USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 SER OG : rot -85:sc= 0.745 USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.146 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0617 (180deg=-0.516) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0991) USER MOD Single : A 10 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.42) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.172) USER MOD Single : A 18 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 135:sc= -0.161 (180deg=-0.98) USER MOD Single : A 26 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.7!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0579 (180deg=-0.464) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.076 (180deg=-0.488) USER MOD Single : A 48 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.5!) USER MOD Single : A 50 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.969 19.085 -46.891 1.00 0.00 N ATOM 2 CA GLY A 1 -31.553 19.144 -46.428 1.00 0.00 C ATOM 3 C GLY A 1 -30.705 19.856 -47.474 1.00 0.00 C ATOM 4 O GLY A 1 -31.228 20.406 -48.443 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.587 19.519 -46.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.063 19.602 -47.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.247 18.093 -47.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.492 19.671 -45.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.172 18.137 -46.260 1.00 0.00 H new ATOM 10 N SER A 2 -29.391 19.844 -47.272 1.00 0.00 N ATOM 11 CA SER A 2 -28.478 20.493 -48.205 1.00 0.00 C ATOM 12 C SER A 2 -28.403 19.713 -49.513 1.00 0.00 C ATOM 13 O SER A 2 -28.770 18.540 -49.570 1.00 0.00 O ATOM 14 CB SER A 2 -27.083 20.591 -47.587 1.00 0.00 C ATOM 15 OG SER A 2 -26.521 19.290 -47.486 1.00 0.00 O ATOM 0 H SER A 2 -28.938 19.395 -46.476 1.00 0.00 H new ATOM 0 HA SER A 2 -28.854 21.494 -48.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.445 21.228 -48.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.141 21.052 -46.601 1.00 0.00 H new ATOM 0 HG SER A 2 -26.824 18.866 -46.656 1.00 0.00 H new ATOM 21 N LYS A 3 -27.927 20.375 -50.563 1.00 0.00 N ATOM 22 CA LYS A 3 -27.809 19.736 -51.868 1.00 0.00 C ATOM 23 C LYS A 3 -26.845 18.556 -51.807 1.00 0.00 C ATOM 24 O LYS A 3 -27.082 17.516 -52.420 1.00 0.00 O ATOM 25 CB LYS A 3 -27.312 20.747 -52.903 1.00 0.00 C ATOM 26 CG LYS A 3 -28.407 21.780 -53.179 1.00 0.00 C ATOM 27 CD LYS A 3 -27.907 22.788 -54.215 1.00 0.00 C ATOM 28 CE LYS A 3 -29.023 23.785 -54.538 1.00 0.00 C ATOM 29 NZ LYS A 3 -29.374 24.551 -53.311 1.00 0.00 N1+ ATOM 0 H LYS A 3 -27.619 21.347 -50.536 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.794 19.370 -52.159 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.413 21.244 -52.538 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.041 20.234 -53.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.307 21.284 -53.543 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.678 22.294 -52.257 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.033 23.315 -53.832 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.595 22.269 -55.121 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.700 24.466 -55.325 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.900 23.257 -54.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.892 25.413 -53.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.972 23.964 -52.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.504 24.812 -52.804 1.00 0.00 H new ATOM 43 N THR A 4 -25.755 18.724 -51.062 1.00 0.00 N ATOM 44 CA THR A 4 -24.761 17.666 -50.927 1.00 0.00 C ATOM 45 C THR A 4 -25.210 16.629 -49.902 1.00 0.00 C ATOM 46 O THR A 4 -26.095 16.888 -49.087 1.00 0.00 O ATOM 47 CB THR A 4 -23.415 18.263 -50.501 1.00 0.00 C ATOM 48 OG1 THR A 4 -23.569 18.932 -49.258 1.00 0.00 O ATOM 49 CG2 THR A 4 -22.909 19.249 -51.563 1.00 0.00 C ATOM 0 H THR A 4 -25.540 19.577 -50.546 1.00 0.00 H new ATOM 0 HA THR A 4 -24.650 17.175 -51.894 1.00 0.00 H new ATOM 0 HB THR A 4 -22.686 17.459 -50.396 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.709 19.313 -48.983 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.952 19.665 -51.247 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.782 18.728 -52.512 1.00 0.00 H new ATOM 0 HG23 THR A 4 -23.633 20.055 -51.685 1.00 0.00 H new ATOM 57 N ILE A 5 -24.592 15.449 -49.954 1.00 0.00 N ATOM 58 CA ILE A 5 -24.922 14.362 -49.034 1.00 0.00 C ATOM 59 C ILE A 5 -23.900 14.282 -47.905 1.00 0.00 C ATOM 60 O ILE A 5 -23.905 13.335 -47.117 1.00 0.00 O ATOM 61 CB ILE A 5 -24.955 13.040 -49.806 1.00 0.00 C ATOM 62 CG1 ILE A 5 -23.604 12.799 -50.490 1.00 0.00 C ATOM 63 CG2 ILE A 5 -26.055 13.093 -50.866 1.00 0.00 C ATOM 64 CD1 ILE A 5 -23.585 11.393 -51.096 1.00 0.00 C ATOM 0 H ILE A 5 -23.859 15.222 -50.625 1.00 0.00 H new ATOM 0 HA ILE A 5 -25.900 14.555 -48.594 1.00 0.00 H new ATOM 0 HB ILE A 5 -25.156 12.227 -49.109 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.440 13.545 -51.268 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -22.794 12.907 -49.769 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.077 12.151 -51.415 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -27.019 13.254 -50.383 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -25.855 13.911 -51.558 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -22.625 11.220 -51.583 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.730 10.655 -50.307 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -24.386 11.302 -51.830 1.00 0.00 H new ATOM 76 N GLN A 6 -23.026 15.279 -47.832 1.00 0.00 N ATOM 77 CA GLN A 6 -21.999 15.310 -46.793 1.00 0.00 C ATOM 78 C GLN A 6 -22.630 15.412 -45.408 1.00 0.00 C ATOM 79 O GLN A 6 -22.169 14.777 -44.460 1.00 0.00 O ATOM 80 CB GLN A 6 -21.047 16.493 -47.012 1.00 0.00 C ATOM 81 CG GLN A 6 -20.161 16.233 -48.235 1.00 0.00 C ATOM 82 CD GLN A 6 -19.203 17.403 -48.438 1.00 0.00 C ATOM 83 OE1 GLN A 6 -18.625 17.907 -47.474 1.00 0.00 O ATOM 84 NE2 GLN A 6 -19.000 17.867 -49.641 1.00 0.00 N ATOM 0 H GLN A 6 -23.006 16.072 -48.474 1.00 0.00 H new ATOM 0 HA GLN A 6 -21.434 14.380 -46.855 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.619 17.409 -47.156 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.427 16.640 -46.128 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -19.598 15.310 -48.098 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -20.780 16.100 -49.122 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.480 17.447 -50.437 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.361 18.649 -49.785 1.00 0.00 H new ATOM 93 N GLU A 7 -23.686 16.211 -45.296 1.00 0.00 N ATOM 94 CA GLU A 7 -24.366 16.376 -44.013 1.00 0.00 C ATOM 95 C GLU A 7 -24.966 15.054 -43.547 1.00 0.00 C ATOM 96 O GLU A 7 -24.907 14.718 -42.365 1.00 0.00 O ATOM 97 CB GLU A 7 -25.471 17.433 -44.121 1.00 0.00 C ATOM 98 CG GLU A 7 -24.850 18.828 -44.249 1.00 0.00 C ATOM 99 CD GLU A 7 -25.939 19.855 -44.549 1.00 0.00 C ATOM 100 OE1 GLU A 7 -27.039 19.441 -44.876 1.00 0.00 O ATOM 101 OE2 GLU A 7 -25.656 21.037 -44.444 1.00 0.00 O1- ATOM 0 H GLU A 7 -24.086 16.748 -46.065 1.00 0.00 H new ATOM 0 HA GLU A 7 -23.628 16.706 -43.282 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -26.101 17.225 -44.986 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -26.113 17.391 -43.241 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -24.333 19.092 -43.