USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 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 Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0505) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0206 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.761 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -38:sc= 0.423 USER MOD Single : A 23 THR OG1 : rot -120:sc= 0.177 USER MOD Single : A 24 GLN : amide:sc= -0.471 K(o=-0.47,f=-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= -0.0047 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= 0.401 K(o=0.4,f=-8.5!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc=-8.39e-05 (180deg=-0.0399) USER MOD Single : A 59 MET CE :methyl -178:sc= 0 (180deg=-0.0041) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-0.05) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0158 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.035 22.560 0.114 1.00 0.00 N ATOM 2 CA MET A 1 4.509 21.317 -0.521 1.00 0.00 C ATOM 3 C MET A 1 5.259 20.436 0.478 1.00 0.00 C ATOM 4 O MET A 1 5.973 20.964 1.326 1.00 0.00 O ATOM 5 CB MET A 1 5.368 21.610 -1.764 1.00 0.00 C ATOM 6 CG MET A 1 6.545 22.559 -1.488 1.00 0.00 C ATOM 7 SD MET A 1 7.720 22.737 -2.858 1.00 0.00 S ATOM 8 CE MET A 1 8.590 21.151 -2.741 1.00 0.00 C ATOM 0 H1 MET A 1 4.099 23.344 -0.567 1.00 0.00 H new ATOM 0 H2 MET A 1 3.046 22.442 0.414 1.00 0.00 H new ATOM 0 H3 MET A 1 4.625 22.773 0.944 1.00 0.00 H new ATOM 0 HA MET A 1 3.631 20.765 -0.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.755 20.670 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.736 22.044 -2.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.148 23.543 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.084 22.201 -0.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.432 21.146 -3.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.956 21.011 -1.724 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.906 20.341 -2.995 1.00 0.00 H new ATOM 20 N SER A 2 5.091 19.109 0.364 1.00 0.00 N ATOM 21 CA SER A 2 5.813 18.088 1.123 1.00 0.00 C ATOM 22 C SER A 2 5.242 16.712 0.772 1.00 0.00 C ATOM 23 O SER A 2 5.968 15.836 0.306 1.00 0.00 O ATOM 24 CB SER A 2 5.730 18.321 2.643 1.00 0.00 C ATOM 25 OG SER A 2 6.841 19.055 3.111 1.00 0.00 O ATOM 0 H SER A 2 4.419 18.706 -0.289 1.00 0.00 H new ATOM 0 HA SER A 2 6.867 18.145 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.811 18.857 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.682 17.362 3.158 1.00 0.00 H new ATOM 0 HG SER A 2 6.873 19.924 2.659 1.00 0.00 H new ATOM 31 N LYS A 3 3.940 16.526 1.016 1.00 0.00 N ATOM 32 CA LYS A 3 3.279 15.230 0.938 1.00 0.00 C ATOM 33 C LYS A 3 3.218 14.713 -0.498 1.00 0.00 C ATOM 34 O LYS A 3 2.498 15.254 -1.338 1.00 0.00 O ATOM 35 CB LYS A 3 1.881 15.326 1.547 1.00 0.00 C ATOM 36 CG LYS A 3 1.881 14.998 3.044 1.00 0.00 C ATOM 37 CD LYS A 3 2.829 15.884 3.865 1.00 0.00 C ATOM 38 CE LYS A 3 2.746 15.538 5.355 1.00 0.00 C ATOM 39 NZ LYS A 3 3.675 16.364 6.148 1.00 0.00 N ATOM 0 H LYS A 3 3.312 17.286 1.277 1.00 0.00 H new ATOM 0 HA LYS A 3 3.866 14.511 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.489 16.332 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.211 14.642 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.868 15.107 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.164 13.954 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.852 15.752 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.573 16.933 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.727 15.690 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.980 14.483 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.597 16.107 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.649 16.199 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.435 17.369 6.028 1.00 0.00 H new ATOM 53 N VAL A 4 3.983 13.649 -0.741 1.00 0.00 N ATOM 54 CA VAL A 4 4.200 13.040 -2.042 1.00 0.00 C ATOM 55 C VAL A 4 3.552 11.664 -2.012 1.00 0.00 C ATOM 56 O VAL A 4 4.215 10.648 -1.804 1.00 0.00 O ATOM 57 CB VAL A 4 5.706 13.036 -2.398 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.644 12.520 -1.298 1.00 0.00 C ATOM 59 CG2 VAL A 4 5.972 12.275 -3.705 1.00 0.00 C ATOM 0 H VAL A 4 4.490 13.170 0.003 1.00 0.00 H new ATOM 0 HA VAL A 4 3.734 13.612 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 4 5.947 14.092 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.675 12.560 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.540 13.143 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.384 11.491 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.039 12.292 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.640 11.242 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.426 12.750 -4.520 1.00 0.00 H new ATOM 69 N CYS A 5 2.229 11.640 -2.181 1.00 0.00 N ATOM 70 CA CYS A 5 1.501 10.384 -2.126 1.00 0.00 C ATOM 71 C CYS A 5 1.722 9.612 -3.420 1.00 0.00 C ATOM 72 O CYS A 5 1.852 10.220 -4.479 1.00 0.00 O ATOM 73 CB CYS A 5 0.004 10.558 -1.824 1.00 0.00 C ATOM 74 SG CYS A 5 -0.508 11.978 -0.814 1.00 0.00 S ATOM 0 H CYS A 5 1.653 12.464 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 5 1.899 9.813 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.523 10.619 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.343 9.653 -1.326 1.00 0.00 H new ATOM 79 N ILE A 6 1.794 8.281 -3.323 1.00 0.00 N ATOM 80 CA ILE A 6 2.036 7.416 -4.475 1.00 0.00 C ATOM 81 C ILE A 6 0.831 6.501 -4.699 1.00 0.00 C ATOM 82 O ILE A 6 0.001 6.355 -3.804 1.00 0.00 O ATOM 83 CB ILE A 6 3.372 6.654 -4.315 1.00 0.00 C ATOM 84 CG1 ILE A 6 3.583 5.937 -2.973 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.550 7.620 -4.521 1.00 0.00 C ATOM 86 CD1 ILE A 6 2.490 4.912 -2.691 1.00 0.00 C ATOM 0 H ILE A 6 1.686 7.776 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 6 2.144 8.019 -5.376 1.00 0.00 H new ATOM 0 HB ILE A 6 3.325 5.873 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.553 5.440 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.605 6.673 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.489 7.078 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.498 8.049 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.500 8.418 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.681 4.431 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.522 5.412 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.484 4.160 -3.480 1.00 0.00 H new ATOM 98 N ILE A 7 0.722 5.899 -5.887 1.00 0.00 N ATOM 99 CA ILE A 7 -0.240 4.847 -6.206 1.00 0.00 C ATOM 100 C ILE A 7 0.531 3.639 -6.736 1.00 0.00 C ATOM 101 O ILE A 7 1.195 3.734 -7.766 1.00 0.00 O ATOM 102 CB ILE A 7 -1.329 5.345 -7.179 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.286 4.192 -7.532 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.781 6.005 -8.455 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.652 4.705 -7.997 1.00 0.00 C ATOM 0 H ILE A 7 1.321 6.140 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.781 4.549 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.869 6.133 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.842 3.579 -8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.417 3.549 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.611 6.326 -9.084 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.174 6.869 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.169 5.288 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.296 3.859 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.108 5.296 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.525 5.326 -8.884 1.00 0.00 H new ATOM 117 N ALA A 8 0.466 2.524 -6.000 1.00 0.00 N ATOM 118 CA ALA A 8 1.236 1.317 -6.258 1.00 0.00 C ATOM 119 C ALA A 8 0.315 0.151 -6.609 1.00 0.00 C ATOM 120 O ALA A 8 -0.290 -0.449 -5.722 1.00 0.00 O ATOM 121 CB ALA A 8 2.112 1.015 -5.042 1.00 0.00 C ATOM 0 H ALA A 8 -0.144 2.441 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 8 1.885 1.470 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.693 0.111 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.789 1.851 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.480 0.867 -4.166 1.00 0.00 H new ATOM 127 N TRP A 9 0.228 -0.177 -7.906 1.00 0.00 N ATOM 128 CA TRP A 9 -0.543 -1.313 -8.389 1.00 0.00 C ATOM 129 C TRP A 9 0.284 -2.586 -8.247 1.00 0.00 C ATOM 130 O TRP A 9 1.283 -2.756 -8.944 1.00 0.00 O ATOM 131 CB TRP A 9 -0.940 -1.109 -9.854 1.00 0.00 C ATOM 132 CG TRP A 9 -1.918 -0.005 -10.090 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.242 -0.079 -9.835 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.688 1.332 -10.623 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.844 1.126 -10.117 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.933 2.031 -10.626 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.561 2.019 -11.125 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -3.050 3.352 -11.081 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.674 3.342 -11.593 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.911 4.011 -11.565 1.00 0.00 C ATOM 0 H TRP A 9 0.696 0.346 -8.647 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.452 -1.401 -7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -0.040 -0.908 -10.435 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.364 -2.039 -10.234 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.753 -0.955 -9.464 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.833 1.325 -9.969 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.399 1.524 -11.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.005 3.855 -11.