USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 445 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 Single : A 1 GLU N :NH3+ -172:sc= -0.188 (180deg=-0.297) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.903) USER MOD Single : A 9 ASN : amide:sc= -0.596 K(o=-0.6,f=-1.9) USER MOD Single : A 11 GLN : amide:sc=-0.00222 X(o=-0.0022,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0339) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -2.39! (180deg=-2.93!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.5!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.55 F(o=-3.1!,f=-1.5) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.990 10.388 -6.212 1.00 0.00 N ATOM 2 CA GLU A 1 -18.440 8.982 -6.431 1.00 0.00 C ATOM 3 C GLU A 1 -17.585 8.035 -5.584 1.00 0.00 C ATOM 4 O GLU A 1 -17.898 6.870 -5.444 1.00 0.00 O ATOM 5 CB GLU A 1 -18.309 8.597 -7.904 1.00 0.00 C ATOM 6 CG GLU A 1 -19.582 7.875 -8.350 1.00 0.00 C ATOM 7 CD GLU A 1 -20.728 8.882 -8.445 1.00 0.00 C ATOM 8 OE1 GLU A 1 -20.835 9.484 -9.500 1.00 0.00 O ATOM 9 OE2 GLU A 1 -21.434 8.994 -7.455 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.652 11.041 -6.678 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.965 10.590 -5.192 1.00 0.00 H new ATOM 0 H3 GLU A 1 -17.039 10.515 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 1 -19.487 8.903 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.149 9.487 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -17.442 7.953 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -19.423 7.396 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -19.834 7.086 -7.641 1.00 0.00 H new ATOM 18 N ALA A 2 -16.523 8.558 -5.036 1.00 0.00 N ATOM 19 CA ALA A 2 -15.635 7.701 -4.195 1.00 0.00 C ATOM 20 C ALA A 2 -14.790 8.570 -3.259 1.00 0.00 C ATOM 21 O ALA A 2 -14.142 9.502 -3.691 1.00 0.00 O ATOM 22 CB ALA A 2 -14.716 6.890 -5.106 1.00 0.00 C ATOM 0 H ALA A 2 -16.232 9.531 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.249 7.031 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.064 6.262 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.317 6.261 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.110 7.567 -5.707 1.00 0.00 H new ATOM 28 N GLU A 3 -14.816 8.246 -1.995 1.00 0.00 N ATOM 29 CA GLU A 3 -14.018 9.045 -1.018 1.00 0.00 C ATOM 30 C GLU A 3 -12.524 8.926 -1.336 1.00 0.00 C ATOM 31 O GLU A 3 -11.859 8.018 -0.877 1.00 0.00 O ATOM 32 CB GLU A 3 -14.283 8.519 0.391 1.00 0.00 C ATOM 33 CG GLU A 3 -15.615 9.081 0.893 1.00 0.00 C ATOM 34 CD GLU A 3 -15.877 8.568 2.311 1.00 0.00 C ATOM 35 OE1 GLU A 3 -16.046 7.365 2.428 1.00 0.00 O ATOM 36 OE2 GLU A 3 -15.897 9.408 3.195 1.00 0.00 O ATOM 0 H GLU A 3 -15.348 7.472 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.311 10.093 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.312 7.429 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.475 8.813 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.589 10.171 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.424 8.778 0.229 1.00 0.00 H new ATOM 43 N LYS A 4 -12.030 9.847 -2.115 1.00 0.00 N ATOM 44 CA LYS A 4 -10.582 9.805 -2.476 1.00 0.00 C ATOM 45 C LYS A 4 -9.731 10.322 -1.310 1.00 0.00 C ATOM 46 O LYS A 4 -10.143 11.200 -0.579 1.00 0.00 O ATOM 47 CB LYS A 4 -10.351 10.684 -3.705 1.00 0.00 C ATOM 48 CG LYS A 4 -9.139 10.163 -4.480 1.00 0.00 C ATOM 49 CD LYS A 4 -9.606 9.131 -5.510 1.00 0.00 C ATOM 50 CE LYS A 4 -10.005 9.853 -6.799 1.00 0.00 C ATOM 51 NZ LYS A 4 -8.805 10.122 -7.640 1.00 0.00 N ATOM 0 H LYS A 4 -12.559 10.622 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.293 8.776 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.235 