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.105 18.832 -45.044 1.00 0.00 H new ATOM 108 N LYS A 8 -25.535 14.302 -44.484 1.00 0.00 N ATOM 109 CA LYS A 8 -26.132 13.012 -44.150 1.00 0.00 C ATOM 110 C LYS A 8 -25.068 12.050 -43.636 1.00 0.00 C ATOM 111 O LYS A 8 -25.304 11.291 -42.695 1.00 0.00 O ATOM 112 CB LYS A 8 -26.826 12.406 -45.377 1.00 0.00 C ATOM 113 CG LYS A 8 -28.107 13.194 -45.696 1.00 0.00 C ATOM 114 CD LYS A 8 -28.930 12.462 -46.768 1.00 0.00 C ATOM 115 CE LYS A 8 -28.247 12.571 -48.134 1.00 0.00 C ATOM 116 NZ LYS A 8 -29.148 12.011 -49.180 1.00 0.00 N1+ ATOM 0 H LYS A 8 -25.596 14.559 -45.469 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.873 13.174 -43.368 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.153 12.427 -46.234 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.069 11.360 -45.189 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.702 13.316 -44.791 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.850 14.194 -46.045 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.044 11.413 -46.494 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.932 12.889 -46.820 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.016 13.613 -48.356 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.301 12.030 -48.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.600 11.815 -50.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.575 11.128 -48.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.899 12.698 -49.396 1.00 0.00 H new ATOM 130 N GLU A 9 -23.893 12.090 -44.256 1.00 0.00 N ATOM 131 CA GLU A 9 -22.794 11.219 -43.845 1.00 0.00 C ATOM 132 C GLU A 9 -22.356 11.543 -42.421 1.00 0.00 C ATOM 133 O GLU A 9 -22.057 10.645 -41.635 1.00 0.00 O ATOM 134 CB GLU A 9 -21.604 11.373 -44.798 1.00 0.00 C ATOM 135 CG GLU A 9 -21.930 10.731 -46.151 1.00 0.00 C ATOM 136 CD GLU A 9 -20.833 11.059 -47.159 1.00 0.00 C ATOM 137 OE1 GLU A 9 -20.037 11.938 -46.874 1.00 0.00 O ATOM 138 OE2 GLU A 9 -20.806 10.426 -48.202 1.00 0.00 O1- ATOM 0 H GLU A 9 -23.677 12.709 -45.037 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.147 10.188 -43.880 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -21.371 12.429 -44.934 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.719 10.904 -44.367 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.021 9.651 -46.038 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.891 11.096 -46.514 1.00 0.00 H new ATOM 145 N GLN A 10 -22.329 12.831 -42.094 1.00 0.00 N ATOM 146 CA GLN A 10 -21.932 13.259 -40.755 1.00 0.00 C ATOM 147 C GLN A 10 -22.928 12.746 -39.720 1.00 0.00 C ATOM 148 O GLN A 10 -22.543 12.326 -38.628 1.00 0.00 O ATOM 149 CB GLN A 10 -21.854 14.791 -40.678 1.00 0.00 C ATOM 150 CG GLN A 10 -20.657 15.313 -41.490 1.00 0.00 C ATOM 151 CD GLN A 10 -19.347 14.814 -40.888 1.00 0.00 C ATOM 152 OE1 GLN A 10 -19.139 14.917 -39.679 1.00 0.00 O ATOM 153 NE2 GLN A 10 -18.448 14.274 -41.665 1.00 0.00 N ATOM 0 H GLN A 10 -22.574 13.590 -42.729 1.00 0.00 H new ATOM 0 HA GLN A 10 -20.947 12.844 -40.543 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -22.777 15.227 -41.059 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -21.759 15.104 -39.638 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.739 14.981 -42.525 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.666 16.403 -41.504 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.623 14.190 -42.666 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.570 13.936 -41.271 1.00 0.00 H new ATOM 162 N GLU A 11 -24.210 12.781 -40.070 1.00 0.00 N ATOM 163 CA GLU A 11 -25.252 12.315 -39.162 1.00 0.00 C ATOM 164 C GLU A 11 -25.077 10.830 -38.865 1.00 0.00 C ATOM 165 O GLU A 11 -25.269 10.387 -37.732 1.00 0.00 O ATOM 166 CB GLU A 11 -26.629 12.554 -39.784 1.00 0.00 C ATOM 167 CG GLU A 11 -26.925 14.055 -39.813 1.00 0.00 C ATOM 168 CD GLU A 11 -28.212 14.317 -40.586 1.00 0.00 C ATOM 169 OE1 GLU A 11 -28.684 13.403 -41.241 1.00 0.00 O ATOM 170 OE2 GLU A 11 -28.708 15.431 -40.514 1.00 0.00 O1- ATOM 0 H GLU A 11 -24.550 13.124 -40.968 1.00 0.00 H new ATOM 0 HA GLU A 11 -25.173 12.872 -38.229 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.658 12.148 -40.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -27.394 12.033 -39.209 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.018 14.436 -38.796 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.096 14.589 -40.278 1.00 0.00 H new ATOM 177 N LEU A 12 -24.712 10.065 -39.889 1.00 0.00 N ATOM 178 CA LEU A 12 -24.512 8.628 -39.727 1.00 0.00 C ATOM 179 C LEU A 12 -25.659 8.018 -38.922 1.00 0.00 C ATOM 180 O LEU A 12 -25.525 6.933 -38.354 1.00 0.00 O ATOM 181 CB LEU A 12 -23.167 8.365 -39.020 1.00 0.00 C ATOM 182 CG LEU A 12 -22.599 6.988 -39.429 1.00 0.00 C ATOM 183 CD1 LEU A 12 -21.830 7.100 -40.754 1.00 0.00 C ATOM 184 CD2 LEU A 12 -21.647 6.477 -38.338 1.00 0.00 C ATOM 0 H LEU A 12 -24.549 10.412 -40.834 1.00 0.00 H new ATOM 0 HA LEU A 12 -24.495 8.161 -40.712 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.455 9.149 -39.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -23.305 8.401 -37.939 1.00 0.00 H new ATOM 0 HG LEU A 12 -23.429 6.292 -39.553 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -21.436 6.122 -41.030 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.502 7.454 -41.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.006 7.804 -40.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.248 5.505 -38.629 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.826 7.183 -38.211 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -22.190 6.379 -37.398 1.00 0.00 H new ATOM 196 N LYS A 13 -26.787 8.722 -38.879 1.00 0.00 N ATOM 197 CA LYS A 13 -27.957 8.248 -38.142 1.00 0.00 C ATOM 198 C LYS A 13 -28.814 7.357 -39.039 1.00 0.00 C ATOM 199 O LYS A 13 -29.209 7.759 -40.133 1.00 0.00 O ATOM 200 CB LYS A 13 -28.777 9.455 -37.655 1.00 0.00 C ATOM 201 CG LYS A 13 -30.041 9.018 -36.885 1.00 0.00 C ATOM 202 CD LYS A 13 -29.666 8.355 -35.552 1.00 0.00 C ATOM 203 CE LYS A 13 -30.926 8.164 -34.709 1.00 0.00 C ATOM 204 NZ LYS A 13 -30.565 7.525 -33.413 1.00 0.00 N1+ ATOM 0 H LYS A 13 -26.917 9.620 -39.344 1.00 0.00 H new ATOM 0 HA LYS A 13 -27.631 7.664 -37.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -28.157 10.079 -37.011 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -29.066 10.067 -38.510 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -30.677 9.884 -36.699 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -30.620 8.322 -37.492 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -29.187 7.393 -35.734 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -28.946 8.973 -35.015 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -31.406 9.126 -34.531 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -31.644 7.543 -35.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -31.423 7.395 -32.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -30.125 6.600 -33.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -29.895 8.133 -32.901 1.00 0.00 H new ATOM 218 N ASN A 14 -29.097 6.147 -38.567 1.00 0.00 N ATOM 219 CA ASN A 14 -29.906 5.210 -39.337 1.00 0.00 C ATOM 220 C ASN A 14 -29.313 5.002 -40.728 1.00 0.00 C ATOM 221 O ASN A 14 -30.044 4.894 -41.712 1.00 0.00 O ATOM 222 CB ASN A 14 -31.333 5.746 -39.469 1.00 0.00 C ATOM 223 CG ASN A 14 -31.959 5.916 -38.089 1.00 0.00 C ATOM 224 OD1 ASN A 14 -31.800 5.054 -37.224 1.00 0.00 O ATOM 225 ND2 ASN A 14 -32.663 6.984 -37.830 1.00 0.00 N ATOM 0 H ASN A 14 -28.781 5.795 -37.663 1.00 0.00 H new ATOM 0 HA ASN A 14 -29.918 4.254 -38.813 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -31.324 6.702 -39.993 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -31.933 5.061 -40.