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.199 3.849 -11.978 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.983 5.030 -11.916 1.00 0.00 H new ATOM 151 N VAL A 10 -0.151 -3.477 -7.351 1.00 0.00 N ATOM 152 CA VAL A 10 0.510 -4.747 -7.079 1.00 0.00 C ATOM 153 C VAL A 10 -0.104 -5.812 -7.981 1.00 0.00 C ATOM 154 O VAL A 10 -1.232 -6.235 -7.735 1.00 0.00 O ATOM 155 CB VAL A 10 0.357 -5.121 -5.594 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.055 -6.459 -5.313 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.930 -4.038 -4.670 1.00 0.00 C ATOM 0 H VAL A 10 -0.988 -3.329 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 10 1.577 -4.669 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.710 -5.210 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.941 -6.715 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.606 -7.240 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.115 -6.374 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.802 -4.341 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.991 -3.904 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.405 -3.098 -4.841 1.00 0.00 H new ATOM 167 N TYR A 11 0.629 -6.252 -9.012 1.00 0.00 N ATOM 168 CA TYR A 11 0.131 -7.218 -9.984 1.00 0.00 C ATOM 169 C TYR A 11 -0.170 -8.572 -9.336 1.00 0.00 C ATOM 170 O TYR A 11 -1.133 -9.234 -9.716 1.00 0.00 O ATOM 171 CB TYR A 11 1.130 -7.383 -11.135 1.00 0.00 C ATOM 172 CG TYR A 11 1.388 -6.122 -11.942 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.332 -5.486 -12.620 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.699 -5.636 -12.089 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.587 -4.372 -13.439 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.958 -4.527 -12.912 1.00 0.00 C ATOM 177 CZ TYR A 11 1.904 -3.907 -13.603 1.00 0.00 C ATOM 178 OH TYR A 11 2.165 -2.865 -14.442 1.00 0.00 O ATOM 0 H TYR A 11 1.585 -5.944 -9.191 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.806 -6.830 -10.383 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.077 -7.736 -10.727 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.763 -8.159 -11.807 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.677 -5.855 -12.511 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.512 -6.118 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.228 -3.874 -13.942 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.966 -4.152 -13.013 1.00 0.00 H new ATOM 0 HH TYR A 11 3.126 -2.673 -14.436 1.00 0.00 H new ATOM 188 N GLY A 12 0.669 -8.971 -8.373 1.00 0.00 N ATOM 189 CA GLY A 12 0.622 -10.263 -7.709 1.00 0.00 C ATOM 190 C GLY A 12 -0.701 -10.579 -7.011 1.00 0.00 C ATOM 191 O GLY A 12 -1.530 -9.699 -6.778 1.00 0.00 O ATOM 0 H GLY A 12 1.423 -8.377 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.823 -11.041 -8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.424 -10.306 -6.972 1.00 0.00 H new ATOM 195 N ARG A 13 -0.877 -11.862 -6.665 1.00 0.00 N ATOM 196 CA ARG A 13 -2.106 -12.404 -6.104 1.00 0.00 C ATOM 197 C ARG A 13 -2.230 -12.107 -4.611 1.00 0.00 C ATOM 198 O ARG A 13 -2.100 -12.993 -3.769 1.00 0.00 O ATOM 199 CB ARG A 13 -2.165 -13.909 -6.334 1.00 0.00 C ATOM 200 CG ARG A 13 -2.009 -14.294 -7.808 1.00 0.00 C ATOM 201 CD ARG A 13 -2.463 -15.745 -7.990 1.00 0.00 C ATOM 202 NE ARG A 13 -2.293 -16.199 -9.375 1.00 0.00 N ATOM 203 CZ ARG A 13 -2.662 -17.412 -9.821 1.00 0.00 C ATOM 204 NH1 ARG A 13 -3.248 -18.292 -8.995 1.00 0.00 N ATOM 205 NH2 ARG A 13 -2.442 -17.747 -11.099 1.00 0.00 N ATOM 0 H ARG A 13 -0.145 -12.564 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.940 -11.919 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.379 -14.391 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.116 -14.291 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.604 -13.631 -8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.971 -14.182 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.892 -16.391 -7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.511 -15.837 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.868 -15.554 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.417 -18.043 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.525 -19.210 -9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.996 -17.082 -11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.721 -18.667 -11.440 1.00 0.00 H new ATOM 219 N VAL A 14 -2.499 -10.844 -4.301 1.00 0.00 N ATOM 220 CA VAL A 14 -2.535 -10.315 -2.943 1.00 0.00 C ATOM 221 C VAL A 14 -3.976 -10.190 -2.434 1.00 0.00 C ATOM 222 O VAL A 14 -4.224 -10.375 -1.242 1.00 0.00 O ATOM 223 CB VAL A 14 -1.748 -8.994 -2.905 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.802 -8.361 -1.513 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.275 -9.267 -3.243 1.00 0.00 C ATOM 0 H VAL A 14 -2.704 -10.139 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.051 -11.007 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.197 -8.315 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.237 -7.429 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.839 -8.157 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.368 -9.046 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.284 -8.332 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.143 -9.960 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.205 -9.703 -4.239 1.00 0.00 H new ATOM 235 N GLN A 15 -4.930 -9.888 -3.324 1.00 0.00 N ATOM 236 CA GLN A 15 -6.345 -9.836 -2.980 1.00 0.00 C ATOM 237 C GLN A 15 -6.870 -11.233 -2.636 1.00 0.00 C ATOM 238 O GLN A 15 -6.423 -12.229 -3.201 1.00 0.00 O ATOM 239 CB GLN A 15 -7.155 -9.175 -4.104 1.00 0.00 C ATOM 240 CG GLN A 15 -7.029 -9.856 -5.470 1.00 0.00 C ATOM 241 CD GLN A 15 -7.967 -9.189 -6.471 1.00 0.00 C ATOM 242 OE1 GLN A 15 -8.875 -9.826 -6.997 1.00 0.00 O ATOM 243 NE2 GLN A 15 -7.773 -7.892 -6.712 1.00 0.00 N ATOM 0 H GLN A 15 -4.736 -9.674 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.465 -9.217 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.206 -9.161 -3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.837 -8.137 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.000 -9.792 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.271 -10.915 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.007 -7.397 -6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.391 -7.394 -7.353 1.00 0.00 H new ATOM 252 N GLY A 16 -7.812 -11.295 -1.689 1.00 0.00 N ATOM 253 CA GLY A 16 -8.430 -12.532 -1.236 1.00 0.00 C ATOM 254 C GLY A 16 -7.516 -13.374 -0.340 1.00 0.00 C ATOM 255 O GLY A 16 -7.710 -14.583 -0.252 1.00 0.00 O ATOM 0 H GLY A 16 -8.169 -10.468 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.344 -12.295 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.721 -13.123 -2.104 1.00 0.00 H new ATOM 259 N VAL A 17 -6.540 -12.742 0.329 1.00 0.00 N ATOM 260 CA VAL A 17 -5.620 -13.394 1.260 1.00 0.00 C ATOM 261 C VAL A 17 -5.768 -12.793 2.664 1.00 0.00 C ATOM 262 O VAL A 17 -5.733 -13.526 3.651 1.00 0.00 O ATOM 263 CB VAL A 17 -4.173 -13.290 0.747 1.00 0.00 C ATOM 264 CG1 VAL A 17 -3.228 -14.079 1.667 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.058 -13.845 -0.681 1.00 0.00 C ATOM 0 H VAL A 17 -6.368 -11.741 0.232 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.871 -14.453 1.324 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.893 -12.237 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.207 -13.999 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.279 -13.672 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.527 -15.127 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.026 -13.761 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.359 -14.893 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.708 -13.276 -1.346 1.00 0.00 H new ATOM 275 N GLY A 18 -5.919 -11.465 2.748 1.00 0.00 N ATOM 276 CA GLY A 18 -6.017 -10.711 3.986 1.00 0.00 C ATOM 277 C GLY A 18 -4.696 -10.028 4.349 1.00 0.00 C ATOM 278 O GLY A 18 -4.410 -9.829 5.527 1.00 0.00 O ATOM 0 H GLY A 18 -5.977 -10.872 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.800 -9.958 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.314 -11.379 4.795 1.00 0.00 H new ATOM 282 N PHE A 19 -3.916 -9.640 3.329 1.00 0.00 N ATOM 283 CA PHE A 19 -2.658 -8.897 3.431 1.00 0.00 C ATOM 284 C PHE A 19 -2.763 -7.669 4.337 1.00 0.00 C ATOM 285 O PHE A 19 -1.796 -7.293 4.997 1.00 0.00 O ATOM 286 CB PHE A 19 -2.254 -8.461 2.016 1.00 0.00 C ATOM 287 CG PHE A 19 -0.765 -8.453 1.735 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.116 -9.691 1.569 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.138 -7.275 1.287 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.107 -9.762 0.886 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.096 -7.346 0.614 1.00 0.00 C ATOM 292 CZ PHE A 19 1.709 -8.592 0.400 1.00 0.00 C ATOM 0 H PHE A 19 -4.162 -9.849 2.361 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.910 -9.550 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.738 -9.124 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.645 -7.459 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.562 -10.590 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.604 -6.316 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.586 -10.718 0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.572 -6.443 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.643 -8.649 -0.139 1.00 0.00 H new ATOM 302 N ARG A 20 -3.948 -7.050 4.342 1.00 0.00 N ATOM 303 CA ARG A 20 -4.320 -5.887 5.128 1.00 0.00 C ATOM 304 C ARG A 20 -4.502 -6.232 6.612 1.00 0.00 C ATOM 305 O ARG A 20 -5.568 -6.000 7.178 1.00 0.00 O ATOM 306 CB ARG A 20 -5.600 -5.294 4.519 1.00 0.00 C ATOM 307 CG ARG A 20 -6.780 -6.286 4.479 1.00 0.00 C ATOM 308 CD ARG A 20 -7.450 -6.323 3.102 1.00 0.00 C ATOM 309 NE ARG A 20 -6.556 -6.895 2.079 1.00 0.00 N ATOM 310 CZ ARG A 20 -6.294 -6.385 0.861 1.00 0.00 C ATOM 311 NH1 ARG A 20 -6.837 -5.229 0.453 1.00 0.00 N ATOM 312 NH2 ARG A 20 -5.478 -7.050 0.031 1.00 0.00 N ATOM 0 H ARG A 20 -4.717 -7.375 3.756 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.518 -5.149 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.893 -4.416 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.387 -4.954 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.424 -7.284 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.516 -6.006 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.365 -6.913 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.739 -5.313 2.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.087 -7.768 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.465 -4.714 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.622 -4.864 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.062 -7.934 0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.273 -6.672 -0.894 1.00 0.00 H new ATOM 326 N TYR A 21 -3.451 -6.772 7.241 1.00 0.00 N ATOM 327 CA TYR A 21 -3.457 -7.198 8.632 1.00 0.00 C ATOM 328 C TYR A 21 -2.618 -6.230 9.467 1.00 0.00 C ATOM 329 O TYR A 21 -3.163 -5.474 10.269 1.00 0.00 O ATOM 330 CB TYR A 21 -2.957 -8.648 8.721 1.00 0.00 C ATOM 331 CG TYR A 21 -3.276 -9.325 10.039 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.421 -9.166 11.146 1.00 0.00 C ATOM 333 CD2 TYR A 21 -4.457 -10.081 10.172 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.746 -9.758 12.378 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.776 -10.680 11.402 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.922 -10.518 12.506 1.00 0.00 C ATOM 337 OH TYR A 21 -4.238 -11.099 13.699 1.00 0.00 O ATOM 0 H TYR A 21 -2.555 -6.925 6.779 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.469 -7.177 9.038 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.400 -9.226 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.878 -8.660 8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.514 -8.588 11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.119 -10.200 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.092 -9.629 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.678 -11.265 11.499 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.084 -11.586 13.612 1.00 0.00 H new ATOM 347 N THR A 22 -1.294 -6.251 9.265 1.00 0.00 N ATOM 348 CA THR A 22 -0.334 -5.441 10.010 1.00 0.00 C ATOM 349 C THR A 22 0.039 -4.145 9.275 1.00 0.00 C ATOM 350 O THR A 22 0.879 -3.386 9.756 1.00 0.00 O