USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 10 GLN : amide:sc= 1.09 K(o=2.2,f=-7.9!) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -148:sc= 1.08 (180deg=-0.62) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0137 (180deg=-0.107) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 14 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.766) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.65! C(o=-2.7!,f=-11!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.000233 X(o=-0.00023,f=0) USER MOD Single : A 41 SER OG : rot 119:sc= 1.37 USER MOD Single : A 42 THR OG1 : rot 7:sc= 1.03 USER MOD Single : A 43 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc=-0.00612 (180deg=-0.151) USER MOD Single : A 49 LYS NZ :NH3+ 133:sc= 1.53 (180deg=0.876) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.359 -13.772 -5.851 1.00 0.00 N ATOM 2 CA MET A 1 0.942 -12.487 -5.403 1.00 0.00 C ATOM 3 C MET A 1 2.361 -12.336 -5.934 1.00 0.00 C ATOM 4 O MET A 1 3.079 -13.325 -6.083 1.00 0.00 O ATOM 5 CB MET A 1 0.962 -12.399 -3.874 1.00 0.00 C ATOM 6 CG MET A 1 -0.417 -12.400 -3.236 1.00 0.00 C ATOM 7 SD MET A 1 -0.350 -12.318 -1.437 1.00 0.00 S ATOM 8 CE MET A 1 -2.094 -12.368 -1.034 1.00 0.00 C ATOM 0 H1 MET A 1 -0.539 -13.593 -6.343 1.00 0.00 H new ATOM 0 H2 MET A 1 1.020 -14.246 -6.499 1.00 0.00 H new ATOM 0 H3 MET A 1 0.186 -14.381 -5.026 1.00 0.00 H new ATOM 0 HA MET A 1 0.319 -11.683 -5.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.534 -13.239 -3.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.486 -11.490 -3.580 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.988 -11.552 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.951 -13.302 -3.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.219 -12.325 0.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.598 -11.516 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.529 -13.293 -1.413 1.00 0.00 H new ATOM 20 N PRO A 2 2.776 -11.098 -6.242 1.00 0.00 N ATOM 21 CA PRO A 2 4.146 -10.809 -6.657 1.00 0.00 C ATOM 22 C PRO A 2 5.089 -10.772 -5.458 1.00 0.00 C ATOM 23 O PRO A 2 4.824 -10.082 -4.472 1.00 0.00 O ATOM 24 CB PRO A 2 4.032 -9.434 -7.312 1.00 0.00 C ATOM 25 CG PRO A 2 2.863 -8.781 -6.652 1.00 0.00 C ATOM 26 CD PRO A 2 1.938 -9.885 -6.206 1.00 0.00 C ATOM 0 HA PRO A 2 4.557 -11.566 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.942 -8.852 -7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.878 -9.522 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.186 -8.181 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.356 -8.108 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.550 -9.699 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.078 -9.976 -6.869 1.00 0.00 H new ATOM 34 N LEU A 3 6.181 -11.517 -5.537 1.00 0.00 N ATOM 35 CA LEU A 3 7.084 -11.655 -4.406 1.00 0.00 C ATOM 36 C LEU A 3 8.489 -12.011 -4.877 1.00 0.00 C ATOM 37 O LEU A 3 8.702 -13.057 -5.493 1.00 0.00 O ATOM 38 CB LEU A 3 6.541 -12.729 -3.447 1.00 0.00 C ATOM 39 CG LEU A 3 7.258 -12.861 -2.095 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.314 -13.454 -1.061 1.00 0.00 C ATOM 41 CD2 LEU A 3 8.499 -13.735 -2.215 1.00 0.00 C ATOM 0 H LEU A 3 6.462 -12.034 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 3 7.143 -10.703 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.489 -12.517 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.585 -13.693 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 3 7.567 -11.865 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.831 -13.544 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.447 -12.804 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.986 -14.440 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.986 -13.811 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.212 -14.730 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.189 -13.291 -2.933 1.00 0.00 H new ATOM 53 N THR A 4 9.436 -11.132 -4.586 1.00 0.00 N ATOM 54 CA THR A 4 10.835 -11.386 -4.876 1.00 0.00 C ATOM 55 C THR A 4 11.576 -11.706 -3.580 1.00 0.00 C ATOM 56 O THR A 4 12.148 -12.787 -3.423 1.00 0.00 O ATOM 57 CB THR A 4 11.489 -10.171 -5.563 1.00 0.00 C ATOM 58 OG1 THR A 4 10.669 -9.732 -6.655 1.00 0.00 O ATOM 59 CG2 THR A 4 12.878 -10.517 -6.081 1.00 0.00 C ATOM 0 H THR A 4 9.256 -10.230 -4.146 1.00 0.00 H new ATOM 0 HA THR A 4 10.896 -12.236 -5.556 1.00 0.00 H new ATOM 0 HB THR A 4 11.583 -9.374 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.087 -8.959 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.316 -9.642 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.509 -10.829 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.805 -11.329 -6.805 1.00 0.00 H new ATOM 67 N ASP A 5 11.530 -10.768 -2.643 1.00 0.00 N ATOM 68 CA ASP A 5 12.126 -10.955 -1.326 1.00 0.00 C ATOM 69 C ASP A 5 11.039 -11.363 -0.336 1.00 0.00 C ATOM 70 O ASP A 5 9.852 -11.223 -0.636 1.00 0.00 O ATOM 71 CB ASP A 5 12.836 -9.668 -0.865 1.00 0.00 C ATOM 72 CG ASP A 5 11.892 -8.510 -0.608 1.00 0.00 C ATOM 73 OD1 ASP A 5 11.516 -7.810 -1.573 1.00 0.00 O ATOM 74 OD2 ASP A 5 11.537 -8.277 0.568 1.00 0.00 O ATOM 0 H ASP A 5 11.081 -9.861 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 5 12.875 -11.745 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.395 -9.879 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.562 -9.372 -1.623 1.00 0.00 H new ATOM 79 N PRO A 6 11.420 -11.875 0.853 1.00 0.00 N ATOM 80 CA PRO A 6 10.463 -12.371 1.856 1.00 0.00 C ATOM 81 C PRO A 6 9.457 -11.316 2.306 1.00 0.00 C ATOM 82 O PRO A 6 8.453 -11.642 2.947 1.00 0.00 O ATOM 83 CB PRO A 6 11.330 -12.784 3.047 1.00 0.00 C ATOM 84 CG PRO A 6 12.705 -12.275 2.775 1.00 0.00 C ATOM 85 CD PRO A 6 12.813 -12.031 1.297 1.00 0.00 C ATOM 0 HA PRO A 6 9.867 -13.182 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.939 -12.365 3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.335 -13.868 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.890 -11.355 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.453 -12.999 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.401 -11.139 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.301 -12.864 0.791 1.00 0.00 H new ATOM 93 N ALA A 7 9.753 -10.059 1.980 1.00 0.00 N ATOM 94 CA ALA A 7 8.912 -8.919 2.324 1.00 0.00 C ATOM 95 C ALA A 7 8.952 -8.619 3.816 1.00 0.00 C ATOM 96 O ALA A 7 9.363 -9.450 4.629 1.00 0.00 O ATOM 97 CB ALA A 7 7.478 -9.115 1.845 1.00 0.00 C ATOM 0 H ALA A 7 10.594 -9.803 1.463 1.00 0.00 H new ATOM 0 HA ALA A 7 9.321 -8.054 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.881 -8.245 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.469 -9.234 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.057 -10.006 2.311 1.00 0.00 H new ATOM 103 N LYS A 8 8.539 -7.414 4.164 1.00 0.00 N ATOM 104 CA LYS A 8 8.546 -6.973 5.545 1.00 0.00 C ATOM 105 C LYS A 8 7.115 -6.896 6.060 1.00 0.00 C ATOM 106 O LYS A 8 6.193 -7.390 5.407 1.00 0.00 O ATOM 107 CB LYS A 8 9.246 -5.610 5.677 1.00 0.00 C ATOM 108 CG LYS A 8 10.738 -5.639 5.344 1.00 0.00 C ATOM 109 CD LYS A 8 10.995 -5.784 3.848 1.00 0.00 C ATOM 110 CE LYS A 8 12.462 -6.055 3.554 1.00 