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -33.083 7.107 -36.909 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -32.793 7.696 -38.549 1.00 0.00 H new ATOM 232 N LEU A 15 -27.979 4.945 -40.808 1.00 0.00 N ATOM 233 CA LEU A 15 -27.295 4.750 -42.089 1.00 0.00 C ATOM 234 C LEU A 15 -26.844 3.298 -42.224 1.00 0.00 C ATOM 235 O LEU A 15 -26.109 2.786 -41.380 1.00 0.00 O ATOM 236 CB LEU A 15 -26.082 5.685 -42.171 1.00 0.00 C ATOM 237 CG LEU A 15 -25.329 5.485 -43.496 1.00 0.00 C ATOM 238 CD1 LEU A 15 -26.254 5.797 -44.686 1.00 0.00 C ATOM 239 CD2 LEU A 15 -24.121 6.429 -43.526 1.00 0.00 C ATOM 0 H LEU A 15 -27.355 5.031 -40.005 1.00 0.00 H new ATOM 0 HA LEU A 15 -27.983 4.982 -42.902 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -26.409 6.721 -42.086 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -25.411 5.493 -41.333 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.998 4.449 -43.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -25.709 5.652 -45.619 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -27.116 5.130 -44.662 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -26.594 6.831 -44.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -23.579 6.296 -44.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -24.464 7.461 -43.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -23.461 6.202 -42.689 1.00 0.00 H new ATOM 251 N LYS A 16 -27.291 2.638 -43.290 1.00 0.00 N ATOM 252 CA LYS A 16 -26.930 1.240 -43.531 1.00 0.00 C ATOM 253 C LYS A 16 -25.678 1.159 -44.399 1.00 0.00 C ATOM 254 O LYS A 16 -25.158 0.072 -44.654 1.00 0.00 O ATOM 255 CB LYS A 16 -28.080 0.508 -44.237 1.00 0.00 C ATOM 256 CG LYS A 16 -29.379 0.582 -43.413 1.00 0.00 C ATOM 257 CD LYS A 16 -29.223 -0.161 -42.081 1.00 0.00 C ATOM 258 CE LYS A 16 -30.601 -0.344 -41.442 1.00 0.00 C ATOM 259 NZ LYS A 16 -31.173 0.990 -41.108 1.00 0.00 N1+ ATOM 0 H LYS A 16 -27.901 3.045 -43.999 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.735 0.767 -42.569 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -28.245 0.948 -45.220 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -27.807 -0.535 -44.396 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -29.637 1.624 -43.225 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -30.201 0.148 -43.982 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.753 -1.131 -42.245 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.570 0.400 -41.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -31.263 -0.875 -42.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -30.518 -0.952 -40.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -32.016 0.867 -40.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.465 1.553 -40.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -31.439 1.483 -41.984 1.00 0.00 H new ATOM 273 N ASP A 17 -25.197 2.313 -44.853 1.00 0.00 N ATOM 274 CA ASP A 17 -24.004 2.359 -45.693 1.00 0.00 C ATOM 275 C ASP A 17 -22.745 2.355 -44.834 1.00 0.00 C ATOM 276 O ASP A 17 -22.095 3.387 -44.660 1.00 0.00 O ATOM 277 CB ASP A 17 -24.027 3.621 -46.559 1.00 0.00 C ATOM 278 CG ASP A 17 -22.848 3.615 -47.526 1.00 0.00 C ATOM 279 OD1 ASP A 17 -21.979 2.775 -47.363 1.00 0.00 O ATOM 280 OD2 ASP A 17 -22.833 4.449 -48.415 1.00 0.00 O1- ATOM 0 H ASP A 17 -25.612 3.224 -44.655 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.997 1.477 -46.333 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -24.963 3.673 -47.115 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -23.983 4.507 -45.926 1.00 0.00 H new ATOM 285 N ASN A 18 -22.405 1.184 -44.294 1.00 0.00 N ATOM 286 CA ASN A 18 -21.217 1.049 -43.448 1.00 0.00 C ATOM 287 C ASN A 18 -20.013 0.609 -44.275 1.00 0.00 C ATOM 288 O ASN A 18 -18.912 0.446 -43.744 1.00 0.00 O ATOM 289 CB ASN A 18 -21.481 0.019 -42.348 1.00 0.00 C ATOM 290 CG ASN A 18 -22.487 0.573 -41.345 1.00 0.00 C ATOM 291 OD1 ASN A 18 -22.675 1.785 -41.258 1.00 0.00 O ATOM 292 ND2 ASN A 18 -23.150 -0.250 -40.578 1.00 0.00 N ATOM 0 H ASN A 18 -22.931 0.320 -44.426 1.00 0.00 H new ATOM 0 HA ASN A 18 -21.000 2.019 -43.001 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -21.862 -0.903 -42.786 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -20.549 -0.230 -41.841 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -23.825 0.112 -39.905 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -22.992 -1.255 -40.652 1.00 0.00 H new ATOM 299 N VAL A 19 -20.222 0.424 -45.573 1.00 0.00 N ATOM 300 CA VAL A 19 -19.141 0.008 -46.457 1.00 0.00 C ATOM 301 C VAL A 19 -18.198 1.175 -46.731 1.00 0.00 C ATOM 302 O VAL A 19 -17.025 0.977 -47.046 1.00 0.00 O ATOM 303 CB VAL A 19 -19.708 -0.522 -47.776 1.00 0.00 C ATOM 304 CG1 VAL A 19 -20.439 -1.847 -47.539 1.00 0.00 C ATOM 305 CG2 VAL A 19 -20.692 0.500 -48.352 1.00 0.00 C ATOM 0 H VAL A 19 -21.123 0.554 -46.034 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.582 -0.788 -45.965 1.00 0.00 H new ATOM 0 HB VAL A 19 -18.889 -0.685 -48.476 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -20.839 -2.216 -48.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -19.743 -2.579 -47.129 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.257 -1.691 -46.835 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.097 0.125 -49.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -21.505 0.661 -47.644 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -20.175 1.443 -48.531 1.00 0.00 H new ATOM 315 N GLU A 20 -18.719 2.391 -46.607 1.00 0.00 N ATOM 316 CA GLU A 20 -17.914 3.584 -46.842 1.00 0.00 C ATOM 317 C GLU A 20 -16.760 3.655 -45.849 1.00 0.00 C ATOM 318 O GLU A 20 -15.634 3.992 -46.213 1.00 0.00 O ATOM 319 CB GLU A 20 -18.786 4.837 -46.707 1.00 0.00 C ATOM 320 CG GLU A 20 -17.978 6.084 -47.093 1.00 0.00 C ATOM 321 CD GLU A 20 -17.072 6.512 -45.940 1.00 0.00 C ATOM 322 OE1 GLU A 20 -17.418 6.242 -44.802 1.00 0.00 O ATOM 323 OE2 GLU A 20 -16.041 7.106 -46.213 1.00 0.00 O1- ATOM 0 H GLU A 20 -19.688 2.576 -46.347 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.506 3.532 -47.852 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.664 4.750 -47.347 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.147 4.930 -45.683 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.377 5.875 -47.978 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.655 6.898 -47.352 1.00 0.00 H new ATOM 330 N LEU A 21 -17.047 3.326 -44.593 1.00 0.00 N ATOM 331 CA LEU A 21 -16.020 3.350 -43.554 1.00 0.00 C ATOM 332 C LEU A 21 -14.933 2.324 -43.859 1.00 0.00 C ATOM 333 O LEU A 21 -13.747 2.583 -43.653 1.00 0.00 O ATOM 334 CB LEU A 21 -16.638 3.051 -42.183 1.00 0.00 C ATOM 335 CG LEU A 21 -17.512 4.228 -41.711 1.00 0.00 C ATOM 336 CD1 LEU A 21 -18.297 3.796 -40.468 1.00 0.00 C ATOM 337 CD2 LEU A 21 -16.635 5.453 -41.369 1.00 0.00 C ATOM 0 H LEU A 21 -17.972 3.042 -44.271 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.577 4.346 -43.535 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.240 2.144 -42.240 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.848 2.864 -41.456 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.198 4.507 -42.511 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.919 4.623 -40.125 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.930 2.944 -40.715 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.601 3.514 -39.678 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.270 6.274 -41.