ATOM 351 CB THR A 22 0.895 -6.294 10.370 1.00 0.00 C ATOM 352 OG1 THR A 22 1.703 -5.619 11.310 1.00 0.00 O ATOM 353 CG2 THR A 22 1.729 -6.657 9.139 1.00 0.00 C ATOM 0 H THR A 22 -0.856 -6.846 8.562 1.00 0.00 H new ATOM 0 HA THR A 22 -0.806 -5.115 10.937 1.00 0.00 H new ATOM 0 HB THR A 22 0.523 -7.222 10.804 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.716 -4.661 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.585 -7.259 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.116 -7.226 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.080 -5.745 8.656 1.00 0.00 H new ATOM 361 N THR A 23 -0.616 -3.854 8.139 1.00 0.00 N ATOM 362 CA THR A 23 -0.481 -2.567 7.471 1.00 0.00 C ATOM 363 C THR A 23 -0.886 -1.412 8.398 1.00 0.00 C ATOM 364 O THR A 23 -0.264 -0.354 8.356 1.00 0.00 O ATOM 365 CB THR A 23 -1.257 -2.571 6.145 1.00 0.00 C ATOM 366 OG1 THR A 23 -0.964 -1.401 5.412 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.773 -2.681 6.339 1.00 0.00 C ATOM 0 H THR A 23 -1.246 -4.503 7.668 1.00 0.00 H new ATOM 0 HA THR A 23 0.569 -2.404 7.228 1.00 0.00 H new ATOM 0 HB THR A 23 -0.935 -3.456 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.791 -0.899 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.265 -2.679 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.007 -3.608 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.127 -1.834 6.927 1.00 0.00 H new ATOM 375 N GLN A 24 -1.897 -1.622 9.252 1.00 0.00 N ATOM 376 CA GLN A 24 -2.400 -0.632 10.190 1.00 0.00 C ATOM 377 C GLN A 24 -1.312 -0.228 11.184 1.00 0.00 C ATOM 378 O GLN A 24 -0.963 0.948 11.271 1.00 0.00 O ATOM 379 CB GLN A 24 -3.617 -1.223 10.910 1.00 0.00 C ATOM 380 CG GLN A 24 -4.767 -1.468 9.924 1.00 0.00 C ATOM 381 CD GLN A 24 -5.517 -0.206 9.529 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.412 0.838 10.168 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.298 -0.315 8.459 1.00 0.00 N ATOM 0 H GLN A 24 -2.395 -2.511 9.304 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.697 0.270 9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.340 -2.160 11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.945 -0.544 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.368 -1.939 9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.470 -2.173 10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.355 -1.201 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.840 0.488 8.139 1.00 0.00 H new ATOM 392 N TYR A 25 -0.785 -1.204 11.934 1.00 0.00 N ATOM 393 CA TYR A 25 0.254 -0.985 12.932 1.00 0.00 C ATOM 394 C TYR A 25 1.432 -0.218 12.336 1.00 0.00 C ATOM 395 O TYR A 25 1.797 0.835 12.851 1.00 0.00 O ATOM 396 CB TYR A 25 0.707 -2.329 13.510 1.00 0.00 C ATOM 397 CG TYR A 25 -0.307 -2.949 14.453 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.386 -2.502 15.786 1.00 0.00 C ATOM 399 CD2 TYR A 25 -1.213 -3.920 13.989 1.00 0.00 C ATOM 400 CE1 TYR A 25 -1.345 -3.046 16.657 1.00 0.00 C ATOM 401 CE2 TYR A 25 -2.170 -4.468 14.862 1.00 0.00 C ATOM 402 CZ TYR A 25 -2.235 -4.031 16.196 1.00 0.00 C ATOM 403 OH TYR A 25 -3.163 -4.558 17.047 1.00 0.00 O ATOM 0 H TYR A 25 -1.076 -2.179 11.859 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.156 -0.377 13.739 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.902 -3.021 12.691 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.649 -2.189 14.041 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.292 -1.739 16.140 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.174 -4.245 12.960 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.398 -2.707 17.681 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.855 -5.224 14.507 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.701 -5.225 16.572 1.00 0.00 H new ATOM 413 N GLU A 26 2.008 -0.737 11.246 1.00 0.00 N ATOM 414 CA GLU A 26 3.120 -0.110 10.549 1.00 0.00 C ATOM 415 C GLU A 26 2.795 1.339 10.189 1.00 0.00 C ATOM 416 O GLU A 26 3.533 2.254 10.552 1.00 0.00 O ATOM 417 CB GLU A 26 3.443 -0.933 9.302 1.00 0.00 C ATOM 418 CG GLU A 26 4.214 -2.201 9.691 1.00 0.00 C ATOM 419 CD GLU A 26 4.563 -3.051 8.476 1.00 0.00 C ATOM 420 OE1 GLU A 26 5.219 -2.501 7.565 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.178 -4.240 8.486 1.00 0.00 O ATOM 0 H GLU A 26 1.706 -1.615 10.824 1.00 0.00 H new ATOM 0 HA GLU A 26 3.993 -0.086 11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.521 -1.203 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.035 -0.337 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.129 -1.923 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.616 -2.790 10.386 1.00 0.00 H new ATOM 428 N ALA A 27 1.672 1.530 9.492 1.00 0.00 N ATOM 429 CA ALA A 27 1.190 2.837 9.071 1.00 0.00 C ATOM 430 C ALA A 27 1.059 3.818 10.235 1.00 0.00 C ATOM 431 O ALA A 27 1.263 5.011 10.039 1.00 0.00 O ATOM 432 CB ALA A 27 -0.157 2.692 8.358 1.00 0.00 C ATOM 0 H ALA A 27 1.065 0.763 9.202 1.00 0.00 H new ATOM 0 HA ALA A 27 1.932 3.247 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.511 3.675 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.038 2.054 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.882 2.244 9.038 1.00 0.00 H new ATOM 438 N LYS A 28 0.720 3.327 11.434 1.00 0.00 N ATOM 439 CA LYS A 28 0.596 4.158 12.625 1.00 0.00 C ATOM 440 C LYS A 28 1.956 4.713 13.072 1.00 0.00 C ATOM 441 O LYS A 28 2.012 5.826 13.591 1.00 0.00 O ATOM 442 CB LYS A 28 -0.102 3.379 13.752 1.00 0.00 C ATOM 443 CG LYS A 28 -0.514 4.304 14.906 1.00 0.00 C ATOM 444 CD LYS A 28 -1.274 3.530 15.989 1.00 0.00 C ATOM 445 CE LYS A 28 -1.654 4.469 17.140 1.00 0.00 C ATOM 446 NZ LYS A 28 -2.357 3.752 18.220 1.00 0.00 N ATOM 0 H LYS A 28 0.525 2.340 11.599 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.026 5.018 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.984 2.876 13.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.566 2.603 14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.373 4.767 15.340 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.140 5.111 14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.172 3.081 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.657 2.714 16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.754 4.937 17.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.289 5.270 16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.598 4.419 18.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.228 3.326 17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.741 3.004 18.598 1.00 0.00 H new ATOM 460 N ARG A 29 3.048 3.962 12.871 1.00 0.00 N ATOM 461 CA ARG A 29 4.390 4.390 13.254 1.00 0.00 C ATOM 462 C ARG A 29 4.838 5.562 12.380 1.00 0.00 C ATOM 463 O ARG A 29 5.326 6.566 12.897 1.00 0.00 O ATOM 464 CB ARG A 29 5.386 3.226 13.136 1.00 0.00 C ATOM 465 CG ARG A 29 4.937 1.989 13.928 1.00 0.00 C ATOM 466 CD ARG A 29 5.671 0.729 13.459 1.00 0.00 C ATOM 467 NE ARG A 29 6.983 0.577 14.105 1.00 0.00 N ATOM 468 CZ ARG A 29 7.205 -0.021 15.288 1.00 0.00 C ATOM 469 NH1 ARG A 29 6.192 -0.523 16.010 1.00 0.00 N ATOM 470 NH2 ARG A 29 8.457 -0.119 15.753 1.00 0.00 N ATOM 0 H ARG A 29 3.020 3.039 12.437 1.00 0.00 H new ATOM 0 HA ARG A 29 4.365 4.715 14.294 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.505 2.958 12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.363 3.549 13.495 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.125 2.147 14.990 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.862 1.851 13.811 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.059 -0.147 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.803 0.769 12.378 1.00 0.00 H new ATOM 0 HE ARG A 29 7.792 0.957 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.235 -0.454 15.663 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.378 -0.974 16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.234 0.259 15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.634 -0.571 16.650 1.00 0.00 H new ATOM 484 N LEU A 30 4.671 5.434 11.058 1.00 0.00 N ATOM 485 CA LEU A 30 5.040 6.471 10.100 1.00 0.00 C ATOM 486 C LEU A 30 4.016 7.613 10.116 1.00 0.00 C ATOM 487 O LEU A 30 4.372 8.763 9.867 1.00 0.00 O ATOM 488 CB LEU A 30 5.152 5.848 8.705 1.00 0.00 C ATOM 489 CG LEU A 30 6.248 4.771 8.608 1.00 0.00 C ATOM 490 CD1 LEU A 30 6.015 3.955 7.337 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.658 5.374 8.579 1.00 0.00 C ATOM 0 H LEU A 30 4.273 4.601 10.625 1.00 0.00 H new ATOM 0 HA LEU A 30 6.005 6.896 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.193 5.407 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.359 6.634 7.979 1.00 0.00 H new ATOM 0 HG LEU A 30 6.186 4.141 9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.783 3.186 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.033 3.483 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.062 4.612 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.395 4.574 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.755 6.032 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.828 5.946 9.491 1.00 0.00 H new ATOM 503 N GLY A 31 2.753 7.290 10.418 1.00 0.00 N ATOM 504 CA GLY A 31 1.655 8.232 10.567 1.00 0.00 C ATOM 505 C GLY A 31 1.046 8.668 9.235 1.00 0.00 C ATOM 506 O GLY A 31 0.427 9.729 9.170 1.00 0.00 O ATOM 0 H GLY A 31 2.464 6.324 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.878 7.779 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.011 9.113 11.101 1.00 0.00 H new ATOM 510 N LEU A 32 1.219 7.863 8.182 1.00 0.00 N ATOM 511 CA LEU A 32 0.714 8.177 6.849 1.00 0.00 C ATOM 512 C LEU A 32 -0.764 7.837 6.677 1.00 0.00 C ATOM 513 O LEU A 32 -1.367 7.144 7.498 1.00 0.00 O ATOM 514 CB LEU A 32 1.583 7.571 5.735 1.00 0.00 C ATOM 515 CG LEU A 32 1.408 6.087 5.365 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.459 5.195 6.593 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.139 5.765 4.568 1.00 0.00 C ATOM 0 H LEU A 32 1.715 6.973 8.234 1.00 0.00 H new ATOM 0 HA LEU A 32 0.788 9.260 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.412 8.156 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.626 7.717 6.017 1.00 0.00 H new ATOM 0 HG LEU A 32 2.253 5.880 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.332 4.155 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.422 5.314 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.660 5.475 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.105 4.697 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.738 6.047 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.147 6.322 3.631 1.00 0.00 H new ATOM 529 N THR A 33 -1.325 8.349 5.580 1.00 0.00 N ATOM 530 CA THR A 33 -2.742 8.321 5.267 1.00 0.00 C ATOM 531 C THR A 33 -2.886 7.742 3.869 1.00 0.00 C ATOM 532 O THR A 33 -2.054 8.014 3.002 1.00 0.00 O ATOM 533 CB THR A 33 -3.323 9.738 5.350 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.642 10.635 4.500 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.240 10.255 6.789 1.00 0.00 C ATOM 0 H THR A 33 -0.774 8.813 4.858 1.00 0.00 H new ATOM 0 HA THR A 33 -3.292 