0.00 C ATOM 111 NZ LYS A 8 12.711 -6.264 2.103 1.00 0.00 N ATOM 0 H LYS A 8 8.192 -6.719 3.503 1.00 0.00 H new ATOM 0 HA LYS A 8 9.102 -7.692 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.752 -4.895 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.119 -5.246 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.206 -4.723 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.210 -6.467 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.388 -6.598 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.683 -4.874 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.063 -5.217 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.786 -6.936 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.723 -6.446 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.158 -7.079 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.427 -5.414 1.576 1.00 0.00 H new ATOM 125 N LEU A 9 6.935 -6.299 7.233 1.00 0.00 N ATOM 126 CA LEU A 9 5.612 -6.157 7.828 1.00 0.00 C ATOM 127 C LEU A 9 4.718 -5.254 6.982 1.00 0.00 C ATOM 128 O LEU A 9 4.734 -4.029 7.118 1.00 0.00 O ATOM 129 CB LEU A 9 5.719 -5.606 9.254 1.00 0.00 C ATOM 130 CG LEU A 9 6.463 -6.498 10.245 1.00 0.00 C ATOM 131 CD1 LEU A 9 6.550 -5.827 11.606 1.00 0.00 C ATOM 132 CD2 LEU A 9 5.774 -7.845 10.357 1.00 0.00 C ATOM 0 H LEU A 9 7.692 -5.905 7.792 1.00 0.00 H new ATOM 0 HA LEU A 9 5.158 -7.147 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.219 -4.638 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.713 -5.430 9.634 1.00 0.00 H new ATOM 0 HG LEU A 9 7.477 -6.656 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.083 -6.478 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.084 -4.881 11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.545 -5.640 11.984 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.314 -8.472 11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.751 -7.702 10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.762 -8.330 9.381 1.00 0.00 H new ATOM 144 N GLN A 10 3.964 -5.873 6.086 1.00 0.00 N ATOM 145 CA GLN A 10 3.032 -5.155 5.235 1.00 0.00 C ATOM 146 C GLN A 10 1.642 -5.763 5.321 1.00 0.00 C ATOM 147 O GLN A 10 1.375 -6.645 6.139 1.00 0.00 O ATOM 148 CB GLN A 10 3.501 -5.164 3.781 1.00 0.00 C ATOM 149 CG GLN A 10 4.691 -4.263 3.508 1.00 0.00 C ATOM 150 CD GLN A 10 5.234 -4.440 2.102 1.00 0.00 C ATOM 151 OE1 GLN A 10 4.491 -4.787 1.181 1.00 0.00 O ATOM 152 NE2 GLN A 10 6.517 -4.186 1.917 1.00 0.00 N ATOM 0 H GLN A 10 3.982 -6.881 5.930 1.00 0.00 H new ATOM 0 HA GLN A 10 2.993 -4.125 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.760 -6.185 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.673 -4.858 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.398 -3.223 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.479 -4.477 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.099 -3.901 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.925 -4.275 0.987 1.00 0.00 H new ATOM 161 N ILE A 11 0.765 -5.295 4.450 1.00 0.00 N ATOM 162 CA ILE A 11 -0.623 -5.717 4.444 1.00 0.00 C ATOM 163 C ILE A 11 -0.854 -6.875 3.467 1.00 0.00 C ATOM 164 O ILE A 11 -1.994 -7.258 3.210 1.00 0.00 O ATOM 165 CB ILE A 11 -1.534 -4.511 4.095 1.00 0.00 C ATOM 166 CG1 ILE A 11 -1.211 -3.927 2.715 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.385 -3.433 5.153 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.812 -4.710 1.574 1.00 0.00 C ATOM 0 H ILE A 11 0.996 -4.612 3.728 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.877 -6.080 5.440 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.563 -4.871 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.573 -2.900 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.129 -3.890 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.027 -2.588 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.674 -3.834 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.347 -3.102 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.543 -4.240 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.431 -5.731 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.897 -4.726 1.675 1.00 0.00 H new ATOM 180 N VAL A 12 0.250 -7.425 2.953 1.00 0.00 N ATOM 181 CA VAL A 12 0.239 -8.447 1.891 1.00 0.00 C ATOM 182 C VAL A 12 -0.317 -9.810 2.340 1.00 0.00 C ATOM 183 O VAL A 12 0.307 -10.849 2.141 1.00 0.00 O ATOM 184 CB VAL A 12 1.661 -8.642 1.308 1.00 0.00 C ATOM 185 CG1 VAL A 12 2.078 -7.419 0.506 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.674 -8.922 2.415 1.00 0.00 C ATOM 0 H VAL A 12 1.189 -7.174 3.263 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.438 -8.065 1.127 1.00 0.00 H new ATOM 0 HB VAL A 12 1.638 -9.506 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.079 -7.572 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.377 -7.265 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.077 -6.542 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.664 -9.055 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.694 -8.083 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.389 -9.829 2.949 1.00 0.00 H new ATOM 196 N GLN A 13 -1.498 -9.786 2.926 1.00 0.00 N ATOM 197 CA GLN A 13 -2.257 -10.987 3.241 1.00 0.00 C ATOM 198 C GLN A 13 -3.728 -10.667 3.057 1.00 0.00 C ATOM 199 O GLN A 13 -4.365 -11.093 2.090 1.00 0.00 O ATOM 200 CB GLN A 13 -2.008 -11.452 4.682 1.00 0.00 C ATOM 201 CG GLN A 13 -0.642 -12.079 4.915 1.00 0.00 C ATOM 202 CD GLN A 13 -0.476 -12.591 6.333 1.00 0.00 C ATOM 203 OE1 GLN A 13 -1.447 -12.975 6.989 1.00 0.00 O ATOM 204 NE2 GLN A 13 0.755 -12.607 6.814 1.00 0.00 N ATOM 0 H GLN A 13 -1.966 -8.923 3.201 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.942 -11.794 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.121 -10.598 5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.777 -12.175 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.499 -12.902 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.134 -11.343 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.532 -12.281 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.928 -12.946 7.760 1.00 0.00 H new ATOM 213 N GLN A 14 -4.236 -9.888 3.998 1.00 0.00 N ATOM 214 CA GLN A 14 -5.561 -9.306 3.925 1.00 0.00 C ATOM 215 C GLN A 14 -5.744 -8.422 5.149 1.00 0.00 C ATOM 216 O GLN A 14 -6.265 -8.858 6.172 1.00 0.00 O ATOM 217 CB GLN A 14 -6.657 -10.386 3.847 1.00 0.00 C ATOM 218 CG GLN A 14 -8.008 -9.857 3.376 1.00 0.00 C ATOM 219 CD GLN A 14 -8.882 -9.340 4.504 1.00 0.00 C ATOM 220 OE1 GLN A 14 -8.856 -9.861 5.617 1.00 0.00 O ATOM 221 NE2 GLN A 14 -9.648 -8.298 4.230 1.00 0.00 N ATOM 0 H GLN A 14 -3.729 -9.640 4.847 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.655 -8.715 3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.330 -11.175 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.778 -10.840 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.844 -9.055 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.538 -10.652 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.642 -7.893 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.245 -7.899 4.955 1.00 0.00 H new ATOM 230 N ARG A 15 -5.231 -7.202 5.068 1.00 