10.677 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.186 11.718 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.629 10.987 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.421 9.712 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.810 8.415 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.452 8.566 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.718 9.246 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.505 10.791 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.094 10.612 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.138 10.719 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.345 9.222 -7.886 1.00 0.00 H new ATOM 65 N CYS A 5 -8.559 9.766 -1.165 1.00 0.00 N ATOM 66 CA CYS A 5 -7.665 10.221 -0.058 1.00 0.00 C ATOM 67 C CYS A 5 -6.786 11.378 -0.552 1.00 0.00 C ATOM 68 O CYS A 5 -6.591 11.542 -1.740 1.00 0.00 O ATOM 69 CB CYS A 5 -6.792 9.052 0.395 1.00 0.00 C ATOM 70 SG CYS A 5 -7.534 7.396 0.358 1.00 0.00 S ATOM 0 H CYS A 5 -8.183 9.025 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.264 10.568 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.899 9.036 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.463 9.252 1.415 1.00 0.00 H new ATOM 75 N THR A 6 -6.269 12.149 0.371 1.00 0.00 N ATOM 76 CA THR A 6 -5.421 13.312 -0.035 1.00 0.00 C ATOM 77 C THR A 6 -3.927 13.006 0.140 1.00 0.00 C ATOM 78 O THR A 6 -3.193 12.925 -0.823 1.00 0.00 O ATOM 79 CB THR A 6 -5.792 14.514 0.832 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.219 13.952 2.069 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.012 15.249 0.280 1.00 0.00 C ATOM 0 H THR A 6 -6.395 12.027 1.376 1.00 0.00 H new ATOM 0 HA THR A 6 -5.602 13.522 -1.089 1.00 0.00 H new ATOM 0 HB THR A 6 -4.950 15.203 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.474 14.671 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.247 16.098 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.797 15.605 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.864 14.570 0.251 1.00 0.00 H new ATOM 89 N LYS A 7 -3.516 12.851 1.370 1.00 0.00 N ATOM 90 CA LYS A 7 -2.068 12.570 1.638 1.00 0.00 C ATOM 91 C LYS A 7 -1.513 11.546 0.605 1.00 0.00 C ATOM 92 O LYS A 7 -2.238 10.680 0.157 1.00 0.00 O ATOM 93 CB LYS A 7 -1.927 11.991 3.052 1.00 0.00 C ATOM 94 CG LYS A 7 -2.815 12.778 4.023 1.00 0.00 C ATOM 95 CD LYS A 7 -2.573 14.278 3.833 1.00 0.00 C ATOM 96 CE LYS A 7 -3.090 15.030 5.060 1.00 0.00 C ATOM 97 NZ LYS A 7 -4.302 14.362 5.610 1.00 0.00 N ATOM 0 H LYS A 7 -4.111 12.905 2.197 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.502 13.497 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.212 10.939 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.887 12.040 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.864 12.543 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.593 12.490 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.509 14.472 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.081 14.630 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.313 15.071 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.326 16.059 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.830 15.034 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.907 14.041 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.017 13.544 6.185 1.00 0.00 H new ATOM 111 N PRO A 8 -0.228 11.662 0.243 1.00 0.00 N ATOM 112 CA PRO A 8 0.383 10.729 -0.720 1.00 0.00 C ATOM 113 C PRO A 8 0.319 9.289 -0.200 1.00 0.00 C ATOM 114 O PRO A 8 -0.117 9.048 0.907 1.00 0.00 O ATOM 115 CB PRO A 8 1.844 11.174 -0.850 1.00 0.00 C ATOM 116 CG PRO A 8 2.064 12.350 