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= -8.68! C(o=-7.8!,f=-8.1!) USER MOD Set 1.2: A 42 THR OG1 : rot 71:sc= 0.84 USER MOD Single : A 1 SER N :NH3+ -173:sc=-0.00431 (180deg=-0.0683) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.334 USER MOD Single : A 6 THR OG1 : rot -152:sc= -5.92! USER MOD Single : A 9 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.7!) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0778) USER MOD Single : A 21 THR OG1 : rot 121:sc= -0.732! 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+ 143:sc= 1.27 (180deg=0.0126) 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+ 179:sc= 0 (180deg=-0.000445) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -31.421 21.014 -13.170 1.00 0.00 N ATOM 2 CA SER A 1 -31.190 22.246 -13.979 1.00 0.00 C ATOM 3 C SER A 1 -29.813 22.835 -13.661 1.00 0.00 C ATOM 4 O SER A 1 -29.120 23.324 -14.531 1.00 0.00 O ATOM 5 CB SER A 1 -32.298 23.211 -13.558 1.00 0.00 C ATOM 6 OG SER A 1 -31.900 24.542 -13.858 1.00 0.00 O ATOM 0 H1 SER A 1 -32.303 20.557 -13.478 1.00 0.00 H new ATOM 0 H2 SER A 1 -30.626 20.357 -13.303 1.00 0.00 H new ATOM 0 H3 SER A 1 -31.495 21.268 -12.164 1.00 0.00 H new ATOM 0 HA SER A 1 -31.210 22.047 -15.051 1.00 0.00 H new ATOM 0 HB2 SER A 1 -33.224 22.970 -14.080 1.00 0.00 H new ATOM 0 HB3 SER A 1 -32.498 23.111 -12.491 1.00 0.00 H new ATOM 0 HG SER A 1 -32.609 25.164 -13.591 1.00 0.00 H new ATOM 14 N ILE A 2 -29.409 22.789 -12.420 1.00 0.00 N ATOM 15 CA ILE A 2 -28.076 23.344 -12.049 1.00 0.00 C ATOM 16 C ILE A 2 -27.343 22.376 -11.114 1.00 0.00 C ATOM 17 O ILE A 2 -27.529 22.394 -9.914 1.00 0.00 O ATOM 18 CB ILE A 2 -28.382 24.663 -11.335 1.00 0.00 C ATOM 19 CG1 ILE A 2 -27.074 25.388 -11.017 1.00 0.00 C ATOM 20 CG2 ILE A 2 -29.137 24.383 -10.034 1.00 0.00 C ATOM 21 CD1 ILE A 2 -27.385 26.764 -10.426 1.00 0.00 C ATOM 0 H ILE A 2 -29.944 22.391 -11.648 1.00 0.00 H new ATOM 0 HA ILE A 2 -27.432 23.493 -12.915 1.00 0.00 H new ATOM 0 HB ILE A 2 -28.997 25.287 -11.983 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.483 24.803 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.476 25.496 -11.922 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -29.353 25.324 -9.529 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -30.072 23.869 -10.259 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -28.525 23.756 -9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -26.453 27.282 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -27.958 27.348 -11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -27.966 26.644 -9.511 1.00 0.00 H new ATOM 33 N SER A 3 -26.512 21.528 -11.656 1.00 0.00 N ATOM 34 CA SER A 3 -25.773 20.558 -10.796 1.00 0.00 C ATOM 35 C SER A 3 -24.427 20.197 -11.431 1.00 0.00 C ATOM 36 O SER A 3 -24.366 19.835 -12.590 1.00 0.00 O ATOM 37 CB SER A 3 -26.675 19.326 -10.729 1.00 0.00 C ATOM 38 OG SER A 3 -27.020 18.926 -12.049 1.00 0.00 O ATOM 0 H SER A 3 -26.313 21.464 -12.654 1.00 0.00 H new ATOM 0 HA SER A 3 -25.558 20.966 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.164 18.514 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.575 19.551 -10.157 1.00 0.00 H new ATOM 0 HG SER A 3 -26.249 19.051 -12.641 1.00 0.00 H new ATOM 44 N PRO A 4 -23.389 20.300 -10.644 1.00 0.00 N ATOM 45 CA PRO A 4 -22.027 19.972 -11.134 1.00 0.00 C ATOM 46 C PRO A 4 -21.876 18.457 -11.295 1.00 0.00 C ATOM 47 O PRO A 4 -22.824 17.710 -11.141 1.00 0.00 O ATOM 48 CB PRO A 4 -21.113 20.495 -10.029 1.00 0.00 C ATOM 49 CG PRO A 4 -21.959 20.500 -8.797 1.00 0.00 C ATOM 50 CD PRO A 4 -23.382 20.729 -9.240 1.00 0.00 C ATOM 0 HA PRO A 4 -21.801 20.409 -12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.239 19.856 -9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.747 21.495 -10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.869 19.554 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.638 21.284 -8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -24.085 20.149 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.667 21.776 -9.141 1.00 0.00 H new ATOM 58 N ARG A 5 -20.697 17.997 -11.605 1.00 0.00 N ATOM 59 CA ARG A 5 -20.493 16.530 -11.777 1.00 0.00 C ATOM 60 C ARG A 5 -19.401 16.030 -10.828 1.00 0.00 C ATOM 61 O ARG A 5 -18.428 16.710 -10.574 1.00 0.00 O ATOM 62 CB ARG A 5 -20.055 16.356 -13.231 1.00 0.00 C ATOM 63 CG ARG A 5 -20.054 14.869 -13.591 1.00 0.00 C ATOM 64 CD ARG A 5 -21.026 14.622 -14.747 1.00 0.00 C ATOM 65 NE ARG A 5 -20.189 14.053 -15.840 1.00 0.00 N ATOM 66 CZ ARG A 5 -20.694 13.888 -17.031 1.00 0.00 C ATOM 67 NH1 ARG A 5 -21.734 13.115 -17.197 1.00 0.00 N ATOM 68 NH2 ARG A 5 -20.162 14.495 -18.056 1.00 0.00 N ATOM 0 H ARG A 5 -19.866 18.571 -11.747 1.00 0.00 H new ATOM 0 HA ARG A 5 -21.395 15.962 -11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.729 16.900 -13.892 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.060 16.776 -13.375 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -19.050 14.553 -13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -20.344 14.274 -12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -21.818 13.932 -14.456 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -21.509 15.547 -15.061 1.00 0.00 H new ATOM 0 HE ARG A 5 -19.220 13.792 -15.657 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -22.150 12.641 -16.395 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.130 12.985 -18.128 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.350 15.099 -17.926 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.558 14.365 -18.987 1.00 0.00 H new ATOM 82 N THR A 6 -19.551 14.842 -10.308 1.00 0.00 N ATOM 83 CA THR A 6 -18.519 14.295 -9.384 1.00 0.00 C ATOM 84 C THR A 6 -17.790 13.125 -10.058 1.00 0.00 C ATOM 85 O THR A 6 -18.265 12.581 -11.035 1.00 0.00 O ATOM 86 CB THR A 6 -19.296 13.824 -8.153 1.00 0.00 C ATOM 87 OG1 THR A 6 -20.065 12.678 -8.489 1.00 0.00 O ATOM 88 CG2 THR A 6 -20.225 14.940 -7.671 1.00 0.00 C ATOM 0 H THR A 6 -20.345 14.226 -10.484 1.00 0.00 H new ATOM 0 HA THR A 6 -17.760 15.030 -9.117 1.00 0.00 H new ATOM 0 HB THR A 6 -18.594 13.572 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 6 -20.857 12.635 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 6 -20.777 14.601 -6.794 1.00 0.00 H new ATOM 0 HG22 THR A 6 -19.634 15.818 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 6 -20.927 15.197 -8.464 1.00 0.00 H new ATOM 96 N PRO A 7 -16.648 12.787 -9.519 1.00 0.00 N ATOM 97 CA PRO A 7 -15.835 11.681 -10.084 1.00 0.00 C ATOM 98 C PRO A 7 -16.408 10.277 -9.781 1.00 0.00 C ATOM 99 O PRO A 7 -16.188 9.368 -10.555 1.00 0.00 O ATOM 100 CB PRO A 7 -14.470 11.872 -9.428 1.00 0.00 C ATOM 