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.937 5.190 -40.574 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.078 5.760 -42.254 1.00 0.00 H new ATOM 349 N GLU A 22 -15.346 1.159 -44.346 1.00 0.00 N ATOM 350 CA GLU A 22 -14.399 0.099 -44.675 1.00 0.00 C ATOM 351 C GLU A 22 -13.456 0.548 -45.788 1.00 0.00 C ATOM 352 O GLU A 22 -12.262 0.249 -45.761 1.00 0.00 O ATOM 353 CB GLU A 22 -15.153 -1.156 -45.118 1.00 0.00 C ATOM 354 CG GLU A 22 -15.918 -1.741 -43.928 1.00 0.00 C ATOM 355 CD GLU A 22 -14.942 -2.314 -42.908 1.00 0.00 C ATOM 356 OE1 GLU A 22 -13.798 -2.535 -43.270 1.00 0.00 O ATOM 357 OE2 GLU A 22 -15.351 -2.523 -41.777 1.00 0.00 O1- ATOM 0 H GLU A 22 -16.323 0.925 -44.521 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.811 -0.126 -43.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.845 -0.911 -45.924 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.453 -1.893 -45.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.529 -0.968 -43.463 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.598 -2.521 -44.271 1.00 0.00 H new ATOM 364 N ARG A 23 -14.001 1.265 -46.765 1.00 0.00 N ATOM 365 CA ARG A 23 -13.200 1.748 -47.884 1.00 0.00 C ATOM 366 C ARG A 23 -12.091 2.670 -47.386 1.00 0.00 C ATOM 367 O ARG A 23 -10.947 2.576 -47.828 1.00 0.00 O ATOM 368 CB ARG A 23 -14.091 2.498 -48.877 1.00 0.00 C ATOM 369 CG ARG A 23 -13.272 2.910 -50.103 1.00 0.00 C ATOM 370 CD ARG A 23 -14.169 3.665 -51.086 1.00 0.00 C ATOM 371 NE ARG A 23 -15.235 2.793 -51.567 1.00 0.00 N ATOM 372 CZ ARG A 23 -15.031 1.938 -52.564 1.00 0.00 C ATOM 373 NH1 ARG A 23 -16.001 1.170 -52.976 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 -13.857 1.867 -53.132 1.00 0.00 N ATOM 0 H ARG A 23 -14.987 1.523 -46.805 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.746 0.892 -48.383 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.924 1.865 -49.181 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.518 3.380 -48.401 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.436 3.540 -49.800 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.849 2.028 -50.584 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.598 4.541 -50.599 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.577 4.025 -51.927 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.155 2.840 -51.130 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.918 1.225 -52.533 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.843 0.514 -53.741 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.098 2.467 -52.810 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.699 1.211 -53.897 1.00 0.00 H new ATOM 388 N LEU A 24 -12.438 3.561 -46.463 1.00 0.00 N ATOM 389 CA LEU A 24 -11.463 4.496 -45.913 1.00 0.00 C ATOM 390 C LEU A 24 -10.340 3.737 -45.210 1.00 0.00 C ATOM 391 O LEU A 24 -9.163 4.053 -45.380 1.00 0.00 O ATOM 392 CB LEU A 24 -12.154 5.445 -44.925 1.00 0.00 C ATOM 393 CG LEU A 24 -11.143 6.433 -44.321 1.00 0.00 C ATOM 394 CD1 LEU A 24 -10.498 7.280 -45.430 1.00 0.00 C ATOM 395 CD2 LEU A 24 -11.877 7.349 -43.336 1.00 0.00 C ATOM 0 H LEU A 24 -13.380 3.655 -46.082 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.033 5.078 -46.728 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.946 5.994 -45.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.626 4.869 -44.129 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.358 5.879 -43.805 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.784 7.975 -44.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.981 6.627 -46.133 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.271 7.840 -45.957 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.170 8.055 -42.900 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.659 7.896 -43.862 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.324 6.748 -42.544 1.00 0.00 H new ATOM 407 N LYS A 25 -10.714 2.732 -44.424 1.00 0.00 N ATOM 408 CA LYS A 25 -9.730 1.934 -43.703 1.00 0.00 C ATOM 409 C LYS A 25 -8.953 1.041 -44.666 1.00 0.00 C ATOM 410 O LYS A 25 -9.503 0.549 -45.650 1.00 0.00 O ATOM 411 CB LYS A 25 -10.429 1.069 -42.652 1.00 0.00 C ATOM 412 CG LYS A 25 -11.017 1.972 -41.561 1.00 0.00 C ATOM 413 CD LYS A 25 -11.950 1.171 -40.639 1.00 0.00 C ATOM 414 CE LYS A 25 -11.141 0.248 -39.721 1.00 0.00 C ATOM 415 NZ LYS A 25 -10.206 1.063 -38.896 1.00 0.00 N1+ ATOM 0 H LYS A 25 -11.683 2.453 -44.271 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.031 2.611 -43.211 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.219 0.479 -43.117 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.721 0.365 -42.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.212 2.415 -40.976 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.568 2.794 -42.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.551 1.854 -40.039 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.643 0.580 -41.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.812 -0.320 -39.076 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.583 -0.475 -40.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.240 0.737 -37.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.238 0.958 -39.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.486 2.064 -38.940 1.00 0.00 H new ATOM 429 N ASN A 26 -7.671 0.837 -44.371 1.00 0.00 N ATOM 430 CA ASN A 26 -6.818 0.002 -45.218 1.00 0.00 C ATOM 431 C ASN A 26 -6.856 -1.450 -44.751 1.00 0.00 C ATOM 432 O ASN A 26 -6.209 -2.319 -45.337 1.00 0.00 O ATOM 433 CB ASN A 26 -5.380 0.519 -45.173 1.00 0.00 C ATOM 434 CG ASN A 26 -5.283 1.852 -45.908 1.00 0.00 C ATOM 435 OD1 ASN A 26 -6.141 2.173 -46.730 1.00 0.00 O ATOM 436 ND2 ASN A 26 -4.282 2.653 -45.659 1.00 0.00 N ATOM 0 H ASN A 26 -7.201 1.235 -43.558 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.191 0.050 -46.241 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.061 0.641 -44.138 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.709 -0.208 -45.630 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.210 3.546 -46.146 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.572 2.385 -44.977 1.00 0.00 H new ATOM 443 N GLU A 27 -7.625 -1.708 -43.696 1.00 0.00 N ATOM 444 CA GLU A 27 -7.752 -3.060 -43.161 1.00 0.00 C ATOM 445 C GLU A 27 -6.427 -3.529 -42.559 1.00 0.00 C ATOM 446 O GLU A 27 -6.241 -4.715 -42.288 1.00 0.00 O ATOM 447 CB GLU A 27 -8.191 -4.018 -44.280 1.00 0.00 C ATOM 448 CG GLU A 27 -8.891 -5.248 -43.685 1.00 0.00 C ATOM 449 CD GLU A 27 -10.246 -4.851 -43.109 1.00 0.00 C ATOM 450 OE1 GLU A 27 -10.719 -3.780 -43.444 1.00 0.00 O ATOM 451 OE2 GLU A 27 -10.791 -5.628 -42.341 1.00 0.00 O1- ATOM 0 H GLU A 27 -8.167 -1.002 -43.197 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.504 -3.056 -42.372 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.865 -3.503 -44.965 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.324 -4.331 -44.861 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.023 -6.009 -44.454 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.270 -5.688 -42.905 1.00 0.00 H new ATOM 458 N ARG A 28 -5.508 -2.593 -42.345 1.00 0.00 N ATOM 459 CA ARG A 28 -4.210 -2.933 -41.770 1.00 0.00 C ATOM 460 C ARG A 28 -4.377 -3.491 -40.361 1.00 0.00 C ATOM 461 O ARG A 28 -3.687 -4.433 -39.971 1.00 0.00 O ATOM 462 CB ARG A 28 -3.310 -1.696 -41.730 1.00 0.00 C ATOM 463 CG ARG A 28 -2.900 -1.320 -43.155 1.00 0.00 C ATOM 464 CD ARG A 28 -2.174 0.026 -43.139 1.00 0.00 C ATOM 465 NE ARG A 28 -3.094 1.093 -42.770 1.00 0.00 N ATOM 466 CZ ARG A 28 -2.673 2.346 -42.625 1.00 0.00 C ATOM 467 NH1 ARG A 28 -3.518 3.285 -42.293 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 -1.416 2.636 -42.815 1.00 0.00 N ATOM 0 H ARG A 28 -5.635 -1.604 -42.558 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.747 -3.695 -42.397 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.836 -0.865 -41.260 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.425 -1.896 -41.126 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.252 -2.090 -43.573 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.781 -1.263 -43.795 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.345 -0.009 -42.