0.147 1.00 0.00 C ATOM 117 CD PRO A 8 0.692 12.704 0.748 1.00 0.00 C ATOM 0 HA PRO A 8 -0.140 10.746 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.518 10.348 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.059 11.491 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.764 12.063 0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.493 13.212 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.727 12.705 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.370 13.698 0.438 1.00 0.00 H new ATOM 125 N ASN A 9 0.766 8.365 -1.013 1.00 0.00 N ATOM 126 CA ASN A 9 0.748 6.932 -0.591 1.00 0.00 C ATOM 127 C ASN A 9 -0.666 6.515 -0.168 1.00 0.00 C ATOM 128 O ASN A 9 -1.393 5.919 -0.939 1.00 0.00 O ATOM 129 CB ASN A 9 1.719 6.738 0.576 1.00 0.00 C ATOM 130 CG ASN A 9 3.119 7.203 0.157 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.748 6.625 -0.713 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.642 8.241 0.749 1.00 0.00 N ATOM 0 H ASN A 9 1.141 8.540 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 9 1.054 6.309 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.380 7.305 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.745 5.689 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.572 8.565 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.121 8.729 1.478 1.00 0.00 H new ATOM 139 N GLU A 10 -1.022 6.833 1.045 1.00 0.00 N ATOM 140 CA GLU A 10 -2.385 6.465 1.528 1.00 0.00 C ATOM 141 C GLU A 10 -3.431 6.785 0.455 1.00 0.00 C ATOM 142 O GLU A 10 -3.777 7.931 0.245 1.00 0.00 O ATOM 143 CB GLU A 10 -2.695 7.259 2.797 1.00 0.00 C ATOM 144 CG GLU A 10 -2.095 6.533 4.003 1.00 0.00 C ATOM 145 CD GLU A 10 -1.762 7.554 5.093 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.654 8.332 5.396 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.638 7.498 5.563 1.00 0.00 O ATOM 0 H GLU A 10 -0.436 7.327 1.718 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.416 5.396 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.283 8.265 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.773 7.365 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.799 5.793 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.195 5.994 3.707 1.00 0.00 H new ATOM 154 N GLN A 11 -3.907 5.760 -0.201 1.00 0.00 N ATOM 155 CA GLN A 11 -4.932 5.970 -1.264 1.00 0.00 C ATOM 156 C GLN A 11 -6.016 4.905 -1.145 1.00 0.00 C ATOM 157 O GLN A 11 -5.786 3.845 -0.602 1.00 0.00 O ATOM 158 CB GLN A 11 -4.269 5.866 -2.631 1.00 0.00 C ATOM 159 CG GLN A 11 -4.856 6.932 -3.554 1.00 0.00 C ATOM 160 CD GLN A 11 -4.510 6.590 -5.005 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.798 5.513 -5.486 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.894 7.479 -5.735 1.00 0.00 N ATOM 0 H GLN A 11 -3.631 4.790 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.379 6.957 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.192 6.002 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.430 4.874 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.938 6.983 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.458 7.913 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.650 8.385 -5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.657 7.267 -6.704 1.00 0.00 H new ATOM 171 N TRP A 12 -7.172 5.196 -1.658 1.00 0.00 N ATOM 172 CA TRP A 12 -8.268 4.199 -1.562 1.00 0.00 C ATOM 173 C TRP A 12 -7.839 2.868 -2.151 1.00 0.00 C ATOM 174 O TRP A 12 -7.304 2.810 -3.240 1.00 0.00 O ATOM 175 CB TRP A 12 -9.483 4.677 -2.332 1.00 0.00 C ATOM 176 CG TRP A 12 -10.552 3.581 -2.258 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.803 2.695 -3.224 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.347 