101 CG PRO A 7 -14.732 12.620 -8.158 1.00 0.00 C ATOM 102 CD PRO A 7 -16.012 13.400 -8.346 1.00 0.00 C ATOM 0 HA PRO A 7 -15.809 11.722 -11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.995 10.912 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.797 12.430 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.823 11.930 -7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.904 13.291 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.652 13.331 -7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.811 14.458 -8.511 1.00 0.00 H new ATOM 110 N PRO A 8 -17.109 10.113 -8.678 1.00 0.00 N ATOM 111 CA PRO A 8 -17.663 8.774 -8.348 1.00 0.00 C ATOM 112 C PRO A 8 -18.856 8.425 -9.249 1.00 0.00 C ATOM 113 O PRO A 8 -19.144 9.103 -10.215 1.00 0.00 O ATOM 114 CB PRO A 8 -18.098 8.909 -6.893 1.00 0.00 C ATOM 115 CG PRO A 8 -18.341 10.367 -6.690 1.00 0.00 C ATOM 116 CD PRO A 8 -17.454 11.110 -7.655 1.00 0.00 C ATOM 0 HA PRO A 8 -16.939 7.974 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.999 8.329 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.327 8.540 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.389 10.610 -6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.116 10.654 -5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.971 11.965 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.563 11.495 -7.159 1.00 0.00 H new ATOM 124 N ASN A 9 -19.540 7.356 -8.932 1.00 0.00 N ATOM 125 CA ASN A 9 -20.714 6.917 -9.747 1.00 0.00 C ATOM 126 C ASN A 9 -21.435 5.787 -9.021 1.00 0.00 C ATOM 127 O ASN A 9 -20.901 5.175 -8.118 1.00 0.00 O ATOM 128 CB ASN A 9 -20.120 6.415 -11.063 1.00 0.00 C ATOM 129 CG ASN A 9 -19.369 5.107 -10.815 1.00 0.00 C ATOM 130 OD1 ASN A 9 -18.419 5.072 -10.058 1.00 0.00 O ATOM 131 ND2 ASN A 9 -19.758 4.020 -11.425 1.00 0.00 N ATOM 0 H ASN A 9 -19.332 6.760 -8.131 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.436 7.717 -9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.912 6.259 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.444 7.162 -11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.265 3.142 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.555 4.049 -12.060 1.00 0.00 H new ATOM 138 N CYS A 10 -22.643 5.509 -9.403 1.00 0.00 N ATOM 139 CA CYS A 10 -23.401 4.421 -8.731 1.00 0.00 C ATOM 140 C CYS A 10 -22.853 3.059 -9.162 1.00 0.00 C ATOM 141 O CYS A 10 -22.693 2.789 -10.339 1.00 0.00 O ATOM 142 CB CYS A 10 -24.830 4.587 -9.222 1.00 0.00 C ATOM 143 SG CYS A 10 -25.840 3.248 -8.571 1.00 0.00 S ATOM 0 H CYS A 10 -23.142 5.988 -10.153 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.327 4.471 -7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.228 5.549 -8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.856 4.581 -10.312 1.00 0.00 H new ATOM 148 N ALA A 11 -22.562 2.191 -8.232 1.00 0.00 N ATOM 149 CA ALA A 11 -22.023 0.865 -8.634 1.00 0.00 C ATOM 150 C ALA A 11 -23.157 -0.083 -9.013 1.00 0.00 C ATOM 151 O ALA A 11 -22.973 -1.039 -9.738 1.00 0.00 O ATOM 152 CB ALA A 11 -21.258 0.328 -7.429 1.00 0.00 C ATOM 0 H ALA A 11 -22.672 2.340 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.375 0.953 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.839 -0.649 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.452 1.016 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -21.936 0.233 -6.581 1.00 0.00 H new ATOM 158 N ARG A 12 -24.327 0.177 -8.548 1.00 0.00 N ATOM 159 CA ARG A 12 -25.470 -0.696 -8.899 1.00 0.00 C ATOM 160 C ARG A 12 -25.647 -0.723 -10.406 1.00 0.00 C ATOM 161 O ARG A 12 -25.794 -1.763 -11.014 1.00 0.00 O ATOM 162 CB ARG A 12 -26.652 -0.004 -8.242 1.00 0.00 C ATOM 163 CG ARG A 12 -27.883 -0.882 -8.358 1.00 0.00 C ATOM 164 CD ARG A 12 -28.496 -1.090 -6.970 1.00 0.00 C ATOM 165 NE ARG A 12 -29.064 -2.466 -6.998 1.00 0.00 N ATOM 166 CZ ARG A 12 -29.544 -2.996 -5.905 1.00 0.00 C ATOM 167 NH1 ARG A 12 -29.600 -2.294 -4.805 1.00 0.00 N ATOM 168 NH2 ARG A 12 -29.968 -4.230 -5.911 1.00 0.00 N ATOM 0 H ARG A 12 -24.550 0.961 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.347 -1.729 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.433 0.196 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.834 0.959 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.612 -0.419 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.617 -1.843 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -27.743 -0.990 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.269 -0.349 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 12 -29.078 -2.994 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -29.268 -1.329 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -29.975 -2.710 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -29.924 -4.780 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -30.343 -4.645 -5.058 1.00 0.00 H new ATOM 182 N CYS A 13 -25.658 0.421 -11.001 1.00 0.00 N ATOM 183 CA CYS A 13 -25.854 0.480 -12.474 1.00 0.00 C ATOM 184 C CYS A 13 -24.537 0.258 -13.260 1.00 0.00 C ATOM 185 O CYS A 13 -24.578 -0.124 -14.415 1.00 0.00 O ATOM 186 CB CYS A 13 -26.468 1.863 -12.730 1.00 0.00 C ATOM 187 SG CYS A 13 -25.404 3.133 -12.096 1.00 0.00 S ATOM 0 H CYS A 13 -25.540 1.323 -10.539 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.503 -0.321 -12.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.622 2.008 -13.799 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.447 1.928 -12.255 1.00 0.00 H new ATOM 192 N ARG A 14 -23.363 0.443 -12.684 1.00 0.00 N ATOM 193 CA ARG A 14 -22.140 0.171 -13.521 1.00 0.00 C ATOM 194 C ARG A 14 -22.069 -1.316 -13.844 1.00 0.00 C ATOM 195 O ARG A 14 -21.462 -1.735 -14.809 1.00 0.00 O ATOM 196 CB ARG A 14 -20.906 0.569 -12.702 1.00 0.00 C ATOM 197 CG ARG A 14 -20.958 -0.062 -11.311 1.00 0.00 C ATOM 198 CD ARG A 14 -20.792 -1.584 -11.360 1.00 0.00 C ATOM 199 NE ARG A 14 -19.695 -1.884 -10.399 1.00 0.00 N ATOM 200 CZ ARG A 14 -18.475 -1.501 -10.659 1.00 0.00 C ATOM 201 NH1 ARG A 14 -18.160 -1.097 -11.859 1.00 0.00 N ATOM 202 NH2 ARG A 14 -17.570 -1.525 -9.720 1.00 0.00 N ATOM 0 H ARG A 14 -23.202 0.753 -11.726 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.182 0.739 -14.450 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.001 0.249 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.856 1.654 -12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.173 0.368 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -21.909 0.183 -10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.714 -2.091 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.539 -1.921 -12.365 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.897 -2.389 -9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.867 -1.081 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.206 -0.798 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.816 -1.843 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.616 -1.226 -9.923 1.00 0.00 H new ATOM 216 N ASN A 15 -22.664 -2.113 -13.009 1.00 0.00 N ATOM 217 CA ASN A 15 -22.625 -3.580 -13.203 1.00 0.00 C ATOM 218 C ASN A 15 -22.974 -3.917 -14.637 1.00 0.00 C ATOM 219 O ASN A 15 -22.482 -4.862 -15.222 1.00 0.00 O ATOM 220 CB ASN A 15 -23.701 -4.090 -12.259 1.00 0.00 C ATOM 221 CG ASN A 15 -23.182 -3.985 -10.837 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.159 -4.548 -10.501 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.852 -3.271 -9.988 1.00 0.00 N ATOM 0 H ASN A 15 -23.184 -1.803 -12.188 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.647 -4.019 -13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.614 -3.505 -12.373 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.953 -5.124 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.522 -3.178 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.710 -2.802 -10.280 1.00 0.00 H new ATOM 230 N HIS A 16 -23.850 -3.149 -15.187 1.00 0.00 N ATOM 231 CA HIS A 16 -24.299 -3.384 -16.575 1.00 0.00 C ATOM 232 C HIS A 16 -23.609 -2.422 -17.547 1.00 0.00 C ATOM 233 O HIS A 16 -23.681 -2.586 -18.748 1.00 0.00 O ATOM 234 CB HIS A 16 -25.793 -3.136 -16.480 1.00 0.00 C ATOM 235 CG HIS A 16 -26.348 -4.092 -15.482 1.00 0.00 C ATOM 236 ND1 HIS A 16 -26.986 -5.271 -15.851 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.347 -4.072 -14.120 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.336 -5.904 -14.720 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.971 -5.210 -13.646 1.00 0.00 N ATOM 0 H HIS A 16 -24.285 -2.350 -14.726 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.059 -4.376 -16.958 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -25.992 -2.108 -16.176 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.267 -3.279 -17.451 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.156 -5.595 -16.803 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.925 -3.290 -13.507 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.848 -6.854 -14.687 1.00 0.00 H new ATOM 247 N GLY A 17 -22.932 -1.429 -17.041 1.00 0.00 N ATOM 248 CA GLY A 17 -22.232 -0.474 -17.949 1.00 0.00 C ATOM 249 C GLY A 17 -22.873 0.902 -17.825 1.00 0.00 C ATOM 250 O GLY A 17 -22.957 1.652 -18.777 1.00 0.00 O ATOM 0 H GLY A 17 -22.833 -1.237 -16.044 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.174 -0.419 -17.692 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.292 -0.824 -18.980 1.00 0.00 H new ATOM 254 N LEU A 18 -23.333 1.235 -16.656 1.00 0.00 N ATOM 255 CA LEU A 18 -23.981 2.559 -16.459 1.00 0.00 C ATOM 256 C LEU A 18 -23.040 3.501 -15.689 1.00 0.00 C ATOM 257 O LEU A 18 -22.185 3.067 -14.943 1.00 0.00 O ATOM 258 CB LEU A 18 -25.233 2.241 -15.642 1.00 0.00 C ATOM 259 CG LEU A 18 -26.412 3.057 -16.165 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.099 4.538 -16.015 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.646 2.732 -17.641 1.00 0.00 C ATOM 0 H LEU A 18 -23.289 0.646 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.218 3.063 -17.396 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.459 1.177 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.060 2.468 -14.590 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.309 2.811 -15.596 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -26.938 5.127 -16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.931 4.770 -14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.204 4.780 -16.587 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.488 3.315 -18.013 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.752 2.979 -18.214 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.865 1.670 -17.749 1.00 0.00 H new ATOM 273 N LYS A 19 -23.200 4.787 -15.866 1.00 0.00 N ATOM 274 CA LYS A 19 -22.334 5.772 -15.155 1.00 0.00 C ATOM 275 C LYS A 19 -23.138 7.051 -14.918 1.00 0.00 C ATOM 276 O LYS A 19 -23.196 7.931 -15.753 1.00 0.00 O ATOM 277 CB LYS A 19 -21.161 6.032 -16.100 1.00 0.00 C ATOM 278 CG LYS A 19 -20.253 4.802 -16.131 1.00 0.00 C ATOM 279 CD LYS A 19 -19.759 4.497 -14.717 1.00 0.00 C ATOM 280 CE LYS A 19 -18.245 4.270 -14.745 1.00 0.00 C ATOM 281 NZ LYS A 19 -18.068 2.933 -15.378 1.00 0.00 N ATOM 0 H LYS A 19 -23.902 5.200 -16.480 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.985 5.415 -14.186 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.529 6.252 -17.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.599 6.905 -15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.796 3.946 -16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.406 4.979 -16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.002 5.323 -14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.263 3.613 -14.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.740 5.048 -15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.824 4.290 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.452 2.345 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.994 2.471 -15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.634 3.048 -16.316 1.00 0.00 H new ATOM 295 N ILE A 20 -23.793 7.129 -13.799 1.00 0.00 N ATOM 296 CA ILE A 20 -24.648 8.321 -13.500 1.00 0.00 C ATOM 297 C ILE A 20 -23.980 9.247 -12.462 1.00 0.00 C ATOM 298 O ILE A 20 -24.505 10.297 -12.151 1.00 0.00 O ATOM 299 CB ILE A 20 -25.992 7.733 -12.980 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.145 7.928 -11.476 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.114 6.246 -13.338 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.581 6.731 -10.764 1.00 0.00 C ATOM 0 H ILE A 20 -23.777 6.417 -13.069 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.801 8.946 -14.379 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.797 8.278 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.626 8.833 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.196 8.057 -11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.061 5.858 -12.964 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.076 6.128 -14.421 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.291 5.694 -12.884 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.687 6.864 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.120 5.836 -11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.525 6.623 -11.014 1.00 0.00 H new ATOM 314 N THR A 21 -22.855 8.854 -11.910 1.00 0.00 N ATOM 315 CA THR A 21 -22.163 9.701 -10.866 1.00 0.00 C ATOM 316 C THR A 21 -22.844 9.536 -9.495 1.00 0.00 C ATOM 317 O THR A 21 -22.459 10.140 -8.514 1.00 0.00 O ATOM 318 CB THR A 21 -22.284 11.149 -11.343 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.163 11.197 -12.759 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.182 11.993 -10.703 1.00 0.00 C ATOM 0 H THR A 21 -22.379 7.980 -12.134 1.00 0.00 H new ATOM 0 HA THR A 21 -21.121 9.404 -10.747 1.00 0.00 H new ATOM 0 HB THR A 21 -23.257 11.546 -11.052 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.974 11.590 -13.143 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.269 13.025 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.282 11.960 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.208 11.597 -10.990 1.00 0.00 H new ATOM 328 N LEU A 22 -23.848 8.714 -9.438 1.00 0.00 N ATOM 329 CA LEU A 22 -24.594 8.461 -8.158 1.00 0.00 C ATOM 330 C LEU A 22 -24.952 9.772 -7.450 1.00 0.00 C ATOM 331 O LEU A 22 -25.144 9.804 -6.251 1.00 0.00 O ATOM 332 CB LEU A 22 -23.655 7.620 -7.295 1.00 0.00 C ATOM 333 CG LEU A 22 -24.291 7.389 -5.923 1.00 0.00 C ATOM 334 CD1 LEU A 22 -24.288 5.892 -5.604 1.00 0.00 C ATOM 335 CD2 LEU A 22 -23.488 8.137 -4.859 1.00 0.00 C ATOM 0 H LEU A 22 -24.199 8.189 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.539 7.951 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.456 6.665 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.696 8.126 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.317 7.756 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.741 5.727 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.859 5.357 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.262 5.524 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.940 7.974 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.462 7.768 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.489 9.203 -5.085 1.00 0.00 H new ATOM 347 N LYS A 23 -25.071 10.847 -8.175 1.00 0.00 N ATOM 348 CA LYS A 23 -25.450 12.133 -7.521 1.00 0.00 C ATOM 349 C LYS A 23 -26.962 12.134 -7.279 1.00 0.00 C ATOM 350 O LYS A 23 -27.740 12.215 -8.209 1.00 0.00 O ATOM 351 CB LYS A 23 -25.058 13.219 -8.524 1.00 0.00 C ATOM 352 CG LYS A 23 -24.664 14.494 -7.776 1.00 0.00 C ATOM 353 CD LYS A 23 -25.902 15.107 -7.118 1.00 0.00 C ATOM 354 CE LYS A 23 -25.616 16.562 -6.743 1.00 0.00 C ATOM 355 NZ LYS A 23 -24.862 16.486 -5.461 1.00 0.00 N ATOM 0 H LYS A 23 -24.924 10.894 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.960 12.288 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.227 12.876 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.891 13.423 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.913 14.266 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.215 15.208 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -26.751 15.057 -7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -26.173 14.538 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.032 17.062 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -26.540 17.129 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.629 17.447 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.445 16.011 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.985 15.947 -5.606 1.00 0.00 H new ATOM 369 N GLY A 24 -27.394 12.008 -6.049 1.00 0.00 N ATOM 370 CA GLY A 24 -28.866 11.964 -5.794 1.00 0.00 C ATOM 371 C GLY A 24 -29.459 10.963 -6.781 1.00 0.00 C ATOM 372 O GLY A 24 -30.377 11.256 -7.519 1.00 0.00 O ATOM 0 H GLY A 24 -26.801 11.935 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.071 11.661 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.311 12.950 -5.930 1.00 0.00 H new ATOM 376 N HIS A 25 -28.881 9.796 -6.828 1.00 0.00 N ATOM 377 CA HIS A 25 -29.329 8.757 -7.796 1.00 0.00 C ATOM 378 C HIS A 25 -30.046 7.601 -7.090 1.00 0.00 C ATOM 379 O HIS A 25 -31.217 7.688 -6.780 1.00 0.00 O ATOM 380 CB HIS A 25 -28.010 8.303 -8.410 1.00 0.00 C ATOM 381 CG HIS A 25 -28.197 7.126 -9.323 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.876 7.220 -10.527 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.673 5.861 -9.289 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.713 6.050 -11.168 1.00 0.00 C ATOM 385 NE2 HIS A 25 -27.998 5.193 -10.447 1.00 0.00 N ATOM 0 H HIS A 25 -28.106 9.514 -6.228 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.050 9.123 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.565 9.128 -8.967 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.311 8.040 -7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.402 8.027 -10.864 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.093 5.450 -8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.113 5.833 -12.147 1.00 0.00 H new ATOM 393 N LYS A 26 -29.360 6.515 -6.847 1.00 0.00 N ATOM 394 CA LYS A 26 -30.013 5.356 -6.178 1.00 0.00 C ATOM 395 C LYS A 26 -31.391 5.104 -6.797 1.00 0.00 C ATOM 396 O LYS A 26 -31.515 4.406 -7.783 1.00 0.00 O ATOM 397 CB LYS A 26 -30.142 5.762 -4.710 1.00 0.00 C ATOM 398 CG LYS A 26 -28.893 5.317 -3.946 1.00 0.00 C ATOM 399 CD LYS A 26 -28.718 6.188 -2.700 1.00 0.00 C ATOM 400 CE LYS A 26 -29.658 5.693 -1.599 1.00 0.00 C ATOM 401 NZ LYS A 26 -30.555 6.848 -1.316 1.00 0.00 N ATOM 0 H LYS A 26 -28.377 6.382 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.441 4.435 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.265 6.842 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -31.030 5.307 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.983 4.269 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.014 5.399 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.684 6.147 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -28.934 7.230 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -30.226 4.822 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.103 5.396 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -31.231 6.588 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -29.987 7.660 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -31.075 7.104 -2.180 1.00 0.00 H new ATOM 415 N ARG A 27 -32.426 5.670 -6.239 1.00 0.00 N ATOM 416 CA ARG A 27 -33.783 5.460 -6.817 1.00 0.00 C ATOM 417 C ARG A 27 -33.737 5.678 -8.332 1.00 0.00 C ATOM 418 O ARG A 27 -34.464 5.058 -9.083 1.00 0.00 O ATOM 419 CB ARG A 27 -34.667 6.514 -6.153 1.00 0.00 C ATOM 420 CG ARG A 27 -34.565 6.386 -4.632 1.00 0.00 C ATOM 421 CD ARG A 27 -35.963 6.472 -4.018 1.00 0.00 C ATOM 422 NE ARG A 27 -36.315 5.070 -3.666 1.00 0.00 N ATOM 423 CZ ARG A 27 -37.427 4.814 -3.032 1.00 0.00 C ATOM 424 NH1 ARG A 27 -38.524 5.436 -3.365 1.00 0.00 N ATOM 425 NH2 ARG A 27 -37.440 3.937 -2.065 1.00 0.00 N ATOM 0 H ARG A 27 -32.391 6.266 -5.412 