USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 438 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 NoAdj-H: A 16 HIS HE2 : A 16 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 54 ZNZN :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -6.25! C(o=-5.2!,f=-6.4!) USER MOD Set 1.2: A 42 THR OG1 : rot 57:sc= 1.07 USER MOD Single : A 1 SER N :NH3+ -139:sc= 0.506 (180deg=0.125) USER MOD Single : A 1 SER OG : rot 180:sc= 0.237 USER MOD Single : A 3 SER OG : rot 37:sc= 0.843 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 9 ASN :FLIP amide:sc= -7.01! C(o=-9!,f=-7!) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -0.0172 (180deg=-0.854) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -124:sc= 1.08 (180deg=0.188) USER MOD Single : A 46 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.047 5.003 -16.840 1.00 0.00 N ATOM 2 CA SER A 1 -5.834 5.901 -15.668 1.00 0.00 C ATOM 3 C SER A 1 -5.523 7.325 -16.139 1.00 0.00 C ATOM 4 O SER A 1 -4.405 7.640 -16.492 1.00 0.00 O ATOM 5 CB SER A 1 -4.636 5.308 -14.928 1.00 0.00 C ATOM 6 OG SER A 1 -3.744 4.728 -15.871 1.00 0.00 O ATOM 0 H1 SER A 1 -6.846 4.365 -16.648 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.256 5.576 -17.683 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.188 4.441 -17.008 1.00 0.00 H new ATOM 0 HA SER A 1 -6.717 5.964 -15.032 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.126 6.084 -14.357 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.971 4.555 -14.215 1.00 0.00 H new ATOM 0 HG SER A 1 -2.973 4.348 -15.401 1.00 0.00 H new ATOM 14 N ILE A 2 -6.504 8.187 -16.149 1.00 0.00 N ATOM 15 CA ILE A 2 -6.260 9.587 -16.601 1.00 0.00 C ATOM 16 C ILE A 2 -6.502 10.570 -15.451 1.00 0.00 C ATOM 17 O ILE A 2 -6.261 11.755 -15.575 1.00 0.00 O ATOM 18 CB ILE A 2 -7.268 9.819 -17.727 1.00 0.00 C ATOM 19 CG1 ILE A 2 -8.685 9.842 -17.149 1.00 0.00 C ATOM 20 CG2 ILE A 2 -7.157 8.688 -18.752 1.00 0.00 C ATOM 21 CD1 ILE A 2 -9.410 11.102 -17.629 1.00 0.00 C ATOM 0 H ILE A 2 -7.462 7.983 -15.864 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.233 9.739 -16.933 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.057 10.773 -18.211 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.232 8.953 -17.463 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.646 9.824 -16.060 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.875 8.853 -19.555 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.149 8.669 -19.165 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.368 7.735 -18.267 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.419 11.120 -17.218 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.866 11.985 -17.293 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.461 11.100 -18.718 1.00 0.00 H new ATOM 33 N SER A 3 -6.975 10.089 -14.334 1.00 0.00 N ATOM 34 CA SER A 3 -7.231 10.998 -13.179 1.00 0.00 C ATOM 35 C SER A 3 -7.283 10.194 -11.873 1.00 0.00 C ATOM 36 O SER A 3 -8.158 9.371 -11.687 1.00 0.00 O ATOM 37 CB SER A 3 -8.589 11.636 -13.470 1.00 0.00 C ATOM 38 OG SER A 3 -8.392 12.867 -14.154 1.00 0.00 O ATOM 0 H SER A 3 -7.195 9.107 -14.170 1.00 0.00 H new ATOM 0 HA SER A 3 -6.447 11.746 -13.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.198 10.964 -14.075 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.131 11.806 -12.540 1.00 0.00 H new ATOM 0 HG SER A 3 -7.641 12.778 -14.778 1.00 0.00 H new ATOM 44 N PRO A 4 -6.336 10.460 -11.012 1.00 0.00 N ATOM 45 CA PRO A 4 -6.269 9.750 -9.713 1.00 0.00 C ATOM 46 C PRO A 4 -7.288 10.329 -8.726 1.00 0.00 C ATOM 47 O PRO A 4 -7.129 11.425 -8.228 1.00 0.00 O ATOM 48 CB PRO A 4 -4.845 10.018 -9.235 1.00 0.00 C ATOM 49 CG PRO A 4 -4.432 11.291 -9.906 1.00 0.00 C ATOM 50 CD PRO A 4 -5.249 11.433 -11.168 1.00 0.00 C ATOM 0 HA PRO A 4 -6.498 8.688 -9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.807 10.116 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.179 9.198 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.598 12.142 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.368 11.272 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.636 12.446 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.651 11.221 -12.054 1.00 0.00 H new ATOM 58 N ARG A 5 -8.333 9.601 -8.438 1.00 0.00 N ATOM 59 CA ARG A 5 -9.355 10.114 -7.480 1.00 0.00 C ATOM 60 C ARG A 5 -10.192 8.956 -6.925 1.00 0.00 C ATOM 61 O ARG A 5 -9.864 7.801 -7.103 1.00 0.00 O ATOM 62 CB ARG A 5 -10.228 11.061 -8.304 1.00 0.00 C ATOM 63 CG ARG A 5 -11.063 10.251 -9.297 1.00 0.00 C ATOM 64 CD ARG A 5 -11.078 10.962 -10.652 1.00 0.00 C ATOM 65 NE ARG A 5 -12.519 11.074 -11.011 1.00 0.00 N ATOM 66 CZ ARG A 5 -13.009 10.345 -11.976 1.00 0.00 C ATOM 67 NH1 ARG A 5 -13.364 9.111 -11.744 1.00 0.00 N ATOM 68 NH2 ARG A 5 -13.143 10.849 -13.171 1.00 0.00 N ATOM 0 H ARG A 5 -8.523 8.676 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.904 10.616 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.881 11.635 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.603 11.777 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.648 9.249 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.081 10.136 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.610 11.944 -10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.527 10.394 -11.402 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.123 11.720 -10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.258 8.717 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.747 8.540 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.865 11.813 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.526 10.279 -13.925 1.00 0.00 H new ATOM 82 N THR A 6 -11.272 9.257 -6.256 1.00 0.00 N ATOM 83 CA THR A 6 -12.129 8.174 -5.692 1.00 0.00 C ATOM 84 C THR A 6 -13.125 7.691 -6.749 1.00 0.00 C ATOM 85 O THR A 6 -13.380 8.377 -7.717 1.00 0.00 O ATOM 86 CB THR A 6 -12.867 8.810 -4.512 1.00 0.00 C ATOM 87 OG1 THR A 6 -12.391 10.134 -4.308 1.00 0.00 O ATOM 88 CG2 THR A 6 -12.626 7.979 -3.251 1.00 0.00 C ATOM 0 H THR A 6 -11.598 10.206 -6.075 1.00 0.00 H new ATOM 0 HA THR A 6 -11.544 7.309 -5.380 1.00 0.00 H new ATOM 0 HB THR A 6 -13.935 8.840 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.866 10.540 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.152 8.432 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.996 6.966 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.558 7.946 -3.036 1.00 0.00 H new ATOM 96 N PRO A 7 -13.653 6.517 -6.524 1.00 0.00 N ATOM 97 CA PRO A 7 -14.632 5.921 -7.468 1.00 0.00 C ATOM 98 C PRO A 7 -15.990 6.625 -7.356 1.00 0.00 C ATOM 99 O PRO A 7 -16.690 6.477 -6.374 1.00 0.00 O ATOM 100 CB PRO A 7 -14.737 4.471 -7.005 1.00 0.00 C ATOM 101 CG PRO A 7 -14.346 4.493 -5.561 1.00 0.00 C ATOM 102 CD PRO A 7 -13.387 5.642 -5.377 1.00 0.00 C ATOM 0 HA PRO A 7 -14.328 6.014 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.750 4.089 -7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.076 3.824 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -15.223 4.619 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.878 3.551 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.560 6.159 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.352 5.300 -5.368 1.00 0.00 H new ATOM 110 N PRO A 8 -16.313 7.374 -8.376 1.00 0.00 N ATOM 111 CA PRO A 8 -17.587 8.116 -8.417 1.00 0.00 C ATOM 112 C PRO A 8 -18.682 7.271 -9.072 1.00 0.00 C ATOM 113 O PRO A 8 -18.585 6.065 -9.154 1.00 0.00 O ATOM 114 CB PRO A 8 -17.246 9.320 -9.290 1.00 0.00 C ATOM 115 CG PRO A 8 -16.094 8.887 -10.155 1.00 0.00 C ATOM 116 CD PRO A 8 -15.526 7.605 -9.586 1.00 0.00 C ATOM 0 HA PRO A 8 -17.964 8.386 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.101 9.617 -9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.974 10.181 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.427 8.732 -11.181 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.328 9.662 -10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.624 6.778 -10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.465 7.705 -9.358 1.00 0.00 H new ATOM 124 N ASN A 9 -19.714 7.913 -9.538 1.00 0.00 N ATOM 125 CA ASN A 9 -20.838 7.190 -10.209 1.00 0.00 C ATOM 126 C ASN A 9 -21.442 6.117 -9.301 1.00 0.00 C ATOM 127 O ASN A 9 -20.880 5.736 -8.293 1.00 0.00 O ATOM 128 CB ASN A 9 -20.236 6.581 -11.487 1.00 0.00 C ATOM 129 CG ASN A 9 -19.723 5.158 -11.232 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.578 4.187 -11.067 1.00 0.00 O flip ATOM 131 ND2 ASN A 9 -18.530 4.930 -11.187 1.00 0.00 N flip ATOM 0 H ASN A 9 -19.832 8.925 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.661 7.865 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.989 6.564 -12.275 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.418 7.208 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.861 5.689 -11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.198 3.980 -11.020 1.00 0.00 H new ATOM 138 N CYS A 10 -22.598 5.640 -9.668 1.00 0.00 N ATOM 139 CA CYS A 10 -23.284 4.596 -8.857 1.00 0.00 C ATOM 140 C CYS A 10 -22.756 3.209 -9.236 1.00 0.00 C ATOM 141 O CYS A 10 -22.534 2.918 -10.398 1.00 0.00 O ATOM 142 CB CYS A 10 -24.752 4.723 -9.247 1.00 0.00 C ATOM 143 SG CYS A 10 -25.693 3.377 -8.510 1.00 0.00 S ATOM 0 H CYS A 10 -23.103 5.932 -10.505 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.123 4.720 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.146 5.682 -8.911 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.854 4.699 -10.332 1.00 0.00 H new ATOM 148 N ALA A 11 -22.547 2.346 -8.277 1.00 0.00 N ATOM 149 CA ALA A 11 -22.021 0.997 -8.627 1.00 0.00 C ATOM 150 C ALA A 11 -23.148 0.034 -8.997 1.00 0.00 C ATOM 151 O ALA A 11 -22.957 -0.903 -9.744 1.00 0.00 O ATOM 152 CB ALA A 11 -21.278 0.502 -7.389 1.00 0.00 C ATOM 0 H ALA A 11 -22.714 2.513 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.367 1.050 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.867 -0.488 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.468 1.191 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -21.968 0.449 -6.547 1.00 0.00 H new ATOM 158 N ARG A 12 -24.315 0.256 -8.502 1.00 0.00 N ATOM 159 CA ARG A 12 -25.442 -0.645 -8.852 1.00 0.00 C ATOM 160 C ARG A 12 -25.649 -0.644 -10.351 1.00 0.00 C ATOM 161 O ARG A 12 -25.805 -1.676 -10.975 1.00 0.00 O ATOM 162 CB ARG A 12 -26.634 -0.011 -8.156 1.00 0.00 C ATOM 163 CG ARG A 12 -27.860 -0.891 -8.338 1.00 0.00 C ATOM 164 CD ARG A 12 -28.460 -1.223 -6.971 1.00 0.00 C ATOM 165 NE ARG A 12 -27.805 -2.495 -6.563 1.00 0.00 N ATOM 166 CZ ARG A 12 -27.951 -2.943 -5.346 1.00 0.00 C ATOM 167 NH1 ARG A 12 -27.703 -2.163 -4.331 1.00 0.00 N ATOM 168 NH2 ARG A 12 -28.345 -4.170 -5.145 1.00 0.00 N ATOM 0 H ARG A 12 -24.547 1.021 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.278 -1.680 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.421 0.118 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.822 0.981 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.598 -0.380 -8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.587 -1.809 -8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.264 -0.429 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.542 -1.338 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 12 -27.242 -3.017 -7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -27.395 -1.203 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.817 -2.512 -3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -28.539 -4.780 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -28.459 -4.520 -4.194 1.00 0.00 H new ATOM 182 N CYS A 13 -25.679 0.509 -10.930 1.00 0.00 N ATOM 183 CA CYS A 13 -25.910 0.582 -12.397 1.00 0.00 C ATOM 184 C CYS A 13 -24.613 0.376 -13.216 1.00 0.00 C ATOM 185 O CYS A 13 -24.678 0.002 -14.375 1.00 0.00 O ATOM 186 CB CYS A 13 -26.536 1.962 -12.629 1.00 0.00 C ATOM 187 SG CYS A 13 -25.441 3.228 -12.044 1.00 0.00 S ATOM 0 H CYS A 13 -25.555 1.406 -10.460 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.564 -0.220 -12.739 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.738 2.106 -13.691 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.493 2.029 -12.111 1.00 0.00 H new ATOM 192 N ARG A 14 -23.430 0.571 -12.669 1.00 0.00 N ATOM 193 CA ARG A 14 -22.225 0.320 -13.536 1.00 0.00 C ATOM 194 C ARG A 14 -22.108 -1.169 -13.835 1.00 0.00 C ATOM 195 O ARG A 14 -21.527 -1.579 -14.820 1.00 0.00 O ATOM 196 CB ARG A 14 -20.987 0.776 -12.757 1.00 0.00 C ATOM 197 CG ARG A 14 -20.977 0.159 -11.358 1.00 0.00 C ATOM 198 CD ARG A 14 -20.732 -1.352 -11.395 1.00 0.00 C ATOM 199 NE ARG A 14 -19.575 -1.578 -10.485 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.240 -2.793 -10.150 1.00 0.00 C ATOM 201 NH1 ARG A 14 -18.927 -3.660 -11.072 1.00 0.00 N ATOM 202 NH2 ARG A 14 -19.217 -3.140 -8.892 1.00 0.00 N ATOM 0 H ARG A 14 -23.249 0.876 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.314 0.864 -14.477 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.084 0.486 -13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.978 1.863 -12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.203 0.636 -10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -21.930 0.359 -10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.611 -1.903 -11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.510 -1.691 -12.407 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.046 -0.784 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.944 -3.388 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.665 -4.610 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.461 -2.461 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.955 -4.090 -8.630 1.00 0.00 H new ATOM 216 N ASN A 15 -22.629 -1.975 -12.964 1.00 0.00 N ATOM 217 CA ASN A 15 -22.535 -3.443 -13.139 1.00 0.00 C ATOM 218 C ASN A 15 -22.858 -3.801 -14.572 1.00 0.00 C ATOM 219 O ASN A 15 -22.321 -4.728 -15.147 1.00 0.00 O ATOM 220 CB ASN A 15 -23.599 -3.981 -12.197 1.00 0.00 C ATOM 221 CG ASN A 15 -23.101 -3.820 -10.772 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.047 -4.310 -10.417 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.827 -3.145 -9.935 1.00 0.00 N ATOM 0 H ASN A 15 -23.124 -1.674 -12.124 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.546 -3.848 -12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.536 -3.441 -12.335 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.801 -5.030 -12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.514 -3.023 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.710 -2.737 -10.240 1.00 0.00 H new ATOM 230 N HIS A 16 -23.755 -3.069 -15.132 1.00 0.00 N ATOM 231 CA HIS A 16 -24.183 -3.324 -16.523 1.00 0.00 C ATOM 232 C HIS A 16 -23.519 -2.344 -17.491 1.00 0.00 C ATOM 233 O HIS A 16 -23.517 -2.549 -18.689 1.00 0.00 O ATOM 234 CB HIS A 16 -25.683 -3.129 -16.442 1.00 0.00 C ATOM 235 CG HIS A 16 -26.208 -4.126 -15.472 1.00 0.00 C ATOM 236 ND1 HIS A 16 -26.772 -5.331 -15.874 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.235 -4.125 -14.112 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.110 -6.001 -14.760 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.808 -5.304 -13.669 1.00 0.00 N ATOM 0 H HIS A 16 -24.224 -2.285 -14.678 1.00 0.00 H new ATOM 0 HA HIS A 16 -23.905 -4.308 -16.901 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -25.922 -2.116 -16.118 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.142 -3.267 -17.421 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -26.904 -5.647 -16.835 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.868 -3.331 -13.479 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.568 -6.979 -14.752 1.00 0.00 H new ATOM 247 N GLY A 17 -22.942 -1.288 -16.988 1.00 0.00 N ATOM 248 CA GLY A 17 -22.268 -0.317 -17.897 1.00 0.00 C ATOM 249 C GLY A 17 -22.942 1.045 -17.778 1.00 0.00 C ATOM 250 O GLY A 17 -22.964 1.825 -18.709 1.00 0.00 O ATOM 0 H GLY A 17 -22.907 -1.056 -15.995 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.212 -0.235 -17.640 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.319 -0.671 -18.927 1.00 0.00 H new ATOM 254 N LEU A 18 -23.493 1.336 -16.638 1.00 0.00 N ATOM 255 CA LEU A 18 -24.169 2.645 -16.453 1.00 0.00 C ATOM 256 C LEU A 18 -23.249 3.601 -15.684 1.00 0.00 C ATOM 257 O LEU A 18 -22.416 3.184 -14.904 1.00 0.00 O ATOM 258 CB LEU A 18 -25.417 2.315 -15.636 1.00 0.00 C ATOM 259 CG LEU A 18 -26.615 3.104 -16.164 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.307 4.595 -16.103 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.898 2.698 -17.612 1.00 0.00 C ATOM 0 H LEU A 18 -23.505 0.722 -15.823 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.415 3.135 -17.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.624 1.246 -15.689 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.248 2.555 -14.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.490 2.889 -15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.161 5.159 -16.479 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -26.108 4.884 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.431 4.811 -16.715 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.752 3.261 -17.987 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -26.024 2.912 -18.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -27.120 1.632 -17.654 1.00 0.00 H new ATOM 273 N LYS A 19 -23.402 4.876 -15.892 1.00 0.00 N ATOM 274 CA LYS A 19 -22.555 5.870 -15.176 1.00 0.00 C ATOM 275 C LYS A 19 -23.370 7.144 -14.973 1.00 0.00 C ATOM 276 O LYS A 19 -23.377 8.036 -15.799 1.00 0.00 O ATOM 277 CB LYS A 19 -21.353 6.119 -16.088 1.00 0.00 C ATOM 278 CG LYS A 19 -20.348 4.973 -15.935 1.00 0.00 C ATOM 279 CD LYS A 19 -19.842 4.921 -14.492 1.00 0.00 C ATOM 280 CE LYS A 19 -18.312 4.981 -14.485 1.00 0.00 C ATOM 281 NZ LYS A 19 -17.985 6.402 -14.182 1.00 0.00 N ATOM 0 H LYS A 19 -24.085 5.278 -16.534 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.226 5.527 -14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.680 6.194 -17.125 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.880 7.068 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.818 4.026 -16.200 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.512 5.116 -16.619 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.252 5.754 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.183 4.005 -14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.894 4.311 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.900 4.678 -15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.109 6.669 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.763 7.013 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.855 6.517 -13.157 1.00 0.00 H new ATOM 295 N ILE A 20 -24.085 7.207 -13.893 1.00 0.00 N ATOM 296 CA ILE A 20 -24.953 8.391 -13.624 1.00 0.00 C ATOM 297 C ILE A 20 -24.257 9.374 -12.667 1.00 0.00 C ATOM 298 O ILE A 20 -24.798 10.412 -12.345 1.00 0.00 O ATOM 299 CB ILE A 20 -26.254 7.805 -13.010 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.280 7.975 -11.496 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.420 6.326 -13.388 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.609 6.799 -10.842 1.00 0.00 C ATOM 0 H ILE A 20 -24.110 6.484 -13.174 1.00 0.00 H new ATOM 0 HA ILE A 20 -25.165 8.964 -14.527 1.00 0.00 H new ATOM 0 HB ILE A 20 -27.093 8.364 -13.425 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.772 8.898 -11.215 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.309 8.059 -11.147 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.338 5.938 -12.946 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.471 6.231 -14.473 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.569 5.757 -13.014 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.630 6.924 -9.759 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.136 5.883 -11.112 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.575 6.736 -11.180 1.00 0.00 H new ATOM 314 N THR A 21 -23.083 9.035 -12.189 1.00 0.00 N ATOM 315 CA THR A 21 -22.347 9.927 -11.221 1.00 0.00 C