0.00 N ATOM 231 CA ARG A 15 -5.320 -6.279 6.184 1.00 0.00 C ATOM 232 C ARG A 15 -6.400 -5.238 5.940 1.00 0.00 C ATOM 233 O ARG A 15 -7.003 -5.193 4.865 1.00 0.00 O ATOM 234 CB ARG A 15 -3.977 -5.604 6.470 1.00 0.00 C ATOM 235 CG ARG A 15 -2.896 -6.567 6.939 1.00 0.00 C ATOM 236 CD ARG A 15 -1.887 -5.868 7.839 1.00 0.00 C ATOM 237 NE ARG A 15 -0.670 -6.654 8.035 1.00 0.00 N ATOM 238 CZ ARG A 15 -0.253 -7.103 9.216 1.00 0.00 C ATOM 239 NH1 ARG A 15 -0.986 -6.913 10.307 1.00 0.00 N ATOM 240 NH2 ARG A 15 0.898 -7.755 9.302 1.00 0.00 N ATOM 0 H ARG A 15 -4.753 -6.833 4.246 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.591 -6.860 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.634 -5.099 5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.121 -4.836 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.354 -7.397 7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.384 -6.991 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.626 -4.903 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.346 -5.668 8.807 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.105 -6.872 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.876 -6.419 10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.659 -7.261 11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.460 -7.911 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.222 -8.101 10.205 1.00 0.00 H new ATOM 254 N VAL A 16 -6.630 -4.396 6.938 1.00 0.00 N ATOM 255 CA VAL A 16 -7.693 -3.401 6.878 1.00 0.00 C ATOM 256 C VAL A 16 -7.205 -2.147 6.152 1.00 0.00 C ATOM 257 O VAL A 16 -7.927 -1.162 6.019 1.00 0.00 O ATOM 258 CB VAL A 16 -8.193 -3.036 8.298 1.00 0.00 C ATOM 259 CG1 VAL A 16 -9.503 -2.259 8.243 1.00 0.00 C ATOM 260 CG2 VAL A 16 -8.352 -4.291 9.144 1.00 0.00 C ATOM 0 H VAL A 16 -6.091 -4.382 7.804 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.527 -3.830 6.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.444 -2.393 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.826 -2.019 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.356 -1.337 7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.265 -2.865 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.704 -4.017 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.075 -4.957 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.391 -4.799 9.226 1.00 0.00 H new ATOM 270 N PHE A 17 -5.975 -2.197 5.665 1.00 0.00 N ATOM 271 CA PHE A 17 -5.403 -1.082 4.928 1.00 0.00 C ATOM 272 C PHE A 17 -4.817 -1.563 3.608 1.00 0.00 C ATOM 273 O PHE A 17 -4.582 -2.759 3.419 1.00 0.00 O ATOM 274 CB PHE A 17 -4.317 -0.387 5.754 1.00 0.00 C ATOM 275 CG PHE A 17 -4.799 0.118 7.083 1.00 0.00 C ATOM 276 CD1 PHE A 17 -5.544 1.283 7.168 1.00 0.00 C ATOM 277 CD2 PHE A 17 -4.516 -0.579 8.246 1.00 0.00 C ATOM 278 CE1 PHE A 17 -5.994 1.745 8.389 1.00 0.00 C ATOM 279 CE2 PHE A 17 -4.963 -0.121 9.471 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.704 1.041 9.542 1.00 0.00 C ATOM 0 H PHE A 17 -5.353 -2.999 5.767 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.200 -0.367 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.495 -1.084 5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.917 0.449 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.775 1.836 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.939 -1.491 8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.572 2.656 8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.733 -0.672 10.371 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.057 1.400 10.498 1.00 0.00 H new ATOM 290 N LEU A 18 -4.601 -0.627 2.701 1.00 0.00 N ATOM 291 CA LEU A 18 -3.975 -0.913 1.419 1.00 0.00 C ATOM 292 C LEU A 18 -2.729 -0.065 1.257 1.00 0.00 C ATOM 293 O LEU A 18 -2.349 0.661 2.170 1.00 0.00 O ATOM 294 CB LEU A 18 -4.935 -0.668 0.254 1.00 0.00 C ATOM 295 CG LEU A 18 -6.053 -1.703 0.099 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.889 -1.400 -1.133 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.475 -3.109 0.014 1.00 0.00 C ATOM 0 H LEU A 18 -4.854 0.353 2.831 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.703 -1.968 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.388 0.316 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.358 -0.639 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.695 -1.648 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.679 -2.145 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.334 -0.410 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.255 -1.428 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.285 -3.830 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.810 -3.177 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.916 -3.328 0.923 1.00 0.00 H new ATOM 309 N LYS A 19 -2.075 -0.184 0.118 1.00 0.00 N ATOM 310 CA LYS A 19 -0.841 0.542 -0.117 1.00 0.00 C ATOM 311 C LYS A 19 -1.116 1.916 -0.713 1.00 0.00 C ATOM 312 O LYS A 19 -2.192 2.175 -1.259 1.00 0.00 O ATOM 313 CB LYS A 19 0.074 -0.249 -1.042 1.00 0.00 C ATOM 314 CG LYS A 19 0.386 -1.644 -0.528 1.00 0.00 C ATOM 315 CD LYS A 19 1.259 -1.595 0.713 1.00 0.00 C ATOM 316 CE LYS A 19 2.494 -2.469 0.561 1.00 0.00 C ATOM 317 NZ LYS A 19 2.163 -3.862 0.152 1.00 0.00 N ATOM 0 H LYS A 19 -2.376 -0.774 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.347 0.677 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.393 -0.327 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.007 0.299 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.544 -2.166 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.890 -2.216 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.562 -0.566 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.683 -1.925 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.160 -2.025 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.037 -2.491 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.858 -4.518 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.212 -4.107 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.188 -3.934 -0.885 1.00 0.00 H new ATOM 331 N LYS A 20 -0.128 2.781 -0.596 1.00 0.00 N ATOM 332 CA LYS A 20 -0.217 4.144 -1.100 1.00 0.00 C ATOM 333 C LYS A 20 0.558 4.280 -2.394 1.00 0.00 C ATOM 334 O LYS A 20 1.739 3.939 -2.460 1.00 0.00 O ATOM 335 CB LYS A 20 0.347 5.112 -0.066 1.00 0.00 C ATOM 336 CG LYS A 20 -0.136 4.825 1.341 1.00 0.00 C ATOM 337 CD LYS A 20 0.598 5.657 2.370 1.00 0.00 C ATOM 338 CE LYS A 20 2.087 5.362 2.366 1.00 0.00 C ATOM 339 NZ LYS A 20 2.796 6.186 3.375 1.00 0.00 N ATOM 0 H LYS A 20 0.762 2.562 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.264 4.379 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.436 5.063 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.068 6.130 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.205 5.027 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.002 3.767 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.435 6.715 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.189 5.456 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.252 4.305 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.498 5.560 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.741 