3.390 -1.235 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.811 1.959 -2.718 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.214 2.340 -1.464 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.385 4.065 -0.037 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.124 1.977 -0.502 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.293 3.701 0.932 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.166 2.655 0.699 1.00 0.00 C ATOM 0 H TRP A 12 -7.405 6.068 -2.134 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.509 4.078 -0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.861 5.607 -1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.220 4.883 -3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.315 2.593 -4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.238 1.184 -3.225 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.702 4.882 0.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -13.807 1.161 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.323 4.232 1.872 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.881 2.369 1.457 1.00 0.00 H new ATOM 195 N THR A 13 -8.082 1.826 -1.421 1.00 0.00 N ATOM 196 CA THR A 13 -7.734 0.486 -1.942 1.00 0.00 C ATOM 197 C THR A 13 -8.761 -0.530 -1.440 1.00 0.00 C ATOM 198 O THR A 13 -8.922 -0.724 -0.249 1.00 0.00 O ATOM 199 CB THR A 13 -6.327 0.098 -1.483 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.999 -1.053 -2.255 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.315 -0.373 -0.037 1.00 0.00 C ATOM 0 H THR A 13 -8.504 1.843 -0.492 1.00 0.00 H new ATOM 0 HA THR A 13 -7.748 0.499 -3.032 1.00 0.00 H new ATOM 0 HB THR A 13 -5.655 0.950 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.101 -1.362 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.298 -0.639 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.677 0.427 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.961 -1.245 0.067 1.00 0.00 H new ATOM 209 N LYS A 14 -9.441 -1.145 -2.360 1.00 0.00 N ATOM 210 CA LYS A 14 -10.479 -2.135 -1.964 1.00 0.00 C ATOM 211 C LYS A 14 -9.878 -3.226 -1.063 1.00 0.00 C ATOM 212 O LYS A 14 -10.477 -3.611 -0.079 1.00 0.00 O ATOM 213 CB LYS A 14 -11.065 -2.764 -3.223 1.00 0.00 C ATOM 214 CG LYS A 14 -11.633 -1.654 -4.115 1.00 0.00 C ATOM 215 CD LYS A 14 -12.890 -2.168 -4.815 1.00 0.00 C ATOM 216 CE LYS A 14 -13.394 -1.104 -5.791 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.875 -0.980 -5.701 1.00 0.00 N ATOM 0 H LYS A 14 -9.326 -1.008 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.262 -1.627 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.297 -3.322 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.849 -3.474 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.869 -0.775 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.891 -1.348 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.671 -3.093 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.661 -2.399 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.928 -0.145 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.106 -1.368 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.204 -0.254 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.315 -1.892 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.142 -0.707 -4.734 1.00 0.00 H new ATOM 231 N CYS A 15 -8.704 -3.698 -1.421 1.00 0.00 N ATOM 232 CA CYS A 15 -8.045 -4.766 -0.594 1.00 0.00 C ATOM 233 C CYS A 15 -6.699 -4.271 -0.052 1.00 0.00 C ATOM 234 O CYS A 15 -5.739 -4.153 -0.787 1.00 0.00 O ATOM 235 CB CYS A 15 -7.808 -6.003 -1.461 1.00 0.00 C ATOM 236 SG CYS A 15 -6.325 -6.985 -1.107 1.00 0.00 S ATOM 0 H CYS A 15 -8.178 -3.395 