ATOM 316 C THR A 21 -22.921 9.755 -9.803 1.00 0.00 C ATOM 317 O THR A 21 -22.489 10.384 -8.858 1.00 0.00 O ATOM 318 CB THR A 21 -22.560 11.360 -11.711 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.529 11.384 -13.132 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.454 12.260 -11.158 1.00 0.00 C ATOM 0 H THR A 21 -22.595 8.172 -12.427 1.00 0.00 H new ATOM 0 HA THR A 21 -21.286 9.679 -11.177 1.00 0.00 H new ATOM 0 HB THR A 21 -23.527 11.723 -11.364 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.667 12.302 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.607 13.281 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.481 12.242 -10.068 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.485 11.899 -11.503 1.00 0.00 H new ATOM 328 N LEU A 22 -23.893 8.899 -9.669 1.00 0.00 N ATOM 329 CA LEU A 22 -24.537 8.639 -8.340 1.00 0.00 C ATOM 330 C LEU A 22 -24.891 9.949 -7.636 1.00 0.00 C ATOM 331 O LEU A 22 -25.071 9.989 -6.436 1.00 0.00 O ATOM 332 CB LEU A 22 -23.506 7.847 -7.537 1.00 0.00 C ATOM 333 CG LEU A 22 -24.042 7.602 -6.125 1.00 0.00 C ATOM 334 CD1 LEU A 22 -23.903 6.119 -5.775 1.00 0.00 C ATOM 335 CD2 LEU A 22 -23.244 8.440 -5.125 1.00 0.00 C ATOM 0 H LEU A 22 -24.281 8.354 -10.439 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.473 8.090 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.297 6.897 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.565 8.395 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.093 7.887 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.285 5.945 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.472 5.522 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -22.852 5.832 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.625 8.266 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.193 8.155 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.345 9.496 -5.374 1.00 0.00 H new ATOM 347 N LYS A 23 -25.018 11.017 -8.374 1.00 0.00 N ATOM 348 CA LYS A 23 -25.390 12.312 -7.741 1.00 0.00 C ATOM 349 C LYS A 23 -26.902 12.327 -7.500 1.00 0.00 C ATOM 350 O LYS A 23 -27.679 12.343 -8.433 1.00 0.00 O ATOM 351 CB LYS A 23 -24.994 13.383 -8.758 1.00 0.00 C ATOM 352 CG LYS A 23 -24.003 14.358 -8.120 1.00 0.00 C ATOM 353 CD LYS A 23 -22.683 13.637 -7.838 1.00 0.00 C ATOM 354 CE LYS A 23 -21.782 14.538 -6.990 1.00 0.00 C ATOM 355 NZ LYS A 23 -20.397 14.229 -7.439 1.00 0.00 N ATOM 0 H LYS A 23 -24.881 11.049 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.898 12.476 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.547 12.917 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.879 13.920 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.832 15.205 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.416 14.758 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.873 12.699 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.186 13.386 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.021 15.591 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.907 14.333 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.721 14.809 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.196 13.222 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.306 14.440 -8.453 1.00 0.00 H new ATOM 369 N GLY A 24 -27.337 12.284 -6.263 1.00 0.00 N ATOM 370 CA GLY A 24 -28.809 12.253 -6.013 1.00 0.00 C ATOM 371 C GLY A 24 -29.384 11.172 -6.921 1.00 0.00 C ATOM 372 O GLY A 24 -30.223 11.422 -7.762 1.00 0.00 O ATOM 0 H GLY A 24 -26.747 12.269 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.019 12.032 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.259 13.221 -6.231 1.00 0.00 H new ATOM 376 N HIS A 25 -28.875 9.978 -6.790 1.00 0.00 N ATOM 377 CA HIS A 25 -29.308 8.862 -7.676 1.00 0.00 C ATOM 378 C HIS A 25 -29.974 7.727 -6.887 1.00 0.00 C ATOM 379 O HIS A 25 -31.128 7.814 -6.518 1.00 0.00 O ATOM 380 CB HIS A 25 -27.988 8.409 -8.287 1.00 0.00 C ATOM 381 CG HIS A 25 -28.177 7.219 -9.180 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.930 7.275 -10.340 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.603 5.975 -9.168 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.761 6.104 -10.980 1.00 0.00 C ATOM 385 NE2 HIS A 25 -27.971 5.282 -10.298 1.00 0.00 N ATOM 0 H HIS A 25 -28.169 9.726 -6.098 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.057 9.160 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.550 9.228 -8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.284 8.161 -7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.505 8.058 -10.651 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -26.959 5.596 -8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.212 5.862 -11.931 1.00 0.00 H new ATOM 393 N LYS A 26 -29.262 6.655 -6.644 1.00 0.00 N ATOM 394 CA LYS A 26 -29.856 5.506 -5.906 1.00 0.00 C ATOM 395 C LYS A 26 -31.251 5.190 -6.464 1.00 0.00 C ATOM 396 O LYS A 26 -31.392 4.419 -7.393 1.00 0.00 O ATOM 397 CB LYS A 26 -29.924 5.949 -4.440 1.00 0.00 C ATOM 398 CG LYS A 26 -30.438 4.791 -3.577 1.00 0.00 C ATOM 399 CD LYS A 26 -31.711 5.215 -2.838 1.00 0.00 C ATOM 400 CE LYS A 26 -31.379 6.310 -1.819 1.00 0.00 C ATOM 401 NZ LYS A 26 -31.468 5.640 -0.491 1.00 0.00 N ATOM 0 H LYS A 26 -28.290 6.529 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.266 4.596 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.937 6.261 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.584 6.811 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.643 3.923 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.673 4.493 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.451 5.580 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.152 4.356 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -30.383 6.719 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.081 7.141 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -31.253 6.327 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.429 5.267 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -30.784 4.858 -0.450 1.00 0.00 H new ATOM 415 N ARG A 27 -32.281 5.782 -5.922 1.00 0.00 N ATOM 416 CA ARG A 27 -33.650 5.511 -6.447 1.00 0.00 C ATOM 417 C ARG A 27 -33.662 5.719 -7.962 1.00 0.00 C ATOM 418 O ARG A 27 -34.467 5.153 -8.675 1.00 0.00 O ATOM 419 CB ARG A 27 -34.548 6.536 -5.749 1.00 0.00 C ATOM 420 CG ARG A 27 -35.848 6.713 -6.540 1.00 0.00 C ATOM 421 CD ARG A 27 -36.792 7.637 -5.767 1.00 0.00 C ATOM 422 NE ARG A 27 -38.161 7.180 -6.133 1.00 0.00 N ATOM 423 CZ ARG A 27 -39.172 7.995 -6.014 1.00 0.00 C ATOM 424 NH1 ARG A 27 -39.645 8.281 -4.832 1.00 0.00 N ATOM 425 NH2 ARG A 27 -39.709 8.527 -7.077 1.00 0.00 N ATOM 0 H ARG A 27 -32.234 6.438 