7.705 5.979 1.00 0.00 H new ATOM 0 HB THR A 33 -4.363 9.682 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.041 11.527 4.578 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.655 11.262 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.808 9.596 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.198 10.276 7.109 1.00 0.00 H new ATOM 543 N GLY A 34 -3.900 6.912 3.643 1.00 0.00 N ATOM 544 CA GLY A 34 -3.904 6.092 2.446 1.00 0.00 C ATOM 545 C GLY A 34 -4.964 5.010 2.482 1.00 0.00 C ATOM 546 O GLY A 34 -5.862 5.041 3.317 1.00 0.00 O ATOM 0 H GLY A 34 -4.706 6.793 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.069 6.727 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.924 5.631 2.323 1.00 0.00 H new ATOM 550 N TYR A 35 -4.833 4.035 1.576 1.00 0.00 N ATOM 551 CA TYR A 35 -5.658 2.840 1.605 1.00 0.00 C ATOM 552 C TYR A 35 -5.160 1.765 0.644 1.00 0.00 C ATOM 553 O TYR A 35 -4.492 2.067 -0.343 1.00 0.00 O ATOM 554 CB TYR A 35 -7.127 3.184 1.316 1.00 0.00 C ATOM 555 CG TYR A 35 -7.344 3.829 -0.044 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.352 3.039 -1.210 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.375 5.233 -0.159 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.390 3.644 -2.477 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.439 5.837 -1.426 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.444 5.044 -2.587 1.00 0.00 C ATOM 561 OH TYR A 35 -7.499 5.634 -3.815 1.00 0.00 O ATOM 0 H TYR A 35 -4.157 4.058 0.813 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.584 2.429 2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.724 2.274 1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.493 3.857 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.329 1.962 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.349 5.847 0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.378 3.033 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.484 6.913 -1.508 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.533 6.608 -3.709 1.00 0.00 H new ATOM 571 N ALA A 36 -5.523 0.509 0.941 1.00 0.00 N ATOM 572 CA ALA A 36 -5.163 -0.663 0.158 1.00 0.00 C ATOM 573 C ALA A 36 -6.424 -1.258 -0.465 1.00 0.00 C ATOM 574 O ALA A 36 -7.020 -2.173 0.105 1.00 0.00 O ATOM 575 CB ALA A 36 -4.443 -1.664 1.066 1.00 0.00 C ATOM 0 H ALA A 36 -6.091 0.283 1.757 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.486 -0.396 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.169 -2.547 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.543 -1.203 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.104 -1.955 1.882 1.00 0.00 H new ATOM 581 N LYS A 37 -6.839 -0.729 -1.623 1.00 0.00 N ATOM 582 CA LYS A 37 -8.010 -1.213 -2.341 1.00 0.00 C ATOM 583 C LYS A 37 -7.617 -2.326 -3.307 1.00 0.00 C ATOM 584 O LYS A 37 -6.432 -2.559 -3.522 1.00 0.00 O ATOM 585 CB LYS A 37 -8.738 -0.063 -3.052 1.00 0.00 C ATOM 586 CG LYS A 37 -9.798 0.553 -2.131 1.00 0.00 C ATOM 587 CD LYS A 37 -10.567 1.666 -2.849 1.00 0.00 C ATOM 588 CE LYS A 37 -11.612 2.290 -1.918 1.00 0.00 C ATOM 589 NZ LYS A 37 -12.492 3.219 -2.648 1.00 0.00 N ATOM 0 H LYS A 37 -6.366 0.048 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.712 -1.633 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.020 0.700 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.209 -0.431 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.492 -0.220 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.320 0.954 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.872 2.433 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.057 1.263 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.211 1.503 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.111 2.821 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.189 3.625 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.922 3.983 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.988 2.706 -3.404 1.00 0.00 H new ATOM 603 N ASN A 38 -8.611 -3.035 -3.856 1.00 0.00 N ATOM 604 CA ASN A 38 -8.398 -4.148 -4.778 1.00 0.00 C ATOM 605 C ASN A 38 -9.215 -3.923 -6.045 1.00 0.00 C ATOM 606 O ASN A 38 -10.407 -3.625 -5.961 1.00 0.00 O ATOM 607 CB ASN A 38 -8.792 -5.496 -4.155 1.00 0.00 C ATOM 608 CG ASN A 38 -8.160 -5.819 -2.810 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.273 -5.127 -2.319 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.620 -6.914 -2.212 1.00 0.00 N ATOM 0 H ASN A 38 -9.596 -2.847 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.334 -4.184 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.876 -5.517 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.531 -6.288 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.234 -7.205 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.358 -7.463 -2.652 1.00 0.00 H new ATOM 617 N LEU A 39 -8.577 -4.119 -7.204 1.00 0.00 N ATOM 618 CA LEU A 39 -9.234 -4.152 -8.502 1.00 0.00 C ATOM 619 C LEU A 39 -10.058 -5.431 -8.631 1.00 0.00 C ATOM 620 O LEU A 39 -9.915 -6.364 -7.843 1.00 0.00 O ATOM 621 CB LEU A 39 -8.182 -4.095 -9.623 1.00 0.00 C ATOM 622 CG LEU A 39 -7.514 -2.718 -9.748 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.196 -2.826 -10.519 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.441 -1.723 -10.456 1.00 0.00 C ATOM 0 H LEU A 39 -7.569 -4.261 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.895 -3.289 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.417 -4.848 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.655 -4.351 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.310 -2.355 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.738 -1.840 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.520 -3.499 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.390 -3.216 -11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.946 -0.755 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.675 -2.091 -11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.363 -1.615 -9.885 1.00 0.00 H new ATOM 636 N ASP A 40 -10.901 -5.474 -9.664 1.00 0.00 N ATOM 637 CA ASP A 40 -11.707 -6.638 -10.006 1.00 0.00 C ATOM 638 C ASP A 40 -10.938 -7.612 -10.906 1.00 0.00 C ATOM 639 O ASP A 40 -11.508 -8.605 -11.353 1.00 0.00 O ATOM 640 CB ASP A 40 -13.004 -6.174 -10.683 1.00 0.00 C ATOM 641 CG ASP A 40 -13.810 -5.235 -9.788 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.524 -4.019 -9.834 1.00 0.00 O ATOM 643 OD2 ASP A 40 -14.692 -5.751 -9.067 1.00 0.00 O ATOM 0 H ASP A 40 -11.042 -4.685 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.950 -7.176 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.764 -5.667 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.611 -7.043 -10.938 1.00 0.00 H new ATOM 648 N ASP A 41 -9.654 -7.337 -11.177 1.00 0.00 N ATOM 649 CA ASP A 41 -8.833 -8.121 -12.083 1.00 0.00 C ATOM 650 C ASP A 41 -8.129 -9.220 -11.298 1.00 0.00 C ATOM 651 O ASP A 41 -8.226 -10.402 -11.623 1.00 0.00 O ATOM 652 CB ASP A 41 -7.831 -7.185 -12.776 1.00 0.00 C ATOM 653 CG ASP A 41 -6.773 -7.963 -13.551 1.00 0.00 C ATOM 654 OD1 ASP A 41 -7.131 -8.504 -14.619 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.627 -8.009 -13.054 1.00 0.00 O ATOM 0 H ASP A 41 -9.158 -6.549 -10.761 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.445 -8.597 -12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.364 -6.521 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.346 -6.555 -12.030 1.00 0.00 H new ATOM 660 N GLY A 42 -7.393 -8.792 -10.274 1.00 0.00 N ATOM 661 CA GLY A 42 -6.422 -9.605 -9.574 1.00 0.00 C ATOM 662 C GLY A 42 -5.435 -8.783 -8.743 1.00 0.00 C ATOM 663 O GLY A 42 -4.690 -9.364 -7.956 1.00 0.00 O ATOM 0 H GLY A 42 -7.464 -7.844 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.945 -10.302 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.868 -10.202 -10.298 1.00 0.00 H new ATOM 667 N SER A 43 -5.393 -7.455 -8.935 1.00 0.00 N ATOM 668 CA SER A 43 -4.297 -6.615 -8.459 1.00 0.00 C ATOM 669 C SER A 43 -4.738 -5.653 -7.348 1.00 0.00 C ATOM 670 O SER A 43 -5.877 -5.190 -7.344 1.00 0.00 O ATOM 671 CB SER A 43 -3.711 -5.871 -9.662 1.00 0.00 C ATOM 672 OG SER A 43 -3.273 -6.806 -10.626 1.00 0.00 O ATOM 0 H SER A 43 -6.122 -6.938 -9.426 1.00 0.00 H new ATOM 0 HA SER A 43 -3.531 -7.244 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.462 -5.210 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.879 -5.243 -9.345 1.00 0.00 H new ATOM 0 HG SER A 43 -2.899 -6.330 -11.397 1.00 0.00 H new ATOM 678 N VAL A 44 -3.836 -5.380 -6.390 1.00 0.00 N ATOM 679 CA VAL A 44 -4.109 -4.593 -5.187 1.00 0.00 C ATOM 680 C VAL A 44 -3.486 -3.198 -5.301 1.00 0.00 C ATOM 681 O VAL A 44 -2.278 -3.072 -5.480 1.00 0.00 O ATOM 682 CB VAL A 44 -3.614 -5.363 -3.946 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.755 -4.546 -2.654 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.439 -6.646 -3.791 1.00 0.00 C ATOM 0 H VAL A 44 -2.873 -5.712 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.183 -4.444 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.557 -5.579 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.393 -5.134 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.169 -3.630 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.803 -4.293 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.095 -7.196 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.491 -6.389 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.318 -7.266 -4.679 1.00 0.00 H new ATOM 694 N GLU A 45 -4.314 -2.153 -5.184 1.00 0.00 N ATOM 695 CA GLU A 45 -3.939 -0.755 -5.337 1.00 0.00 C ATOM 696 C GLU A 45 -3.621 -0.143 -3.972 1.00 0.00 C ATOM 697 O GLU A 45 -4.533 0.177 -3.209 1.00 0.00 O ATOM 698 CB GLU A 45 -5.085 0.028 -5.992 1.00 0.00 C ATOM 699 CG GLU A 45 -5.794 -0.752 -7.099 1.00 0.00 C ATOM 700 CD GLU A 45 -6.765 0.156 -7.848 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.317 0.792 -8.826 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.938 0.206 -7.419 1.00 0.00 O ATOM 0 H GLU A 45 -5.304 -2.271 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.054 -0.699 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.812 0.302 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.692 0.956 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.059 -1.161 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.333 -1.597 -6.670 1.00 0.00 H new ATOM 709 N VAL A 46 -2.332 0.027 -3.668 1.00 0.00 N ATOM 710 CA VAL A 46 -1.886 0.562 -2.384 1.00 0.00 C ATOM 711 C VAL A 46 -1.488 2.029 -2.546 1.00 0.00 C ATOM 712 O VAL A 46 -0.649 2.344 -3.385 1.00 0.00 O ATOM 713 CB VAL A 46 -0.731 -0.276 -1.820 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.397 0.176 -0.393 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.099 -1.766 -1.786 1.00 0.00 C ATOM 0 H VAL A 46 -1.570 -0.203 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.706 0.507 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 46 0.131 -0.132 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.424 -0.426 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.104 