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.697 -5.012 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.676 -6.655 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.762 -5.683 -2.502 1.00 0.00 H new ATOM 241 N GLY A 16 -6.661 -3.994 1.223 1.00 0.00 N ATOM 242 CA GLY A 16 -5.385 -3.516 1.829 1.00 0.00 C ATOM 243 C GLY A 16 -4.621 -4.691 2.449 1.00 0.00 C ATOM 244 O GLY A 16 -4.693 -5.805 1.968 1.00 0.00 O ATOM 0 H GLY A 16 -7.449 -4.077 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.771 -3.034 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.595 -2.766 2.592 1.00 0.00 H new ATOM 248 N GLY A 17 -3.902 -4.417 3.503 1.00 0.00 N ATOM 249 CA GLY A 17 -3.134 -5.506 4.174 1.00 0.00 C ATOM 250 C GLY A 17 -1.999 -6.008 3.280 1.00 0.00 C ATOM 251 O GLY A 17 -0.845 -5.694 3.503 1.00 0.00 O ATOM 0 H GLY A 17 -3.813 -3.493 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.725 -5.140 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.803 -6.332 4.416 1.00 0.00 H new ATOM 255 N CYS A 18 -2.346 -6.778 2.286 1.00 0.00 N ATOM 256 CA CYS A 18 -1.292 -7.314 1.376 1.00 0.00 C ATOM 257 C CYS A 18 -0.963 -6.298 0.281 1.00 0.00 C ATOM 258 O CYS A 18 -1.833 -5.615 -0.220 1.00 0.00 O ATOM 259 CB CYS A 18 -1.792 -8.604 0.733 1.00 0.00 C ATOM 260 SG CYS A 18 -2.232 -9.965 1.839 1.00 0.00 S ATOM 0 H CYS A 18 -3.302 -7.057 2.065 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.391 -7.510 1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.667 -8.363 0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.022 -8.961 0.049 1.00 0.00 H new ATOM 265 N GLU A 19 0.292 -6.224 -0.065 1.00 0.00 N ATOM 266 CA GLU A 19 0.705 -5.263 -1.126 1.00 0.00 C ATOM 267 C GLU A 19 2.119 -5.596 -1.626 1.00 0.00 C ATOM 268 O GLU A 19 2.548 -6.733 -1.557 1.00 0.00 O ATOM 269 CB GLU A 19 0.654 -3.830 -0.568 1.00 0.00 C ATOM 270 CG GLU A 19 1.837 -3.572 0.379 1.00 0.00 C ATOM 271 CD GLU A 19 2.196 -4.853 1.138 1.00 0.00 C ATOM 272 OE1 GLU A 19 1.427 -5.192 2.021 1.00 0.00 O ATOM 273 OE2 GLU A 19 3.219 -5.419 0.790 1.00 0.00 O ATOM 0 H GLU A 19 1.045 -6.783 0.337 1.00 0.00 H new ATOM 0 HA GLU A 19 0.019 -5.341 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.677 -3.114 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.285 -3.675 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.699 -3.224 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.582 -2.782 1.085 1.00 0.00 H new ATOM 280 N GLY A 20 2.806 -4.603 -2.118 1.00 0.00 N ATOM 281 CA GLY A 20 4.185 -4.843 -2.632 1.00 0.00 C ATOM 282 C GLY A 20 5.236 -4.407 -1.609 1.00 0.00 C ATOM 283 O GLY A 20 4.932 -3.730 -0.646 1.00 0.00 O ATOM 0 H GLY A 20 2.475 -3.640 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.312 -5.901 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.330 -4.296 -3.563 1.00 0.00 H new ATOM 287 N THR A 21 6.455 -4.814 -1.842 1.00 0.00 N ATOM 288 CA THR A 21 7.558 -4.433 -0.914 1.00 0.00 C ATOM 289 C THR A 21 8.767 -3.978 -1.732 1.00 0.00 C ATOM 290 O THR A 21 8.767 -4.079 -2.942 1.00 0.00 O ATOM 291 CB THR A 21 7.939 -5.645 -0.060 1.00 0.00 C ATOM 292 OG1 THR A 21 8.724 -6.465 -0.923 1.00 0.00 O ATOM 293 CG2 THR A 21 6.718 -6.489 0.294 1.00 0.00 C ATOM 0 H THR A 21 6.734 -5.393 -2.634 1.00 0.00 H new ATOM 0 HA THR A 21 7.233 -3.620 -0.264 1.00 0.00 H new ATOM 0 HB THR A 21 8.429 -5.314 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.009 -7.269 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.027 -7.340 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.007 -5.883 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.246 -6.848 -0.621 1.00 0.00 H new ATOM 301 N CYS A 22 9.774 -3.492 -1.065 1.00 