5.788 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.890 7.160 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.255 6.189 4.263 1.00 0.00 H new ATOM 353 N VAL A 21 -0.098 4.790 -3.413 1.00 0.00 N ATOM 354 CA VAL A 21 0.533 4.959 -4.702 1.00 0.00 C ATOM 355 C VAL A 21 0.878 6.427 -4.933 1.00 0.00 C ATOM 356 O VAL A 21 0.040 7.309 -4.770 1.00 0.00 O ATOM 357 CB VAL A 21 -0.356 4.410 -5.846 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.731 5.059 -5.847 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.328 4.595 -7.189 1.00 0.00 C ATOM 0 H VAL A 21 -1.070 5.095 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 21 1.457 4.381 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.498 3.343 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.326 4.649 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.229 4.858 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.625 6.136 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.312 4.203 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.510 5.656 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.277 4.059 -7.191 1.00 0.00 H new ATOM 369 N CYS A 22 2.137 6.678 -5.239 1.00 0.00 N ATOM 370 CA CYS A 22 2.614 8.013 -5.564 1.00 0.00 C ATOM 371 C CYS A 22 1.858 8.593 -6.753 1.00 0.00 C ATOM 372 O CYS A 22 1.622 7.905 -7.741 1.00 0.00 O ATOM 373 CB CYS A 22 4.105 7.933 -5.870 1.00 0.00 C ATOM 374 SG CYS A 22 4.851 9.427 -6.598 1.00 0.00 S ATOM 0 H CYS A 22 2.862 5.961 -5.270 1.00 0.00 H new ATOM 0 HA CYS A 22 2.441 8.674 -4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.634 7.700 -4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.272 7.099 -6.551 1.00 0.00 H new ATOM 379 N ARG A 23 1.486 9.861 -6.655 1.00 0.00 N ATOM 380 CA ARG A 23 0.780 10.524 -7.746 1.00 0.00 C ATOM 381 C ARG A 23 1.757 11.036 -8.805 1.00 0.00 C ATOM 382 O ARG A 23 1.344 11.529 -9.852 1.00 0.00 O ATOM 383 CB ARG A 23 -0.074 11.684 -7.224 1.00 0.00 C ATOM 384 CG ARG A 23 0.720 12.756 -6.493 1.00 0.00 C ATOM 385 CD ARG A 23 -0.087 14.034 -6.330 1.00 0.00 C ATOM 386 NE ARG A 23 -1.344 13.820 -5.616 1.00 0.00 N ATOM 387 CZ ARG A 23 -2.493 14.403 -5.960 1.00 0.00 C ATOM 388 NH1 ARG A 23 -2.547 15.188 -7.030 1.00 0.00 N ATOM 389 NH2 ARG A 23 -3.587 14.195 -5.239 1.00 0.00 N ATOM 0 H ARG A 23 1.658 10.449 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 23 0.124 9.785 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.598 12.143 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.835 11.288 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.017 12.385 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.636 12.971 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.511 14.770 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.299 14.453 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.342 13.192 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.709 15.346 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.426 15.633 -7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.550 13.588 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.465 14.642 -5.504 1.00 0.00 H new ATOM 403 N LYS A 24 3.048 10.912 -8.529 1.00 0.00 N ATOM 404 CA LYS A 24 4.074 11.412 -9.429 1.00 0.00 C ATOM 405 C LYS A 24 4.574 10.284 -10.325 1.00 0.00 C ATOM 406 O LYS A 24 4.527 10.384 -11.550 1.00 0.00 O ATOM 407 CB LYS A 24 5.244 12.002 -8.629 1.00 0.00 C ATOM 408 CG LYS A 24 4.828 12.976 -7.530 1.00 0.00 C ATOM 409 CD LYS A 24 4.756 14.420 -8.015 1.00 0.00 C ATOM 410 CE LYS A 24 3.619 14.656 -8.995 1.00 0.00 C ATOM 411 NZ LYS A 24 3.465 16.099 -9.310 1.00 0.00 N ATOM 0 H LYS A 24 3.409 10.467 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 24 3.643 12.197 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.809 11.186 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.917 12.515 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.855 12.680 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.537 12.910 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.633 15.081 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.700 14.686 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.807 14.100 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.689 14.273 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.681 16.226 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.262 16.625 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.345 16.458 -9.733 1.00 0.00 H new ATOM 425 N CYS A 25 5.034 9.202 -9.703 1.00 0.00 N ATOM 426 CA CYS A 25 5.568 8.067 -10.444 1.00 0.00 C ATOM 427 C CYS A 25 4.494 7.018 -10.656 1.00 0.00 C ATOM 428 O CYS A 25 4.487 6.298 -11.653 1.00 0.00 O ATOM 429 CB CYS A 25 6.719 7.398 -9.681 1.00 0.00 C ATOM 430 SG CYS A 25 7.847 8.536 -8.819 1.00 0.00 S ATOM 0 H CYS A 25 5.047 9.089 -8.689 1.00 0.00 H new ATOM 0 HA CYS A 25 5.926 8.452 -11.399 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.296 6.709 -8.950 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.300 6.800 -10.384 1.00 0.00 H new ATOM 435 N GLY A 26 3.573 6.947 -9.708 1.00 0.00 N ATOM 436 CA GLY A 26 2.718 5.789 -9.608 1.00 0.00 C ATOM 437 C GLY A 26 3.402 4.716 -8.794 1.00 0.00 C ATOM 438 O GLY A 26 3.087 3.531 -8.894 1.00 0.00 O ATOM 0 H GLY A 26 3.404 7.670 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.772 6.064 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.485 5.410 -10.603 1.00 0.00 H new ATOM 442 N ALA A 27 4.364 5.157 -7.991 1.00 0.00 N ATOM 443 CA ALA A 27 5.143 4.269 -7.147 1.00 0.00 C ATOM 444 C ALA A 27 4.373 3.889 -5.899 1.00 0.00 C ATOM 445 O ALA A 27 4.075 4.740 -5.058 1.00 0.00 O ATOM 446 CB ALA A 27 6.462 4.927 -6.765 1.00 0.00 C ATOM 0 H ALA A 27 4.623 6.140 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 27 5.348 3.360 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.036 4.250 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.031 5.151 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.264 5.851 -6.222 1.00 0.00 H new ATOM 452 N LEU A 28 4.054 2.619 -5.784 1.00 0.00 N ATOM 453 CA LEU A 28 3.334 2.124 -4.631 1.00 0.00 C ATOM 454 C LEU A 28 4.307 1.866 -3.490 1.00 0.00 C ATOM 455 O LEU A 28 5.245 1.081 -3.624 1.00 0.00 O ATOM 456 CB LEU A 28 2.563 0.851 -4.988 1.00 0.00 C ATOM 457 CG LEU A 28 1.739 0.939 -6.276 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.496 0.327 -7.446 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.386 0.266 -6.094 1.00 0.00 C ATOM 0 H LEU A 28 4.283 1.907 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 28 2.612 2.875 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.272 0.028 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.896 0.604 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 28 1.568 1.992 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.891 0.401 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.434 0.862 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.706 -0.722 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.184 0.339 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.533 -0.784 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.161 0.760 -5.291 1.00 0.00 H new ATOM 471 N ASN