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.158 4.451 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.358 7.511 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -35.702 6.387 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -34.097 5.438 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -33.931 7.177 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -35.968 7.114 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -36.679 6.894 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 27 -35.687 4.308 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -38.512 6.122 -4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -39.393 5.237 -2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -36.581 3.452 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -38.309 3.737 -1.570 1.00 0.00 H new ATOM 439 N TYR A 28 -32.882 6.556 -8.784 1.00 0.00 N ATOM 440 CA TYR A 28 -32.777 6.820 -10.250 1.00 0.00 C ATOM 441 C TYR A 28 -31.916 5.750 -10.916 1.00 0.00 C ATOM 442 O TYR A 28 -31.579 5.843 -12.081 1.00 0.00 O ATOM 443 CB TYR A 28 -32.093 8.181 -10.354 1.00 0.00 C ATOM 444 CG TYR A 28 -32.960 9.228 -9.697 1.00 0.00 C ATOM 445 CD1 TYR A 28 -34.110 9.693 -10.347 1.00 0.00 C ATOM 446 CD2 TYR A 28 -32.614 9.735 -8.440 1.00 0.00 C ATOM 447 CE1 TYR A 28 -34.913 10.663 -9.739 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.418 10.706 -7.831 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.568 11.171 -8.481 1.00 0.00 C ATOM 450 OH TYR A 28 -35.361 12.128 -7.882 1.00 0.00 O ATOM 0 H TYR A 28 -32.250 7.104 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.749 6.806 -10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.116 8.147 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.924 8.437 -11.400 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.377 9.302 -11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.726 9.377 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -35.800 11.021 -10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.151 11.096 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 28 -34.980 12.371 -7.012 1.00 0.00 H new ATOM 460 N CYS A 29 -31.546 4.739 -10.183 1.00 0.00 N ATOM 461 CA CYS A 29 -30.693 3.670 -10.769 1.00 0.00 C ATOM 462 C CYS A 29 -31.538 2.633 -11.498 1.00 0.00 C ATOM 463 O CYS A 29 -32.286 1.899 -10.890 1.00 0.00 O ATOM 464 CB CYS A 29 -30.005 3.003 -9.578 1.00 0.00 C ATOM 465 SG CYS A 29 -28.715 1.890 -10.185 1.00 0.00 S ATOM 0 H CYS A 29 -31.797 4.607 -9.203 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.989 4.084 -11.491 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.572 3.759 -8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.733 2.448 -8.986 1.00 0.00 H new ATOM 470 N LYS A 30 -31.396 2.519 -12.786 1.00 0.00 N ATOM 471 CA LYS A 30 -32.172 1.466 -13.493 1.00 0.00 C ATOM 472 C LYS A 30 -31.885 0.134 -12.791 1.00 0.00 C ATOM 473 O LYS A 30 -32.646 -0.811 -12.864 1.00 0.00 O ATOM 474 CB LYS A 30 -31.640 1.458 -14.927 1.00 0.00 C ATOM 475 CG LYS A 30 -32.517 0.551 -15.792 1.00 0.00 C ATOM 476 CD LYS A 30 -31.794 -0.774 -16.039 1.00 0.00 C ATOM 477 CE LYS A 30 -32.818 -1.868 -16.353 1.00 0.00 C ATOM 478 NZ LYS A 30 -33.256 -2.381 -15.025 1.00 0.00 N ATOM 0 H LYS A 30 -30.790 3.095 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.249 1.635 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.637 2.471 -15.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.609 1.106 -14.942 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.471 0.370 -15.297 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.738 1.039 -16.741 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.094 -0.669 -16.868 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -31.210 -1.050 -15.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -33.660 -1.469 -16.919 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -32.376 -2.661 -16.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -34.271 -2.606 -15.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -32.718 -3.240 -14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -33.085 -1.656 -14.299 1.00 0.00 H new ATOM 492 N PHE A 31 -30.777 0.081 -12.097 1.00 0.00 N ATOM 493 CA PHE A 31 -30.372 -1.143 -11.349 1.00 0.00 C ATOM 494 C PHE A 31 -30.645 -0.931 -9.853 1.00 0.00 C ATOM 495 O PHE A 31 -30.213 -1.696 -9.016 1.00 0.00 O ATOM 496 CB PHE A 31 -28.864 -1.239 -11.645 1.00 0.00 C ATOM 497 CG PHE A 31 -28.694 -1.196 -13.139 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.609 0.036 -13.793 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.652 -2.384 -13.871 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.474 0.081 -15.183 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.522 -2.342 -15.261 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.432 -1.110 -15.920 1.00 0.00 C ATOM 0 H PHE A 31 -30.120 0.857 -12.017 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.907 -2.049 -11.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.327 -0.415 -11.174 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.451 -2.162 -11.238 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.648 0.953 -13.224 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.720 -3.335 -13.363 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.402 1.033 -15.689 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.491 -3.261 -15.828 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.330 -1.078 -16.995 1.00 0.00 H new ATOM 512 N ARG A 32 -31.358 0.119 -9.517 1.00 0.00 N ATOM 513 CA ARG A 32 -31.653 0.411 -8.083 1.00 0.00 C ATOM 514 C ARG A 32 -32.143 -0.845 -7.378 1.00 0.00 C ATOM 515 O ARG A 32 -31.928 -1.038 -6.197 1.00 0.00 O ATOM 516 CB ARG A 32 -32.748 1.492 -8.093 1.00 0.00 C ATOM 517 CG ARG A 32 -34.124 0.869 -8.372 1.00 0.00 C ATOM 518 CD ARG A 32 -34.253 0.539 -9.861 1.00 0.00 C ATOM 519 NE ARG A 32 -35.549 -0.182 -9.982 1.00 0.00 N ATOM 520 CZ ARG A 32 -36.600 0.438 -10.444 1.00 0.00 C ATOM 521 NH1 ARG A 32 -36.798 1.694 -10.148 1.00 0.00 N ATOM 522 NH2 ARG A 32 -37.451 -0.195 -11.204 1.00 0.00 N ATOM 0 H ARG A 32 -31.749 0.788 -10.181 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.765 0.749 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.765 2.008 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.521 2.240 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.251 -0.036 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -34.913 1.559 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -34.246 1.444 -10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.423 -0.080 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.616 -1.161 -9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -36.131 2.190 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -37.619 2.180 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -37.295 -1.176 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -38.272 0.291 -11.565 1.00 0.00 H new ATOM 536 N TYR A 33 -32.812 -1.691 -8.095 1.00 0.00 N ATOM 537 CA TYR A 33 -33.336 -2.937 -7.472 1.00 0.00 C ATOM 538 C TYR A 33 -32.838 -4.168 -8.230 1.00 0.00 C ATOM 539 O TYR A 33 -33.203 -5.285 -7.920 1.00 0.00 O ATOM 540 CB TYR A 33 -34.858 -2.816 -7.560 1.00 0.00 C ATOM 541 CG TYR A 33 -35.327 -1.735 -6.611 1.00 0.00 C ATOM 542 CD1 TYR A 33 -34.777 -1.647 -5.326 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.305 -0.818 -7.019 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.206 -0.645 -4.448 1.00 0.00 C ATOM 545 CE2 TYR A 33 -36.733 0.185 -6.139 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.183 0.272 -4.855 1.00 0.00 C ATOM 547 OH TYR A 33 -36.602 1.261 -3.988 1.00 0.00 O ATOM 0 H TYR A 33 -33.022 -1.578 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.000 -3.055 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.157 -2.576 -8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.326 -3.767 -7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.022 -2.352 -5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.728 -0.884 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -34.783 -0.579 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.488 0.891 -6.452 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.283 1.813 -4.426 1.00 0.00 H new ATOM 557 N CYS A 34 -31.995 -3.982 -9.208 1.00 0.00 N ATOM 558 CA CYS A 34 -31.475 -5.161 -9.952 1.00 0.00 C ATOM 559 C CYS A 34 -31.036 -6.225 -8.947 1.00 0.00 C ATOM 560 O CYS A 34 -30.956 -5.975 -7.760 1.00 0.00 O ATOM 561 CB CYS A 34 -30.267 -4.651 -10.738 1.00 0.00 C ATOM 562 SG CYS A 34 -29.619 -5.984 -11.769 1.00 0.00 S ATOM 0 H CYS A 34 -31.648 -3.075 -9.521 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.222 -5.602 -10.612 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.555 -3.803 -11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.496 -4.298 -10.053 1.00 0.00 H new ATOM 567 N THR A 35 -30.747 -7.407 -9.405 1.00 0.00 N ATOM 568 CA THR A 35 -30.312 -8.479 -8.468 1.00 0.00 C ATOM 569 C THR A 35 -29.203 -9.330 -9.092 1.00 0.00 C ATOM 570 O THR A 35 -28.746 -10.288 -8.500 1.00 0.00 O ATOM 571 CB THR A 35 -31.564 -9.323 -8.226 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.464 -9.153 -9.312 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.237 -8.880 -6.927 1.00 0.00 C ATOM 0 H THR A 35 -30.793 -7.679 -10.387 1.00 0.00 H new ATOM 0 HA THR A 35 -29.905 -8.071 -7.543 1.00 0.00 H new ATOM 0 HB THR A 35 -31.285 -10.374 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.266 -9.695 -9.160 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.129 -9.482 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.545 -9.012 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.517 -7.829 -7.002 1.00 0.00 H new ATOM 581 N CYS A 36 -28.754 -8.996 -10.276 1.00 0.00 N ATOM 582 CA CYS A 36 -27.669 -9.805 -10.896 1.00 0.00 C ATOM 583 C CYS A 36 -26.574 -10.050 -9.846 1.00 0.00 C ATOM 584 O CYS A 36 -26.587 -9.459 -8.784 1.00 0.00 O ATOM 585 CB CYS A 36 -27.151 -8.971 -12.068 1.00 0.00 C ATOM 586 SG CYS A 36 -26.201 -7.574 -11.447 1.00 0.00 S ATOM 0 H CYS A 36 -29.088 -8.208 -10.831 1.00 0.00 H new ATOM 0 HA CYS A 36 -28.007 -10.780 -11.246 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.528 -9.586 -12.717 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.987 -8.615 -12.671 1.00 0.00 H new ATOM 591 N GLU A 37 -25.644 -10.923 -10.111 1.00 0.00 N ATOM 592 CA GLU A 37 -24.578 -11.200 -9.097 1.00 0.00 C ATOM 593 C GLU A 37 -23.534 -10.079 -9.063 1.00 0.00 C ATOM 594 O GLU A 37 -22.594 -10.122 -8.293 1.00 0.00 O ATOM 595 CB GLU A 37 -23.936 -12.513 -9.548 1.00 0.00 C ATOM 596 CG GLU A 37 -24.046 -13.551 -8.430 1.00 0.00 C ATOM 597 CD GLU A 37 -24.583 -14.863 -9.004 1.00 0.00 C ATOM 598 OE1 GLU A 37 -24.579 -15.002 -10.216 1.00 0.00 O ATOM 599 OE2 GLU A 37 -24.990 -15.706 -8.222 1.00 0.00 O ATOM 0 H GLU A 37 -25.572 -11.456 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.990 -11.262 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.429 -12.880 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -22.889 -12.348 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.070 -13.714 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -24.709 -13.187 -7.645 1.00 0.00 H new ATOM 606 N LYS A 38 -23.697 -9.068 -9.869 1.00 0.00 N ATOM 607 CA LYS A 38 -22.717 -7.941 -9.864 1.00 0.00 C ATOM 608 C LYS A 38 -23.317 -6.771 -9.098 1.00 0.00 C ATOM 609 O LYS A 38 -22.629 -5.874 -8.653 1.00 0.00 O ATOM 610 CB LYS A 38 -22.519 -7.576 -11.337 1.00 0.00 C ATOM 611 CG LYS A 38 -21.798 -8.717 -12.057 1.00 0.00 C ATOM 612 CD LYS A 38 -21.165 -8.189 -13.347 1.00 0.00 C ATOM 613 CE LYS A 38 -19.643 -8.324 -13.266 1.00 0.00 C ATOM 614 NZ LYS A 38 -19.367 -9.757 -13.563 1.00 0.00 N ATOM 0 H LYS A 38 -24.466 -8.971 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.771 -8.201 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.484 -7.388 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.939 -6.657 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.030 -9.142 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.501 -9.518 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.544 -8.746 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.440 -7.145 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.150 -7.670 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.274 -8.047 -12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.341 -9.924 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.829 -10.355 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.738 -9.994 -14.505 1.00 0.00 H new ATOM 628 N CYS A 39 -24.604 -6.799 -8.921 1.00 0.00 N ATOM 629 CA CYS A 39 -25.282 -5.726 -8.166 1.00 0.00 C ATOM 630 C CYS A 39 -25.292 -6.138 -6.700 1.00 0.00 C ATOM 631 O CYS A 39 -25.093 -5.335 -5.810 1.00 0.00 O ATOM 632 CB CYS A 39 -26.696 -5.687 -8.734 1.00 0.00 C ATOM 633 SG CYS A 39 -26.838 -4.336 -9.927 1.00 0.00 S ATOM 0 H CYS A 39 -25.220 -7.532 -9.274 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.804 -4.749 -8.245 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.931 -6.636 -9.216 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.418 -5.551 -7.929 1.00 0.00 H new ATOM 638 N ARG A 40 -25.484 -7.410 -6.452 1.00 0.00 N ATOM 639 CA ARG A 40 -25.463 -7.902 -5.052 1.00 0.00 C ATOM 640 C ARG A 40 -24.012 -7.928 -4.586 1.00 0.00 C