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 27 -33.985 4.491 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.771 6.206 -4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.029 7.491 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -35.634 7.133 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.322 5.745 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.625 7.563 -4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -36.637 8.680 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 27 -38.308 6.231 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -39.224 7.867 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -40.436 8.919 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -39.338 8.305 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -40.500 9.165 -6.984 1.00 0.00 H new ATOM 439 N TYR A 28 -32.768 6.529 -8.452 1.00 0.00 N ATOM 440 CA TYR A 28 -32.706 6.789 -9.917 1.00 0.00 C ATOM 441 C TYR A 28 -31.785 5.772 -10.593 1.00 0.00 C ATOM 442 O TYR A 28 -31.243 6.019 -11.653 1.00 0.00 O ATOM 443 CB TYR A 28 -32.118 8.194 -10.028 1.00 0.00 C ATOM 444 CG TYR A 28 -33.062 9.185 -9.388 1.00 0.00 C ATOM 445 CD1 TYR A 28 -34.374 9.308 -9.862 1.00 0.00 C ATOM 446 CD2 TYR A 28 -32.626 9.983 -8.324 1.00 0.00 C ATOM 447 CE1 TYR A 28 -35.250 10.228 -9.271 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.502 10.903 -7.733 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.813 11.026 -8.208 1.00 0.00 C ATOM 450 OH TYR A 28 -35.674 11.935 -7.626 1.00 0.00 O ATOM 0 H TYR A 28 -32.072 7.026 -7.897 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.680 6.706 -10.400 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.145 8.233 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.958 8.451 -11.075 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.711 8.693 -10.684 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.614 9.890 -7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -36.262 10.321 -9.636 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.166 11.517 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.212 12.406 -6.902 1.00 0.00 H new ATOM 460 N CYS A 29 -31.591 4.636 -9.983 1.00 0.00 N ATOM 461 CA CYS A 29 -30.689 3.612 -10.588 1.00 0.00 C ATOM 462 C CYS A 29 -31.475 2.594 -11.411 1.00 0.00 C ATOM 463 O CYS A 29 -32.219 1.800 -10.879 1.00 0.00 O ATOM 464 CB CYS A 29 -30.034 2.901 -9.401 1.00 0.00 C ATOM 465 SG CYS A 29 -28.630 1.927 -9.993 1.00 0.00 S ATOM 0 H CYS A 29 -32.016 4.371 -9.094 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.967 4.077 -11.259 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.700 3.631 -8.663 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.757 2.254 -8.905 1.00 0.00 H new ATOM 470 N LYS A 30 -31.287 2.568 -12.701 1.00 0.00 N ATOM 471 CA LYS A 30 -32.002 1.546 -13.513 1.00 0.00 C ATOM 472 C LYS A 30 -31.740 0.176 -12.880 1.00 0.00 C ATOM 473 O LYS A 30 -32.487 -0.767 -13.048 1.00 0.00 O ATOM 474 CB LYS A 30 -31.377 1.634 -14.907 1.00 0.00 C ATOM 475 CG LYS A 30 -32.378 1.135 -15.952 1.00 0.00 C ATOM 476 CD LYS A 30 -31.624 0.649 -17.191 1.00 0.00 C ATOM 477 CE LYS A 30 -32.533 0.756 -18.418 1.00 0.00 C ATOM 478 NZ LYS A 30 -31.608 0.977 -19.564 1.00 0.00 N ATOM 0 H LYS A 30 -30.679 3.200 -13.221 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.080 1.699 -13.562 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.092 2.663 -15.124 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.466 1.036 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -32.978 0.325 -15.538 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -33.066 1.936 -16.223 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.724 1.246 -17.339 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -31.303 -0.383 -17.052 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -33.121 -0.152 -18.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -33.239 1.580 -18.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.158 1.061 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.067 1.852 -19.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.952 0.173 -19.641 1.00 0.00 H new ATOM 492 N PHE A 31 -30.666 0.088 -12.141 1.00 0.00 N ATOM 493 CA PHE A 31 -30.287 -1.177 -11.454 1.00 0.00 C ATOM 494 C PHE A 31 -30.577 -1.041 -9.955 1.00 0.00 C ATOM 495 O PHE A 31 -30.091 -1.802 -9.143 1.00 0.00 O ATOM 496 CB PHE A 31 -28.781 -1.276 -11.745 1.00 0.00 C ATOM 497 CG PHE A 31 -28.612 -1.252 -13.240 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.546 -0.027 -13.912 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.549 -2.449 -13.955 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.408 0.001 -15.302 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.416 -2.424 -15.347 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.344 -1.199 -16.022 1.00 0.00 C ATOM 0 H PHE A 31 -30.021 0.862 -11.982 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.830 -2.062 -11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.245 -0.446 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.368 -2.194 -11.326 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.602 0.897 -13.356 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.603 -3.393 -13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.351 0.947 -15.821 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.369 -3.350 -15.902 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.239 -1.179 -17.097 1.00 0.00 H new ATOM 512 N ARG A 32 -31.373 -0.064 -9.589 1.00 0.00 N ATOM 513 CA ARG A 32 -31.702 0.148 -8.148 1.00 0.00 C ATOM 514 C ARG A 32 -32.229 -1.140 -7.520 1.00 0.00 C ATOM 515 O ARG A 32 -32.085 -1.373 -6.336 1.00 0.00 O ATOM 516 CB ARG A 32 -32.779 1.249 -8.124 1.00 0.00 C ATOM 517 CG ARG A 32 -34.157 0.668 -8.463 1.00 0.00 C ATOM 518 CD ARG A 32 -34.297 0.500 -9.976 1.00 0.00 C ATOM 519 NE ARG A 32 -35.653 -0.084 -10.167 1.00 0.00 N ATOM 520 CZ ARG A 32 -35.928 -0.767 -11.243 1.00 0.00 C ATOM 521 NH1 ARG A 32 -35.222 -0.593 -12.327 1.00 0.00 N ATOM 522 NH2 ARG A 32 -36.913 -1.623 -11.235 1.00 0.00 N ATOM 0 H ARG A 32 -31.810 0.597 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.822 0.437 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.808 1.715 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.523 2.031 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.286 -0.295 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -34.940 1.327 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -34.201 1.456 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.523 -0.156 -10.375 1.00 0.00 H new ATOM 0 HE ARG A 32 -36.369 0.051 -9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -34.454 0.078 