A 29 4.096 2.553 -2.382 1.00 0.00 N ATOM 472 CA ASN A 29 4.963 2.440 -1.226 1.00 0.00 C ATOM 473 C ASN A 29 4.244 1.659 -0.140 1.00 0.00 C ATOM 474 O ASN A 29 3.011 1.598 -0.133 1.00 0.00 O ATOM 475 CB ASN A 29 5.331 3.836 -0.718 1.00 0.00 C ATOM 476 CG ASN A 29 6.303 4.549 -1.640 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.502 4.514 -1.427 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.796 5.184 -2.686 1.00 0.00 N ATOM 0 H ASN A 29 3.320 3.204 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 29 5.878 1.916 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.425 4.434 -0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.771 3.754 0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.414 5.662 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.787 5.195 -2.836 1.00 0.00 H new ATOM 485 N PRO A 30 4.982 1.037 0.783 1.00 0.00 N ATOM 486 CA PRO A 30 4.371 0.309 1.882 1.00 0.00 C ATOM 487 C PRO A 30 3.686 1.261 2.852 1.00 0.00 C ATOM 488 O PRO A 30 4.009 2.450 2.903 1.00 0.00 O ATOM 489 CB PRO A 30 5.546 -0.402 2.554 1.00 0.00 C ATOM 490 CG PRO A 30 6.737 0.415 2.201 1.00 0.00 C ATOM 491 CD PRO A 30 6.455 1.003 0.841 1.00 0.00 C ATOM 0 HA PRO A 30 3.598 -0.383 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.410 -0.457 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.648 -1.426 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.903 1.201 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.638 -0.198 2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.884 1.999 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.875 0.390 0.043 1.00 0.00 H new ATOM 499 N ILE A 31 2.743 0.736 3.615 1.00 0.00 N ATOM 500 CA ILE A 31 2.025 1.528 4.608 1.00 0.00 C ATOM 501 C ILE A 31 2.987 2.080 5.671 1.00 0.00 C ATOM 502 O ILE A 31 2.643 2.992 6.422 1.00 0.00 O ATOM 503 CB ILE A 31 0.907 0.698 5.294 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.483 -0.374 6.241 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.019 0.052 4.237 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.181 -1.530 5.548 1.00 0.00 C ATOM 0 H ILE A 31 2.453 -0.241 3.568 1.00 0.00 H new ATOM 0 HA ILE A 31 1.562 2.363 4.081 1.00 0.00 H new ATOM 0 HB ILE A 31 0.311 1.379 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.189 0.104 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.673 -0.772 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.764 -0.529 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.436 0.827 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.620 -0.605 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.552 -2.231 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.476 -2.039 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.017 -1.151 4.960 1.00 0.00 H new ATOM 518 N ARG A 32 4.198 1.524 5.712 1.00 0.00 N ATOM 519 CA ARG A 32 5.214 1.935 6.676 1.00 0.00 C ATOM 520 C ARG A 32 6.058 3.091 6.150 1.00 0.00 C ATOM 521 O ARG A 32 6.701 3.800 6.924 1.00 0.00 O ATOM 522 CB ARG A 32 6.132 0.762 7.008 1.00 0.00 C ATOM 523 CG ARG A 32 5.413 -0.422 7.623 1.00 0.00 C ATOM 524 CD ARG A 32 4.722 -0.042 8.924 1.00 0.00 C ATOM 525 NE ARG A 32 5.649 0.556 9.885 1.00 0.00 N ATOM 526 CZ ARG A 32 5.338 0.839 11.148 1.00 0.00 C ATOM 527 NH1 ARG A 32 4.119 0.595 11.615 1.00 0.00 N ATOM 528 NH2 ARG A 32 6.248 1.377 11.947 1.00 0.00 N ATOM 0 H ARG A 32 4.499 0.781 5.082 1.00 0.00 H new ATOM 0 HA ARG A 32 4.692 2.268 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.635 0.437 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.907 1.102 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.676 -0.808 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.126 -1.225 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.915 0.660 8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.266 -0.929 9.364 1.00 0.00 H new ATOM 0 HE ARG A 32 6.594 0.770 9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.411 0.187 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.891 0.815 12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.185 1.573 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.012 1.595 12.915 1.00 0.00 H new ATOM 542 N ALA A 33 6.063 3.275 4.836 1.00 0.00 N ATOM 543 CA ALA A 33 6.875 4.314 4.222 1.00 0.00 C ATOM 544 C ALA A 33 6.286 5.683 4.495 1.00 0.00 C ATOM 545 O ALA A 33 5.071 5.845 4.529 1.00 0.00 O ATOM 546 CB ALA A 33 6.995 4.093 2.725 1.00 0.00 C ATOM 0 H ALA A 33 5.516 2.720 4.178 1.00 0.00 H new ATOM 0 HA ALA A 33 7.871 4.264 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.607 4.883 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.462 3.126 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.003 4.111 2.274 1.00 0.00 H new ATOM 552 N THR A 34 7.147 6.660 4.690 1.00 0.00 N ATOM 553 CA THR A 34 6.707 8.014 4.958 1.00 0.00 C ATOM 554 C THR A 34 6.415 8.756 3.658 1.00 0.00 C ATOM 555 O THR A 34 5.549 9.632 3.610 1.00 0.00 O ATOM 556 CB THR A 34 7.765 8.775 5.798 1.00 0.00 C ATOM 557 OG1 THR A 34 7.407 10.154 5.962 1.00 0.00 O ATOM 558 CG2 THR A 34 9.140 8.676 5.152 1.00 0.00 C ATOM 0 H THR A 34 8.160 6.541 4.668 1.00 0.00 H new ATOM 0 HA THR A 34 5.783 7.964 5.534 1.00 0.00 H new ATOM 0 HB THR A 34 7.798 8.306 6.782 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.091 10.608 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.867 9.217 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.434 7.629 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.105 9.111 4.153 1.00 0.00 H new ATOM 566 N LYS A 35 7.107 8.377 2.596 1.00 0.00 N ATOM 567 CA LYS A 35 6.905 9.006 1.311 1.00 0.00 C ATOM 568 C LYS A 35 7.344 8.087 0.189 1.00 0.00 C ATOM 569 O LYS A 35 7.717 6.941 0.421 1.00 0.00 O ATOM 570 CB LYS A 35 7.666 10.331 1.234 1.00 0.00 C ATOM 571 CG LYS A 35 9.177 10.183 1.301 1.00 0.00 C ATOM 572 CD LYS A 35 9.846 11.534 1.472 1.00 0.00 C ATOM 573 CE LYS A 35 11.255 11.392 2.027 1.00 0.00 C ATOM 574 NZ LYS A 35 11.803 12.692 2.491 1.00 0.00 N ATOM 0 H LYS A 35 7.811 7.639 2.603 1.00 0.00 H new ATOM 0 HA LYS A 35 5.840 9.208 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.402 10.836 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.338 10.974 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.446 9.532 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.540 9.705 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.882 12.047 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.251 12.154 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.249 10.684 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.907 10.977 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.764 12.551 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.833 13.360 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.195 13.077 3.242 1.00 0.00 H new ATOM 588 N CYS A 36 7.287 8.612 -1.019 1.00 0.00 N ATOM 589 CA CYS A 36 7.680 7.882 -2.207 1.00 0.00 C ATOM 590 C CYS A 36 9.142 7.482 -2.154 1.00 0.00 C ATOM 591 O CYS A 36 10.015 8.327 -1.964 1.00 0.00 O ATOM 592 CB CYS A 36 7.460 8.761 -3.411 1.00 0.00 C ATOM 593 SG CYS A 36 7.843 7.989 -5.008 1.00 0.00 S ATOM 0 H CYS A 36 6.965 9.562 -1.204 1.00 0.00 H new ATOM 0 HA CYS A 36 