702 -12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.716 4.292 -11.739 1.00 0.00 H new ATOM 1217 N PRO A 79 3.609 8.563 -9.104 1.00 0.00 N ATOM 1218 CA PRO A 79 3.468 9.717 -8.230 1.00 0.00 C ATOM 1219 C PRO A 79 1.994 10.120 -8.131 1.00 0.00 C ATOM 1220 O PRO A 79 1.402 10.605 -9.095 1.00 0.00 O ATOM 1221 CB PRO A 79 4.343 10.815 -8.845 1.00 0.00 C ATOM 1222 CG PRO A 79 4.375 10.451 -10.327 1.00 0.00 C ATOM 1223 CD PRO A 79 4.354 8.923 -10.300 1.00 0.00 C ATOM 0 HA PRO A 79 3.789 9.514 -7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.918 11.806 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.343 10.823 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.517 10.858 -10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.269 10.835 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.877 8.522 -11.194 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.365 8.518 -10.269 1.00 0.00 H new ATOM 1231 N HIS A 80 1.408 9.890 -6.953 1.00 0.00 N ATOM 1232 CA HIS A 80 0.000 10.088 -6.676 1.00 0.00 C ATOM 1233 C HIS A 80 -0.219 11.518 -6.193 1.00 0.00 C ATOM 1234 O HIS A 80 0.236 11.889 -5.113 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.460 9.071 -5.620 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.953 8.869 -5.587 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.665 8.346 -6.654 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.845 9.137 -4.579 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.948 8.294 -6.263 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.100 8.767 -5.016 1.00 0.00 N ATOM 0 H HIS A 80 1.927 9.549 -6.144 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.589 9.933 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.024 8.114 -5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.125 9.403 -4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.607 9.562 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.756 7.919 -6.874 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.973 8.839 -4.494 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.923 12.313 -7.001 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.253 13.702 -6.729 1.00 0.00 C ATOM 1251 C HIS A 81 -2.760 13.855 -6.469 1.00 0.00 C ATOM 1252 O HIS A 81 -3.470 14.389 -7.320 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.761 14.535 -7.924 1.00 0.00 C ATOM 1254 CG HIS A 81 -1.064 13.960 -9.288 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -2.340 13.906 -9.824 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.205 13.392 -10.193 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -2.221 13.320 -11.027 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.946 12.991 -11.287 1.00 0.00 N ATOM 0 H HIS A 81 -1.290 11.989 -7.896 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.760 14.059 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.207 15.528 -7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.318 14.664 -7.835 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -3.200 14.244 -9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.862 13.278 -10.072 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.046 13.137 -11.699 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.278 13.398 -5.315 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.694 13.489 -5.001 1.00 0.00 C ATOM 1269 C PRO A 82 -5.072 14.938 -4.691 1.00 0.00 C ATOM 1270 O PRO A 82 -4.359 15.624 -3.963 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.906 12.581 -3.786 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.555 12.636 -3.075 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.568 12.726 -4.239 1.00 0.00 C ATOM 0 HA PRO A 82 -5.323 13.177 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.713 12.942 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.165 11.564 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.480 13.499 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.382 11.750 -2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.676 13.283 -3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.238 11.734 -4.549 1.00 0.00 H new ATOM 1281 N SER A 83 -6.202 15.394 -5.243 1.00 0.00 N ATOM 1282 CA SER A 83 -6.760 16.701 -4.935 1.00 0.00 C ATOM 1283 C SER A 83 -7.327 16.689 -3.514 1.00 0.00 C ATOM 1284 O SER A 83 -7.956 15.711 -3.108 1.00 0.00 O ATOM 1285 CB SER A 83 -7.825 17.077 -5.971 1.00 0.00 C ATOM 1286 OG SER A 83 -8.878 16.133 -5.994 1.00 0.00 O ATOM 0 H SER A 83 -6.751 14.860 -5.917 1.00 0.00 H new ATOM 0 HA SER A 83 -5.978 17.459 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.225 18.065 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.368 17.139 -6.959 1.00 0.00 H new ATOM 0 HG SER A 83 -9.542 16.400 -6.663 1.00 0.00 H new ATOM 1292 N GLY A 84 -7.078 17.757 -2.749 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.433 17.808 -1.338 1.00 