USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 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 47 SER OG : rot -74:sc= 1.97 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.101 USER MOD Set 1.3: A 54 GLN : amide:sc= -2.92! C(o=-0.85!,f=-5.5!) USER MOD Set 2.1: A 43 MET CE :methyl -164:sc= -1.04 (180deg=-1.44) USER MOD Set 2.2: A 50 THR OG1 : rot 125:sc= 0.0511 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.018 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.279) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 1.23 (180deg=0.201) USER MOD Single : A 22 SER OG : rot 79:sc=0.000323 USER MOD Single : A 23 SER OG : rot 83:sc= 0.404 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.78 (180deg=1.78) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.0517 K(o=0.052,f=-4!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0.512 (180deg=0.107) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.33) USER MOD Single : A 65 TYR OH : rot -105:sc= 1.8 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -3.964 9.017 -6.183 1.00 0.00 N ATOM 14 CA ASN A 2 -2.864 8.080 -6.355 1.00 0.00 C ATOM 15 C ASN A 2 -3.077 7.045 -5.272 1.00 0.00 C ATOM 16 O ASN A 2 -3.340 7.427 -4.128 1.00 0.00 O ATOM 17 CB ASN A 2 -1.455 8.661 -6.128 1.00 0.00 C ATOM 18 CG ASN A 2 -1.262 10.140 -6.357 1.00 0.00 C ATOM 19 OD1 ASN A 2 -0.902 10.865 -5.431 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.450 10.616 -7.571 1.00 0.00 N ATOM 0 HA ASN A 2 -2.883 7.726 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.162 8.439 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.763 8.127 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.297 11.607 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.749 9.994 -8.322 1.00 0.00 H new ATOM 27 N VAL A 3 -2.958 5.771 -5.619 1.00 0.00 N ATOM 28 CA VAL A 3 -3.105 4.682 -4.670 1.00 0.00 C ATOM 29 C VAL A 3 -1.896 3.824 -4.864 1.00 0.00 C ATOM 30 O VAL A 3 -1.863 2.944 -5.717 1.00 0.00 O ATOM 31 CB VAL A 3 -4.442 3.961 -4.810 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.544 2.809 -3.800 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.508 5.012 -4.530 1.00 0.00 C ATOM 0 H VAL A 3 -2.756 5.465 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.144 5.032 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.559 3.523 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.505 2.307 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.739 2.096 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.461 3.204 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.496 4.559 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.374 5.407 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.418 5.823 -5.252 1.00 0.00 H new ATOM 43 N GLU A 4 -0.879 4.166 -4.097 1.00 0.00 N ATOM 44 CA GLU A 4 0.448 3.649 -4.268 1.00 0.00 C ATOM 45 C GLU A 4 0.706 2.622 -3.175 1.00 0.00 C ATOM 46 O GLU A 4 0.514 2.940 -2.003 1.00 0.00 O ATOM 47 CB GLU A 4 1.394 4.864 -4.227 1.00 0.00 C ATOM 48 CG GLU A 4 1.461 5.607 -5.567 1.00 0.00 C ATOM 49 CD GLU A 4 2.302 6.881 -5.458 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.544 6.789 -5.316 1.00 0.00 O ATOM 51 OE2 GLU A 4 1.720 7.989 -5.533 1.00 0.00 O ATOM 0 H GLU A 4 -0.963 4.826 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 4 0.603 3.130 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.061 5.553 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.394 4.531 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.887 4.952 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.453 5.862 -5.894 1.00 0.00 H new ATOM 58 N ILE A 5 1.083 1.389 -3.537 1.00 0.00 N ATOM 59 CA ILE A 5 1.181 0.279 -2.592 1.00 0.00 C ATOM 60 C ILE A 5 2.557 -0.390 -2.657 1.00 0.00 C ATOM 61 O ILE A 5 2.868 -1.155 -3.573 1.00 0.00 O ATOM 62 CB ILE A 5 -0.060 -0.641 -2.650 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.076 -1.508 -1.368 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.206 -1.517 -3.903 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.296 -2.425 -1.218 1.00 0.00 C ATOM 0 H ILE A 5 1.328 1.137 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 5 1.141 0.661 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.923 0.022 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.825 -2.122 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.028 -0.849 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.114 -2.116 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.266 -0.881 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.657 -2.177 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.214 -2.990 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.204 -1.822 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.338 -3.115 -2.061 1.00 0.00 H new ATOM 77 N TYR A 6 3.419 -0.077 -1.690 1.00 0.00 N ATOM 78 CA TYR A 6 4.767 -0.633 -1.639 1.00 0.00 C ATOM 79 C TYR A 6 4.690 -2.094 -1.198 1.00 0.00 C ATOM 80 O TYR A 6 3.861 -2.419 -0.345 1.00 0.00 O ATOM 81 CB TYR A 6 5.652 0.178 -0.687 1.00 0.00 C ATOM 82 CG TYR A 6 5.963 1.586 -1.160 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.006 2.613 -1.036 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.219 1.871 -1.728 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.293 3.913 -1.481 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.526 3.176 -2.147 1.00 0.00 C ATOM 87 CZ TYR A 6 6.558 4.197 -2.036 1.00 0.00 C ATOM 88 OH TYR A 6 6.846 5.445 -2.488 1.00 0.00 O ATOM 0 H TYR A 6 3.203 0.564 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 6 5.216 -0.581 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.161 0.235 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.590 -0.357 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.044 2.398 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.949 1.083 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.549 4.692 -1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.502 3.398 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 6 7.762 5.463 -2.837 1.00 0.00 H new ATOM 98 N THR A 7 5.529 -2.973 -1.761 1.00 0.00 N ATOM 99 CA THR A 7 5.500 -4.424 -1.522 1.00 0.00 C ATOM 100 C THR A 7 6.906 -5.048 -1.695 1.00 0.00 C ATOM 101 O THR A 7 7.821 -4.356 -2.133 1.00 0.00 O ATOM 102 CB THR A 7 4.485 -5.068 -2.493 1.00 0.00 C ATOM 103 OG1 THR A 7 4.766 -4.705 -3.832 1.00 0.00 O ATOM 104 CG2 THR A 7 3.022 -4.684 -2.236 1.00 0.00 C ATOM 0 H THR A 7 6.263 -2.690 -2.410 1.00 0.00 H new ATOM 0 HA THR A 7 5.191 -4.614 -0.494 1.00 0.00 H new ATOM 0 HB THR A 7 4.599 -6.138 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.112 -5.125 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.382 -5.182 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.736 -4.993 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.907 -3.604 -2.330 1.00 0.00 H new ATOM 112 N LYS A 8 7.112 -6.327 -1.343 1.00 0.00 N ATOM 113 CA LYS A 8 8.313 -7.124 -1.669 1.00 0.00 C ATOM 114 C LYS A 8 7.830 -8.496 -2.134 1.00 0.00 C ATOM 115 O LYS A 8 6.637 -8.791 -2.025 1.00 0.00 O ATOM 116 CB LYS A 8 9.396 -7.239 -0.559 1.00 0.00 C ATOM 117 CG LYS A 8 8.971 -6.806 0.845 1.00 0.00 C ATOM 118 CD LYS A 8 9.957 -7.033 2.008 1.00 0.00 C ATOM 119 CE LYS A 8 10.270 -8.522 2.257 1.00 0.00 C ATOM 120 NZ LYS A 8 11.460 -9.016 1.524 1.00 0.00 N ATOM 0 H LYS A 8 6.426 -6.856 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 8 8.850 -6.587 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.730 -8.276 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.257 -6.640 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.738 -5.742 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.045 -7.327 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.886 -6.503 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.542 -6.599 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.423 -8.677 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.404 -9.118 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.340 -10.026 1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.567 -8.483 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.308 -8.885 2.111 1.00 0.00 H new ATOM 134 N GLU A 9 8.758 -9.336 -2.596 1.00 0.00 N ATOM 135 CA GLU A 9 8.483 -10.588 -3.298 1.00 0.00 C ATOM 136 C GLU A 9 7.574 -11.526 -2.512 1.00 0.00 C ATOM 137 O GLU A 9 6.659 -12.122 -3.079 1.00 0.00 O ATOM 138 CB GLU A 9 9.788 -11.274 -3.720 1.00 0.00 C ATOM 139 CG GLU A 9 10.762 -11.617 -2.579 1.00 0.00 C ATOM 140 CD GLU A 9 11.253 -13.060 -2.664 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.413 -13.982 -2.556 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.472 -13.281 -2.846 1.00 0.00 O ATOM 0 H GLU A 9 9.756 -9.156 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 9 7.929 -10.330 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.539 -12.194 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.303 -10.628 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.616 -10.940 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.269 -11.457 -1.620 1.00 0.00 H new ATOM 149 N THR A 10 7.753 -11.587 -1.197 1.00 0.00 N ATOM 