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.747 0.228 -44.121 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.079 0.875 -42.620 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.501 3.057 -42.145 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.195 4.246 -42.182 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.757 1.902 -43.075 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.092 3.597 -42.704 1.00 0.00 H new ATOM 482 N HIS A 29 -5.295 -2.904 -39.599 1.00 0.00 N ATOM 483 CA HIS A 29 -5.542 -3.354 -38.235 1.00 0.00 C ATOM 484 C HIS A 29 -6.263 -4.698 -38.235 1.00 0.00 C ATOM 485 O HIS A 29 -7.094 -4.967 -39.103 1.00 0.00 O ATOM 486 CB HIS A 29 -6.385 -2.319 -37.488 1.00 0.00 C ATOM 487 CG HIS A 29 -5.616 -1.032 -37.375 1.00 0.00 C ATOM 488 ND1 HIS A 29 -4.520 -0.897 -36.538 1.00 0.00 N ATOM 489 CD2 HIS A 29 -5.771 0.187 -37.988 1.00 0.00 C ATOM 490 CE1 HIS A 29 -4.062 0.364 -36.668 1.00 0.00 C ATOM 491 NE2 HIS A 29 -4.789 1.066 -37.541 1.00 0.00 N ATOM 0 H HIS A 29 -5.876 -2.122 -39.901 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.582 -3.471 -37.732 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.323 -2.149 -38.016 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.641 -2.690 -36.496 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.539 0.427 -38.708 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.211 0.758 -36.132 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.654 2.038 -37.820 1.00 0.00 H new ATOM 499 N ASP A 30 -5.939 -5.538 -37.258 1.00 0.00 N ATOM 500 CA ASP A 30 -6.562 -6.853 -37.155 1.00 0.00 C ATOM 501 C ASP A 30 -8.069 -6.720 -36.959 1.00 0.00 C ATOM 502 O ASP A 30 -8.851 -7.444 -37.575 1.00 0.00 O ATOM 503 CB ASP A 30 -5.958 -7.626 -35.982 1.00 0.00 C ATOM 504 CG ASP A 30 -6.543 -9.034 -35.929 1.00 0.00 C ATOM 505 OD1 ASP A 30 -6.274 -9.800 -36.840 1.00 0.00 O ATOM 506 OD2 ASP A 30 -7.252 -9.324 -34.980 1.00 0.00 O1- ATOM 0 H ASP A 30 -5.254 -5.334 -36.531 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.376 -7.396 -38.082 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.874 -7.677 -36.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.162 -7.103 -35.048 1.00 0.00 H new ATOM 511 N HIS A 31 -8.470 -5.793 -36.093 1.00 0.00 N ATOM 512 CA HIS A 31 -9.887 -5.573 -35.818 1.00 0.00 C ATOM 513 C HIS A 31 -10.117 -4.160 -35.290 1.00 0.00 C ATOM 514 O HIS A 31 -9.183 -3.490 -34.856 1.00 0.00 O ATOM 515 CB HIS A 31 -10.380 -6.596 -34.791 1.00 0.00 C ATOM 516 CG HIS A 31 -9.652 -6.392 -33.491 1.00 0.00 C ATOM 517 ND1 HIS A 31 -8.341 -6.803 -33.305 1.00 0.00 N ATOM 518 CD2 HIS A 31 -10.040 -5.826 -32.302 1.00 0.00 C ATOM 519 CE1 HIS A 31 -7.990 -6.480 -32.046 1.00 0.00 C ATOM 520 NE2 HIS A 31 -8.988 -5.882 -31.392 1.00 0.00 N ATOM 0 H HIS A 31 -7.838 -5.185 -35.572 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.445 -5.693 -36.747 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.454 -6.487 -34.640 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.211 -7.608 -35.160 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.013 -5.402 -32.103 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.019 -6.680 -31.617 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.981 -5.539 -30.431 1.00 0.00 H new ATOM 528 N ASP A 32 -11.369 -3.713 -35.335 1.00 0.00 N ATOM 529 CA ASP A 32 -11.710 -2.376 -34.860 1.00 0.00 C ATOM 530 C ASP A 32 -11.416 -2.242 -33.369 1.00 0.00 C ATOM 531 O ASP A 32 -11.615 -3.181 -32.601 1.00 0.00 O ATOM 532 CB ASP A 32 -13.192 -2.094 -35.116 1.00 0.00 C ATOM 533 CG ASP A 32 -13.437 -1.895 -36.608 1.00 0.00 C ATOM 534 OD1 ASP A 32 -12.468 -1.739 -37.332 1.00 0.00 O ATOM 535 OD2 ASP A 32 -14.591 -1.902 -37.004 1.00 0.00 O1- ATOM 0 H ASP A 32 -12.158 -4.252 -35.692 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.102 -1.653 -35.404 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.797 -2.923 -34.747 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.501 -1.205 -34.567 1.00 0.00 H new ATOM 540 N GLU A 33 -10.944 -1.065 -32.969 1.00 0.00 N ATOM 541 CA GLU A 33 -10.629 -0.819 -31.566 1.00 0.00 C ATOM 542 C GLU A 33 -11.890 -0.860 -30.706 1.00 0.00 C ATOM 543 O GLU A 33 -11.820 -1.063 -29.494 1.00 0.00 O ATOM 544 CB GLU A 33 -9.914 0.535 -31.412 1.00 0.00 C ATOM 545 CG GLU A 33 -10.805 1.695 -31.919 1.00 0.00 C ATOM 546 CD GLU A 33 -10.562 1.949 -33.406 1.00 0.00 C ATOM 547 OE1 GLU A 33 -10.068 1.053 -34.069 1.00 0.00 O ATOM 548 OE2 GLU A 33 -10.875 3.037 -33.858 1.00 0.00 O1- ATOM 0 H GLU A 33 -10.773 -0.274 -33.590 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.962 -1.609 -31.221 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.659 0.699 -30.365 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.977 0.521 -31.969 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.855 1.454 -31.752 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.592 2.600 -31.350 1.00 0.00 H new ATOM 555 N GLU A 34 -13.043 -0.668 -31.342 1.00 0.00 N ATOM 556 CA GLU A 34 -14.313 -0.688 -30.626 1.00 0.00 C ATOM 557 C GLU A 34 -14.291 0.296 -29.458 1.00 0.00 C ATOM 558 O GLU A 34 -14.911 0.057 -28.421 1.00 0.00 O ATOM 559 CB GLU A 34 -14.588 -2.098 -30.102 1.00 0.00 C ATOM 560 CG GLU A 34 -14.887 -3.029 -31.280 1.00 0.00 C ATOM 561 CD GLU A 34 -14.964 -4.474 -30.797 1.00 0.00 C ATOM 562 OE1 GLU A 34 -14.531 -4.730 -29.688 1.00 0.00 O ATOM 563 OE2 GLU A 34 -15.455 -5.301 -31.548 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.123 -0.498 -32.345 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.103 -0.392 -31.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.727 -2.465 -29.544 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.432 -2.083 -29.412 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.828 -2.743 -31.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.110 -2.931 -32.038 1.00 0.00 H new ATOM 570 N ALA A 35 -13.575 1.403 -29.633 1.00 0.00 N ATOM 571 CA ALA A 35 -13.483 2.418 -28.587 1.00 0.00 C ATOM 572 C ALA A 35 -14.860 2.997 -28.277 1.00 0.00 C ATOM 573 O ALA A 35 -15.186 3.264 -27.122 1.00 0.00 O ATOM 574 CB ALA A 35 -12.545 3.541 -29.033 1.00 0.00 C ATOM 0 H ALA A 35 -13.053 1.620 -30.482 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.088 1.949 -27.686 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.481 4.295 -28.248 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.553 3.132 -29.225 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.932 3.998 -29.944 1.00 0.00 H new ATOM 580 N GLU A 36 -15.660 3.194 -29.320 1.00 0.00 N ATOM 581 CA GLU A 36 -16.998 3.750 -29.155 1.00 0.00 C ATOM 582 C GLU A 36 -17.859 2.833 -28.290 1.00 0.00 C ATOM 583 O GLU A 36 -18.645 3.304 -27.466 1.00 0.00 O ATOM 584 CB GLU A 36 -17.664 3.930 -30.524 1.00 0.00 C ATOM 585 CG GLU A 36 -16.974 5.055 -31.310 1.00 0.00 C ATOM 586 CD GLU A 36 -15.686 4.544 -31.953 1.00 0.00 C ATOM 587 OE1 GLU A 36 -15.418 3.358 -31.845 1.00 0.00 O ATOM 588 OE2 GLU A 36 -14.985 5.347 -32.545 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.407 2.978 -30.284 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.907 4.718 -28.663 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.610 2.998 -31.087 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -18.721 4.164 -30.