0.00 C ATOM 1294 C GLY A 84 -6.577 16.831 -0.533 1.00 0.00 C ATOM 1295 O GLY A 84 -5.514 16.407 -0.985 1.00 0.00 O ATOM 0 H GLY A 84 -6.626 18.604 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.293 18.820 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.488 17.564 -1.214 1.00 0.00 H new ATOM 1299 N GLU A 85 -7.055 16.475 0.663 1.00 0.00 N ATOM 1300 CA GLU A 85 -6.403 15.529 1.557 1.00 0.00 C ATOM 1301 C GLU A 85 -7.438 14.582 2.166 1.00 0.00 C ATOM 1302 O GLU A 85 -8.572 14.983 2.428 1.00 0.00 O ATOM 1303 CB GLU A 85 -5.610 16.290 2.628 1.00 0.00 C ATOM 1304 CG GLU A 85 -6.477 17.178 3.533 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.613 17.955 4.522 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -5.117 17.309 5.472 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -5.457 19.177 4.309 1.00 0.00 O ATOM 0 H GLU A 85 -7.926 16.848 1.040 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.696 14.917 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.074 15.571 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.860 16.911 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.053 17.873 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.193 16.561 4.076 1.00 0.00 H new ATOM 1314 N LEU A 86 -7.031 13.326 2.387 1.00 0.00 N ATOM 1315 CA LEU A 86 -7.792 12.329 3.124 1.00 0.00 C ATOM 1316 C LEU A 86 -7.213 12.256 4.537 1.00 0.00 C ATOM 1317 O LEU A 86 -5.995 12.284 4.704 1.00 0.00 O ATOM 1318 CB LEU A 86 -7.695 10.977 2.401 1.00 0.00 C ATOM 1319 CG LEU A 86 -8.395 9.823 3.141 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -9.911 10.019 3.254 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -8.115 8.512 2.401 1.00 0.00 C ATOM 0 H LEU A 86 -6.137 12.973 2.045 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.848 12.594 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.131 11.076 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.644 10.724 2.265 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.995 9.799 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.349 9.174 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.119 10.938 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.345 10.084 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.608 7.689 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.497 8.580 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.040 8.332 2.374 1.00 0.00 H new ATOM 1333 N THR A 87 -8.083 12.179 5.548 1.00 0.00 N ATOM 1334 CA THR A 87 -7.698 12.233 6.950 1.00 0.00 C ATOM 1335 C THR A 87 -6.865 11.013 7.359 1.00 0.00 C ATOM 1336 O THR A 87 -5.836 11.174 8.011 1.00 0.00 O ATOM 1337 CB THR A 87 -8.960 12.364 7.817 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.811 13.354 7.276 1.00 0.00 O ATOM 1339 CG2 THR A 87 -8.611 12.749 9.259 1.00 0.00 C ATOM 0 H THR A 87 -9.088 12.076 5.407 1.00 0.00 H new ATOM 0 HA THR A 87 -7.064 13.106 7.105 1.00 0.00 H new ATOM 0 HB THR A 87 -9.459 11.395 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.615 13.433 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.526 12.833 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.970 11.983 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.088 13.705 9.264 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.331 9.806 7.008 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.824 8.546 7.548 1.00 0.00 C ATOM 1349 C ASP A 88 -6.479 7.549 6.440 1.00 0.00 C ATOM 1350 O ASP A 88 -6.967 7.655 5.316 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.889 7.934 8.469 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.234 8.855 9.636 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -7.373 8.978 10.535 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -9.346 9.422 9.603 1.00 0.00 O ATOM 0 H ASP A 88 -8.083 9.681 6.330 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.909 8.757 8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.790 7.726 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.530 6.980 8.854 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.658 6.552 6.791 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.431 5.359 5.998 1.00 0.00 C ATOM 1361 C PHE A 89 -6.521 4.330 6.308 1.00 0.00 C ATOM 1362 O PHE A 89 -6.990 4.248 7.443 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.030 4.814 6.286 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.766 3.429 5.737 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.506 3.243 4.365 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.874 2.313 6.587 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.363 1.943 3.847 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.727 1.017 6.070 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.487 0.831 4.699 1.00 0.00 C ATOM 0 H PHE A 89 -5.123 6.562 7.660 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.484 5.592 