1.226 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.273 0.050 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.264 -2.338 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.976 -1.910 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.319 -2.110 -2.797 1.00 0.00 H new ATOM 725 N VAL A 47 -2.091 2.918 -1.746 1.00 0.00 N ATOM 726 CA VAL A 47 -1.910 4.367 -1.851 1.00 0.00 C ATOM 727 C VAL A 47 -1.531 4.934 -0.479 1.00 0.00 C ATOM 728 O VAL A 47 -2.137 4.536 0.512 1.00 0.00 O ATOM 729 CB VAL A 47 -3.207 5.040 -2.335 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.969 6.467 -2.839 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.914 4.256 -3.451 1.00 0.00 C ATOM 0 H VAL A 47 -2.727 2.644 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.117 4.568 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.847 5.059 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.914 6.899 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.555 7.073 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.268 6.446 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.821 4.783 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.249 4.166 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.174 3.262 -3.088 1.00 0.00 H new ATOM 741 N ALA A 48 -0.529 5.823 -0.425 1.00 0.00 N ATOM 742 CA ALA A 48 0.087 6.268 0.832 1.00 0.00 C ATOM 743 C ALA A 48 0.732 7.644 0.679 1.00 0.00 C ATOM 744 O ALA A 48 1.590 7.800 -0.186 1.00 0.00 O ATOM 745 CB ALA A 48 1.183 5.261 1.195 1.00 0.00 C ATOM 0 H ALA A 48 -0.122 6.255 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.682 6.332 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.661 5.564 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.742 4.272 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.927 5.230 0.399 1.00 0.00 H new ATOM 751 N CYS A 49 0.361 8.608 1.532 1.00 0.00 N ATOM 752 CA CYS A 49 0.916 9.961 1.574 1.00 0.00 C ATOM 753 C CYS A 49 2.136 10.051 2.487 1.00 0.00 C ATOM 754 O CYS A 49 2.576 9.057 3.056 1.00 0.00 O ATOM 755 CB CYS A 49 -0.190 10.934 2.000 1.00 0.00 C ATOM 756 SG CYS A 49 -1.499 11.160 0.772 1.00 0.00 S ATOM 0 H CYS A 49 -0.361 8.458 2.237 1.00 0.00 H new ATOM 0 HA CYS A 49 1.270 10.233 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.636 10.574 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.259 11.903 2.217 1.00 0.00 H new ATOM 761 N GLY A 50 2.694 11.260 2.600 1.00 0.00 N ATOM 762 CA GLY A 50 3.863 11.553 3.414 1.00 0.00 C ATOM 763 C GLY A 50 5.096 11.665 2.529 1.00 0.00 C ATOM 764 O GLY A 50 4.981 11.765 1.308 1.00 0.00 O ATOM 0 H GLY A 50 2.331 12.079 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.712 12.483 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.007 10.767 4.155 1.00 0.00 H new ATOM 768 N GLU A 51 6.276 11.641 3.153 1.00 0.00 N ATOM 769 CA GLU A 51 7.538 11.628 2.435 1.00 0.00 C ATOM 770 C GLU A 51 7.749 10.238 1.837 1.00 0.00 C ATOM 771 O GLU A 51 7.497 9.231 2.497 1.00 0.00 O ATOM 772 CB GLU A 51 8.686 12.031 3.370 1.00 0.00 C ATOM 773 CG GLU A 51 8.461 13.406 4.022 1.00 0.00 C ATOM 774 CD GLU A 51 8.128 14.498 3.008 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.979 14.736 2.124 1.00 0.00 O ATOM 776 OE2 GLU A 51 7.023 15.073 3.136 1.00 0.00 O ATOM 0 H GLU A 51 6.376 11.630 4.168 1.00 0.00 H new ATOM 0 HA GLU A 51 7.518 12.355 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.797 11.277 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.619 12.048 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.650 13.330 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.356 13.691 4.574 1.00 0.00 H new ATOM 783 N GLU A 52 8.189 10.186 0.576 1.00 0.00 N ATOM 784 CA GLU A 52 8.331 8.943 -0.171 1.00 0.00 C ATOM 785 C GLU A 52 9.251 7.972 0.571 1.00 0.00 C ATOM 786 O GLU A 52 8.920 6.801 0.732 1.00 0.00 O ATOM 787 CB GLU A 52 8.850 9.232 -1.588 1.00 0.00 C ATOM 788 CG GLU A 52 7.913 8.601 -2.625 1.00 0.00 C ATOM 789 CD GLU A 52 8.392 8.856 -4.049 1.00 0.00 C ATOM 790 OE1 GLU A 52 8.216 10.004 -4.512 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.926 7.900 -4.651 1.00 0.00 O ATOM 0 H GLU A 52 8.457 11.015 0.045 1.00 0.00 H new ATOM 0 HA GLU A 52 7.353 8.471 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.913 10.308 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.857 8.832 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.848 7.527 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.909 9.006 -2.501 1.00 0.00 H new ATOM 798 N GLY A 53 10.389 8.487 1.047 1.00 0.00 N ATOM 799 CA GLY A 53 11.351 7.787 1.875 1.00 0.00 C ATOM 800 C GLY A 53 10.692 7.037 3.034 1.00 0.00 C ATOM 801 O GLY A 53 10.945 5.848 3.223 1.00 0.00 O ATOM 0 H GLY A 53 10.669 9.448 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.909 7.081 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.072 8.502 2.272 1.00 0.00 H new ATOM 805 N GLN A 54 9.841 7.731 3.801 1.00 0.00 N ATOM 806 CA GLN A 54 9.096 7.152 4.914 1.00 0.00 C ATOM 807 C GLN A 54 8.151 6.051 4.436 1.00 0.00 C ATOM 808 O GLN A 54 8.149 4.955 4.992 1.00 0.00 O ATOM 809 CB GLN A 54 8.276 8.229 5.633 1.00 0.00 C ATOM 810 CG GLN A 54 9.096 9.006 6.667 1.00 0.00 C ATOM 811 CD GLN A 54 8.180 9.886 7.515 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.060 11.083 7.266 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.523 9.287 8.512 1.00 0.00 N ATOM 0 H GLN A 54 9.652 8.723 3.660 1.00 0.00 H new ATOM 0 HA GLN A 54 9.825 6.723 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.874 8.925 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.425 7.761 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.639 8.311 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.840 9.623 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.654 8.290 8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.891 9.827 9.103 1.00 0.00 H new ATOM 822 N VAL A 55 7.345 6.357 3.415 1.00 0.00 N ATOM 823 CA VAL A 55 6.409 5.417 2.810 1.00 0.00 C ATOM 824 C VAL A 55 7.127 4.147 2.342 1.00 0.00 C ATOM 825 O VAL A 55 6.591 3.053 2.511 1.00 0.00 O ATOM 826 CB VAL A 55 5.624 6.107 1.680 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.779 5.119 0.867 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.695 7.180 2.253 1.00 0.00 C ATOM 0 H VAL A 55 7.328 7.280 2.982 1.00 0.00 H new ATOM 0 HA VAL A 55 5.686 5.099 3.562 1.00 0.00 H new ATOM 0 HB VAL A 55 6.365 6.555 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.245 5.656 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.429 4.370 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.061 4.628 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.147 7.658 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.990 6.719 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.286 7.928 2.782 1.00 0.00 H new ATOM 838 N GLU A 56 8.347 4.265 1.805 1.00 0.00 N ATOM 839 CA GLU A 56 9.124 3.115 1.370 1.00 0.00 C ATOM 840 C GLU A 56 9.387 2.132 2.520 1.00 0.00 C ATOM 841 O GLU A 56 9.403 0.927 2.282 1.00 0.00 O ATOM 842 CB GLU A 56 10.403 3.563 0.656 1.00 0.00 C ATOM 843 CG GLU A 56 11.078 2.381 -0.052 1.00 0.00 C ATOM 844 CD GLU A 56 12.285 2.832 -0.866 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.056 3.333 -1.989 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.414 2.662 -0.355 1.00 0.00 O ATOM 0 H GLU A 56 8.816 5.160 1.663 1.00 0.00 H new ATOM 0 HA GLU A 56 8.533 2.560 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.165 4.340 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.092 4.002 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.391 1.644 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.359 1.890 -0.707 1.00 0.00 H new ATOM 853 N LYS A 57 9.550 2.618 3.759 1.00 0.00 N ATOM 854 CA LYS A 57 9.845 1.769 4.909 1.00 0.00 C ATOM 855 C LYS A 57 8.775 0.695 5.134 1.00 0.00 C ATOM 856 O LYS A 57 9.130 -0.452 5.400 1.00 0.00 O ATOM 857 CB LYS A 57 10.064 2.603 6.181 1.00 0.00 C ATOM 858 CG LYS A 57 11.148 3.685 6.055 1.00 0.00 C ATOM 859 CD LYS A 57 12.546 3.101 5.808 1.00 0.00 C ATOM 860 CE LYS A 57 13.606 4.195 5.629 1.00 0.00 C ATOM 861 NZ LYS A 57 13.779 5.018 6.839 1.00 0.00 N ATOM 0 H LYS A 57 9.480 3.610 3.986 1.00 0.00 H new ATOM 0 HA LYS A 57 10.775 1.249 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.123 3.080 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.331 1.933 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.890 4.357 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.165 4.283 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.824 2.461 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.523 2.470 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.559 3.734 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.323 4.837 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.585 5.662 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.916 5.573 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.959 4.400 7.656 1.00 0.00 H new ATOM 875 N LEU A 58 7.482 1.032 5.014 1.00 0.00 N ATOM 876 CA LEU A 58 6.418 0.031 5.121 1.00 0.00 C ATOM 877 C LEU A 58 6.278 -0.773 3.826 1.00 0.00 C ATOM 878 O LEU A 58 5.850 -1.925 3.863 1.00 0.00 O ATOM 879 CB LEU A 58 5.087 0.657 5.570 1.00 0.00 C ATOM 880 CG LEU A 58 4.266 1.320 4.449 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.171 0.378 3.929 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.607 2.607 4.950 1.00 0.00 C ATOM 0 H LEU A 58 7.153 1.982 4.844 1.00 0.00 H new ATOM 0 HA LEU A 58 6.705 -0.673 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.478 -0.118 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.295 1.403 6.337 1.00 0.00 H new ATOM 0 HG LEU A 58 4.957 1.550 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.609 0.875 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.629 -0.529 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.497 0.118 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.032 3.060 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.943 2.375 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.376 3.304 5.282 1.00 0.00 H new ATOM 894 N MET A 59 6.626 -0.181 2.675 1.00 0.00 N ATOM 895 CA MET A 59 6.512 -0.862 1.397 1.00 0.00 C ATOM 896 C MET A 59 7.494 -2.023 1.307 1.00 0.00 C ATOM 897 O MET A 59 7.143 -3.041 0.717 1.00 0.00 O ATOM 898 CB MET A 59 6.681 0.097 0.223 1.00 0.00 C ATOM 899 CG MET A 59 5.646 1.230 0.241 1.00 0.00 C ATOM 900 SD MET A 59 4.286 1.081 -0.948 1.00 0.00 S ATOM 901 CE MET A 59 5.183 1.445 -2.478 1.00 0.00 C ATOM 0 H MET A 59 6.989 0.770 2.613 1.00 0.00 H new ATOM 0 HA MET A 59 5.502 -1.268 1.335 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.684 0.524 0.247 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.593 -0.457 -0.711 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.221 1.292 1.243 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.163 2.171 0.055 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.489 1.433 -3.318 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.645 2.429 -2.403 