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.646 5.435 -32.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.750 5.888 -30.644 1.00 0.00 H new ATOM 595 N ARG A 37 -17.713 1.527 -28.481 1.00 0.00 N ATOM 596 CA ARG A 37 -18.492 0.564 -27.711 1.00 0.00 C ATOM 597 C ARG A 37 -18.208 0.723 -26.221 1.00 0.00 C ATOM 598 O ARG A 37 -19.126 0.713 -25.400 1.00 0.00 O ATOM 599 CB ARG A 37 -18.147 -0.862 -28.149 1.00 0.00 C ATOM 600 CG ARG A 37 -19.033 -1.858 -27.395 1.00 0.00 C ATOM 601 CD ARG A 37 -18.742 -3.277 -27.887 1.00 0.00 C ATOM 602 NE ARG A 37 -17.386 -3.669 -27.521 1.00 0.00 N ATOM 603 CZ ARG A 37 -16.868 -4.821 -27.933 1.00 0.00 C ATOM 604 NH1 ARG A 37 -15.654 -5.152 -27.585 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -17.572 -5.622 -28.684 1.00 0.00 N ATOM 0 H ARG A 37 -17.069 1.113 -29.155 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.550 0.751 -27.893 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -18.295 -0.969 -29.224 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.096 -1.071 -27.949 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -18.846 -1.788 -26.323 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -20.084 -1.616 -27.551 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -19.459 -3.974 -27.454 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -18.863 -3.326 -28.969 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.825 -3.048 -26.938 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.104 -4.526 -26.997 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.256 -6.036 -27.901 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.521 -5.364 -28.955 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.174 -6.506 -29.000 1.00 0.00 H new ATOM 619 N LYS A 38 -16.933 0.871 -25.876 1.00 0.00 N ATOM 620 CA LYS A 38 -16.542 1.032 -24.480 1.00 0.00 C ATOM 621 C LYS A 38 -17.152 2.304 -23.898 1.00 0.00 C ATOM 622 O LYS A 38 -17.595 2.322 -22.750 1.00 0.00 O ATOM 623 CB LYS A 38 -15.019 1.097 -24.368 1.00 0.00 C ATOM 624 CG LYS A 38 -14.423 -0.277 -24.682 1.00 0.00 C ATOM 625 CD LYS A 38 -12.900 -0.213 -24.567 1.00 0.00 C ATOM 626 CE LYS A 38 -12.309 -1.600 -24.822 1.00 0.00 C ATOM 627 NZ LYS A 38 -12.631 -2.029 -26.213 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.158 0.883 -26.539 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.910 0.174 -23.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.625 1.842 -25.059 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.731 1.409 -23.364 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.819 -1.023 -23.993 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.709 -0.588 -25.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.500 0.502 -25.286 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.614 0.139 -23.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.229 -1.579 -24.677 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.713 -2.316 -24.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.985 -2.792 -26.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.612 -2.373 -26.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.521 -1.222 -26.859 1.00 0.00 H new ATOM 641 N ALA A 39 -17.170 3.365 -24.698 1.00 0.00 N ATOM 642 CA ALA A 39 -17.726 4.636 -24.251 1.00 0.00 C ATOM 643 C ALA A 39 -19.207 4.487 -23.913 1.00 0.00 C ATOM 644 O ALA A 39 -19.690 5.054 -22.933 1.00 0.00 O ATOM 645 CB ALA A 39 -17.555 5.693 -25.345 1.00 0.00 C ATOM 0 H ALA A 39 -16.809 3.370 -25.652 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.191 4.949 -23.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.973 6.640 -25.004 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.495 5.822 -25.564 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.075 5.371 -26.247 1.00 0.00 H new ATOM 651 N LEU A 40 -19.920 3.718 -24.728 1.00 0.00 N ATOM 652 CA LEU A 40 -21.347 3.500 -24.502 1.00 0.00 C ATOM 653 C LEU A 40 -21.572 2.771 -23.180 1.00 0.00 C ATOM 654 O LEU A 40 -22.504 3.082 -22.441 1.00 0.00 O ATOM 655 CB LEU A 40 -21.953 2.679 -25.647 1.00 0.00 C ATOM 656 CG LEU A 40 -22.022 3.514 -26.938 1.00 0.00 C ATOM 657 CD1 LEU A 40 -22.400 2.595 -28.104 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.076 4.635 -26.804 1.00 0.00 C ATOM 0 H LEU A 40 -19.540 3.239 -25.544 1.00 0.00 H new ATOM 0 HA LEU A 40 -21.836 4.473 -24.462 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.353 1.785 -25.818 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -22.953 2.344 -25.371 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.050 3.972 -27.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.452 3.177 -29.024 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -21.647 1.814 -28.211 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -23.371 2.139 -27.908 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -23.110 5.214 -27.727 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -24.055 4.194 -26.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -22.808 5.289 -25.974 1.00 0.00 H new ATOM 670 N GLU A 41 -20.706 1.805 -22.887 1.00 0.00 N ATOM 671 CA GLU A 41 -20.821 1.046 -21.645 1.00 0.00 C ATOM 672 C GLU A 41 -20.622 1.957 -20.439 1.00 0.00 C ATOM 673 O GLU A 41 -21.311 1.822 -19.427 1.00 0.00 O ATOM 674 CB GLU A 41 -19.788 -0.087 -21.612 1.00 0.00 C ATOM 675 CG GLU A 41 -20.182 -1.184 -22.606 1.00 0.00 C ATOM 676 CD GLU A 41 -19.059 -2.210 -22.719 1.00 0.00 C ATOM 677 OE1 GLU A 41 -17.970 -1.919 -22.255 1.00 0.00 O ATOM 678 OE2 GLU A 41 -19.307 -3.271 -23.268 1.00 0.00 O1- ATOM 0 H GLU A 41 -19.926 1.531 -23.484 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.822 0.617 -21.602 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.801 0.303 -21.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.723 -0.502 -20.606 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.100 -1.671 -22.278 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.385 -0.746 -23.583 1.00 0.00 H new ATOM 685 N ASP A 42 -19.677 2.885 -20.554 1.00 0.00 N ATOM 686 CA ASP A 42 -19.395 3.813 -19.465 1.00 0.00 C ATOM 687 C ASP A 42 -20.622 4.664 -19.149 1.00 0.00 C ATOM 688 O ASP A 42 -20.963 4.870 -17.985 1.00 0.00 O ATOM 689 CB ASP A 42 -18.225 4.723 -19.845 1.00 0.00 C ATOM 690 CG ASP A 42 -17.874 5.635 -18.674 1.00 0.00 C ATOM 691 OD1 ASP A 42 -18.616 5.636 -17.706 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.867 6.320 -18.764 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.098 3.014 -21.384 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.134 3.233 -18.580 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.359 4.121 -20.120 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.487 5.322 -20.717 1.00 0.00 H new ATOM 697 N LYS A 43 -21.283 5.154 -20.193 1.00 0.00 N ATOM 698 CA LYS A 43 -22.474 5.978 -20.009 1.00 0.00 C ATOM 699 C LYS A 43 -23.580 5.179 -19.328 1.00 0.00 C ATOM 700 O LYS A 43 -24.294 5.695 -18.469 1.00 0.00 O ATOM 701 CB LYS A 43 -22.974 6.504 -21.360 1.00 0.00 C ATOM 702 CG LYS A 43 -22.023 7.591 -21.878 1.00 0.00 C ATOM 703 CD LYS A 43 -22.355 7.940 -23.337 1.00 0.00 C ATOM 704 CE LYS A 43 -23.692 8.687 -23.417 1.00 0.00 C ATOM 705 NZ LYS A 43 -23.897 9.183 -24.806 1.00 0.00 N1+ ATOM 0 H LYS A 43 -21.018 4.998 -21.166 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.207 6.823 -19.374 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.034 5.687 -22.