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.294 5.502 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.876 4.798 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.417 4.098 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.070 2.454 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.158 1.799 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.798 0.162 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.397 -0.168 4.298 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.921 3.550 5.297 1.00 0.00 N ATOM 1380 CA ARG A 90 -7.970 2.539 5.416 1.00 0.00 C ATOM 1381 C ARG A 90 -7.667 1.331 4.527 1.00 0.00 C ATOM 1382 O ARG A 90 -6.693 1.336 3.779 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.345 3.171 5.143 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.412 3.854 3.775 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.680 4.696 3.623 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.658 5.422 2.345 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.313 6.567 2.086 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.140 7.111 2.991 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.132 7.172 0.904 1.00 0.00 N ATOM 0 H ARG A 90 -6.518 3.607 4.362 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.996 2.158 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.114 2.400 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.568 3.901 5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.536 4.489 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.381 3.099 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.559 4.054 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.757 5.402 4.449 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.099 5.023 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.280 6.655 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.629 7.980 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.503 6.763 0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.623 8.041 0.695 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.477 0.270 4.641 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.259 -0.996 3.950 1.00 0.00 C ATOM 1405 C ILE A 91 -9.585 -1.565 3.450 1.00 0.00 C ATOM 1406 O ILE A 91 -10.636 -1.300 4.033 1.00 0.00 O ATOM 1407 CB ILE A 91 -7.571 -2.015 4.886 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.402 -2.303 6.153 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -6.149 -1.553 5.228 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.839 -3.461 6.984 1.00 0.00 C ATOM 0 H ILE A 91 -9.313 0.273 5.226 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.608 -0.810 3.096 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.501 -2.961 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.439 -1.405 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.427 -2.534 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.678 -2.282 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.565 -1.463 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.191 -0.585 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.465 -3.617 7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.827 -4.369 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.824 -3.222 7.300 1.00 0.00 H new ATOM 1422 N ARG A 92 -9.517 -2.397 2.405 1.00 0.00 N ATOM 1423 CA ARG A 92 -10.551 -3.375 2.107 1.00 0.00 C ATOM 1424 C ARG A 92 -10.681 -4.369 3.262 1.00 0.00 C ATOM 1425 O ARG A 92 -11.840 -4.679 3.615 1.00 0.00 O ATOM 1426 CB ARG A 92 -10.174 -4.118 0.826 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.157 -3.150 -0.359 1.00 0.00 C ATOM 1428 CD ARG A 92 -11.474 -3.138 -1.132 1.00 0.00 C ATOM 1429 NE ARG A 92 -11.700 -4.400 -1.851 1.00 0.00 N ATOM 1430 CZ ARG A 92 -12.460 -4.553 -2.952 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -13.132 -3.522 -3.482 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -12.539 -5.758 -3.533 1.00 0.00 N ATOM 1433 OXT ARG A 92 -9.623 -4.814 3.758 1.00 0.00 O ATOM 0 H ARG A 92 -8.739 -2.406 1.745 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.506 -2.868 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.194 -4.582 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.887 -4.921 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.944 -2.144 0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.347 -3.424 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.299 -2.961 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.470 -2.311 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.241 -5.233 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.073 -2.599 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.702 -3.660 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.026 -6.548 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.112 -5.885 -4.367 1.00 0.00 H new TER 1447 ARG A 92