150 CA THR A 10 6.839 -12.253 -0.296 1.00 0.00 C ATOM 151 C THR A 10 6.619 -11.318 0.891 1.00 0.00 C ATOM 152 O THR A 10 7.518 -10.554 1.265 1.00 0.00 O ATOM 153 CB THR A 10 7.365 -13.661 0.036 1.00 0.00 C ATOM 154 OG1 THR A 10 6.330 -14.449 0.587 1.00 0.00 O ATOM 155 CG2 THR A 10 8.549 -13.673 1.003 1.00 0.00 C ATOM 0 H THR A 10 8.553 -11.165 -0.726 1.00 0.00 H new ATOM 0 HA THR A 10 5.858 -12.440 -0.733 1.00 0.00 H new ATOM 0 HB THR A 10 7.717 -14.071 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.674 -15.343 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.860 -14.702 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.379 -13.115 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.254 -13.211 1.945 1.00 0.00 H new ATOM 163 N CYS A 11 5.393 -11.344 1.413 1.00 0.00 N ATOM 164 CA CYS A 11 4.828 -10.432 2.393 1.00 0.00 C ATOM 165 C CYS A 11 3.343 -10.822 2.482 1.00 0.00 C ATOM 166 O CYS A 11 2.586 -10.500 1.560 1.00 0.00 O ATOM 167 CB CYS A 11 5.028 -8.988 1.904 1.00 0.00 C ATOM 168 SG CYS A 11 4.082 -7.701 2.738 1.00 0.00 S ATOM 0 H CYS A 11 4.722 -12.061 1.137 1.00 0.00 H new ATOM 0 HA CYS A 11 5.297 -10.493 3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.086 -8.743 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.784 -8.953 0.842 1.00 0.00 H new ATOM 173 N PRO A 12 2.882 -11.536 3.527 1.00 0.00 N ATOM 174 CA PRO A 12 1.522 -12.076 3.562 1.00 0.00 C ATOM 175 C PRO A 12 0.491 -10.950 3.614 1.00 0.00 C ATOM 176 O PRO A 12 -0.593 -11.084 3.046 1.00 0.00 O ATOM 177 CB PRO A 12 1.467 -12.970 4.805 1.00 0.00 C ATOM 178 CG PRO A 12 2.508 -12.352 5.736 1.00 0.00 C ATOM 179 CD PRO A 12 3.573 -11.815 4.779 1.00 0.00 C ATOM 0 HA PRO A 12 1.283 -12.647 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.475 -12.969 5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.708 -14.006 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.079 -11.557 6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.922 -13.091 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.037 -10.913 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.369 -12.545 4.631 1.00 0.00 H new ATOM 187 N TYR A 13 0.851 -9.817 4.215 1.00 0.00 N ATOM 188 CA TYR A 13 0.009 -8.642 4.300 1.00 0.00 C ATOM 189 C TYR A 13 -0.067 -7.942 2.946 1.00 0.00 C ATOM 190 O TYR A 13 -1.133 -7.466 2.574 1.00 0.00 O ATOM 191 CB TYR A 13 0.616 -7.705 5.348 1.00 0.00 C ATOM 192 CG TYR A 13 0.611 -8.267 6.751 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.618 -8.586 7.347 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.811 -8.455 7.470 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.659 -9.058 8.662 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.771 -8.921 8.798 1.00 0.00 C ATOM 197 CZ TYR A 13 0.529 -9.210 9.407 1.00 0.00 C ATOM 198 OH TYR A 13 0.467 -9.599 10.710 1.00 0.00 O ATOM 0 H TYR A 13 1.759 -9.696 4.664 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.004 -8.925 4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.643 -7.475 5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.065 -6.765 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.535 -8.467 6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.760 -8.241 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.609 -9.308 9.112 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.689 -9.057 9.351 1.00 0.00 H new ATOM 0 HH TYR A 13 1.374 -9.657 11.078 1.00 0.00 H new ATOM 208 N CYS A 14 1.024 -7.902 2.180 1.00 0.00 N ATOM 209 CA CYS A 14 1.025 -7.345 0.835 1.00 0.00 C ATOM 210 C CYS A 14 0.071 -8.149 -0.036 1.00 0.00 C ATOM 211 O CYS A 14 -0.795 -7.563 -0.682 1.00 0.00 O ATOM 212 CB CYS A 14 2.432 -7.350 0.237 1.00 0.00 C ATOM 213 SG CYS A 14 3.699 -6.460 1.176 1.00 0.00 S ATOM 0 H CYS A 14 1.932 -8.257 2.480 1.00 0.00 H new ATOM 0 HA CYS A 14 0.693 -6.308 0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.753 -8.385 0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.381 -6.920 -0.764 1.00 0.00 H new ATOM 218 N HIS A 15 0.180 -9.480 0.032 1.00 0.00 N ATOM 219 CA HIS A 15 -0.750 -10.388 -0.614 1.00 0.00 C ATOM 220 C HIS A 15 -2.185 -10.053 -0.197 1.00 0.00 C ATOM 221 O HIS A 15 -3.000 -9.806 -1.080 1.00 0.00 O ATOM 222 CB HIS A 15 -0.332 -11.838 -0.335 1.00 0.00 C ATOM 223 CG HIS A 15 -1.290 -12.862 -0.882 1.00 0.00 C ATOM 224 ND1 HIS A 15 -1.607 -13.048 -2.214 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.964 -13.794 -0.146 1.00 0.00 C ATOM 226 CE1 HIS A 15 -2.460 -14.088 -2.278 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.705 -14.546 -1.037 1.00 0.00 N ATOM 0 H HIS A 15 0.925 -9.953 0.543 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.721 -10.267 -1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.655 -12.011 -0.765 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.240 -11.979 0.742 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.925 -13.919 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.882 -14.492 -3.186 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.330 -15.315 -0.796 1.00 0.00 H new ATOM 236 N ARG A 16 -2.503 -9.978 1.107 1.00 0.00 N ATOM 237 CA ARG A 16 -3.857 -9.648 1.558 1.00 0.00 C ATOM 238 C ARG A 16 -4.341 -8.313 0.993 1.00 0.00 C ATOM 239 O ARG A 16 -5.440 -8.248 0.452 1.00 0.00 O ATOM 240 CB ARG A 16 -3.989 -9.660 3.097 1.00 0.00 C ATOM 241 CG ARG A 16 -3.966 -11.072 3.708 1.00 0.00 C ATOM 242 CD ARG A 16 -4.783 -11.165 5.006 1.00 0.00 C ATOM 243 NE ARG A 16 -4.667 -12.502 5.611 1.00 0.00 N ATOM 244 CZ ARG A 16 -5.599 -13.224 6.242 1.00 0.00 C ATOM 245 NH1 ARG A 16 -6.824 -12.755 6.447 1.00 0.00 N ATOM 246 NH2 ARG A 16 -5.282 -14.442 6.660 1.00 0.00 N ATOM 0 H ARG A 16 -1.838 -10.142 1.863 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.500 -10.436 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.177 -9.074 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.920 -9.168 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.360 -11.785 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.934 -11.360 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.436 -10.411 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.830 -10.947 4.797 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.748 -12.938 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.074 -11.822 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.515 -13.328 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.344 -14.809 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.976 -15.012 7.144 1.00 0.00 H new ATOM 260 N ALA A 17 -3.558 -7.242 1.118 1.00 0.00 N ATOM 261 CA ALA A 17 -3.990 -5.918 0.694 1.00 0.00 C ATOM 262 C ALA A 17 -4.170 -5.863 -0.822 1.00 0.00 C ATOM 263 O ALA A 17 -5.215 -5.412 -1.278 1.00 0.00 O ATOM 264 CB ALA A 17 -2.982 -4.857 1.155 1.00 0.00 C ATOM 0 H ALA A 17 -2.618 -7.270 1.512 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.954 -5.708 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.317 -3.872 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.906 -4.875 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.006 -5.069 0.719 1.00 0.00 H new ATOM 270 N LYS A 18 -3.192 -6.313 -1.619 1.00 0.00 N ATOM 271 CA LYS A 18 -3.348 -6.305 -3.075 1.00 0.00 C ATOM 272 C LYS A 18 -4.513 -7.187 -3.498 1.00 0.00 C ATOM 273 O LYS A 18 -5.246 -6.802 -4.404 1.00 0.00 O ATOM 274 CB LYS A 18 -2.067 -6.728 -3.806 1.00 0.00 C ATOM 275 CG LYS A 18 -0.995 -5.627 -3.775 1.00 0.00 C ATOM 276 CD LYS A 18 0.023 -5.799 -4.910 1.00 0.00 C ATOM 277 CE LYS A 18 0.870 -7.067 -4.755 1.00 0.00 C ATOM 278 NZ LYS A 18 1.650 -7.331 -5.977 1.00 0.00 N ATOM 0 H LYS A 18 -2.301 -6.680 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.558 -5.275 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.670 -7.633 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.305 -6.973 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.473 -4.651 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.478 -5.648 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.504 -5.833 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.679 -4.929 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.544 -6.957 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.223 -7.918 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.337 -8.227 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.505 -6.557 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.660 -7.396 -5.737 1.00 0.00 H new ATOM 292 N ALA A 19 -4.724 -8.321 -2.828 1.00 0.00 N ATOM 293 CA ALA A 19 -5.873 -9.163 -3.097 1.00 0.00 C ATOM 294 C ALA A 19 -7.159 -8.396 -2.818 1.00 0.00 C ATOM 295 O ALA A 19 -8.096 -8.515 -3.598 1.00 0.00 O ATOM 296 CB ALA A 19 -5.813 -10.448 -2.273 1.00 0.00 C ATOM 0 H ALA A 19 -4.108 -8.672 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.859 -9.445 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.686 -11.062 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.908 -11.000 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.802 -10.200 -1.212 1.00 0.00 H new ATOM 302 N LEU A 20 -7.204 -7.573 -1.765 1.00 0.00 N ATOM 303 CA LEU A 20 -8.385 -6.777 -1.452 1.00 0.00 C ATOM 304 