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -35.438 -1.128 -13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -37.466 -1.757 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -37.130 -2.159 -12.076 1.00 0.00 H new ATOM 536 N TYR A 33 -32.852 -1.970 -8.304 1.00 0.00 N ATOM 537 CA TYR A 33 -33.404 -3.242 -7.750 1.00 0.00 C ATOM 538 C TYR A 33 -32.843 -4.455 -8.494 1.00 0.00 C ATOM 539 O TYR A 33 -33.187 -5.582 -8.194 1.00 0.00 O ATOM 540 CB TYR A 33 -34.919 -3.150 -7.950 1.00 0.00 C ATOM 541 CG TYR A 33 -35.489 -2.040 -7.094 1.00 0.00 C ATOM 542 CD1 TYR A 33 -34.918 -1.740 -5.847 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.590 -1.306 -7.550 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.450 -0.710 -5.063 1.00 0.00 C ATOM 545 CE2 TYR A 33 -37.122 -0.277 -6.765 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.552 0.022 -5.522 1.00 0.00 C ATOM 547 OH TYR A 33 -37.077 1.038 -4.748 1.00 0.00 O ATOM 0 H TYR A 33 -33.005 -1.827 -9.302 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.135 -3.368 -6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.145 -2.963 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.387 -4.099 -7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.068 -2.304 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -37.030 -1.534 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -35.011 -0.480 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.973 0.287 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.837 1.445 -5.214 1.00 0.00 H new ATOM 557 N CYS A 34 -31.982 -4.249 -9.452 1.00 0.00 N ATOM 558 CA CYS A 34 -31.416 -5.418 -10.185 1.00 0.00 C ATOM 559 C CYS A 34 -30.994 -6.490 -9.175 1.00 0.00 C ATOM 560 O CYS A 34 -30.964 -6.253 -7.983 1.00 0.00 O ATOM 561 CB CYS A 34 -30.192 -4.884 -10.928 1.00 0.00 C ATOM 562 SG CYS A 34 -29.494 -6.196 -11.948 1.00 0.00 S ATOM 0 H CYS A 34 -31.649 -3.334 -9.757 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.135 -5.866 -10.871 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.472 -4.034 -11.550 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.448 -4.526 -10.216 1.00 0.00 H new ATOM 567 N THR A 35 -30.671 -7.665 -9.634 1.00 0.00 N ATOM 568 CA THR A 35 -30.257 -8.742 -8.688 1.00 0.00 C ATOM 569 C THR A 35 -29.094 -9.555 -9.265 1.00 0.00 C ATOM 570 O THR A 35 -28.657 -10.522 -8.674 1.00 0.00 O ATOM 571 CB THR A 35 -31.497 -9.622 -8.526 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.035 -9.915 -9.808 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.542 -8.885 -7.689 1.00 0.00 C ATOM 0 H THR A 35 -30.675 -7.928 -10.619 1.00 0.00 H new ATOM 0 HA THR A 35 -29.911 -8.338 -7.737 1.00 0.00 H new ATOM 0 HB THR A 35 -31.223 -10.550 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.829 -10.480 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.425 -9.513 -7.574 1.00 0.00 H new ATOM 0 HG22 THR A 35 -32.128 -8.659 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.819 -7.957 -8.188 1.00 0.00 H new ATOM 581 N CYS A 36 -28.578 -9.177 -10.405 1.00 0.00 N ATOM 582 CA CYS A 36 -27.439 -9.948 -10.978 1.00 0.00 C ATOM 583 C CYS A 36 -26.381 -10.159 -9.882 1.00 0.00 C ATOM 584 O CYS A 36 -26.507 -9.643 -8.788 1.00 0.00 O ATOM 585 CB CYS A 36 -26.900 -9.094 -12.126 1.00 0.00 C ATOM 586 SG CYS A 36 -26.025 -7.666 -11.465 1.00 0.00 S ATOM 0 H CYS A 36 -28.892 -8.379 -10.957 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.729 -10.934 -11.342 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.230 -9.687 -12.749 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.721 -8.766 -12.764 1.00 0.00 H new ATOM 591 N GLU A 37 -25.354 -10.920 -10.146 1.00 0.00 N ATOM 592 CA GLU A 37 -24.321 -11.164 -9.088 1.00 0.00 C ATOM 593 C GLU A 37 -23.328 -9.996 -8.994 1.00 0.00 C ATOM 594 O GLU A 37 -22.434 -10.000 -8.170 1.00 0.00 O ATOM 595 CB GLU A 37 -23.605 -12.442 -9.524 1.00 0.00 C ATOM 596 CG GLU A 37 -22.578 -12.840 -8.463 1.00 0.00 C ATOM 597 CD GLU A 37 -22.944 -14.210 -7.887 1.00 0.00 C ATOM 598 OE1 GLU A 37 -24.055 -14.351 -7.405 1.00 0.00 O ATOM 599 OE2 GLU A 37 -22.106 -15.096 -7.940 1.00 0.00 O ATOM 0 H GLU A 37 -25.182 -11.382 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.773 -11.256 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.327 -13.246 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.111 -12.285 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.581 -12.873 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.553 -12.094 -7.668 1.00 0.00 H new ATOM 606 N LYS A 38 -23.489 -8.993 -9.807 1.00 0.00 N ATOM 607 CA LYS A 38 -22.565 -7.822 -9.746 1.00 0.00 C ATOM 608 C LYS A 38 -23.261 -6.689 -9.005 1.00 0.00 C ATOM 609 O LYS A 38 -22.644 -5.753 -8.537 1.00 0.00 O ATOM 610 CB LYS A 38 -22.305 -7.438 -11.203 1.00 0.00 C ATOM 611 CG LYS A 38 -20.806 -7.220 -11.415 1.00 0.00 C ATOM 612 CD LYS A 38 -20.342 -8.016 -12.635 1.00 0.00 C ATOM 613 CE LYS A 38 -21.147 -7.583 -13.863 1.00 0.00 C ATOM 614 NZ LYS A 38 -20.482 -6.340 -14.341 1.00 0.00 N ATOM 0 H LYS A 38 -24.221 -8.930 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.633 -8.039 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.666 -8.223 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.854 -6.531 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.599 -6.160 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.253 -7.535 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.278 -7.851 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.474 -9.083 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.140 -8.355 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.190 -7.399 -13.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.178 -5.569 -14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.718 -6.080 -13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.084 -6.501 -15.288 1.00 0.00 H new ATOM 628 N CYS A 39 -24.551 -6.794 -8.876 1.00 0.00 N ATOM 629 CA CYS A 39 -25.322 -5.765 -8.145 1.00 0.00 C ATOM 630 C CYS A 39 -25.384 -6.194 -6.685 1.00 0.00 C ATOM 631 O CYS A 39 -25.248 -5.397 -5.778 1.00 0.00 O ATOM 632 CB CYS A 39 -26.708 -5.804 -8.775 1.00 0.00 C ATOM 633 SG CYS A 39 -26.878 -4.456 -9.965 1.00 0.00 S ATOM 0 H CYS A 39 -25.108 -7.561 -9.252 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.893 -4.764 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.865 -6.762 -9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.471 -5.717 -8.002 1.00 0.00 H new ATOM 638 N ARG A 40 -25.554 -7.472 -6.462 1.00 0.00 N ATOM 639 CA ARG A 40 -25.584 -7.985 -5.070 1.00 0.00 C ATOM 640 C ARG A 40 -24.155 -7.986 -4.541 1.00 0.00 C ATOM 641 O ARG A 40 -23.900 -7.735 -3.380 1.00 0.00 O ATOM 642 CB ARG A 40 -26.130 -9.410 -5.177 1.00 0.00 C ATOM 643 CG ARG A 40 -27.592 -9.432 -4.732 1.00 0.00 C ATOM 644 CD ARG A 40 -28.171 -10.832 -4.944 1.00 0.00 C ATOM 645 NE ARG A 40 -28.877 -11.154 -3.673 1.00 0.00 N ATOM 646 CZ ARG A 40 -29.815 -12.062 -3.659 1.00 0.00 C ATOM 647 NH1 ARG A 40 -31.026 -11.755 -4.038 1.00 0.00 N ATOM 648 NH2 ARG A 40 -29.543 -13.275 -3.263 1.00 0.00 N ATOM 0 H ARG A 40 -25.673 -8.179 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.197 -7.387 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -26.046 -9.767 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.540 -10.084 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.667 -9.151 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -28.167 -8.700 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -28.856 -10.852 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.384 -11.557 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 40 -28.628 -10.665 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -31.239 -10.806 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -31.759 -12.464 -4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -28.597 -13.514 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -30.276 -13.984 -3.252 1.00 0.00 H new ATOM 662 N LEU A 41 -23.218 -8.238 -5.414 1.00 0.00 N ATOM 663 CA LEU A 41 -21.788 -8.226 -5.006 1.00 0.00 C ATOM 664 C LEU A 41 -21.402 -6.792 -4.648 1.00 0.00 C ATOM 665 O LEU A 41 -20.576 -6.546 -3.791 1.00 0.00 O ATOM 666 CB LEU A 41 -21.027 -8.726 -6.243 1.00 0.00 C ATOM 667 CG LEU A 41 -19.611 -8.143 -6.277 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.968 -8.264 -4.894 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.769 -8.916 -7.296 1.00 0.00 C ATOM 0 H LEU A 41 -23.384 -8.453 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.569 -8.848 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.978 -9.815 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.565 -8.442 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.661 -7.092 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.961 -7.848 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.566 -7.716 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.918 -9.314 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.760 -8.503 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.724 -9.966 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.223 -8.829 -8.283 1.00 0.00 H new ATOM 681 N THR A 42 -22.020 -5.845 -5.294 1.00 0.00 N ATOM 682 CA THR A 42 -21.727 -4.416 -4.996 1.00 0.00 C ATOM 683 C THR A 42 -22.238 -4.077 -3.603 1.00 0.00 C ATOM 684 O THR A 42 -21.475 -3.830 -2.690 1.00 0.00 O ATOM 685 CB THR A 42 -22.497 -3.626 -6.051 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.871 -3.788 -7.317 1.00 0.00 O ATOM 687 CG2 THR A 42 -22.511 -2.146 -5.669 1.00 0.00 C ATOM 0 H THR A 42 -22.720 -6.000 -6.020 1.00 0.00 H new ATOM 0 HA THR A 42 -20.661 -4.190 -5.021 1.00 0.00 H new ATOM 0 HB THR A 42 -23.521 -3.995 -6.106 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.822 -4.741 -7.538 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.061 -1.581 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.995 -2.025 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.488 -1.775 -5.613 1.00 0.00 H new ATOM 695 N ALA A 43 -23.529 -4.084 -3.433 1.00 0.00 N ATOM 696 CA ALA A 43 -24.108 -3.788 -2.093 1.00 0.00 C ATOM 697 C ALA A 43 -23.285 -4.516 -1.035 1.00 0.00 C ATOM 698 O ALA A 43 -23.101 -4.045 0.070 1.00 0.00 O ATOM 699 CB ALA A 43 -25.533 -4.341 -2.144 1.00 0.00 C ATOM 0 H ALA A 43 -24.211 -4.282 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.104 -2.726 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -26.028 -4.161 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -26.088 -3.844 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.501 -5.413 -2.339 1.00 0.00 H new ATOM 705 N ASP A 44 -22.767 -5.661 -1.388 1.00 0.00 N ATOM 706 CA ASP A 44 -21.926 -6.434 -0.438 1.00 0.00 C ATOM 707 C ASP A 44 -20.620 -5.677 -0.194 1.00 0.00 C ATOM 708 O ASP A 44 -20.146 -5.567 0.919 1.00 0.00 O ATOM 709 CB ASP A 44 -21.653 -7.755 -1.157 1.00 0.00 C ATOM 710 CG ASP A 44 -20.980 -8.734 -0.194 1.00 0.00 C ATOM 711 OD1 ASP A 44 -20.523 -8.290 0.847 1.00 0.00 O ATOM 712 OD2 ASP A 44 -20.931 -9.910 -0.515 1.00 0.00 O ATOM 0 H ASP A 44 -22.893 -6.095 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 44 -22.402 -6.588 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.586 -8.178 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.014 -7.584 -2.023 1.00 0.00 H new ATOM 717 N ARG A 45 -20.043 -5.147 -1.239 1.00 0.00 N ATOM 718 CA ARG A 45 -18.772 -4.385 -1.092 1.00 0.00 C ATOM 719 C ARG A 45 -18.981 -3.188 -0.160 1.00 0.00 C ATOM 720 O ARG A 45 -18.043 -2.654 0.398 1.00 0.00 O ATOM 721 CB ARG A 45 -18.438 -3.911 -2.509 1.00 0.00 C ATOM 722 CG ARG A 45 -16.924 -3.964 -2.726 1.00 0.00 C ATOM 723 CD ARG A 45 -16.556 -5.264 -3.442 1.00 0.00 C ATOM 724 NE ARG A 45 -15.846 -6.079 -2.418 1.00 0.00 N ATOM 725 CZ ARG A 45 -14.549 -6.006 -2.311 1.00 0.00 C ATOM 726 NH1 ARG A 45 -13.929 -4.899 -2.620 1.00 0.00 N ATOM 727 NH2 ARG A 45 -13.870 -7.040 -1.894 1.00 0.00 N ATOM 0 H ARG A 45 -20.400 -5.210 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.971 -4.986 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.943 -4.540 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.801 -2.894 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.600 -3.107 -3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.406 -3.905 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.444 -5.778 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.919 -5.073 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.375 -6.695 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.460 -4.091 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.914 -4.842 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.354 -7.904 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.855 -6.984 -1.810 1.00 0.00 H new ATOM 741 N GLN A 46 -20.202 -2.759 0.009 1.00 0.00 N ATOM 742 CA GLN A 46 -20.465 -1.594 0.902 1.00 0.00 C ATOM 743 C GLN A 46 -21.059 -2.061 2.236 1.00 0.00 C ATOM 744 O GLN A 46 -20.927 -1.402 3.247 1.00 0.00 O ATOM 745 CB GLN A 46 -21.471 -0.729 0.140 1.00 0.00 C ATOM 746 CG GLN A 46 -21.591 0.634 0.825 1.00 0.00 C ATOM 747 CD GLN A 46 -22.296 1.615 -0.112 1.00 0.00 C ATOM 748 OE1 GLN A 46 -22.711 1.250 -1.194 1.00 0.00 O ATOM 749 NE2 GLN A 46 -22.453 2.855 0.262 1.00 0.00 N ATOM 0 H GLN A 46 -21.028 -3.164 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.553 -1.047 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.149 -0.602 