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.980 6.909 -21.253 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.106 8.482 -21.256 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.992 7.246 -21.805 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.561 8.556 -23.760 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -22.404 7.029 -23.933 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.509 8.025 -23.131 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.698 9.522 -22.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.803 9.690 -24.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.122 9.828 -25.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.909 8.378 -25.464 1.00 0.00 H new ATOM 719 N LEU A 44 -23.717 3.916 -19.719 1.00 0.00 N ATOM 720 CA LEU A 44 -24.740 3.055 -19.140 1.00 0.00 C ATOM 721 C LEU A 44 -24.507 2.888 -17.640 1.00 0.00 C ATOM 722 O LEU A 44 -25.442 2.968 -16.843 1.00 0.00 O ATOM 723 CB LEU A 44 -24.718 1.685 -19.834 1.00 0.00 C ATOM 724 CG LEU A 44 -25.782 0.754 -19.235 1.00 0.00 C ATOM 725 CD1 LEU A 44 -27.184 1.362 -19.417 1.00 0.00 C ATOM 726 CD2 LEU A 44 -25.714 -0.600 -19.951 1.00 0.00 C ATOM 0 H LEU A 44 -23.137 3.469 -20.429 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.716 3.516 -19.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -24.897 1.810 -20.902 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.732 1.234 -19.727 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.592 0.625 -18.169 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -27.929 0.692 -18.988 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -27.230 2.327 -18.913 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -27.387 1.498 -20.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -26.466 -1.270 -19.534 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.904 -0.459 -21.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -24.724 -1.035 -19.814 1.00 0.00 H new ATOM 738 N ALA A 45 -23.254 2.659 -17.265 1.00 0.00 N ATOM 739 CA ALA A 45 -22.904 2.484 -15.859 1.00 0.00 C ATOM 740 C ALA A 45 -23.234 3.743 -15.062 1.00 0.00 C ATOM 741 O ALA A 45 -23.713 3.665 -13.930 1.00 0.00 O ATOM 742 CB ALA A 45 -21.412 2.172 -15.725 1.00 0.00 C ATOM 0 H ALA A 45 -22.467 2.590 -17.910 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.486 1.652 -15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.160 2.043 -14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.182 1.255 -16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.830 2.995 -16.139 1.00 0.00 H new ATOM 748 N ASP A 46 -22.975 4.901 -15.660 1.00 0.00 N ATOM 749 CA ASP A 46 -23.244 6.172 -14.998 1.00 0.00 C ATOM 750 C ASP A 46 -24.761 6.384 -14.855 1.00 0.00 C ATOM 751 O ASP A 46 -25.541 5.690 -15.507 1.00 0.00 O ATOM 752 CB ASP A 46 -22.634 7.321 -15.805 1.00 0.00 C ATOM 753 CG ASP A 46 -21.113 7.294 -15.687 1.00 0.00 C ATOM 754 OD1 ASP A 46 -20.617 6.585 -14.826 1.00 0.00 O ATOM 755 OD2 ASP A 46 -20.467 7.985 -16.457 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.581 4.986 -16.597 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.794 6.153 -14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.927 7.237 -16.851 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.018 8.275 -15.442 1.00 0.00 H new ATOM 760 N LYS A 47 -25.184 7.335 -14.006 1.00 0.00 N ATOM 761 CA LYS A 47 -26.609 7.589 -13.819 1.00 0.00 C ATOM 762 C LYS A 47 -27.335 6.310 -13.414 1.00 0.00 C ATOM 763 O LYS A 47 -28.434 6.029 -13.893 1.00 0.00 O ATOM 764 CB LYS A 47 -27.220 8.138 -15.111 1.00 0.00 C ATOM 765 CG LYS A 47 -26.572 9.481 -15.453 1.00 0.00 C ATOM 766 CD LYS A 47 -27.192 10.037 -16.736 1.00 0.00 C ATOM 767 CE LYS A 47 -26.560 11.391 -17.065 1.00 0.00 C ATOM 768 NZ LYS A 47 -25.105 11.208 -17.327 1.00 0.00 N1+ ATOM 0 H LYS A 47 -24.567 7.927 -13.450 1.00 0.00 H new ATOM 0 HA LYS A 47 -26.723 8.325 -13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -27.068 7.431 -15.927 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -28.296 8.261 -14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.715 10.185 -14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.497 9.356 -15.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -27.034 9.341 -17.560 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -28.269 10.147 -16.613 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -27.045 11.829 -17.937 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.707 12.084 -16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.744 12.021 -17.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.595 11.139 -16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.958 10.336 -17.875 1.00 0.00 H new ATOM 782 N GLN A 48 -26.713 5.536 -12.523 1.00 0.00 N ATOM 783 CA GLN A 48 -27.304 4.283 -12.048 1.00 0.00 C ATOM 784 C GLN A 48 -27.124 4.153 -10.538 1.00 0.00 C ATOM 785 O GLN A 48 -26.020 4.320 -10.019 1.00 0.00 O ATOM 786 CB GLN A 48 -26.637 3.096 -12.749 1.00 0.00 C ATOM 787 CG GLN A 48 -27.313 1.793 -12.313 1.00 0.00 C ATOM 788 CD GLN A 48 -26.713 0.615 -13.070 1.00 0.00 C ATOM 789 OE1 GLN A 48 -25.859 0.804 -13.938 1.00 0.00 O ATOM 790 NE2 GLN A 48 -27.107 -0.597 -12.793 1.00 0.00 N ATOM 0 H GLN A 48 -25.803 5.753 -12.117 1.00 0.00 H new ATOM 0 HA GLN A 48 -28.369 4.288 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -26.711 3.211 -13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.575 3.066 -12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -27.186 1.649 -11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -28.385 1.849 -12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.814 -0.752 -12.074 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.708 -1.390 -13.295 1.00 0.00 H new ATOM 799 N GLU A 49 -28.215 3.853 -9.841 1.00 0.00 N ATOM 800 CA GLU A 49 -28.165 3.703 -8.391 1.00 0.00 C ATOM 801 C GLU A 49 -29.424 3.013 -7.876 1.00 0.00 C ATOM 802 O GLU A 49 -29.835 3.220 -6.735 1.00 0.00 O ATOM 803 CB GLU A 49 -28.023 5.077 -7.727 1.00 0.00 C ATOM 804 CG GLU A 49 -29.221 5.955 -8.097 1.00 0.00 C ATOM 805 CD GLU A 49 -29.046 7.349 -7.503 1.00 0.00 C ATOM 806 OE1 GLU A 49 -28.042 7.570 -6.847 1.00 0.00 O ATOM 807 OE2 GLU A 49 -29.921 8.174 -7.711 1.00 0.00 O1- ATOM 0 H GLU A 49 -29.137 3.710 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 49 -27.301 3.087 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -27.963 4.964 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -27.097 5.554 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -29.313 6.021 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -30.142 5.505 -7.725 1.00 0.00 H new ATOM 814 N HIS A 50 -30.036 2.188 -8.728 1.00 0.00 N ATOM 815 CA HIS A 50 -31.256 1.466 -8.358 1.00 0.00 C ATOM 816 C HIS A 50 -31.168 0.007 -8.792 1.00 0.00 C ATOM 817 O HIS A 50 -30.542 -0.313 -9.804 1.00 0.00 O ATOM 818 CB HIS A 50 -32.468 2.121 -9.022 1.00 0.00 C ATOM 819 CG HIS A 50 -32.572 3.554 -8.576 1.00 0.00 C ATOM 820 ND1 HIS A 50 -32.945 3.901 -7.287 1.00 0.00 N ATOM 821 CD2 HIS A 50 -32.355 4.738 -9.235 1.00 0.00 C ATOM 822 CE1 HIS A 50 -32.942 5.244 -7.211 1.00 0.00 C ATOM 823 NE2 HIS A 50 -32.589 5.805 -8.372 1.00 0.00 N ATOM 0 H HIS A 50 -29.708 2.003 -9.676 1.00 0.00 H new ATOM 0 HA HIS A 50 -31.365 1.506 -7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -32.372 2.073 -10.107 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -33.377 1.580 -8.758 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -32.049 4.828 -10.267 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -33.194 5.801 -6.321 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -32.508 6.800 -8.581 1.00 0.00 H new ATOM 831 N LEU A 51 -31.807 -0.872 -8.027 1.00 0.00 N ATOM 832 CA LEU A 51 -31.799 -2.296 -8.347 1.00 0.00 C ATOM 833 C LEU A 51 -32.494 -2.540 -9.684 1.00 0.00 C ATOM 834 O LEU A 51 -32.051 -3.365 -10.484 1.00 0.00 O ATOM 835 CB LEU A 51 -32.507 -3.099 -7.249 1.00 0.00 C ATOM 836 CG LEU A 51 -31.664 -3.120 -5.961 1.00 0.00 C ATOM 837 CD1 LEU A 51 -32.504 -3.714 -4.827 1.00 0.00 C ATOM 838 CD2 LEU A 51 -30.390 -3.971 -6.160 1.00 0.00 C ATOM 0 H LEU A 51 -32.333 -0.627 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 51 -30.762 -2.625 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -33.484 -2.661 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -32.681 -4.119 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 51 -31.365 -2.101 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -31.915 -3.733 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -33.394 -3.103 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -32.802 -4.729 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -29.807 -3.974 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.671 -4.993 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -29.792 -3.547 -6.967 1.00 0.00 H new ATOM 850 N ASP A 52 -33.582 -1.815 -9.919 1.00 0.00 N ATOM 851 CA ASP A 52 -34.329 -1.958 -11.164 1.00 0.00 C ATOM 852 C ASP A 52 -33.449 -1.595 -12.356 1.00 0.00 C ATOM 853 O ASP A 52 -33.504 -2.243 -13.401 1.00 0.00 O ATOM 854 CB ASP A 52 -35.562 -1.053 -11.140 1.00 0.00 C ATOM 855 CG ASP A 52 -36.593 -1.603 -10.162 1.00 0.00 C ATOM 856 OD1 ASP A 52 -36.442 -2.740 -9.749 1.00 0.00 O ATOM 857 OD2 ASP A 52 -37.520 -0.877 -9.840 1.00 0.00 O1- ATOM 0 H ASP A 52 -33.964 -1.127 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 52 -34.646 -2.996 -11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -35.276 -0.042 -10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -35.994 -0.987 -12.138 1.00 0.00 H new ATOM 862 N GLY A 53 -32.637 -0.557 -12.189 1.00 0.00 N ATOM 863 CA GLY A 53 -31.745 -0.116 -13.256 1.00 0.00 C ATOM 864 C GLY A 53 -30.762 -1.226 -13.638 1.00 0.00 C ATOM 865 O GLY A 53 -30.444 -1.409 -14.812 1.00 0.00 O ATOM 0 H GLY A 53 -32.578 -0.008 -11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.330 0.174 -14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -31.195 0.768 -12.934 1.00 0.00 H new ATOM 869 N ALA A 54 -30.274 -1.958 -12.636 1.00 0.00 N ATOM 870 CA ALA A 54 -29.324 -3.038 -12.880 1.00 0.00 C ATOM 871 C ALA A 54 -29.940 -4.149 -13.734 1.00 0.00 C ATOM 872 O ALA A 54 -29.267 -4.727 -14.588 1.00 0.00 O ATOM 873 CB ALA A 54 -28.853 -3.626 -11.548 1.00 0.00 C ATOM 0 H ALA A 54 -30.520 -1.823 -11.655 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.478 -2.619 -13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.144 -4.432 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -28.369 -2.848 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -29.710 -4.018 -11.000 1.00 0.00 H new ATOM 879 N LEU A 55 -31.206 -4.468 -13.479 1.00 0.00 N ATOM 880 CA LEU A 55 -31.875 -5.540 -14.217 1.00 0.00 C ATOM 881 C LEU A 55 -31.962 -5.235 -15.713 1.00 0.00 C ATOM 882 O LEU A 55 -31.719 -6.112 -16.542 1.00 0.00 O ATOM 883 CB LEU A 55 -33.288 -5.745 -13.663 1.00 0.00 C ATOM 884 CG LEU A 55 -33.224 -6.339 -12.247 1.00 0.00 C ATOM 885 CD1 LEU A 55 -34.629 -6.318 -11.636 1.00 0.00 C ATOM 886 CD2 LEU A 55 -32.697 -7.790 -12.289 1.00 0.00 C ATOM 0 H LEU A 55 -31.785 -4.007 -12.777 1.00 0.00 H new ATOM 0 HA LEU A 55 -31.282 -6.446 -14.090 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -33.819 -4.794 -13.642 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -33.850 -6.410 -14.319 1.00 0.00 H new ATOM 0 HG LEU A 55 -32.542 -5.743 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -34.595 -6.738 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -34.990 -5.291 -11.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -35.303 -6.911 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -32.659 -8.193 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -33.363 -8.401 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -31.697 -7.801 -12.722 1.00 0.00 H new ATOM 898 N ARG A 56 -32.305 -3.998 -16.058 1.00 0.00 N ATOM 899 CA ARG A 56 -32.413 -3.618 -17.465 1.00 0.00 C ATOM 900 C ARG A 56 -31.033 -3.444 -18.091 1.00 0.00 C ATOM 901 O ARG A 56 -30.899 -3.392 -19.314 1.00 0.00 O ATOM 902 CB ARG A 56 -33.230 -2.330 -17.610 1.00 0.00 C ATOM 903 CG ARG A 56 -32.562 -1.198 -16.831 1.00 0.00 C ATOM 904 CD ARG A 56 -33.341 0.100 -17.051 1.00 0.00 C ATOM 905 NE ARG A 56 -33.247 0.517 -18.446 1.00 0.00 N ATOM 906 CZ ARG A 56 -33.932 1.562 -18.897 1.00 0.00 C ATOM 907 NH1 ARG A 56 -33.833 1.917 -20.149 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -34.706 2.234 -18.089 1.00 0.00 N ATOM 0 H ARG A 56 -32.511 -3.250 -15.395 1.00 0.00 H new ATOM 0 HA ARG A 56 -32.927 -4.420 -17.994 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -33.313 -2.059 -18.662 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -34.243 -2.489 -17.241 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -32.532 -1.441 -15.769 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -31.530 -1.076 -17.159 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -34.386 -0.044 -16.777 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -32.947 0.883 -16.403 1.00 0.00 H new ATOM 0 HE ARG A 56 -32.645 -0.002 -19.085 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -33.229 1.392 -20.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -34.359 2.719 -20.495 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -34.785 1.957 -17.111 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -35.232 3.036 -18.436 1.00 0.00 H new ATOM 922 N TYR A 57 -30.007 -3.350 -17.246 1.00 0.00 N ATOM 923 CA TYR A 57 -28.635 -3.177 -17.724 1.00 0.00 C ATOM 924 C TYR A 57 -28.380 -4.014 -18.975 1.00 0.00 C ATOM 925 O TYR A 57 -28.217 -3.430 -20.034 1.00 0.00 O ATOM 926 CB TYR A 57 -27.647 -3.591 -16.631 1.00 0.00 C ATOM 927 CG TYR A 57 -26.235 -3.364 -17.116 1.00 0.00 C ATOM 928 CD1 TYR A 57 -25.671 -2.084 -17.056 1.00 0.00 C ATOM 929 CD2 TYR A 57 -25.488 -4.434 -17.624 1.00 0.00 C ATOM 930 CE1 TYR A 57 -24.362 -1.874 -17.505 1.00 0.00 C ATOM 931 CE2 TYR A 57 -24.178 -4.224 -18.072 1.00 0.00 C ATOM 932 CZ TYR A 57 -23.616 -2.944 -18.013 1.00 0.00 C ATOM 933 OH TYR A 57 -22.325 -2.736 -18.455 1.00 0.00 O ATOM 934 OXT TYR A 57 -28.352 -5.229 -18.857 1.00 0.00 O ATOM 0 H TYR A 57 -30.099 -3.390 -16.231 1.00 0.00 H new ATOM 0 HA TYR A 57 -28.495 -2.125 -17.973 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -27.829 -3.014 -15.724 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -27.791 -4.641 -16.375 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -26.246 -1.258 -16.663 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -25.922 -5.422 -17.670 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -23.927 -0.886 -17.460 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -23.602 -5.050 -18.463 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.948 -3.582 -18.775 1.00 0.00 H new TER 944 TYR A 57