C LEU A 20 -8.685 -5.860 -2.628 1.00 0.00 C ATOM 305 O LEU A 20 -9.818 -5.786 -3.091 1.00 0.00 O ATOM 306 CB LEU A 20 -8.182 -5.936 -0.178 1.00 0.00 C ATOM 307 CG LEU A 20 -9.538 -5.459 0.378 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.096 -6.529 1.310 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.413 -4.161 1.174 1.00 0.00 C ATOM 0 H LEU A 20 -6.429 -7.444 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.220 -7.454 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.661 -6.527 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.551 -5.076 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.195 -5.281 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.056 -6.200 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.232 -7.458 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.400 -6.695 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.394 -3.866 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.738 -4.314 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.017 -3.376 0.530 1.00 0.00 H new ATOM 321 N LEU A 21 -7.662 -5.162 -3.116 1.00 0.00 N ATOM 322 CA LEU A 21 -7.816 -4.163 -4.156 1.00 0.00 C ATOM 323 C LEU A 21 -8.195 -4.798 -5.485 1.00 0.00 C ATOM 324 O LEU A 21 -9.077 -4.272 -6.161 1.00 0.00 O ATOM 325 CB LEU A 21 -6.521 -3.350 -4.297 1.00 0.00 C ATOM 326 CG LEU A 21 -6.079 -2.565 -3.049 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.865 -1.713 -3.411 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.164 -1.664 -2.455 1.00 0.00 C ATOM 0 H LEU A 21 -6.701 -5.278 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.627 -3.495 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.717 -4.030 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.645 -2.646 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.846 -3.304 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.541 -1.151 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.054 -2.359 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.132 -1.020 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.769 -1.148 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.475 -0.931 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.021 -2.271 -2.163 1.00 0.00 H new ATOM 340 N SER A 22 -7.584 -5.921 -5.861 1.00 0.00 N ATOM 341 CA SER A 22 -7.931 -6.619 -7.089 1.00 0.00 C ATOM 342 C SER A 22 -9.307 -7.285 -6.974 1.00 0.00 C ATOM 343 O SER A 22 -10.030 -7.351 -7.969 1.00 0.00 O ATOM 344 CB SER A 22 -6.832 -7.631 -7.433 1.00 0.00 C ATOM 345 OG SER A 22 -5.599 -6.963 -7.659 1.00 0.00 O ATOM 0 H SER A 22 -6.840 -6.367 -5.324 1.00 0.00 H new ATOM 0 HA SER A 22 -7.999 -5.898 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.721 -8.348 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.115 -8.197 -8.321 1.00 0.00 H new ATOM 0 HG SER A 22 -5.191 -6.730 -6.799 1.00 0.00 H new ATOM 351 N SER A 23 -9.728 -7.715 -5.781 1.00 0.00 N ATOM 352 CA SER A 23 -11.088 -8.189 -5.562 1.00 0.00 C ATOM 353 C SER A 23 -12.082 -7.034 -5.628 1.00 0.00 C ATOM 354 O SER A 23 -13.173 -7.209 -6.168 1.00 0.00 O ATOM 355 CB SER A 23 -11.198 -8.916 -4.221 1.00 0.00 C ATOM 356 OG SER A 23 -10.455 -10.122 -4.252 1.00 0.00 O ATOM 0 H SER A 23 -9.138 -7.743 -4.950 1.00 0.00 H new ATOM 0 HA SER A 23 -11.332 -8.895 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.829 -8.274 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.244 -9.131 -4.001 1.00 0.00 H new ATOM 0 HG SER A 23 -9.511 -9.930 -4.071 1.00 0.00 H new ATOM 362 N LYS A 24 -11.721 -5.833 -5.159 1.00 0.00 N ATOM 363 CA LYS A 24 -12.551 -4.657 -5.352 1.00 0.00 C ATOM 364 C LYS A 24 -12.452 -4.155 -6.797 1.00 0.00 C ATOM 365 O LYS A 24 -13.316 -3.389 -7.215 1.00 0.00 O ATOM 366 CB LYS A 24 -12.150 -3.596 -4.316 1.00 0.00 C ATOM 367 CG LYS A 24 -12.591 -3.923 -2.873 1.00 0.00 C ATOM 368 CD LYS A 24 -14.111 -3.851 -2.647 1.00 0.00 C ATOM 369 CE LYS A 24 -14.651 -2.417 -2.724 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.636 -1.735 -1.417 1.00 0.00 N ATOM 0 H LYS A 24 -10.858 -5.659 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.601 -4.901 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.067 -3.477 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.581 -2.638 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.244 -4.924 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.100 -3.231 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.615 -4.466 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.350 -4.274 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.054 -1.846 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.671 -2.437 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.026 -0.777 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.213 -2.272 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.658 -1.675 -1.068 1.00 0.00 H new ATOM 384 N GLY A 25 -11.460 -4.603 -7.567 1.00 0.00 N ATOM 385 CA GLY A 25 -11.277 -4.283 -8.974 1.00 0.00 C ATOM 386 C GLY A 25 -10.787 -2.854 -9.181 1.00 0.00 C ATOM 387 O GLY A 25 -11.055 -2.265 -10.229 1.00 0.00 O ATOM 0 H GLY A 25 -10.735 -5.224 -7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.561 -4.978 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.220 -4.422 -9.502 1.00 0.00 H new ATOM 391 N VAL A 26 -10.129 -2.262 -8.183 1.00 0.00 N ATOM 392 CA VAL A 26 -9.766 -0.850 -8.251 1.00 0.00 C ATOM 393 C VAL A 26 -8.469 -0.672 -9.040 1.00 0.00 C ATOM 394 O VAL A 26 -7.608 -1.555 -9.069 1.00 0.00 O ATOM 395 CB VAL A 26 -9.691 -0.211 -6.851 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.948 -0.484 -6.024 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.443 -0.596 -6.057 1.00 0.00 C ATOM 0 H VAL A 26 -9.840 -2.735 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.554 -0.320 -8.785 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.622 0.860 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.849 -0.014 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.818 -0.073 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.075 -1.559 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.465 -0.106 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.419 -1.677 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.553 -0.280 -6.602 1.00 0.00 H new ATOM 407 N SER A 27 -8.297 0.510 -9.616 1.00 0.00 N ATOM 408 CA SER A 27 -7.085 0.984 -10.255 1.00 0.00 C ATOM 409 C SER A 27 -6.143 1.491 -9.161 1.00 0.00 C ATOM 410 O SER A 27 -6.482 2.445 -8.457 1.00 0.00 O ATOM 411 CB SER A 27 -7.458 2.108 -11.226 1.00 0.00 C ATOM 412 OG SER A 27 -8.570 1.748 -12.032 1.00 0.00 O ATOM 0 H SER A 27 -9.046 1.201 -9.650 1.00 0.00 H new ATOM 0 HA SER A 27 -6.587 0.192 -10.815 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.691 3.013 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.604 2.339 -11.863 1.00 0.00 H new ATOM 0 HG SER A 27 -8.786 2.486 -12.640 1.00 0.00 H new ATOM 418 N PHE A 28 -4.991 0.845 -8.985 1.00 0.00 N ATOM 419 CA PHE A 28 -3.946 1.245 -8.043 1.00 0.00 C ATOM 420 C PHE A 28 -2.569 1.100 -8.723 1.00 0.00 C ATOM 421 O PHE A 28 -2.495 0.624 -9.860 1.00 0.00 O ATOM 422 CB PHE A 28 -4.107 0.443 -6.743 1.00 0.00 C ATOM 423 CG PHE A 28 -3.878 -1.050 -6.876 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.589 -1.599 -6.752 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.967 -1.897 -7.142 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.403 -2.985 -6.899 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.786 -3.279 -7.288 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.500 -3.828 -7.157 1.00 0.00 C ATOM 0 H PHE A 28 -4.752 0.004 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.033 2.295 -7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.411 0.837 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.112 0.608 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.745 -0.958 -6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.958 -1.477 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.412 -3.405 -6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.630 -3.918 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.353 -4.894 -7.254 1.00 0.00 H new ATOM 438 N GLN A 29 -1.481 1.493 -8.062 1.00 0.00 N ATOM 439 CA GLN A 29 -0.081 1.390 -8.485 1.00 0.00 C ATOM 440 C GLN A 29 0.650 0.641 -7.384 1.00 0.00 C ATOM 441 O GLN A 29 0.365 0.874 -6.214 1.00 0.00 O ATOM 442 CB GLN A 29 0.507 2.805 -8.653 1.00 0.00 C ATOM 443 CG GLN A 29 2.034 2.966 -8.534 1.00 0.00 C ATOM 444 CD GLN A 29 2.792 2.381 -9.724 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.636 1.215 -10.086 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.629 3.174 -10.367 1.00 0.00 N ATOM 0 H GLN A 29 -1.560 1.927 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 29 0.016 0.869 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.206 3.179 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.043 3.451 -7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.276 4.025 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.375 2.480 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.753 4.139 -10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.151 