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -22.443 -1.221 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -22.150 0.537 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.602 1.010 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -22.105 3.162 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -22.924 3.518 -0.354 1.00 0.00 H new ATOM 758 N ARG A 47 -21.711 -3.193 2.248 1.00 0.00 N ATOM 759 CA ARG A 47 -22.305 -3.694 3.521 1.00 0.00 C ATOM 760 C ARG A 47 -21.301 -4.588 4.251 1.00 0.00 C ATOM 761 O ARG A 47 -21.568 -5.741 4.530 1.00 0.00 O ATOM 762 CB ARG A 47 -23.534 -4.500 3.099 1.00 0.00 C ATOM 763 CG ARG A 47 -24.755 -4.024 3.888 1.00 0.00 C ATOM 764 CD ARG A 47 -25.897 -3.706 2.920 1.00 0.00 C ATOM 765 NE ARG A 47 -27.134 -3.768 3.748 1.00 0.00 N ATOM 766 CZ ARG A 47 -27.991 -2.783 3.716 1.00 0.00 C ATOM 767 NH1 ARG A 47 -27.591 -1.562 3.940 1.00 0.00 N ATOM 768 NH2 ARG A 47 -29.248 -3.021 3.457 1.00 0.00 N ATOM 0 H ARG A 47 -21.858 -3.790 1.434 1.00 0.00 H new ATOM 0 HA ARG A 47 -22.567 -2.884 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.710 -4.381 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -23.364 -5.562 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -25.067 -4.793 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.502 -3.139 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.771 -2.720 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.933 -4.426 2.102 1.00 0.00 H new ATOM 0 HE ARG A 47 -27.312 -4.580 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.608 -1.376 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.261 -0.793 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -29.560 -3.976 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -29.918 -2.252 3.432 1.00 0.00 H new ATOM 782 N VAL A 48 -20.145 -4.068 4.560 1.00 0.00 N ATOM 783 CA VAL A 48 -19.121 -4.888 5.270 1.00 0.00 C ATOM 784 C VAL A 48 -18.160 -3.982 6.040 1.00 0.00 C ATOM 785 O VAL A 48 -16.956 -4.092 5.922 1.00 0.00 O ATOM 786 CB VAL A 48 -18.381 -5.639 4.165 1.00 0.00 C ATOM 787 CG1 VAL A 48 -19.282 -6.738 3.599 1.00 0.00 C ATOM 788 CG2 VAL A 48 -18.011 -4.660 3.049 1.00 0.00 C ATOM 0 H VAL A 48 -19.864 -3.110 4.352 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.567 -5.567 5.997 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.476 -6.089 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.752 -7.273 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.549 -7.435 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -20.187 -6.291 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -17.483 -5.192 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.918 -4.213 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.369 -3.876 3.451 1.00 0.00 H new ATOM 798 N MET A 49 -18.687 -3.090 6.829 1.00 0.00 N ATOM 799 CA MET A 49 -17.810 -2.173 7.616 1.00 0.00 C ATOM 800 C MET A 49 -18.155 -2.268 9.101 1.00 0.00 C ATOM 801 O MET A 49 -17.596 -3.061 9.832 1.00 0.00 O ATOM 802 CB MET A 49 -18.117 -0.774 7.078 1.00 0.00 C ATOM 803 CG MET A 49 -17.330 -0.539 5.787 1.00 0.00 C ATOM 804 SD MET A 49 -16.933 1.220 5.634 1.00 0.00 S ATOM 805 CE MET A 49 -18.054 1.586 4.261 1.00 0.00 C ATOM 0 H MET A 49 -19.689 -2.954 6.965 1.00 0.00 H new ATOM 0 HA MET A 49 -16.753 -2.421 7.519 1.00 0.00 H new ATOM 0 HB2 MET A 49 -19.186 -0.672 6.889 1.00 0.00 H new ATOM 0 HB3 MET A 49 -17.852 -0.021 7.820 1.00 0.00 H new ATOM 0 HG2 MET A 49 -16.414 -1.130 5.794 1.00 0.00 H new ATOM 0 HG3 MET A 49 -17.914 -0.867 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 49 -17.972 2.640 3.995 1.00 0.00 H new ATOM 0 HE2 MET A 49 -17.787 0.973 3.400 1.00 0.00 H new ATOM 0 HE3 MET A 49 -19.079 1.366 4.559 1.00 0.00 H new ATOM 815 N ALA A 50 -19.078 -1.468 9.549 1.00 0.00 N ATOM 816 CA ALA A 50 -19.471 -1.513 10.985 1.00 0.00 C ATOM 817 C ALA A 50 -20.423 -2.686 11.222 1.00 0.00 C ATOM 818 O ALA A 50 -20.540 -3.195 12.320 1.00 0.00 O ATOM 819 CB ALA A 50 -20.178 -0.183 11.242 1.00 0.00 C ATOM 0 H ALA A 50 -19.579 -0.783 8.983 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.619 -1.652 11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -20.500 -0.137 12.282 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -19.492 0.639 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.047 -0.101 10.589 1.00 0.00 H new ATOM 825 N LEU A 51 -21.104 -3.120 10.197 1.00 0.00 N ATOM 826 CA LEU A 51 -22.049 -4.263 10.353 1.00 0.00 C ATOM 827 C LEU A 51 -21.467 -5.519 9.702 1.00 0.00 C ATOM 828 O LEU A 51 -22.040 -6.080 8.789 1.00 0.00 O ATOM 829 CB LEU A 51 -23.321 -3.825 9.628 1.00 0.00 C ATOM 830 CG LEU A 51 -24.391 -3.451 10.653 1.00 0.00 C ATOM 831 CD1 LEU A 51 -24.840 -4.707 11.402 1.00 0.00 C ATOM 832 CD2 LEU A 51 -23.813 -2.443 11.649 1.00 0.00 C ATOM 0 H LEU A 51 -21.047 -2.732 9.256 1.00 0.00 H new ATOM 0 HA LEU A 51 -22.238 -4.505 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -23.109 -2.973 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.682 -4.629 8.987 1.00 0.00 H new ATOM 0 HG LEU A 51 -25.245 -3.008 10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.603 -4.441 12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -25.251 -5.426 10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -23.986 -5.150 11.914 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.576 -2.176 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -22.959 -2.886 12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.492 -1.548 11.116 1.00 0.00 H new ATOM 844 N GLN A 52 -20.330 -5.966 10.163 1.00 0.00 N ATOM 845 CA GLN A 52 -19.712 -7.186 9.567 1.00 0.00 C ATOM 846 C GLN A 52 -19.273 -8.152 10.672 1.00 0.00 C ATOM 847 O GLN A 52 -18.378 -7.797 11.421 1.00 0.00 O ATOM 848 CB GLN A 52 -18.499 -6.673 8.789 1.00 0.00 C ATOM 849 CG GLN A 52 -17.853 -7.835 8.031 1.00 0.00 C ATOM 850 CD GLN A 52 -16.476 -8.132 8.629 1.00 0.00 C ATOM 851 OE1 GLN A 52 -16.240 -9.211 9.135 1.00 0.00 O ATOM 852 NE2 GLN A 52 -15.551 -7.212 8.593 1.00 0.00 N ATOM 853 OXT GLN A 52 -19.840 -9.229 10.748 1.00 0.00 O ATOM 0 H GLN A 52 -19.803 -5.540 10.925 1.00 0.00 H new ATOM 0 HA GLN A 52 -20.406 -7.731 8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.804 -5.894 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.778 -6.224 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.486 -8.720 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.756 -7.585 6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.749 -6.306 8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.630 -7.399 8.990 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.264 -5.793 -11.757 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -26.975 3.462 -10.321 1.00 0.00 ZN