0.00 N ATOM 302 CA CYS A 22 10.977 -3.039 -1.815 1.00 0.00 C ATOM 303 C CYS A 22 11.730 -4.258 -2.345 1.00 0.00 C ATOM 304 O CYS A 22 12.833 -4.147 -2.845 1.00 0.00 O ATOM 305 CB CYS A 22 11.882 -2.233 -0.886 1.00 0.00 C ATOM 306 SG CYS A 22 12.862 -0.907 -1.623 1.00 0.00 S ATOM 0 H CYS A 22 9.818 -3.389 -0.051 1.00 0.00 H new ATOM 0 HA CYS A 22 10.674 -2.411 -2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.260 -1.797 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.567 -2.927 -0.398 1.00 0.00 H new ATOM 311 N ALA A 23 11.104 -5.401 -2.217 1.00 0.00 N ATOM 312 CA ALA A 23 11.740 -6.661 -2.701 1.00 0.00 C ATOM 313 C ALA A 23 10.733 -7.489 -3.517 1.00 0.00 C ATOM 314 O ALA A 23 11.114 -8.343 -4.293 1.00 0.00 O ATOM 315 CB ALA A 23 12.204 -7.471 -1.493 1.00 0.00 C ATOM 0 H ALA A 23 10.181 -5.515 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 23 12.588 -6.416 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.671 -8.395 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.926 -6.889 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.347 -7.708 -0.863 1.00 0.00 H new ATOM 321 N GLN A 24 9.464 -7.219 -3.322 1.00 0.00 N ATOM 322 CA GLN A 24 8.428 -7.981 -4.079 1.00 0.00 C ATOM 323 C GLN A 24 7.204 -7.103 -4.314 1.00 0.00 C ATOM 324 O GLN A 24 6.269 -7.109 -3.540 1.00 0.00 O ATOM 325 CB GLN A 24 8.022 -9.217 -3.276 1.00 0.00 C ATOM 326 CG GLN A 24 9.235 -10.136 -3.118 1.00 0.00 C ATOM 327 CD GLN A 24 8.768 -11.508 -2.629 1.00 0.00 C ATOM 328 OE1 GLN A 24 7.571 -11.629 -2.123 1.00 0.00 O flip ATOM 329 NE2 GLN A 24 9.490 -12.485 -2.705 1.00 0.00 N flip ATOM 0 H GLN A 24 9.107 -6.512 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 24 8.838 -8.286 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.645 -8.921 -2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.214 -9.745 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.758 -10.235 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.942 -9.706 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.427 -12.398 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.158 -13.391 -2.374 1.00 0.00 H new ATOM 338 N LYS A 25 7.237 -6.364 -5.384 1.00 0.00 N ATOM 339 CA LYS A 25 6.088 -5.473 -5.689 1.00 0.00 C ATOM 340 C LYS A 25 4.771 -6.254 -5.550 1.00 0.00 C ATOM 341 O LYS A 25 3.728 -5.675 -5.319 1.00 0.00 O ATOM 342 CB LYS A 25 6.250 -4.942 -7.131 1.00 0.00 C ATOM 343 CG LYS A 25 5.443 -3.630 -7.332 1.00 0.00 C ATOM 344 CD LYS A 25 4.018 -3.948 -7.782 1.00 0.00 C ATOM 345 CE LYS A 25 3.903 -3.729 -9.292 1.00 0.00 C ATOM 346 NZ LYS A 25 3.818 -2.276 -9.605 1.00 0.00 N ATOM 0 H LYS A 25 8.004 -6.338 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 25 6.064 -4.636 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.304 -4.761 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.909 -5.696 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.420 -3.063 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.935 -3.003 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.767 -4.979 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.307 -3.311 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.766 -4.165 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.019 -4.241 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.522 -2.151 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.123 -1.825 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.749 -1.835 -9.464 1.00 0.00 H new ATOM 360 N ILE A 26 4.855 -7.557 -5.687 1.00 0.00 N ATOM 361 CA ILE A 26 3.620 -8.403 -5.566 1.00 0.00 C ATOM 362 C ILE A 26 3.829 -9.488 -4.503 1.00 0.00 C ATOM 363 O ILE A 26 4.605 -10.405 -4.695 1.00 0.00 O ATOM 364 