2.821 -11.169 1.00 0.00 H new ATOM 455 N GLU A 30 1.631 -0.191 -7.722 1.00 0.00 N ATOM 456 CA GLU A 30 2.455 -0.885 -6.736 1.00 0.00 C ATOM 457 C GLU A 30 3.906 -0.434 -6.846 1.00 0.00 C ATOM 458 O GLU A 30 4.362 -0.050 -7.926 1.00 0.00 O ATOM 459 CB GLU A 30 2.285 -2.408 -6.829 1.00 0.00 C ATOM 460 CG GLU A 30 2.975 -3.020 -8.057 1.00 0.00 C ATOM 461 CD GLU A 30 2.746 -4.525 -8.196 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.860 -5.098 -7.526 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.411 -5.147 -9.059 1.00 0.00 O ATOM 0 H GLU A 30 1.878 -0.404 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 30 2.112 -0.612 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.688 -2.868 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.222 -2.647 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.612 -2.520 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.046 -2.827 -7.996 1.00 0.00 H new ATOM 470 N LEU A 31 4.644 -0.505 -5.737 1.00 0.00 N ATOM 471 CA LEU A 31 5.999 0.029 -5.614 1.00 0.00 C ATOM 472 C LEU A 31 6.911 -1.019 -4.975 1.00 0.00 C ATOM 473 O LEU A 31 7.136 -1.001 -3.764 1.00 0.00 O ATOM 474 CB LEU A 31 5.961 1.351 -4.845 1.00 0.00 C ATOM 475 CG LEU A 31 5.360 2.468 -5.718 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.136 3.079 -5.062 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.404 3.541 -6.000 1.00 0.00 C ATOM 0 H LEU A 31 4.308 -0.946 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 31 6.417 0.248 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.369 1.233 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.969 1.627 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 31 5.048 2.025 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.734 3.864 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.379 2.308 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.414 3.504 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.964 4.323 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.747 3.972 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.250 3.097 -6.525 1.00 0.00 H new ATOM 489 N PRO A 32 7.407 -1.980 -5.762 1.00 0.00 N ATOM 490 CA PRO A 32 8.166 -3.101 -5.236 1.00 0.00 C ATOM 491 C PRO A 32 9.505 -2.658 -4.632 1.00 0.00 C ATOM 492 O PRO A 32 10.157 -1.734 -5.131 1.00 0.00 O ATOM 493 CB PRO A 32 8.395 -4.027 -6.430 1.00 0.00 C ATOM 494 CG PRO A 32 7.392 -3.581 -7.491 1.00 0.00 C ATOM 495 CD PRO A 32 7.244 -2.095 -7.201 1.00 0.00 C ATOM 0 HA PRO A 32 7.626 -3.592 -4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.418 -3.947 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.237 -5.070 -6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.761 -3.763 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.443 -4.109 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.996 -1.511 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.270 -1.725 -7.520 1.00 0.00 H new ATOM 503 N ILE A 33 9.967 -3.368 -3.607 1.00 0.00 N ATOM 504 CA ILE A 33 11.300 -3.271 -3.015 1.00 0.00 C ATOM 505 C ILE A 33 11.985 -4.642 -2.999 1.00 0.00 C ATOM 506 O ILE A 33 12.962 -4.844 -2.274 1.00 0.00 O ATOM 507 CB ILE A 33 11.264 -2.585 -1.632 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.314 -3.276 -0.630 1.00 0.00 C ATOM 509 CG2 ILE A 33 10.914 -1.100 -1.802 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.788 -3.172 0.821 1.00 0.00 C ATOM 0 H ILE A 33 9.389 -4.067 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 33 11.912 -2.624 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 33 12.260 -2.677 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.322 -2.832 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.216 -4.328 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.889 -0.618 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.667 -0.618 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.937 -1.008 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.076 -3.678 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.767 -3.642 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.859 -2.122 1.106 1.00 0.00 H new ATOM 575 N LYS A 39 15.004 2.282 -4.434 1.00 0.00 N ATOM 576 CA LYS A 39 13.711 2.900 -4.152 1.00 0.00 C ATOM 577 C LYS A 39 13.174 2.486 -2.771 1.00 0.00 C ATOM 578 O LYS A 39 12.174 3.027 -2.308 1.00 0.00 O ATOM 579 CB LYS A 39 12.814 2.709 -5.391 1.00 0.00 C ATOM 580 CG LYS A 39 11.331 3.032 -5.222 1.00 0.00 C ATOM 581 CD LYS A 39 10.520 1.846 -4.677 1.00 0.00 C ATOM 582 CE LYS A 39 9.631 1.205 -5.745 1.00 0.00 C ATOM 583 NZ LYS A 39 10.338 0.543 -6.868 1.00 0.00 N ATOM 0 HA LYS A 39 13.771 3.980 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.208 3.331 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.901 1.673 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.224 3.880 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.919 3.337 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.203 1.095 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.899 2.185 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.989 0.469 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.978 1.975 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.754 0.599 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.247 1.020 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.510 -0.455 -6.630 1.00 0.00 H new ATOM 597 N ARG A 40 13.816 1.544 -2.071 1.00 0.00 N ATOM 598 CA ARG A 40 13.484 1.288 -0.669 1.00 0.00 C ATOM 599 C ARG A 40 13.784 2.505 0.190 1.00 0.00 C ATOM 600 O ARG A 40 12.942 2.863 1.012 1.00 0.00 O ATOM 601 CB ARG A 40 14.198 0.053 -0.101 1.00 0.00 C ATOM 602 CG ARG A 40 13.566 -0.301 1.248 1.00 0.00 C ATOM 603 CD ARG A 40 13.953 -1.651 1.840 1.00 0.00 C ATOM 604 NE ARG A 40 13.076 -1.959 2.980 1.00 0.00 N ATOM 605 CZ ARG A 40 13.083 -3.090 3.688 1.00 0.00 C ATOM 606 NH1 ARG A 40 14.115 -3.927 3.615 1.00 0.00 N ATOM 607 NH2 ARG A 40 12.032 -3.371 4.447 1.00 0.00 N ATOM 0 H ARG A 40 14.558 0.955 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 40 12.414 1.082 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.110 -0.786 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.262 0.254 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.831 0.476 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.482 -0.274 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.868 -2.430 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.994 -1.633 2.163 1.00 0.00 H new ATOM 0 HE ARG A 40 12.402 -1.244 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.909 -3.706 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.112 -4.789 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.241 -2.728 4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.015 -4.230 4.997 1.00 0.00 H new ATOM 621 N GLU A 41 14.951 3.128 0.021 1.00 0.00 N ATOM 622 CA GLU A 41 15.285 4.271 0.878 1.00 0.00 C ATOM 623 C GLU A 41 14.320 5.436 0.636 1.00 0.00 C ATOM 624 O GLU A 41 13.981 6.152 1.574 1.00 0.00 O ATOM 625 CB GLU A 41 16.765 4.671 0.787 1.00 0.00 C ATOM 626 CG GLU A 41 17.196 5.403 -0.491 1.00 0.00 C ATOM 627 CD GLU A 41 17.333 6.920 -0.334 1.00 0.00 C ATOM 628 OE1 GLU A 41 16.311 7.641 -0.362 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.485 7.403 -0.218 1.00 0.00 O ATOM 0 H GLU A 41 15.657 2.876 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 41 15.148 3.959 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.000 5.306 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.369 3.769 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.151 4.996 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.470 5.195 -1.277 1.00 0.00 H new ATOM 636 N GLU A 42 13.780 5.577 -0.579 1.00 0.00 N ATOM 637 CA GLU A 42 12.752 6.565 -0.903 1.00 0.00 C ATOM 638 C GLU A 42 11.541 6.405 0.028 1.00 0.00 C ATOM 639 O GLU A 42 10.947 7.382 0.489 1.00 0.00 O ATOM 640 CB GLU A 42 12.352 6.377 -2.378 1.00 0.00 C ATOM 641 CG GLU A 42 11.387 7.431 -2.929 1.00 0.00 C ATOM 642 CD GLU A 42 12.073 8.747 -3.277 1.00 0.00 C ATOM 643 OE1 GLU A 42 12.970 9.198 -2.536 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.707 9.336 -4.322 1.00 0.00 O ATOM 0 H GLU A 42 14.050 4.999 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 42 13.138 7.574 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.256 6.381 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.895 5.394 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.898 7.037 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.605 7.619 -2.193 1.00 0.00 H new ATOM 651 N MET A 43 11.198 5.157 0.362 1.00 0.00 N ATOM 652 CA MET A 43 10.104 4.821 1.243 1.00 0.00 C ATOM 653 C MET A 43 10.289 5.380 2.660 1.00 0.00 C ATOM 654 O MET A 43 9.309 5.478 3.401 1.00 0.00 O ATOM 655 CB MET A 43 9.887 3.303 1.278 1.00 0.00 C ATOM 656 CG MET A 43 8.417 2.936 1.484 1.00 0.00 C ATOM 657 SD MET A 43 8.077 1.203 1.910 1.00 0.00 S ATOM 658 CE MET A 43 9.280 0.274 0.939 1.00 0.00 C ATOM 0 H MET A 43 11.695 4.339 0.011 1.00 0.00 H new ATOM 0 HA MET A 43 9.212 5.297 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.242 2.865 0.345 