7.078 6.975 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.419 9.083 -3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.070 9.658 -3.303 1.00 0.00 H new ATOM 598 N ARG A 37 9.403 6.206 -2.351 1.00 0.00 N ATOM 599 CA ARG A 37 10.766 5.700 -2.390 1.00 0.00 C ATOM 600 C ARG A 37 11.398 5.913 -3.761 1.00 0.00 C ATOM 601 O ARG A 37 12.456 5.367 -4.057 1.00 0.00 O ATOM 602 CB ARG A 37 10.786 4.214 -1.990 1.00 0.00 C ATOM 603 CG ARG A 37 9.831 3.341 -2.796 1.00 0.00 C ATOM 604 CD ARG A 37 9.431 2.086 -2.031 1.00 0.00 C ATOM 605 NE ARG A 37 8.358 1.343 -2.694 1.00 0.00 N ATOM 606 CZ ARG A 37 8.445 0.056 -3.037 1.00 0.00 C ATOM 607 NH1 ARG A 37 9.590 -0.600 -2.891 1.00 0.00 N ATOM 608 NH2 ARG A 37 7.395 -0.563 -3.553 1.00 0.00 N ATOM 0 H ARG A 37 8.686 5.494 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 37 11.364 6.261 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.799 3.830 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.534 4.130 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.938 3.914 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.303 3.058 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.301 1.439 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.110 2.363 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 37 7.492 1.838 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.408 -0.121 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.652 -1.583 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.520 -0.057 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.461 -1.546 -3.815 1.00 0.00 H new ATOM 622 N ARG A 38 10.750 6.721 -4.593 1.00 0.00 N ATOM 623 CA ARG A 38 11.301 7.049 -5.906 1.00 0.00 C ATOM 624 C ARG A 38 11.578 8.545 -6.055 1.00 0.00 C ATOM 625 O ARG A 38 12.628 8.933 -6.562 1.00 0.00 O ATOM 626 CB ARG A 38 10.391 6.552 -7.037 1.00 0.00 C ATOM 627 CG ARG A 38 10.525 5.058 -7.314 1.00 0.00 C ATOM 628 CD ARG A 38 9.975 4.221 -6.171 1.00 0.00 C ATOM 629 NE ARG A 38 10.515 2.863 -6.151 1.00 0.00 N ATOM 630 CZ ARG A 38 9.821 1.770 -6.463 1.00 0.00 C ATOM 631 NH1 ARG A 38 8.621 1.865 -7.014 1.00 0.00 N ATOM 632 NH2 ARG A 38 10.351 0.570 -6.265 1.00 0.00 N ATOM 0 H ARG A 38 9.852 7.158 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 38 12.256 6.528 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.355 6.775 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.622 7.104 -7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.995 4.810 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.574 4.811 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.204 4.712 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.889 4.174 -6.251 1.00 0.00 H new ATOM 0 HE ARG A 38 11.491 2.744 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.218 2.783 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.099 1.021 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.289 0.485 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.820 -0.268 -6.504 1.00 0.00 H new ATOM 646 N CYS A 39 10.660 9.394 -5.602 1.00 0.00 N ATOM 647 CA CYS A 39 10.871 10.841 -5.736 1.00 0.00 C ATOM 648 C CYS A 39 10.787 11.562 -4.396 1.00 0.00 C ATOM 649 O CYS A 39 11.066 12.755 -4.325 1.00 0.00 O ATOM 650 CB CYS A 39 9.920 11.492 -6.766 1.00 0.00 C ATOM 651 SG CYS A 39 8.136 11.396 -6.380 1.00 0.00 S ATOM 0 H CYS A 39 9.786 9.122 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 39 11.886 10.955 -6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.193 12.542 -6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.088 11.021 -7.735 1.00 0.00 H new ATOM 656 N HIS A 40 10.416 10.842 -3.326 1.00 0.00 N ATOM 657 CA HIS A 40 10.449 11.407 -1.971 1.00 0.00 C ATOM 658 C HIS A 40 9.648 12.708 -1.887 1.00 0.00 C ATOM 659 O HIS A 40 10.045 13.654 -1.215 1.00 0.00 O ATOM 660 CB HIS A 40 11.899 11.668 -1.546 1.00 0.00 C ATOM 661 CG HIS A 40 12.787 10.464 -1.631 1.00 0.00 C ATOM 662 ND1 HIS A 40 13.853 10.371 -2.497 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.764 9.301 -0.942 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.450 9.207 -2.335 1.00 0.00 C ATOM 665 NE2 HIS A 40 13.810 8.535 -1.396 1.00 0.00 N ATOM 0 H HIS A 40 10.093 9.876 -3.373 1.00 0.00 H new ATOM 0 HA HIS A 40 9.993 10.682 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.314 12.457 -2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.905 12.039 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.054 9.025 -0.176 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.317 8.861 -2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.052 7.602 -1.063 1.00 0.00 H new ATOM 674 N SER A 41 8.495 12.722 -2.529 1.00 0.00 N ATOM 675 CA SER A 41 7.717 13.949 -2.678 1.00 0.00 C ATOM 676 C SER A 41 6.524 13.969 -1.732 1.00 0.00 C ATOM 677 O SER A 41 5.685 14.862 -1.805 1.00 0.00 O ATOM 678 CB SER A 41 7.238 14.089 -4.124 1.00 0.00 C ATOM 679 OG SER A 41 8.333 14.188 -5.013 1.00 0.00 O ATOM 0 H SER A 41 8.072 11.899 -2.958 1.00 0.00 H new ATOM 0 HA SER A 41 8.362 14.790 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.624 13.229 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.607 14.973 -4.218 1.00 0.00 H new ATOM 0 HG SER A 41 8.315 13.434 -5.639 1.00 0.00 H new ATOM 685 N THR A 42 6.466 12.968 -0.852 1.00 0.00 N ATOM 686 CA THR A 42 5.385 12.818 0.135 1.00 0.00 C ATOM 687 C THR A 42 3.990 12.891 -0.498 1.00 0.00 C ATOM 688 O THR A 42 2.998 13.128 0.189 1.00 0.00 O ATOM 689 CB THR A 42 5.497 13.866 1.270 1.00 0.00 C ATOM 690 OG1 THR A 42 5.342 15.199 0.762 1.00 0.00 O ATOM 691 CG2 THR A 42 6.840 13.748 1.968 1.00 0.00 C ATOM 0 H THR A 42 7.170 12.232 -0.800 1.00 0.00 H new ATOM 0 HA THR A 42 5.509 11.821 0.558 1.00 0.00 H new ATOM 0 HB THR A 42 4.697 13.668 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.088 15.161 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.903 14.491 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.942 12.750 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.640 13.918 1.248 1.00 0.00 H new ATOM 699 N ASN A 43 3.916 12.647 -1.801 1.00 0.00 N ATOM 700 CA ASN A 43 2.652 12.716 -2.517 1.00 0.00 C ATOM 701 C ASN A 43 2.185 11.326 -2.904 1.00 0.00 C ATOM 702 O ASN A 43 2.354 10.883 -4.045 1.00 0.00 O ATOM 703 CB ASN A 43 2.764 13.611 -3.754 1.00 0.00 C ATOM 704 CG ASN A 43 2.306 15.033 -3.485 1.00 0.00 C ATOM 705 OD1 ASN A 43 1.130 15.352 -3.638 1.00 0.00 O ATOM 706 ND2 ASN A 43 3.224 15.897 -3.082 1.00 0.00 N ATOM 0 H ASN A 43 4.717 12.400 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 43 1.912 13.159 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.799 13.624 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.167 13.187 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.964 16.864 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.192 15.596 -2.966 1.00 0.00 H new ATOM 713 N LEU A 44 1.647 10.627 -1.925 1.00 0.00 N ATOM 714 CA LEU A 44 1.111 9.294 -2.132 1.00 0.00 C ATOM 715 C LEU A 44 -0.386 9.309 -1.869 1.00 0.00 C ATOM 716 O LEU A 44 -0.895 10.227 -1.226 1.00 0.00 O ATOM 717 CB LEU A 44 1.788 8.302 -1.179 1.00 0.00 C ATOM 718 CG LEU A 44 3.292 8.506 -0.977 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.821 