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.956 0.692 -2.635 1.00 0.00 H new ATOM 911 N GLN A 60 8.685 -1.896 1.911 1.00 0.00 N ATOM 912 CA GLN A 60 9.610 -3.009 2.097 1.00 0.00 C ATOM 913 C GLN A 60 8.821 -4.243 2.530 1.00 0.00 C ATOM 914 O GLN A 60 8.928 -5.297 1.890 1.00 0.00 O ATOM 915 CB GLN A 60 10.678 -2.638 3.142 1.00 0.00 C ATOM 916 CG GLN A 60 11.690 -1.616 2.595 1.00 0.00 C ATOM 917 CD GLN A 60 12.653 -1.094 3.664 1.00 0.00 C ATOM 918 OE1 GLN A 60 12.431 -1.267 4.859 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.737 -0.445 3.232 1.00 0.00 N ATOM 0 H GLN A 60 9.029 -1.011 2.284 1.00 0.00 H new ATOM 0 HA GLN A 60 10.123 -3.229 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.192 -2.228 4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.206 -3.538 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.264 -2.077 1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.149 -0.776 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.891 -0.319 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.411 -0.075 3.902 1.00 0.00 H new ATOM 928 N TRP A 61 8.018 -4.130 3.584 1.00 0.00 N ATOM 929 CA TRP A 61 7.252 -5.241 4.099 1.00 0.00 C ATOM 930 C TRP A 61 6.182 -5.724 3.102 1.00 0.00 C ATOM 931 O TRP A 61 5.976 -6.926 2.999 1.00 0.00 O ATOM 932 CB TRP A 61 6.649 -4.888 5.458 1.00 0.00 C ATOM 933 CG TRP A 61 5.481 -5.734 5.836 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.505 -7.003 6.299 1.00 0.00 C ATOM 935 CD2 TRP A 61 4.084 -5.402 5.656 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.214 -7.488 6.393 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.296 -6.541 5.982 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.415 -4.248 5.210 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.899 -6.542 5.849 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.009 -4.217 5.128 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.256 -5.369 5.425 1.00 0.00 C ATOM 0 H TRP A 61 7.886 -3.260 4.100 1.00 0.00 H new ATOM 0 HA TRP A 61 7.935 -6.079 4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.419 -4.985 6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.340 -3.843 5.448 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.397 -7.555 6.556 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.971 -8.422 6.722 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.986 -3.376 4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.328 -7.432 6.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.507 -3.306 4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.181 -5.350 5.326 1.00 0.00 H new ATOM 952 N LEU A 62 5.479 -4.823 2.383 1.00 0.00 N ATOM 953 CA LEU A 62 4.470 -5.236 1.400 1.00 0.00 C ATOM 954 C LEU A 62 5.118 -6.121 0.337 1.00 0.00 C ATOM 955 O LEU A 62 4.638 -7.215 0.050 1.00 0.00 O ATOM 956 CB LEU A 62 3.796 -4.027 0.733 1.00 0.00 C ATOM 957 CG LEU A 62 2.789 -3.327 1.657 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.471 -1.932 1.111 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.468 -4.094 1.783 1.00 0.00 C ATOM 0 H LEU A 62 5.595 -3.813 2.468 1.00 0.00 H new ATOM 0 HA LEU A 62 3.698 -5.796 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.560 -3.313 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.286 -4.354 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 62 3.254 -3.276 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.756 -1.438 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.387 -1.343 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.043 -2.021 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.795 -3.553 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.007 -4.189 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.661 -5.086 2.191 1.00 0.00 H new ATOM 971 N LYS A 63 6.247 -5.658 -0.209 1.00 0.00 N ATOM 972 CA LYS A 63 7.038 -6.356 -1.214 1.00 0.00 C ATOM 973 C LYS A 63 7.800 -7.562 -0.639 1.00 0.00 C ATOM 974 O LYS A 63 8.600 -8.171 -1.348 1.00 0.00 O ATOM 975 CB LYS A 63 7.980 -5.333 -1.859 1.00 0.00 C ATOM 976 CG LYS A 63 7.193 -4.317 -2.705 1.00 0.00 C ATOM 977 CD LYS A 63 7.772 -2.900 -2.630 1.00 0.00 C ATOM 978 CE LYS A 63 9.243 -2.817 -3.049 1.00 0.00 C ATOM 979 NZ LYS A 63 9.763 -1.448 -2.875 1.00 0.00 N ATOM 0 H LYS A 63 6.645 -4.755 0.049 1.00 0.00 H new ATOM 0 HA LYS A 63 6.374 -6.780 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.540 -4.810 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.708 -5.848 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.185 -4.646 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.156 -4.298 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.183 -2.241 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.672 -2.529 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.834 -3.513 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.346 -3.120 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.761 -1.416 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.211 -0.790 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.684 -1.171 -1.876 1.00 0.00 H new ATOM 993 N SER A 64 7.537 -7.938 0.621 1.00 0.00 N ATOM 994 CA SER A 64 8.051 -9.139 1.262 1.00 0.00 C ATOM 995 C SER A 64 7.003 -9.667 2.251 1.00 0.00 C ATOM 996 O SER A 64 7.352 -10.253 3.274 1.00 0.00 O ATOM 997 CB SER A 64 9.376 -8.808 1.962 1.00 0.00 C ATOM 998 OG SER A 64 10.310 -8.285 1.038 1.00 0.00 O ATOM 0 H SER A 64 6.938 -7.388 1.237 1.00 0.00 H new ATOM 0 HA SER A 64 8.244 -9.918 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.202 -8.086 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.781 -9.706 2.428 1.00 0.00 H new ATOM 0 HG SER A 64 11.148 -8.078 1.502 1.00 0.00 H new ATOM 1004 N GLY A 65 5.716 -9.428 1.957 1.00 0.00 N ATOM 1005 CA GLY A 65 4.621 -9.643 2.885 1.00 0.00 C ATOM 1006 C GLY A 65 4.124 -11.076 2.803 1.00 0.00 C ATOM 1007 O GLY A 65 3.912 -11.721 3.826 1.00 0.00 O ATOM 0 H GLY A 65 5.413 -9.074 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.950 -9.424 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.805 -8.956 2.659 1.00 0.00 H new ATOM 1011 N GLY A 66 3.922 -11.552 1.570 1.00 0.00 N ATOM 1012 CA GLY A 66 3.314 -12.840 1.293 1.00 0.00 C ATOM 1013 C GLY A 66 4.209 -13.984 1.769 1.00 0.00 C ATOM 1014 O GLY A 66 5.314 -14.129 1.249 1.00 0.00 O ATOM 0 H GLY A 66 4.184 -11.038 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.345 -12.902 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.132 -12.937 0.223 1.00 0.00 H new ATOM 1018 N PRO A 67 3.770 -14.797 2.747 1.00 0.00 N ATOM 1019 CA PRO A 67 4.589 -15.858 3.306 1.00 0.00 C ATOM 1020 C PRO A 67 4.721 -17.024 2.323 1.00 0.00 C ATOM 1021 O PRO A 67 5.829 -17.509 2.104 1.00 0.00 O ATOM 1022 CB PRO A 67 3.900 -16.261 4.613 1.00 0.00 C ATOM 1023 CG PRO A 67 2.428 -15.936 4.365 1.00 0.00 C ATOM 1024 CD PRO A 67 2.484 -14.728 3.428 1.00 0.00 C ATOM 0 HA PRO A 67 5.612 -15.534 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.045 -17.319 4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.295 -15.703 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.903 -16.775 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.907 -15.701 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.663 -14.753 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.390 -13.797 3.988 1.00 0.00 H new ATOM 1032 N ARG A 68 3.599 -17.477 1.745 1.00 0.00 N ATOM 1033 CA ARG A 68 3.552 -18.596 0.810 1.00 0.00 C ATOM 1034 C ARG A 68 2.473 -18.337 -0.246 1.00 0.00 C ATOM 1035 O ARG A 68 2.777 -18.267 -1.435 1.00 0.00 O ATOM 1036 CB ARG A 68 3.286 -19.922 1.548 1.00 0.00 C ATOM 1037 CG ARG A 68 4.228 -20.159 2.735 1.00 0.00 C ATOM 1038 CD ARG A 68 4.003 -21.545 3.352 1.00 0.00 C ATOM 1039 NE ARG A 68 4.432 -21.594 4.757 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.698 -21.520 5.207 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.731 -21.429 4.357 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.926 -21.536 6.526 1.00 0.00 N ATOM 0 H ARG A 68 2.684 -17.063 1.922 1.00 0.00 H new ATOM 0 HA ARG A 68 4.520 -18.682 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.256 -19.931 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.387 -20.748 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.263 -20.068 2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.066 -19.391 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.947 -21.805 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.552 -22.292 2.778 1.00 0.00 H new ATOM 0 HE ARG A 68 3.699 -21.694 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.564 -21.415 3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.684 -21.374 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.144 -21.604 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.881 -21.481 6.879 1.00 0.00 H new ATOM 1056 N SER A 69 1.213 -18.214 0.199 1.00 0.00 N ATOM 1057 CA SER A 69 0.039 -18.085 -0.655 1.00 0.00 C ATOM 1058 C SER A 69 0.135 -16.860 -1.562 1.00 0.00 C ATOM 1059 O SER A 69 0.210 -16.996 -2.782 1.00 0.00 O ATOM 1060 CB SER A 69 -1.223 -18.066 0.209 1.00 0.00 C ATOM 1061 OG SER A 69 -2.387 -17.924 -0.579 1.00 0.00 O ATOM 0 H SER A 69 0.984 -18.202 1.193 1.00 0.00 H new ATOM 0 HA SER A 69 -0.012 -18.949 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.284 -18.988 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.164 -17.245 0.924 1.00 0.00 H new ATOM 0 HG SER A 69 -3.176 -17.917 0.002 1.00 0.00 H new ATOM 1067 N ALA A 70 0.119 -15.671 -0.954 1.00 0.00 N ATOM 1068 CA ALA A 70 0.218 -14.410 -1.674 1.00 0.00 C ATOM 1069 C ALA A 70 1.533 -14.356 -2.449 1.00 0.00 C ATOM 1070 O ALA A 70 2.606 -14.437 -1.856 1.00 0.00 O ATOM 1071 CB ALA A 70 0.098 -13.227 -0.713 1.00 0.00 C ATOM 0 H ALA A 70 0.036 -15.561 0.057 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.606 -14.344 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.175 -12.295 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.866 -13.267 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.899 -13.275 0.025 1.00 0.00 H new ATOM 1077 N ARG A 71 1.427 -14.245 -3.778 1.00 0.00 N ATOM 1078 CA ARG A 71 2.548 -14.311 -4.701 1.00 0.00 C ATOM 1079 C ARG A 71 2.741 -12.924 -5.316 1.00 0.00 C ATOM 1080 O ARG A 71 2.095 -12.591 -6.308 1.00 0.00 O ATOM 1081 CB ARG A 71 2.263 -15.395 -5.754 1.00 0.00 C ATOM 1082 CG ARG A 71 3.492 -15.733 -6.608 1.00 0.00 C ATOM 1083 CD ARG A 71 4.444 -16.695 -5.885 1.00 0.00 C ATOM 1084 NE ARG A 71 5.615 -17.003 -6.718 1.00 0.00 N ATOM 1085 CZ ARG A 71 6.581 -17.875 -6.386 1.00 0.00 C ATOM 1086 NH1 ARG A 71 6.548 -18.523 -5.212 1.00 0.00 N ATOM 1087 NH2 ARG A 71 7.589 -18.105 -7.239 1.00 0.00 N ATOM 0 H ARG A 71 0.532 -14.103 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 71 3.474 -14.587 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.915 -16.298 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.455 -15.059 -6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.169 -16.180 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.024 -14.815 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.769 -16.251 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.917 -17.616 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 71 5.700 -16.520 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.783 -18.356 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.288 -19.183 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.620 -17.619 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.325 -18.766 -6.992 1.00 0.00 H new ATOM 1101 N VAL A 72 3.614 -12.115 -4.703 1.00 0.00 N ATOM 1102 CA VAL A 72 3.903 -10.749 -5.121 1.00 0.00 C ATOM 1103 C VAL A 72 4.818 -10.787 -6.348 1.00 0.00 C ATOM 1104 O VAL A 72 6.037 -10.869 -6.214 1.00 0.00 O ATOM 1105 CB VAL A 72 4.516 -9.955 -3.952 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.736 -8.490 -4.356 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.606 -9.977 -2.715 1.00 0.00 C ATOM 0 H VAL A 72 4.148 -12.405 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 72 2.984 -10.234 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 72 5.466 -10.431 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.170 -7.943 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.414 -8.446 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.781 -8.040 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.071 -9.407 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.642 -9.533 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.458 -11.007 -2.391 1.00 0.00 H new ATOM 1117 N GLU A 73 4.218 -10.725 -7.542 1.00 0.00 N ATOM 1118 CA GLU A 73 4.925 -10.745 -8.812 1.00 0.00 C ATOM 1119 C GLU A 73 5.755 -9.472 -8.983 1.00 0.00 C ATOM 1120 O GLU A 73 6.980 -9.547 -9.056 1.00 0.00 O ATOM 1121 CB GLU A 73 3.909 -10.893 -9.955 1.00 0.00 C ATOM 1122 CG GLU A 73 3.297 -12.299 -10.017 1.00 0.00 C ATOM 1123 CD GLU A 73 4.324 -13.367 -10.391 1.00 0.00 C ATOM 1124 OE1 GLU A 73 4.941 -13.206 -11.466 1.00 0.00 O ATOM 1125 OE2 GLU A 73 4.474 -14.321 -9.597 1.00 0.00 O ATOM 0 H GLU A 73 3.206 -10.658 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 73 5.609 -11.593 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.113 -10.159 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.398 -10.671 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.858 -12.544 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.487 -12.307 -10.746 1.00 0.00 H new ATOM 1132 N ARG A 74 5.087 -8.314 -9.066 1.00 0.00 N ATOM 1133 CA ARG A 74 5.701 -7.024 -9.368 1.00 0.00 C ATOM 1134 C ARG A 74 4.734 -5.904 -8.979 1.00 0.00 C ATOM 1135 O ARG A 74 3.524 -6.119 -8.915 1.00 0.00 O ATOM 1136 CB ARG A 74 6.038 -6.930 -10.870 1.00 0.00 C ATOM 1137 CG ARG A 74 7.476 -7.339 -11.238 1.00 0.00 C ATOM 1138 CD ARG A 74 7.521 -8.457 -12.291 1.00 0.00 C ATOM 1139 NE ARG A 74 6.741 -8.131 -13.495 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.082 -7.249 -14.449 1.00 0.00 C ATOM 1141 NH1 ARG A 74 8.254 -6.599 -14.405 1.00 0.00 N ATOM 1142 NH2 ARG A 74 6.235 -7.016 -15.461 1.00 0.00 N ATOM 0 H ARG A 74 4.079 -8.252 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 74 6.626 -6.924 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.343 -7.561 -11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.871 -5.905 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.012 -6.468 -11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.997 -7.670 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.557 -8.644 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.139 -9.379 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 74 5.856 -8.622 -13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.904 -6.771 -13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.496 -5.933 -15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.342 -7.506 -15.501 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.484 -6.348 -16.191 1.00 0.00 H new ATOM 1156 N VAL A 75 5.290 -4.712 -8.715 1.00 0.00 N ATOM 1157 CA VAL A 75 4.564 -3.534 -8.258 1.00 0.00 C ATOM 1158 C VAL A 75 4.938 -2.337 -9.138 1.00 0.00 C ATOM 1159 O VAL A 75 6.120 -2.002 -9.216 1.00 0.00 O ATOM 1160 CB VAL A 75 4.923 -3.260 -6.784 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.086 -2.097 -6.235 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.693 -4.505 -5.917 1.00 0.00 C ATOM 0 H VAL A 75 6.291 -4.544 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 75 3.489 -3.700 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 75 5.980 -2.997 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.352 -1.917 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.283 -1.199 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.027 -2.348 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.955 -4.282 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.644 -4.797 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.316 -5.322 -6.281 1.00 0.00 H new ATOM 1172 N LEU A 76 3.954 -1.683 -9.775 1.00 0.00 N ATOM 1173 CA LEU A 76 4.175 -0.454 -10.537 1.00 0.00 C ATOM 1174 C LEU A 76 3.766 0.746 -9.679 1.00 0.00 C ATOM 1175 O LEU A 76 2.572 0.954 -9.459 1.00 0.00 O ATOM 1176 CB LEU A 76 3.387 -0.480 -11.863 1.00 0.00 C ATOM 1177 CG LEU A 76 4.127 0.276 -12.983 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.273 -0.558 -13.575 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.149 0.652 -14.102 1.00 0.00 C ATOM 0 H LEU A 76 2.983 -1.996 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 76 5.232 -0.371 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.224 -1.513 -12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.404 -0.033 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 76 4.552 1.176 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.769 0.011 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.992 -0.797 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.873 -1.481 -13.993 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.683 1.186 -14.888 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.704 -0.253 -14.516 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.363 1.291 -13.699 1.00 0.00 H new ATOM 1191 N SER A 77 4.745 1.512 -9.175 1.00 0.00 N ATOM 1192 CA SER A 77 4.491 2.710 -8.383 1.00 0.00 C ATOM 1193 C SER A 77 4.633 3.976 -9.226 1.00 0.00 C ATOM 1194 O SER A 77 5.641 4.180 -9.900 1.00 0.00 O ATOM 1195 CB SER A 77 5.426 2.800 -7.183 1.00 0.00 C ATOM 1196 OG SER A 77 5.413 1.600 -6.438 1.00 0.00 O ATOM 0 H SER A 77 5.736 1.312 -9.309 1.00 0.00 H new ATOM 0 HA SER A 77 3.465 2.633 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.440 3.010 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.125 3.631 -6.545 1.00 0.00 H new ATOM 0 HG SER A 77 6.022 1.682 -5.675 1.00 0.00 H new ATOM 1202 N GLU A 78 3.611 4.824 -9.129 1.00 0.00 N ATOM 1203 CA GLU A 78 3.427 6.083 -9.846 1.00 0.00 C ATOM 1204 C GLU A 78 3.063 7.174 -8.828 1.00 0.00 C ATOM 1205 O GLU A 78 2.689 6.850 -7.704 1.00 0.00 O ATOM 1206 CB GLU A 78 2.296 5.900 -10.875 1.00 0.00 C ATOM 1207 CG GLU A 78 2.778 5.365 -12.233 1.00 0.00 C ATOM 1208 CD GLU A 78 3.370 3.960 -12.162 1.00 0.00 C ATOM 1209 OE1 GLU A 78 2.686 3.075 -11.604 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.495 3.792 -12.679 1.00 0.00 O ATOM 0 H GLU A 78 2.831 4.634 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 78 4.338 6.374 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.553 5.215 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.797 6.857 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.941 5.362 -12.931 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.527 6.046 -12.637 1.00 0.00 H new ATOM 1217 N PRO A 79 3.149 8.466 -9.187 1.00 0.00 N ATOM 1218 CA PRO A 79 2.778 9.565 -8.302 1.00 0.00 C ATOM 1219 C PRO A 79 1.254 9.722 -8.225 1.00 0.00 C ATOM 1220 O PRO A 79 0.589 9.810 -9.256 1.00 0.00 O ATOM 1221 CB PRO A 79 3.435 10.804 -8.915 1.00 0.00 C ATOM 1222 CG PRO A 79 3.472 10.482 -10.409 1.00 0.00 C ATOM 1223 CD PRO A 79 3.714 8.972 -10.429 1.00 0.00 C ATOM 0 HA PRO A 79 3.110 9.395 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.858 11.706 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.435 10.968 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.537 10.748 -10.902 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.267 11.025 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.236 8.510 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.778 8.747 -10.495 1.00 0.00 H new ATOM 1231 N HIS A 80 0.706 9.781 -7.003 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.706 10.038 -6.736 1.00 0.00 C ATOM 1233 C HIS A 80 -0.875 11.421 -6.099 1.00 0.00 C ATOM 1234 O HIS A 80 -0.553 11.591 -4.928 1.00 0.00 O ATOM 1235 CB HIS A 80 -1.219 8.945 -5.792 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.708 8.968 -5.569 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -3.618 8.596 -6.546 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -3.415 9.305 -4.442 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.837 8.731 -5.997 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.758 9.163 -4.728 1.00 0.00 N ATOM 0 H HIS A 80 1.253 9.647 -6.153 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.277 10.023 -7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.939 7.972 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.718 9.048 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.995 9.624 -3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.763 8.519 -6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.538 9.350 -4.098 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.389 12.410 -6.840 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.639 13.749 -6.310 1.00 0.00 C ATOM 1251 C HIS A 81 -3.144 13.997 -6.105 1.00 0.00 C ATOM 1252 O HIS A 81 -3.787 14.544 -7.000 1.00 0.00 O ATOM 1253 CB HIS A 81 -1.030 14.794 -7.254 1.00 0.00 C ATOM 1254 CG HIS A 81 -1.149 16.195 -6.707 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.529 16.596 -5.534 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -1.881 17.252 -7.178 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.904 17.868 -5.325 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -1.721 18.304 -6.297 1.00 0.00 N ATOM 0 H HIS A 81 -1.642 12.301 -7.822 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.165 13.834 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.021 14.560 -7.423 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.528 14.740 -8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.477 17.262 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.588 18.465 -4.482 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.141 19.230 -6.371 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.727 13.632 -4.949 1.00 0.00 N ATOM 1268 CA PRO A 82 -5.130 13.885 -4.651 1.00 0.00 C ATOM 1269 C PRO A 82 -5.342 15.342 -4.220 1.00 0.00 C ATOM 1270 O PRO A 82 -4.383 16.055 -3.922 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.470 12.922 -3.511 1.00 0.00 C ATOM 1272 CG PRO A 82 -4.154 12.855 -2.738 1.00 0.00 C ATOM 1273 CD PRO A 82 -3.117 12.886 -3.860 