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.484 2.870 2.081 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.013 3.569 2.274 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.872 3.178 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.984 -0.774 0.899 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.321 0.678 -0.073 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.263 0.356 1.403 1.00 0.00 H new ATOM 668 N ILE A 44 11.511 5.755 3.049 1.00 0.00 N ATOM 669 CA ILE A 44 11.800 6.391 4.329 1.00 0.00 C ATOM 670 C ILE A 44 11.095 7.747 4.344 1.00 0.00 C ATOM 671 O ILE A 44 10.154 7.889 5.113 1.00 0.00 O ATOM 672 CB ILE A 44 13.314 6.481 4.636 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.017 5.101 4.628 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.562 7.186 5.981 1.00 0.00 C ATOM 675 CD1 ILE A 44 13.813 4.248 5.887 1.00 0.00 C ATOM 0 H ILE A 44 12.340 5.621 2.469 1.00 0.00 H new ATOM 0 HA ILE A 44 11.414 5.774 5.140 1.00 0.00 H new ATOM 0 HB ILE A 44 13.751 7.071 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.661 4.536 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.086 5.258 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.634 7.236 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.152 8.195 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.076 6.626 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.347 3.304 5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.197 4.783 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.750 4.050 6.024 1.00 0.00 H new ATOM 687 N LYS A 45 11.450 8.730 3.504 1.00 0.00 N ATOM 688 CA LYS A 45 10.802 10.040 3.557 1.00 0.00 C ATOM 689 C LYS A 45 9.294 9.952 3.313 1.00 0.00 C ATOM 690 O LYS A 45 8.535 10.772 3.833 1.00 0.00 O ATOM 691 CB LYS A 45 11.518 11.010 2.599 1.00 0.00 C ATOM 692 CG LYS A 45 10.891 12.405 2.662 1.00 0.00 C ATOM 693 CD LYS A 45 11.566 13.494 1.820 1.00 0.00 C ATOM 694 CE LYS A 45 12.910 13.969 2.384 1.00 0.00 C ATOM 695 NZ LYS A 45 13.275 15.294 1.843 1.00 0.00 N ATOM 0 H LYS A 45 12.173 8.641 2.790 1.00 0.00 H new ATOM 0 HA LYS A 45 10.898 10.439 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.575 11.070 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.462 10.628 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.850 12.326 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.886 12.731 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.720 13.115 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.893 14.348 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.854 14.020 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.687 13.246 2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.189 15.592 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.350 15.237 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.543 15.987 2.099 1.00 0.00 H new ATOM 709 N ARG A 46 8.836 8.955 2.562 1.00 0.00 N ATOM 710 CA ARG A 46 7.434 8.716 2.314 1.00 0.00 C ATOM 711 C ARG A 46 6.706 8.256 3.584 1.00 0.00 C ATOM 712 O ARG A 46 5.618 8.755 3.840 1.00 0.00 O ATOM 713 CB ARG A 46 7.355 7.659 1.208 1.00 0.00 C ATOM 714 CG ARG A 46 7.759 8.110 -0.208 1.00 0.00 C ATOM 715 CD ARG A 46 6.645 8.855 -0.964 1.00 0.00 C ATOM 716 NE ARG A 46 6.955 8.924 -2.406 1.00 0.00 N ATOM 717 CZ ARG A 46 6.327 8.314 -3.420 1.00 0.00 C ATOM 718 NH1 ARG A 46 5.138 7.732 -3.258 1.00 0.00 N ATOM 719 NH2 ARG A 46 6.932 8.256 -4.596 1.00 0.00 N ATOM 0 H ARG A 46 9.449 8.281 2.103 1.00 0.00 H new ATOM 0 HA ARG A 46 6.937 9.636 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.990 6.820 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.332 7.285 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.633 8.757 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.056 7.235 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.693 8.346 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.535 9.862 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 46 7.749 9.511 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.684 7.744 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.682 7.275 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.856 8.671 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.474 7.797 -5.383 1.00 0.00 H new ATOM 733 N SER A 47 7.254 7.320 4.375 1.00 0.00 N ATOM 734 CA SER A 47 6.497 6.668 5.456 1.00 0.00 C ATOM 735 C SER A 47 7.061 6.796 6.869 1.00 0.00 C ATOM 736 O SER A 47 6.354 6.553 7.850 1.00 0.00 O ATOM 737 CB SER A 47 6.430 5.174 5.155 1.00 0.00 C ATOM 738 OG SER A 47 7.690 4.518 5.247 1.00 0.00 O ATOM 0 H SER A 47 8.218 6.998 4.287 1.00 0.00 H new ATOM 0 HA SER A 47 5.537 7.185 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.733 4.703 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.028 5.031 4.152 1.00 0.00 H new ATOM 0 HG SER A 47 8.238 4.752 4.469 1.00 0.00 H new ATOM 744 N GLY A 48 8.361 7.053 6.970 1.00 0.00 N ATOM 745 CA GLY A 48 9.145 6.981 8.186 1.00 0.00 C ATOM 746 C GLY A 48 9.462 5.533 8.593 1.00 0.00 C ATOM 747 O GLY A 48 10.031 5.346 9.668 1.00 0.00 O ATOM 0 H GLY A 48 8.919 7.331 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.077 7.529 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.603 7.473 8.994 1.00 0.00 H new ATOM 751 N ARG A 49 9.116 4.502 7.798 1.00 0.00 N ATOM 752 CA ARG A 49 9.163 3.091 8.207 1.00 0.00 C ATOM 753 C ARG A 49 9.994 2.182 7.297 1.00 0.00 C ATOM 754 O ARG A 49 10.842 1.470 7.817 1.00 0.00 O ATOM 755 CB ARG A 49 7.738 2.540 8.284 1.00 0.00 C ATOM 756 CG ARG A 49 6.830 3.252 9.289 1.00 0.00 C ATOM 757 CD ARG A 49 5.543 2.457 9.538 1.00 0.00 C ATOM 758 NE ARG A 49 5.733 1.462 10.601 1.00 0.00 N ATOM 759 CZ ARG A 49 4.845 1.098 11.530 1.00 0.00 C ATOM 760 NH1 ARG A 49 3.596 1.550 11.501 1.00 0.00 N ATOM 761 NH2 ARG A 49 5.228 0.275 12.493 1.00 0.00 N ATOM 0 H ARG A 49 8.792 4.632 6.840 1.00 0.00 H new ATOM 0 HA ARG A 49 9.660 3.084 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.284 2.605 7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.786 1.482 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.363 3.389 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.580 4.245 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.738 3.139 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.237 1.958 8.619 1.00 0.00 H new ATOM 0 HE ARG A 49 6.641 0.999 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.301 2.186 10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.932 1.261 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.187 -0.070 12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.564 -0.014 13.211 1.00 0.00 H new ATOM 775 N THR A 50 9.696 2.149 5.995 1.00 0.00 N ATOM 776 CA THR A 50 10.245 1.273 4.948 1.00 0.00 C ATOM 777 C THR A 50 9.833 -0.210 5.066 1.00 0.00 C ATOM 778 O THR A 50 10.384 -1.103 4.414 1.00 0.00 O ATOM 779 CB THR A 50 11.731 1.572 4.640 1.00 0.00 C ATOM 780 OG1 THR A 50 11.952 1.272 3.285 1.00 0.00 O ATOM 781 CG2 THR A 50 12.801 0.832 5.452 1.00 0.00 C ATOM 0 H THR A 50 9.003 2.791 5.609 1.00 0.00 H new ATOM 0 HA THR A 50 9.740 1.544 4.021 1.00 0.00 H new ATOM 0 HB THR A 50 11.855 2.619 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.321 2.059 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.791 1.147 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.680 1.065 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.693 -0.242 5.302 1.00 0.00 H new ATOM 789 N THR A 51 8.834 -0.483 5.896 1.00 0.00 N ATOM 790 CA THR A 51 8.128 -1.752 6.001 1.00 0.00 C ATOM 791 C THR A 51 7.172 -1.889 4.825 1.00 0.00 C ATOM 792 O THR A 51 7.010 -0.945 4.062 1.00 0.00 O ATOM 793 CB THR A 51 7.357 -1.696 7.334 1.00 0.00 C ATOM 794 OG1 THR A 51 6.505 -0.555 7.363 1.00 0.00 O ATOM 795 CG2 THR A 51 8.322 -1.563 8.515 1.00 0.00 C ATOM 0 H THR A 51 8.476 0.214 6.549 1.00 0.00 H new ATOM 0 HA THR A 51 8.802 -2.608 5.980 1.00 0.00 H new ATOM 0 HB THR A 51 6.781 -2.618 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.019 -0.531 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.755 -1.525 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.994 -2.421 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.904 -0.648 8.408 1.00 0.00 H new ATOM 803 N VAL A 52 6.493 -3.025 4.687 1.00 0.00 N ATOM 804 CA VAL A 52 5.434 -3.164 3.683 1.00 0.00 C ATOM 805 C VAL A 52 4.281 -4.026 4.251 1.00 0.00 C ATOM 806 O VAL A 52 4.500 -4.734 5.241 1.00 0.00 O ATOM 807 CB VAL A 52 6.023 -3.810 2.418 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.715 -2.787 1.512 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.866 -5.049 2.673 1.00 0.00 C ATOM 0 H VAL A 52 6.653 -3.859 5.252 1.00 0.00 H new ATOM 0 HA VAL A 52 5.033 -2.183 3.428 1.00 0.00 H new ATOM 0 HB VAL A 52 5.162 -4.187 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.115 -3.292 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.995 -2.031 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.529 -2.310 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.239 -5.436 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.707 -4.791 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.257 -5.810 3.161 