ATOM 641 O ARG A 40 -23.693 -7.573 -3.469 1.00 0.00 O ATOM 642 CB ARG A 40 -26.050 -9.313 -5.109 1.00 0.00 C ATOM 643 CG ARG A 40 -27.566 -9.239 -4.925 1.00 0.00 C ATOM 644 CD ARG A 40 -28.214 -10.507 -5.487 1.00 0.00 C ATOM 645 NE ARG A 40 -28.811 -11.190 -4.306 1.00 0.00 N ATOM 646 CZ ARG A 40 -28.041 -11.615 -3.342 1.00 0.00 C ATOM 647 NH1 ARG A 40 -27.252 -12.636 -3.539 1.00 0.00 N ATOM 648 NH2 ARG A 40 -28.062 -11.019 -2.180 1.00 0.00 N ATOM 0 H ARG A 40 -25.654 -8.123 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.030 -7.279 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.811 -9.780 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.608 -9.935 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.809 -9.132 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.962 -8.360 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -28.974 -10.266 -6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.477 -11.142 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 40 -29.820 -11.325 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -27.237 -13.102 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -26.650 -12.968 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -28.680 -10.222 -2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -27.461 -11.350 -1.426 1.00 0.00 H new ATOM 662 N LEU A 41 -23.127 -8.316 -5.464 1.00 0.00 N ATOM 663 CA LEU A 41 -21.681 -8.334 -5.112 1.00 0.00 C ATOM 664 C LEU A 41 -21.234 -6.895 -4.854 1.00 0.00 C ATOM 665 O LEU A 41 -20.332 -6.632 -4.085 1.00 0.00 O ATOM 666 CB LEU A 41 -20.987 -8.931 -6.345 1.00 0.00 C ATOM 667 CG LEU A 41 -19.574 -8.358 -6.507 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.831 -8.404 -5.169 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.809 -9.189 -7.537 1.00 0.00 C ATOM 0 H LEU A 41 -23.345 -8.622 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.448 -8.913 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.935 -10.016 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.575 -8.718 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.644 -7.323 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.829 -7.995 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.374 -7.813 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.761 -9.437 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.803 -8.785 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.747 -10.223 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.330 -9.152 -8.494 1.00 0.00 H new ATOM 681 N THR A 42 -21.886 -5.966 -5.489 1.00 0.00 N ATOM 682 CA THR A 42 -21.542 -4.530 -5.293 1.00 0.00 C ATOM 683 C THR A 42 -21.995 -4.088 -3.908 1.00 0.00 C ATOM 684 O THR A 42 -21.197 -3.822 -3.032 1.00 0.00 O ATOM 685 CB THR A 42 -22.331 -3.796 -6.373 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.688 -3.969 -7.628 1.00 0.00 O ATOM 687 CG2 THR A 42 -22.405 -2.306 -6.035 1.00 0.00 C ATOM 0 H THR A 42 -22.650 -6.140 -6.142 1.00 0.00 H new ATOM 0 HA THR A 42 -20.472 -4.333 -5.365 1.00 0.00 H new ATOM 0 HB THR A 42 -23.341 -4.203 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.793 -4.897 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.969 -1.785 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.901 -2.175 -5.073 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.397 -1.894 -5.982 1.00 0.00 H new ATOM 695 N ALA A 43 -23.278 -4.024 -3.706 1.00 0.00 N ATOM 696 CA ALA A 43 -23.804 -3.620 -2.373 1.00 0.00 C ATOM 697 C ALA A 43 -23.003 -4.337 -1.290 1.00 0.00 C ATOM 698 O ALA A 43 -22.752 -3.810 -0.225 1.00 0.00 O ATOM 699 CB ALA A 43 -25.261 -4.084 -2.366 1.00 0.00 C ATOM 0 H ALA A 43 -23.988 -4.234 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.727 -2.549 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.722 -3.822 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.802 -3.596 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.299 -5.165 -2.503 1.00 0.00 H new ATOM 705 N ASP A 44 -22.586 -5.538 -1.577 1.00 0.00 N ATOM 706 CA ASP A 44 -21.779 -6.312 -0.598 1.00 0.00 C ATOM 707 C ASP A 44 -20.384 -5.695 -0.492 1.00 0.00 C ATOM 708 O ASP A 44 -19.802 -5.619 0.572 1.00 0.00 O ATOM 709 CB ASP A 44 -21.704 -7.717 -1.194 1.00 0.00 C ATOM 710 CG ASP A 44 -21.465 -8.736 -0.078 1.00 0.00 C ATOM 711 OD1 ASP A 44 -21.831 -8.447 1.049 1.00 0.00 O ATOM 712 OD2 ASP A 44 -20.921 -9.788 -0.371 1.00 0.00 O ATOM 0 H ASP A 44 -22.772 -6.020 -2.457 1.00 0.00 H new ATOM 0 HA ASP A 44 -22.207 -6.317 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.630 -7.950 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.899 -7.770 -1.927 1.00 0.00 H new ATOM 717 N ARG A 45 -19.852 -5.248 -1.596 1.00 0.00 N ATOM 718 CA ARG A 45 -18.501 -4.623 -1.583 1.00 0.00 C ATOM 719 C ARG A 45 -18.510 -3.368 -0.706 1.00 0.00 C ATOM 720 O ARG A 45 -17.768 -3.262 0.251 1.00 0.00 O ATOM 721 CB ARG A 45 -18.234 -4.253 -3.044 1.00 0.00 C ATOM 722 CG ARG A 45 -16.757 -4.471 -3.369 1.00 0.00 C ATOM 723 CD ARG A 45 -15.896 -3.704 -2.364 1.00 0.00 C ATOM 724 NE ARG A 45 -14.551 -4.336 -2.452 1.00 0.00 N ATOM 725 CZ ARG A 45 -13.989 -4.821 -1.379 1.00 0.00 C ATOM 726 NH1 ARG A 45 -14.553 -5.807 -0.737 1.00 0.00 N ATOM 727 NH2 ARG A 45 -12.864 -4.319 -0.949 1.00 0.00 N ATOM 0 H ARG A 45 -20.299 -5.290 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.737 -5.287 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.855 -4.861 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.505 -3.212 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.518 -5.534 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.542 -4.131 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.851 -2.643 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.303 -3.780 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.070 -4.390 -3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.433 -6.198 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.114 -6.187 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.424 -3.548 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.424 -4.698 -0.110 1.00 0.00 H new ATOM 741 N GLN A 46 -19.348 -2.418 -1.022 1.00 0.00 N ATOM 742 CA GLN A 46 -19.408 -1.172 -0.207 1.00 0.00 C ATOM 743 C GLN A 46 -20.756 -1.078 0.511 1.00 0.00 C ATOM 744 O GLN A 46 -21.487 -0.120 0.356 1.00 0.00 O ATOM 745 CB GLN A 46 -19.258 -0.032 -1.213 1.00 0.00 C ATOM 746 CG GLN A 46 -17.792 0.398 -1.285 1.00 0.00 C ATOM 747 CD GLN A 46 -17.547 1.165 -2.585 1.00 0.00 C ATOM 748 OE1 GLN A 46 -16.949 0.645 -3.507 1.00 0.00 O ATOM 749 NE2 GLN A 46 -17.987 2.388 -2.701 1.00 0.00 N ATOM 0 H GLN A 46 -19.994 -2.452 -1.810 1.00 0.00 H new ATOM 0 HA GLN A 46 -18.634 -1.142 