1.00 0.00 C ATOM 0 HA PRO A 82 -5.769 13.730 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.286 13.296 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.774 11.943 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.040 13.697 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.079 11.947 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.196 13.365 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.855 11.877 -4.177 1.00 0.00 H new ATOM 1281 N SER A 83 -6.609 15.768 -4.174 1.00 0.00 N ATOM 1282 CA SER A 83 -7.010 17.076 -3.681 1.00 0.00 C ATOM 1283 C SER A 83 -7.231 17.006 -2.170 1.00 0.00 C ATOM 1284 O SER A 83 -7.946 16.128 -1.687 1.00 0.00 O ATOM 1285 CB SER A 83 -8.287 17.535 -4.388 1.00 0.00 C ATOM 1286 OG SER A 83 -8.085 17.576 -5.786 1.00 0.00 O ATOM 0 H SER A 83 -7.394 15.197 -4.486 1.00 0.00 H new ATOM 0 HA SER A 83 -6.222 17.799 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.106 16.856 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.577 18.522 -4.026 1.00 0.00 H new ATOM 0 HG SER A 83 -8.909 17.869 -6.227 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.617 17.937 -1.430 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.705 18.010 0.021 1.00 0.00 C ATOM 1294 C GLY A 84 -5.980 16.852 0.711 1.00 0.00 C ATOM 1295 O GLY A 84 -5.370 16.003 0.061 1.00 0.00 O ATOM 0 H GLY A 84 -6.036 18.671 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.280 18.954 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.754 18.007 0.319 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.059 16.836 2.046 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.413 15.852 2.901 1.00 0.00 C ATOM 1301 C GLU A 85 -6.438 14.810 3.342 1.00 0.00 C ATOM 1302 O GLU A 85 -7.476 15.155 3.904 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.794 16.534 4.129 1.00 0.00 C ATOM 1304 CG GLU A 85 -3.547 17.360 3.784 1.00 0.00 C ATOM 1305 CD GLU A 85 -3.853 18.592 2.934 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.760 19.354 3.335 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -3.180 18.747 1.892 1.00 0.00 O ATOM 0 H GLU A 85 -6.591 17.530 2.570 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.617 15.362 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.537 17.183 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.530 15.775 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.062 17.676 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.837 16.727 3.252 1.00 0.00 H new ATOM 1314 N LEU A 86 -6.120 13.531 3.116 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.879 12.408 3.650 1.00 0.00 C ATOM 1316 C LEU A 86 -6.602 12.309 5.153 1.00 0.00 C ATOM 1317 O LEU A 86 -5.489 12.585 5.596 1.00 0.00 O ATOM 1318 CB LEU A 86 -6.476 11.133 2.896 1.00 0.00 C ATOM 1319 CG LEU A 86 -7.154 9.847 3.398 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.679 9.880 3.237 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -6.602 8.660 2.603 1.00 0.00 C ATOM 0 H LEU A 86 -5.319 13.249 2.551 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.951 12.546 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.711 11.263 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.395 11.010 2.969 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.938 9.754 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.104 8.947 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.087 10.716 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.931 10.000 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.074 7.740 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.814 8.801 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.524 8.593 2.751 1.00 0.00 H new ATOM 1333 N THR A 87 -7.626 11.951 5.935 1.00 0.00 N ATOM 1334 CA THR A 87 -7.595 11.981 7.386 1.00 0.00 C ATOM 1335 C THR A 87 -6.739 10.845 7.951 1.00 0.00 C ATOM 1336 O THR A 87 -5.734 11.104 8.609 1.00 0.00 O ATOM 1337 CB THR A 87 -9.039 11.924 7.910 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.725 10.822 7.349 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.800 13.208 7.561 1.00 0.00 C ATOM 0 H THR A 87 -8.517 11.626 5.559 1.00 0.00 H new ATOM 0 HA THR A 87 -7.130 12.908 7.721 1.00 0.00 H new ATOM 0 HB THR A 87 -8.992 11.817 8.994 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.642 10.798 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.819 13.142 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.297 14.063 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.826 13.333 6.478 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.158 9.598 7.707 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.555 8.387 8.259 1.00 0.00 C ATOM 1349 C ASP A 88 -6.334 7.358 7.150 1.00 0.00 C ATOM 1350 O ASP A 88 -6.896 7.477 6.062 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.478 7.798 9.336 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.740 8.774 10.481 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -8.721 9.541 10.362 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -6.958 8.732 11.455 1.00 0.00 O ATOM 0 H ASP A 88 -7.953 9.401 7.099 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.592 8.639 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.427 7.514 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.031 6.887 9.735 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.541 6.320 7.449 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.430 5.138 6.609 1.00 0.00 C ATOM 1361 C PHE A 89 -6.588 4.183 6.905 1.00 0.00 C ATOM 1362 O PHE A 89 -7.013 4.068 8.054 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.064 4.467 6.801 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.884 3.148 6.070 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.328 1.956 6.669 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.281 3.105 4.798 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.238 0.741 5.973 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.170 1.882 4.111 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.668 0.703 4.691 1.00 0.00 C ATOM 0 H PHE A 89 -4.959 6.285 8.286 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.497 5.429 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.288 5.157 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.906 4.298 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.739 1.976 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.903 4.012 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.608 -0.167 6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.702 1.850 3.138 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.612 -0.231 4.151 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.088 3.489 5.874 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.142 2.488 6.023 1.00 0.00 C ATOM 1381 C ARG A 90 -8.068 1.485 4.873 1.00 0.00 C ATOM 1382 O ARG A 90 -7.211 1.619 4.007 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.518 3.164 6.127 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.891 3.983 4.884 1.00 0.00 C ATOM 1385 CD ARG A 90 -11.310 4.537 5.056 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.722 5.339 3.897 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.962 5.826 3.713 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -13.932 5.587 4.608 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.233 6.558 2.624 1.00 0.00 N ATOM 0 H ARG A 90 -6.769 3.609 4.913 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.994 1.936 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.278 2.400 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.529 3.817 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.183 4.800 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.836 3.359 3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.009 3.712 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.356 5.149 5.957 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.021 5.540 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.733 5.030 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.869 5.962 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.500 6.744 1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.172 6.930 2.480 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.948 0.477 4.856 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.002 -0.516 3.788 1.00 0.00 C ATOM 1405 C ILE A 91 -10.449 -0.853 3.440 1.00 0.00 C ATOM 1406 O ILE A 91 -11.365 -0.565 4.211 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.186 -1.782 4.127 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.814 -2.715 5.185 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -6.730 -1.429 4.461 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -8.666 -2.269 6.642 1.00 0.00 C ATOM 0 H ILE A 91 -9.643 0.331 5.588 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.535 -0.077 2.906 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.204 -2.378 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.876 -2.820 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.367 -3.704 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.179 -2.340 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.269 -0.937 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.706 -0.759 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.144 -2.998 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.608 -2.194 6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.141 -1.297 6.775 1.00 0.00 H new ATOM 1422 N ARG A 92 -10.634 -1.475 2.271 1.00 0.00 N ATOM 1423 CA ARG A 92 -11.916 -2.002 1.822 1.00 0.00 C ATOM 1424 C ARG A 92 -12.242 -3.332 2.509 1.00 0.00 C ATOM 1425 O ARG A 92 -13.451 -3.598 2.672 1.00 0.00 O ATOM 1426 CB ARG A 92 -11.913 -2.147 0.295 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.890 -3.184 -0.198 1.00 0.00 C ATOM 1428 CD ARG A 92 -11.525 -4.465 -0.744 1.00 0.00 C ATOM 1429 NE ARG A 92 -11.719 -4.369 -2.201 1.00 0.00 N ATOM 1430 CZ ARG A 92 -12.852 -4.075 -2.860 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -14.005 -3.874 -2.207 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -12.822 -3.976 -4.198 1.00 0.00 N ATOM 1433 OXT ARG A 92 -11.284 -4.067 2.835 1.00 0.00 O ATOM 0 H ARG A 92 -9.879 -1.626 1.602 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.700 -1.298 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.909 -2.436 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.692 -1.180 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.276 -2.733 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.223 -3.442 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.889 -5.320 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.484 -4.639 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.896 -4.547 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.034 -3.943 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.854 -3.652 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.947 -4.123 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.674 -3.753 -4.712 1.00 0.00 H new TER 1447 ARG A 92