1.00 0.00 H new ATOM 819 N PRO A 53 3.076 -4.036 3.647 1.00 0.00 N ATOM 820 CA PRO A 53 2.663 -3.140 2.585 1.00 0.00 C ATOM 821 C PRO A 53 2.565 -1.723 3.122 1.00 0.00 C ATOM 822 O PRO A 53 2.456 -1.510 4.333 1.00 0.00 O ATOM 823 CB PRO A 53 1.311 -3.647 2.085 1.00 0.00 C ATOM 824 CG PRO A 53 0.719 -4.299 3.329 1.00 0.00 C ATOM 825 CD PRO A 53 1.947 -4.851 4.059 1.00 0.00 C ATOM 0 HA PRO A 53 3.381 -3.122 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.685 -2.835 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.422 -4.360 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.178 -3.578 3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.015 -5.090 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.809 -4.804 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.111 -5.898 3.804 1.00 0.00 H new ATOM 833 N GLN A 54 2.607 -0.758 2.215 1.00 0.00 N ATOM 834 CA GLN A 54 2.373 0.626 2.557 1.00 0.00 C ATOM 835 C GLN A 54 1.480 1.195 1.494 1.00 0.00 C ATOM 836 O GLN A 54 1.945 1.432 0.384 1.00 0.00 O ATOM 837 CB GLN A 54 3.653 1.443 2.638 1.00 0.00 C ATOM 838 CG GLN A 54 4.786 0.785 3.410 1.00 0.00 C ATOM 839 CD GLN A 54 5.597 1.861 4.092 1.00 0.00 C ATOM 840 OE1 GLN A 54 5.878 2.887 3.495 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.870 1.738 5.378 1.00 0.00 N ATOM 0 H GLN A 54 2.804 -0.917 1.227 1.00 0.00 H new ATOM 0 HA GLN A 54 1.920 0.672 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.997 1.653 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.425 2.402 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.386 0.089 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.417 0.207 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.632 0.877 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.319 2.504 5.880 1.00 0.00 H new ATOM 850 N ILE A 55 0.207 1.348 1.814 1.00 0.00 N ATOM 851 CA ILE A 55 -0.722 2.044 0.949 1.00 0.00 C ATOM 852 C ILE A 55 -0.510 3.529 1.204 1.00 0.00 C ATOM 853 O ILE A 55 -0.298 3.943 2.349 1.00 0.00 O ATOM 854 CB ILE A 55 -2.194 1.648 1.201 1.00 0.00 C ATOM 855 CG1 ILE A 55 -2.421 0.618 2.324 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.856 1.211 -0.116 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.950 -0.825 2.059 1.00 0.00 C ATOM 0 H ILE A 55 -0.208 0.995 2.676 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.530 1.777 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.679 2.549 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.917 0.979 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.488 0.590 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.893 0.934 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.824 2.034 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.320 0.355 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.170 -1.445 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.471 -1.224 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.876 -0.829 1.873 1.00 0.00 H new ATOM 869 N PHE A 56 -0.624 4.315 0.146 1.00 0.00 N ATOM 870 CA PHE A 56 -0.531 5.753 0.142 1.00 0.00 C ATOM 871 C PHE A 56 -1.699 6.255 -0.688 1.00 0.00 C ATOM 872 O PHE A 56 -1.771 5.896 -1.862 1.00 0.00 O ATOM 873 CB PHE A 56 0.783 6.166 -0.524 1.00 0.00 C ATOM 874 CG PHE A 56 1.983 6.111 0.381 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.649 4.901 0.644 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.449 7.305 0.937 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.763 4.894 1.503 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.547 7.297 1.799 1.00 0.00 C ATOM 879 CZ PHE A 56 4.180 6.087 2.115 1.00 0.00 C ATOM 0 H PHE A 56 -0.794 3.936 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.557 6.163 1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.961 5.518 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.679 7.181 -0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.308 3.983 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.958 8.237 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.296 3.974 1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.909 8.223 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.989 6.072 2.830 1.00 0.00 H new ATOM 889 N ILE A 57 -2.601 7.046 -0.107 1.00 0.00 N ATOM 890 CA ILE A 57 -3.780 7.558 -0.794 1.00 0.00 C ATOM 891 C ILE A 57 -3.588 9.068 -0.907 1.00 0.00 C ATOM 892 O ILE A 57 -3.835 9.795 0.051 1.00 0.00 O ATOM 893 CB ILE A 57 -5.058 7.152 -0.037 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.155 5.653 0.324 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.274 7.554 -0.872 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.248 4.695 -0.861 1.00 0.00 C ATOM 0 H ILE A 57 -2.530 7.351 0.864 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.898 7.137 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.025 7.678 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.282 5.383 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.030 5.506 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.186 7.271 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.266 8.632 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.238 7.045 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.312 3.670 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.137 4.927 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.362 4.803 -1.487 1.00 0.00 H new ATOM 908 N ASP A 58 -3.102 9.549 -2.051 1.00 0.00 N ATOM 909 CA ASP A 58 -2.643 10.931 -2.207 1.00 0.00 C ATOM 910 C ASP A 58 -1.688 11.322 -1.082 1.00 0.00 C ATOM 911 O ASP A 58 -1.985 12.166 -0.230 1.00 0.00 O ATOM 912 CB ASP A 58 -3.742 11.979 -2.421 1.00 0.00 C ATOM 913 CG ASP A 58 -4.797 11.629 -3.447 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.421 11.185 -4.549 1.00 0.00 O ATOM 915 OD2 ASP A 58 -5.994 11.931 -3.231 1.00 0.00 O ATOM 0 H ASP A 58 -3.015 8.990 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.100 10.937 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.237 12.159 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.271 12.916 -2.718 1.00 0.00 H new ATOM 920 N ALA A 59 -0.530 10.660 -1.073 1.00 0.00 N ATOM 921 CA ALA A 59 0.637 10.881 -0.220 1.00 0.00 C ATOM 922 C ALA A 59 0.458 10.427 1.229 1.00 0.00 C ATOM 923 O ALA A 59 1.440 10.272 1.959 1.00 0.00 O ATOM 924 CB ALA A 59 1.053 12.349 -0.278 1.00 0.00 C ATOM 0 H ALA A 59 -0.372 9.887 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 59 1.429 10.249 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.923 12.506 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.303 12.616 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.231 12.974 0.070 1.00 0.00 H new ATOM 930 N GLN A 60 -0.784 10.167 1.608 1.00 0.00 N ATOM 931 CA GLN A 60 -1.250 9.808 2.931 1.00 0.00 C ATOM 932 C GLN A 60 -0.859 8.360 3.204 1.00 0.00 C ATOM 933 O GLN A 60 -1.547 7.448 2.742 1.00 0.00 O ATOM 934 CB GLN A 60 -2.767 9.987 2.875 1.00 0.00 C ATOM 935 CG GLN A 60 -3.576 9.891 4.163 1.00 0.00 C ATOM 936 CD GLN A 60 -5.081 9.969 3.862 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.903 9.494 4.646 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.468 10.534 2.721 1.00 0.00 N ATOM 0 H GLN A 60 -1.553 10.206 0.939 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.821 10.413 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.966 10.964 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.160 9.241 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.349 8.954 4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.292 10.698 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.773 10.923 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.459 10.579 2.484 1.00 0.00 H new ATOM 947 N HIS A 61 0.255 8.122 3.896 1.00 0.00 N ATOM 948 CA HIS A 61 0.658 6.773 4.258 1.00 0.00 C ATOM 949 C HIS A 61 -0.392 6.195 5.199 1.00 0.00 C ATOM 950 O HIS A 61 -0.514 6.637 6.341 1.00 0.00 O ATOM 951 CB HIS A 61 2.025 6.791 4.942 1.00 0.00 C ATOM 952 CG HIS A 61 2.464 5.435 5.438 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.067 5.222 6.659 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.244 4.218 4.840 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.231 3.896 6.799 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.752 3.263 5.711 1.00 0.00 N ATOM 0 H HIS A 61 0.893 8.851 4.216 1.00 0.00 H new ATOM 0 HA HIS A 61 0.737 6.158 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.769 7.172 4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.994 7.485 5.782 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.771 4.040 3.885 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.679 3.411 7.654 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.761 2.255 5.554 1.00 0.00 H new ATOM 965 N ILE A 62 -1.152 5.214 4.734 1.00 0.00 N ATOM 966 CA ILE A 62 -2.193 4.564 5.504 1.00 0.00 C ATOM 967 C ILE A 62 -1.507 3.658 6.524 1.00 0.00 C ATOM 968 O ILE A 62 -1.573 3.912 7.727 1.00 0.00 O ATOM 969 CB ILE A 62 -3.126 3.831 4.518 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.640 4.763 3.403 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.308 3.160 5.219 