0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -19.602 -0.353 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -19.881 0.812 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.544 1.025 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -17.143 -0.477 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -18.489 2.825 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.829 2.907 -3.565 1.00 0.00 H new ATOM 758 N ARG A 47 -21.094 -2.067 1.291 1.00 0.00 N ATOM 759 CA ARG A 47 -22.397 -2.034 2.014 1.00 0.00 C ATOM 760 C ARG A 47 -22.483 -0.785 2.894 1.00 0.00 C ATOM 761 O ARG A 47 -21.487 -0.279 3.374 1.00 0.00 O ATOM 762 CB ARG A 47 -22.406 -3.297 2.875 1.00 0.00 C ATOM 763 CG ARG A 47 -21.237 -3.251 3.861 1.00 0.00 C ATOM 764 CD ARG A 47 -21.133 -4.590 4.592 1.00 0.00 C ATOM 765 NE ARG A 47 -20.966 -4.230 6.026 1.00 0.00 N ATOM 766 CZ ARG A 47 -19.890 -4.591 6.668 1.00 0.00 C ATOM 767 NH1 ARG A 47 -18.752 -4.003 6.417 1.00 0.00 N ATOM 768 NH2 ARG A 47 -19.952 -5.541 7.560 1.00 0.00 N ATOM 0 H ARG A 47 -20.525 -2.897 1.459 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.246 -2.000 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.349 -3.374 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -22.328 -4.181 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.308 -3.041 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -21.384 -2.444 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -22.026 -5.195 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.287 -5.173 4.230 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.693 -3.701 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.704 -3.261 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.910 -4.285 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.842 -6.001 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.111 -5.824 8.063 1.00 0.00 H new ATOM 782 N VAL A 48 -23.669 -0.283 3.110 1.00 0.00 N ATOM 783 CA VAL A 48 -23.825 0.932 3.960 1.00 0.00 C ATOM 784 C VAL A 48 -24.893 0.693 5.029 1.00 0.00 C ATOM 785 O VAL A 48 -25.567 -0.319 5.032 1.00 0.00 O ATOM 786 CB VAL A 48 -24.268 2.034 2.999 1.00 0.00 C ATOM 787 CG1 VAL A 48 -24.236 3.384 3.719 1.00 0.00 C ATOM 788 CG2 VAL A 48 -23.321 2.074 1.797 1.00 0.00 C ATOM 0 H VAL A 48 -24.538 -0.663 2.734 1.00 0.00 H new ATOM 0 HA VAL A 48 -22.904 1.192 4.482 1.00 0.00 H new ATOM 0 HB VAL A 48 -25.282 1.830 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -24.552 4.170 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -24.911 3.356 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -23.222 3.589 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -23.637 2.860 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -22.306 2.277 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -23.345 1.113 1.283 1.00 0.00 H new ATOM 798 N MET A 49 -25.056 1.617 5.935 1.00 0.00 N ATOM 799 CA MET A 49 -26.083 1.441 7.002 1.00 0.00 C ATOM 800 C MET A 49 -27.302 2.322 6.714 1.00 0.00 C ATOM 801 O MET A 49 -28.068 2.647 7.599 1.00 0.00 O ATOM 802 CB MET A 49 -25.392 1.884 8.291 1.00 0.00 C ATOM 803 CG MET A 49 -24.666 0.691 8.916 1.00 0.00 C ATOM 804 SD MET A 49 -23.421 0.068 7.760 1.00 0.00 S ATOM 805 CE MET A 49 -22.022 0.077 8.908 1.00 0.00 C ATOM 0 H MET A 49 -24.524 2.486 5.983 1.00 0.00 H new ATOM 0 HA MET A 49 -26.443 0.414 7.065 1.00 0.00 H new ATOM 0 HB2 MET A 49 -24.683 2.685 8.080 1.00 0.00 H new ATOM 0 HB3 MET A 49 -26.126 2.284 8.991 1.00 0.00 H new ATOM 0 HG2 MET A 49 -24.192 0.989 9.851 1.00 0.00 H new ATOM 0 HG3 MET A 49 -25.380 -0.097 9.158 1.00 0.00 H new ATOM 0 HE1 MET A 49 -21.128 -0.278 8.395 1.00 0.00 H new ATOM 0 HE2 MET A 49 -21.854 1.092 9.269 1.00 0.00 H new ATOM 0 HE3 MET A 49 -22.240 -0.577 9.752 1.00 0.00 H new ATOM 815 N ALA A 50 -27.485 2.710 5.482 1.00 0.00 N ATOM 816 CA ALA A 50 -28.654 3.570 5.137 1.00 0.00 C ATOM 817 C ALA A 50 -29.589 2.832 4.176 1.00 0.00 C ATOM 818 O ALA A 50 -29.502 2.979 2.973 1.00 0.00 O ATOM 819 CB ALA A 50 -28.053 4.802 4.461 1.00 0.00 C ATOM 0 H ALA A 50 -26.877 2.469 4.699 1.00 0.00 H new ATOM 0 HA ALA A 50 -29.245 3.834 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -28.852 5.487 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -27.376 5.303 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -27.502 4.497 3.571 1.00 0.00 H new ATOM 825 N LEU A 51 -30.485 2.039 4.698 1.00 0.00 N ATOM 826 CA LEU A 51 -31.425 1.292 3.816 1.00 0.00 C ATOM 827 C LEU A 51 -32.852 1.817 4.002 1.00 0.00 C ATOM 828 O LEU A 51 -33.237 2.226 5.078 1.00 0.00 O ATOM 829 CB LEU A 51 -31.324 -0.164 4.271 1.00 0.00 C ATOM 830 CG LEU A 51 -31.792 -0.281 5.721 1.00 0.00 C ATOM 831 CD1 LEU A 51 -33.034 -1.171 5.786 1.00 0.00 C ATOM 832 CD2 LEU A 51 -30.678 -0.900 6.568 1.00 0.00 C ATOM 0 H LEU A 51 -30.606 1.876 5.698 1.00 0.00 H new ATOM 0 HA LEU A 51 -31.180 1.405 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -31.934 -0.799 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.295 -0.513 4.181 1.00 0.00 H new ATOM 0 HG LEU A 51 -32.034 0.710 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -33.368 -1.255 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -33.828 -0.732 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -32.792 -2.162 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -31.011 -0.984 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.436 -1.891 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -29.792 -0.267 6.522 1.00 0.00 H new ATOM 844 N GLN A 52 -33.637 1.812 2.960 1.00 0.00 N ATOM 845 CA GLN A 52 -35.036 2.312 3.081 1.00 0.00 C ATOM 846 C GLN A 52 -36.020 1.276 2.531 1.00 0.00 C ATOM 847 O GLN A 52 -37.165 1.634 2.308 1.00 0.00 O ATOM 848 CB GLN A 52 -35.073 3.588 2.238 1.00 0.00 C ATOM 849 CG GLN A 52 -34.716 4.788 3.117 1.00 0.00 C ATOM 850 CD GLN A 52 -33.380 5.378 2.660 1.00 0.00 C ATOM 851 OE1 GLN A 52 -33.285 5.937 1.585 1.00 0.00 O ATOM 852 NE2 GLN A 52 -32.337 5.277 3.438 1.00 0.00 N ATOM 853 OXT GLN A 52 -35.612 0.141 2.344 1.00 0.00 O ATOM 0 H GLN A 52 -33.371 1.484 2.032 1.00 0.00 H new ATOM 0 HA GLN A 52 -35.320 2.498 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -34.371 3.509 1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -36.064 3.722 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -35.499 5.543 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -34.652 4.481 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -32.417 4.808 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -31.442 5.667 3.144 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.371 -5.650 -11.700 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -27.012 3.369 -10.449 1.00 0.00 ZN