7.580 0.110 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.045 8.285 -2.278 1.00 0.00 C ATOM 0 H LEU A 44 1.568 10.964 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 44 1.302 8.986 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.297 8.364 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.623 7.292 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 44 3.454 9.536 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.891 7.742 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.309 7.791 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.642 6.544 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.112 8.435 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.872 7.268 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.692 8.993 -3.028 1.00 0.00 H new ATOM 732 N ARG A 45 -1.092 8.320 -2.379 1.00 0.00 N ATOM 733 CA ARG A 45 -2.497 8.145 -2.053 1.00 0.00 C ATOM 734 C ARG A 45 -2.785 6.682 -1.748 1.00 0.00 C ATOM 735 O ARG A 45 -2.541 5.804 -2.576 1.00 0.00 O ATOM 736 CB ARG A 45 -3.411 8.657 -3.175 1.00 0.00 C ATOM 737 CG ARG A 45 -3.097 8.104 -4.556 1.00 0.00 C ATOM 738 CD ARG A 45 -2.309 9.108 -5.385 1.00 0.00 C ATOM 739 NE ARG A 45 -2.051 8.633 -6.747 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.619 9.159 -7.838 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.535 10.114 -7.718 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.278 8.722 -9.045 1.00 0.00 N ATOM 0 H ARG A 45 -0.717 7.623 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.711 8.741 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.443 8.409 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.345 9.744 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.526 7.180 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.025 7.853 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.859 10.048 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.360 9.317 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.401 7.857 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.806 10.447 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.967 10.514 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.581 7.983 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.713 9.125 -9.875 1.00 0.00 H new ATOM 756 N LEU A 46 -3.270 6.428 -0.543 1.00 0.00 N ATOM 757 CA LEU A 46 -3.577 5.075 -0.110 1.00 0.00 C ATOM 758 C LEU A 46 -4.915 4.642 -0.691 1.00 0.00 C ATOM 759 O LEU A 46 -5.914 5.355 -0.566 1.00 0.00 O ATOM 760 CB LEU A 46 -3.592 5.004 1.421 1.00 0.00 C ATOM 761 CG LEU A 46 -3.588 3.592 2.016 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.634 3.517 3.194 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.987 3.185 2.448 1.00 0.00 C ATOM 0 H LEU A 46 -3.460 7.146 0.156 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.807 4.394 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.723 5.542 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.476 5.529 1.783 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.250 2.899 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.643 2.508 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.626 3.765 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.947 4.224 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.960 2.179 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.353 3.883 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.653 3.201 1.585 1.00 0.00 H new ATOM 775 N LYS A 47 -4.921 3.487 -1.343 1.00 0.00 N ATOM 776 CA LYS A 47 -6.117 2.988 -2.008 1.00 0.00 C ATOM 777 C LYS A 47 -7.216 2.659 -1.006 1.00 0.00 C ATOM 778 O LYS A 47 -6.944 2.260 0.126 1.00 0.00 O ATOM 779 CB LYS A 47 -5.793 1.752 -2.848 1.00 0.00 C ATOM 780 CG LYS A 47 -4.917 2.042 -4.054 1.00 0.00 C ATOM 781 CD LYS A 47 -4.765 0.811 -4.932 1.00 0.00 C ATOM 782 CE LYS A 47 -4.045 1.135 -6.230 1.00 0.00 C ATOM 783 NZ LYS A 47 -4.035 -0.024 -7.159 1.00 0.00 N ATOM 0 H LYS A 47 -4.108 2.876 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.479 3.780 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.294 1.016 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.725 1.301 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.352 2.855 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.935 2.378 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.212 0.043 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.749 0.398 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.530 1.984 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.020 1.435 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.535 0.236 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.550 -0.826 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.013 -0.295 -7.387 1.00 0.00 H new ATOM 797 N LYS A 48 -8.458 2.827 -1.437 1.00 0.00 N ATOM 798 CA LYS A 48 -9.604 2.573 -0.582 1.00 0.00 C ATOM 799 C LYS A 48 -9.817 1.075 -0.430 1.00 0.00 C ATOM 800 O LYS A 48 -9.498 0.303 -1.334 1.00 0.00 O ATOM 801 CB LYS A 48 -10.855 3.222 -1.173 1.00 0.00 C ATOM 802 CG LYS A 48 -11.795 3.837 -0.145 1.00 0.00 C ATOM 803 CD LYS A 48 -11.262 5.162 0.382 1.00 0.00 C ATOM 804 CE LYS A 48 -10.416 4.998 1.636 1.00 0.00 C ATOM 805 NZ LYS A 48 -11.230 4.602 2.816 1.00 0.00 N ATOM 0 H LYS A 48 -8.696 3.140 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.414 3.006 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.549 3.997 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.402 2.472 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.776 3.992 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.931 3.143 0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.666 5.643 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.099 5.826 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.648 4.246 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.901 5.935 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.689 4.779 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.108 5.159 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.463 3.591 2.753 1.00 0.00 H new ATOM 819 N LYS A 49 -10.359 0.671 0.707 1.00 0.00 N ATOM 820 CA LYS A 49 -10.547 -0.741 1.000 1.00 0.00 C ATOM 821 C LYS A 49 -11.749 -1.307 0.263 1.00 0.00 C ATOM 822 O LYS A 49 -12.680 -0.579 -0.093 1.00 0.00 O ATOM 823 CB LYS A 49 -10.690 -0.962 2.506 1.00 0.00 C ATOM 824 CG LYS A 49 -9.378 -0.822 3.255 1.00 0.00 C ATOM 825 CD LYS A 49 -8.365 -1.844 2.766 1.00 0.00 C ATOM 826 CE LYS A 49 -8.821 -3.264 3.059 1.00 0.00 C ATOM 827 NZ LYS A 49 -8.021 -4.268 2.311 1.00 0.00 N ATOM 0 H LYS A 49 -10.677 1.301 1.443 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.662 -1.273 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.408 -0.246 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.099 -1.957 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.981 0.184 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.548 -0.955 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.214 -1.723 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.403 -1.663 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.739 -3.458 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.873 -3.369 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.731 -5.031 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.596 -4.666 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.176 -3.811 1.912 1.00 0.00 H new ATOM 841 N GLU A 50 -11.711 -2.611 0.035 1.00 0.00 N ATOM 842 CA GLU A 50 -12.768 -3.307 -0.679 1.00 0.00 C ATOM 843 C GLU A 50 -14.010 -3.463 0.197 1.00 0.00 C ATOM 844 O GLU A 50 -14.060 -2.974 1.330 1.00 0.00 O ATOM 845 CB GLU A 50 -12.289 -4.690 -1.136 1.00 0.00 C ATOM 846 CG GLU A 50 -10.877 -4.704 -1.701 1.00 0.00 C ATOM 847 CD GLU A 50 -9.832 -5.034 -0.650 1.00 0.00 C ATOM 848 OE1 GLU A 50 -9.400 -4.121 0.084 1.00 0.00 O ATOM 849 OE2 GLU A 50 -9.447 -6.220 -0.542 1.00 0.00 O ATOM 0 H GLU A 50 -10.947 -3.215 0.340 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.027 -2.709 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.337 -5.377 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.975 -5.068 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.819 -5.435 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.654 -3.730 -2.137 1.00 0.00 H new ATOM 856 N LEU A 51 -15.004 -4.158 -0.336 1.00 0.00 N ATOM 857 CA LEU A 51 -16.252 -4.383 0.376 1.00 0.00 C ATOM 858 C LEU A 51 -16.133 -5.588 1.298 1.00 0.00 C ATOM 859 O LEU A 51 -15.297 -6.469 1.077 1.00 0.00 O ATOM 860 CB LEU A 51 -17.419 -4.607 -0.596 1.00 0.00 C ATOM 861 CG LEU A 51 -17.812 -3.411 -1.468 1.00 0.00 C ATOM 862 CD1 LEU A 51 -16.806 -3.196 -2.589 1.00 0.00 C ATOM 863 CD2 LEU A 51 -19.209 -3.618 -2.030 1.00 0.00 C ATOM 0 H LEU A 51 -14.969 -4.578 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.453 -3.489 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.164 -5.440 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.292 -4.912 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.811 -2.515 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -17.110 -2.340 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.821 -3.007 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -16.765 -4.086 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.482 -2.764 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.227 -4.525 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -19.921 -3.714 -1.210 1.00 0.00 H new ATOM 875 N PRO A 52 -16.970 -5.642 2.342 1.00 0.00 N ATOM 876 CA PRO A 52 -16.992 -6.767 3.274 1.00 0.00 C ATOM 877 C PRO A 52 -17.371 -8.071 2.581 1.00 0.00 C ATOM 878 O PRO A 52 -18.114 -8.073 1.598 1.00 0.00 O ATOM 879 CB PRO A 52 -18.058 -6.381 4.306 1.00 0.00 C ATOM 880 CG PRO A 52 -18.255 -4.913 4.141 1.00 0.00 C ATOM 881 CD PRO A 52 -17.954 -4.611 2.701 1.00 0.00 C ATOM 0 HA PRO A 52 -16.012 -6.943 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -18.987 -6.924 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.731 -6.622 5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.276 -4.626 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.593 -4.354 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.848 -4.674 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.549 -3.607 2.576 1.00 0.00 H new ATOM 889 N THR A 53 -16.850 -9.176 3.086 1.00 0.00 N ATOM 890 CA THR A 53 -17.133 -10.481 2.517 1.00 0.00 C ATOM 891 C THR A 53 -18.474 -11.010 3.028 1.00 0.00 C ATOM 892 O THR A 53 -18.774 -10.901 4.219 1.00 0.00 O ATOM 893 CB THR A 53 -16.011 -11.478 2.865 1.00 0.00 C ATOM 894 OG1 THR A 53 -14.743 -10.922 2.491 1.00 0.00 O ATOM 895 CG2 THR A 53 -16.212 -12.806 2.151 1.00 0.00 C ATOM 0 H THR A 53 -16.226 -9.194 3.893 1.00 0.00 H new ATOM 0 HA THR A 53 -17.186 -10.374 1.434 1.00 0.00 H new ATOM 0 HB THR A 53 -16.038 -11.660 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.029 -11.556 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.404 -13.488 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.166 -13.239 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.210 -12.644 1.073 1.00 0.00 H new ATOM 903 N LYS A 54 -19.282 -11.553 2.124 1.00 0.00 N ATOM 904 CA LYS A 54 -20.568 -12.125 2.496 1.00 0.00 C ATOM 905 C LYS A 54 -20.364 -13.401 3.305 1.00 0.00 C ATOM 906 O LYS A 54 -19.762 -14.362 2.829 1.00 0.00 O ATOM 907 CB LYS A 54 -21.409 -12.410 1.247 1.00 0.00 C ATOM 908 CG LYS A 54 -22.753 -13.055 1.550 1.00 0.00 C ATOM 909 CD LYS A 54 -23.627 -13.162 0.308 1.00 0.00 C ATOM 910 CE LYS A 54 -24.037 -11.790 -0.209 1.00 0.00 C ATOM 911 NZ LYS A 54 -25.018 -11.881 -1.321 1.00 0.00 N ATOM 0 H LYS A 54 -19.068 -11.608 1.128 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.104 -11.404 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.577 -11.476 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -20.845 -13.062 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -22.592 -14.049 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.272 -12.471 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.087 -13.699 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.518 -13.746 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.468 -11.210 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.152 -11.253 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.269 -10.924 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.599 -12.412 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.874 -12.371 -0.990 1.00 0.00 H new ATOM 925 N LYS A 55 -20.853 -13.394 4.533 1.00 0.00 N ATOM 926 CA LYS A 55 -20.710 -14.533 5.426 1.00 0.00 C ATOM 927 C LYS A 55 -22.058 -14.899 6.029 1.00 0.00 C ATOM 928 O LYS A 55 -22.939 -14.047 6.159 1.00 0.00 O ATOM 929 CB LYS A 55 -19.704 -14.221 6.537 1.00 0.00 C ATOM 930 CG LYS A 55 -18.295 -13.951 6.027 1.00 0.00 C ATOM 931 CD LYS A 55 -17.340 -13.612 7.162 1.00 0.00 C ATOM 932 CE LYS A 55 -17.200 -14.767 8.144 1.00 0.00 C ATOM 933 NZ LYS A 55 -16.251 -14.448 9.242 1.00 0.00 N ATOM 0 H LYS A 55 -21.357 -12.605 4.938 1.00 0.00 H new ATOM 0 HA LYS A 55 -20.339 -15.380 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -20.051 -13.352 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.675 -15.058 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.928 -14.827 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.318 -13.128 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.361 -13.362 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.700 -12.728 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.176 -15.005 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.856 -15.655 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.183 -15.259 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.313 -14.245 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.592 -13.616 9.765 1.00 0.00 H new ATOM 947 N GLY A 56 -22.215 -16.161 6.387 1.00 0.00 N ATOM 948 CA GLY A 56 -23.464 -16.629 6.945 1.00 0.00 C ATOM 949 C GLY A 56 -23.533 -18.139 6.952 1.00 0.00 C ATOM 950 O GLY A 56 -24.644 -18.688 6.820 1.00 0.00 O ATOM 951 OXT GLY A 56 -22.471 -18.782 7.081 1.00 0.00 O ATOM 0 H GLY A 56 -21.493 -16.876 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.573 -16.253 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -24.296 -16.228 6.366 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.162 9.333 -6.746 1.00 0.00 ZN