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.293 6.063 3.889 1.00 0.00 C ATOM 0 H ILE A 62 -1.057 4.842 3.789 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.821 5.256 6.065 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.516 3.051 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.805 5.017 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.363 4.216 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.933 2.659 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.938 2.428 5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.897 3.914 5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.621 6.649 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.152 5.826 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.570 6.639 4.467 1.00 0.00 H new ATOM 984 N GLY A 63 -0.799 2.632 6.055 1.00 0.00 N ATOM 985 CA GLY A 63 -0.164 1.629 6.888 1.00 0.00 C ATOM 986 C GLY A 63 -0.223 0.292 6.170 1.00 0.00 C ATOM 987 O GLY A 63 -0.084 0.258 4.941 1.00 0.00 O ATOM 0 H GLY A 63 -0.651 2.477 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.871 1.905 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.669 1.563 7.852 1.00 0.00 H new ATOM 991 N GLY A 64 -0.380 -0.778 6.945 1.00 0.00 N ATOM 992 CA GLY A 64 -0.320 -2.157 6.492 1.00 0.00 C ATOM 993 C GLY A 64 -1.673 -2.644 5.976 1.00 0.00 C ATOM 994 O GLY A 64 -2.560 -1.848 5.664 1.00 0.00 O ATOM 0 H GLY A 64 -0.560 -0.700 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.425 -2.248 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.007 -2.795 7.313 1.00 0.00 H new ATOM 998 N TYR A 65 -1.829 -3.966 5.845 1.00 0.00 N ATOM 999 CA TYR A 65 -3.093 -4.543 5.407 1.00 0.00 C ATOM 1000 C TYR A 65 -4.192 -4.289 6.425 1.00 0.00 C ATOM 1001 O TYR A 65 -5.293 -3.958 6.011 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.987 -6.043 5.103 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.338 -6.714 4.942 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.180 -6.342 3.881 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.794 -7.638 5.900 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.431 -6.953 3.706 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -6.063 -8.223 5.761 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.876 -7.905 4.648 1.00 0.00 C ATOM 1009 OH TYR A 65 -8.079 -8.518 4.487 1.00 0.00 O ATOM 0 H TYR A 65 -1.096 -4.649 6.036 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.351 -4.042 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.407 -6.183 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.438 -6.533 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.860 -5.575 3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.169 -7.897 6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.048 -6.697 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.420 -8.918 6.507 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.725 -8.144 5.122 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.914 -4.415 7.721 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.908 -4.176 8.770 1.00 0.00 C ATOM 1021 C ASP A 66 -5.481 -2.771 8.627 1.00 0.00 C ATOM 1022 O ASP A 66 -6.695 -2.578 8.639 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.257 -4.361 10.149 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.068 -3.771 11.311 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.311 -3.931 11.364 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.454 -3.162 12.213 1.00 0.00 O ATOM 0 H ASP A 66 -2.996 -4.685 8.075 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.723 -4.893 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.108 -5.426 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.270 -3.899 10.138 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.588 -1.808 8.413 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.911 -0.393 8.277 1.00 0.00 C ATOM 1033 C ASP A 67 -5.777 -0.169 7.039 1.00 0.00 C ATOM 1034 O ASP A 67 -6.804 0.505 7.095 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.613 0.420 8.159 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.752 0.374 9.414 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.920 1.229 10.310 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.841 -0.482 9.480 1.00 0.00 O ATOM 0 H ASP A 67 -3.590 -1.998 8.327 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.465 -0.066 9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.033 0.044 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.862 1.458 7.937 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.363 -0.736 5.908 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.064 -0.657 4.630 1.00 0.00 C ATOM 1045 C LEU A 68 -7.437 -1.300 4.697 1.00 0.00 C ATOM 1046 O LEU A 68 -8.423 -0.733 4.233 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.198 -1.372 3.581 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.642 -1.310 2.103 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.568 -2.467 1.728 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.271 0.023 1.680 1.00 0.00 C ATOM 0 H LEU A 68 -4.502 -1.281 5.855 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.218 0.389 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.191 -0.960 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.131 -2.422 3.865 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.710 -1.402 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.853 -2.380 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.050 -3.413 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.462 -2.434 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.552 -0.025 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.158 0.215 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.551 0.828 1.827 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.506 -2.507 5.233 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.715 -3.279 5.299 1.00 0.00 C ATOM 1064 C TYR A 69 -9.686 -2.613 6.266 1.00 0.00 C ATOM 1065 O TYR A 69 -10.883 -2.618 6.000 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.306 -4.676 5.743 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.377 -5.733 5.748 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.269 -5.858 4.667 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.353 -6.708 6.756 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.113 -6.974 4.576 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.210 -7.812 6.682 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.095 -7.952 5.593 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.878 -9.056 5.514 1.00 0.00 O ATOM 0 H TYR A 69 -6.699 -2.980 5.641 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.230 -3.341 4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.499 -5.015 5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.896 -4.605 6.750 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.304 -5.093 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.673 -6.607 7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.775 -7.085 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.194 -8.559 7.462 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.732 -9.618 6.303 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.186 -1.978 7.334 1.00 0.00 N ATOM 1084 CA ALA A 70 -10.002 -1.138 8.188 1.00 0.00 C ATOM 1085 C ALA A 70 -10.471 0.111 7.439 1.00 0.00 C ATOM 1086 O ALA A 70 -11.634 0.470 7.577 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.236 -0.769 9.458 1.00 0.00 C ATOM 0 H ALA A 70 -8.209 -2.038 7.620 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.890 -1.699 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.861 -0.138 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.972 -1.677 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.328 -0.229 9.191 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.618 0.788 6.657 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.008 1.937 5.845 1.00 0.00 C ATOM 1095 C LEU A 71 -11.151 1.562 4.897 1.00 0.00 C ATOM 1096 O LEU A 71 -12.133 2.297 4.773 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.771 2.486 5.117 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.060 3.652 4.153 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.683 4.865 4.852 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.763 4.083 3.461 1.00 0.00 C ATOM 0 H LEU A 71 -8.630 0.547 6.573 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.393 2.735 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.046 2.817 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.306 1.675 4.557 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.785 3.287 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.863 5.653 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.627 4.574 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.002 5.232 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.971 4.908 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.040 4.405 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.354 3.243 2.900 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.045 0.406 4.239 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.101 -0.123 3.389 1.00 0.00 C ATOM 1114 C ASP A 72 -13.337 -0.482 4.204 1.00 0.00 C ATOM 1115 O ASP A 72 -14.452 -0.124 3.833 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.629 -1.323 2.563 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.723 -1.741 1.580 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -12.954 -0.996 0.603 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.378 -2.787 1.789 1.00 0.00 O ATOM 0 H ASP A 72 -10.218 -0.189 4.284 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.370 0.668 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.719 -1.067 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.383 -2.155 3.222 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.150 -1.098 5.371 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.246 -1.441 6.274 1.00 0.00 C ATOM 1126 C ALA A 73 -14.971 -0.175 6.737 1.00 0.00 C ATOM 1127 O ALA A 73 -16.187 -0.195 6.926 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.749 -2.238 7.486 1.00 0.00 C ATOM 0 H ALA A 73 -12.231 -1.374 5.717 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.944 -2.071 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.591 -2.475 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.281 -3.162 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.021 -1.644 8.038 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.264 0.953 6.831 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.798 2.237 7.260 1.00 0.00 C ATOM 1136 C ARG A 74 -15.659 2.822 6.146 1.00 0.00 C ATOM 1137 O ARG A 74 -16.501 3.679 6.422 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.616 3.195 7.539 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.546 3.655 8.997 1.00 0.00 C ATOM 1140 CD ARG A 74 -12.267 4.474 9.228 1.00 0.00 C ATOM 1141 NE ARG A 74 -11.986 4.599 10.663 1.00 0.00 N ATOM 1142 CZ ARG A 74 -12.435 5.530 11.505 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.075 6.616 11.091 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -12.213 5.375 12.797 1.00 0.00 N ATOM 0 H ARG A 74 -13.271 0.994 6.602 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.401 2.109 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.683 2.697 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.704 4.068 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.422 4.257 9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.559 2.791 9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.426 3.994 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.378 5.464 8.786 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.374 3.889 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.240 6.762 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.402 7.304 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.707 4.555 13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.547 6.075 13.459 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.476 2.354 4.910 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.036 2.963 3.719 1.00 0.00 C ATOM 1160 C GLY A 75 -15.229 4.204 3.351 1.00 0.00 C ATOM 1161 O GLY A 75 -15.765 5.121 2.729 1.00 0.00 O ATOM 0 H GLY A 75 -14.920 1.522 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.023 2.251 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.078 3.232 3.892 1.00 0.00 H new ATOM 1165 N GLY A 76 -13.965 4.280 3.779 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.089 5.411 3.513 1.00 0.00 C ATOM 1167 C GLY A 76 -12.144 5.163 2.342 1.00 0.00 C ATOM 1168 O GLY A 76 -11.536 6.119 1.865 1.00 0.00 O ATOM 0 H GLY A 76 -13.521 3.544 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.695 6.293 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.504 5.630 4.406 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.008 3.914 1.880 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.183 3.583 0.722 1.00 0.00 C ATOM 1174 C LEU A 77 -11.939 3.913 -0.563 1.00 0.00 C ATOM 1175 O LEU A 77 -11.401 4.583 -1.437 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.789 2.094 0.769 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.802 1.684 -0.337 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.435 2.363 -0.158 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.603 0.167 -0.329 1.00 0.00 C ATOM 0 H LEU A 77 -12.469 3.108 2.302 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.270 4.177 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.345 1.874 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.689 1.486 0.685 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.229 2.004 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.765 2.049 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.559 3.445 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.010 2.077 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.902 -0.112 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.205 -0.143 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.559 -0.326 -0.503 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.191 3.461 -0.663 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.039 3.545 -1.857 1.00 0.00 C ATOM 1193 C ASP A 78 -14.020 4.946 -2.496 1.00 0.00 C ATOM 1194 O ASP A 78 -13.711 5.036 -3.687 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.484 3.128 -1.520 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.791 1.718 -2.015 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.207 1.514 -3.179 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -15.593 0.783 -1.215 1.00 0.00 O ATOM 0 H ASP A 78 -13.663 3.007 0.119 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.626 2.853 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.635 3.177 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.182 3.833 -1.972 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.315 6.048 -1.772 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.398 7.386 -2.359 1.00 0.00 C ATOM 1205 C PRO A 79 -13.025 7.984 -2.704 1.00 0.00 C ATOM 1206 O PRO A 79 -12.941 9.139 -3.131 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.139 8.232 -1.320 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.698 7.606 -0.003 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.634 6.123 -0.351 1.00 0.00 C ATOM 0 HA PRO A 79 -14.919 7.355 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.861 9.284 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.220 8.180 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.731 7.988 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.408 7.805 0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.875 5.616 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.584 5.633 -0.140 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.931 7.242 -2.509 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.592 7.669 -2.871 1.00 0.00 C ATOM 1219 C LEU A 80 -10.064 6.844 -4.046 1.00 0.00 C ATOM 1220 O LEU A 80 -8.985 7.139 -4.556 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.689 7.604 -1.630 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.108 8.573 -0.499 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.267 8.404 0.771 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.983 10.033 -0.948 1.00 0.00 C ATOM 0 H LEU A 80 -11.960 6.314 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.604 8.704 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.693 6.585 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.664 7.828 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.145 8.324 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.607 9.110 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.377 7.387 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.219 8.595 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.284 10.691 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.949 10.243 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.627 10.205 -1.810 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.812 5.840 -4.516 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.410 4.970 -5.620 1.00 0.00 C ATOM 1238 C LEU A 81 -11.206 5.243 -6.896 1.00 0.00 C ATOM 1239 O LEU A 81 -11.034 4.522 -7.881 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.515 3.494 -5.180 1.00 0.00 C ATOM 1241 CG LEU A 81 -9.203 2.893 -4.651 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.089 2.874 -5.713 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.697 3.575 -3.380 1.00 0.00 C ATOM 0 H LEU A 81 -11.728 5.608 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.371 5.189 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.276 3.412 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.857 2.899 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.454 1.863 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.186 2.439 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.410 2.277 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.881 3.893 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.768 3.103 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.517 4.631 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.444 3.477 -2.593 1.00 0.00 H new