CB ILE A 26 3.332 -9.075 -6.922 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.229 -8.006 -8.039 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.029 -9.888 -6.830 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.850 -7.312 -8.027 1.00 0.00 C ATOM 0 H ILE A 26 5.717 -8.069 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 26 2.781 -7.771 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 26 4.152 -9.749 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.014 -7.262 -7.906 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.394 -8.474 -9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.828 -10.362 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.132 -10.654 -6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.203 -9.224 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.810 -6.568 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.068 -8.054 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.697 -6.823 -7.065 1.00 0.00 H new ATOM 379 N VAL A 27 3.129 -9.364 -3.404 1.00 0.00 N ATOM 380 CA VAL A 27 3.275 -10.384 -2.321 1.00 0.00 C ATOM 381 C VAL A 27 2.106 -11.415 -2.402 1.00 0.00 C ATOM 382 O VAL A 27 0.964 -11.023 -2.530 1.00 0.00 O ATOM 383 CB VAL A 27 3.217 -9.668 -0.972 1.00 0.00 C ATOM 384 CG1 VAL A 27 1.769 -9.260 -0.679 1.00 0.00 C ATOM 385 CG2 VAL A 27 3.705 -10.616 0.123 1.00 0.00 C ATOM 0 H VAL A 27 2.470 -8.610 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 27 4.223 -10.909 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 27 3.850 -8.781 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.723 -8.749 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.414 -8.591 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.140 -10.149 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.665 -10.109 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.067 -11.499 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.731 -10.917 -0.087 1.00 0.00 H new ATOM 395 N PRO A 28 2.401 -12.724 -2.324 1.00 0.00 N ATOM 396 CA PRO A 28 1.337 -13.742 -2.382 1.00 0.00 C ATOM 397 C PRO A 28 0.401 -13.611 -1.178 1.00 0.00 C ATOM 398 O PRO A 28 0.817 -13.226 -0.104 1.00 0.00 O ATOM 399 CB PRO A 28 2.059 -15.090 -2.336 1.00 0.00 C ATOM 400 CG PRO A 28 3.566 -14.800 -2.081 1.00 0.00 C ATOM 401 CD PRO A 28 3.764 -13.276 -2.182 1.00 0.00 C ATOM 0 HA PRO A 28 0.727 -13.632 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.650 -15.718 -1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.925 -15.630 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.866 -15.162 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.186 -15.317 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.259 -12.882 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.387 -13.014 -3.037 1.00 0.00 H new ATOM 409 N CYS A 29 -0.845 -13.938 -1.380 1.00 0.00 N ATOM 410 CA CYS A 29 -1.812 -13.837 -0.252 1.00 0.00 C ATOM 411 C CYS A 29 -3.105 -14.592 -0.580 1.00 0.00 C ATOM 412 O CYS A 29 -3.223 -15.211 -1.620 1.00 0.00 O ATOM 413 CB CYS A 29 -2.125 -12.366 0.010 1.00 0.00 C ATOM 414 SG CYS A 29 -1.082 -11.500 1.206 1.00 0.00 S ATOM 0 H CYS A 29 -1.232 -14.267 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.368 -14.285 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.064 -11.833 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.158 -12.296 0.350 1.00 0.00 H new ATOM 419 N THR A 30 -4.044 -14.519 0.323 1.00 0.00 N ATOM 420 CA THR A 30 -5.343 -15.221 0.107 1.00 0.00 C ATOM 421 C THR A 30 -6.496 -14.295 0.469 1.00 0.00 C ATOM 422 O THR A 30 -6.424 -13.099 0.266 1.00 0.00 O ATOM 423 CB THR A 30 -5.375 -16.473 0.991 1.00 0.00 C ATOM 424 OG1 THR A 30 -5.876 -16.029 2.247 1.00 0.00 O ATOM 425 CG2 THR A 30 -3.966 -16.979 1.278 1.00 0.00 C ATOM 0 H THR A 30 -3.969 -14.004 1.201 1.00 0.00 H new ATOM 0 HA THR A 30 -5.444 -15.507 -0.940 1.00 0.00 H new ATOM 0 HB THR A 30 -5.958 -17.256 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.925 -16.787 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.020 -17.868 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.471 -17.228 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.399 -16.204 1.793 1.00 0.00 H new ATOM 433 N ARG A 31 -7.539 -14.865 0.979 1.00 0.00 N ATOM 434 CA ARG A 31 -8.712 -14.030 1.367 1.00 0.00 C ATOM 435 C ARG A 31 -8.400 -13.217 2.630 1.00 0.00 C ATOM 436 O ARG A 31 -9.260 -13.007 3.462 1.00 0.00 O ATOM 437 CB ARG A 31 -9.914 -14.939 1.621 1.00 0.00 C ATOM 438 CG ARG A 31 -10.219 -15.736 0.351 1.00 0.00 C ATOM 439 CD ARG A 31 -11.716 -15.647 0.050 1.00 0.00 C ATOM 440 NE ARG A 31 -12.478 -16.008 1.280 1.00 0.00 N ATOM 441 CZ ARG A 31 -13.782 -16.053 1.234 1.00 0.00 C ATOM 442 NH1 ARG A 31 -14.363 -16.411 0.122 1.00 0.00 N ATOM 443 NH2 ARG A 31 -14.460 -15.737 2.304 1.00 0.00 N ATOM 0 H ARG A 31 -7.638 -15.866 1.146 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.938 -13.336 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.704 -15.617 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.781 -14.344 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.643 -15.343 -0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.923 -16.777 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.976 -14.639 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.977 -16.320 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.986 -16.218 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.799 -16.650 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.381 -16.452 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.970 -15.461 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.479 -15.766 2.289 1.00 0.00 H new ATOM 457 N GLU A 32 -7.171 -12.779 2.739 1.00 0.00 N ATOM 458 CA GLU A 32 -6.773 -11.960 3.932 1.00 0.00 C ATOM 459 C GLU A 32 -6.573 -10.498 3.516 1.00 0.00 C ATOM 460 O GLU A 32 -5.589 -9.879 3.869 1.00 0.00 O ATOM 461 CB GLU A 32 -5.462 -12.499 4.511 1.00 0.00 C ATOM 462 CG GLU A 32 -5.451 -14.026 4.421 1.00 0.00 C ATOM 463 CD GLU A 32 -4.768 -14.600 5.664 1.00 0.00 C ATOM 464 OE1 GLU A 32 -5.320 -14.390 6.731 1.00 0.00 O ATOM 465 OE2 GLU A 32 -3.732 -15.216 5.477 1.00 0.00 O ATOM 0 H GLU A 32 -6.429 -12.950 2.061 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.561 -12.021 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.614 -12.086 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.355 -12.185 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.470 -14.405 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.924 -14.345 3.522 1.00 0.00 H new ATOM 472 N CYS A 33 -7.511 -9.980 2.773 1.00 0.00 N ATOM 473 CA CYS A 33 -7.391 -8.562 2.316 1.00 0.00 C ATOM 474 C CYS A 33 -8.096 -7.622 3.297 1.00 0.00 C ATOM 475 O CYS A 33 -9.259 -7.800 3.603 1.00 0.00 O ATOM 476 CB CYS A 33 -8.044 -8.420 0.940 1.00 0.00 C ATOM 477 SG CYS A 33 -7.032 -8.787 -0.517 1.00 0.00 S ATOM 0 H CYS A 33 -8.350 -10.470 2.463 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.335 -8.298 2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.917 -9.072 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.408 -7.397 0.846 1.00 0.00 H new ATOM 482 N LYS A 34 -7.380 -6.639 3.773 1.00 0.00 N ATOM 483 CA LYS A 34 -8.009 -5.675 4.721 1.00 0.00 C ATOM 484 C LYS A 34 -9.247 -5.039 4.032 1.00 0.00 C ATOM 485 O LYS A 34 -9.271 -4.917 2.824 1.00 0.00 O ATOM 486 CB LYS A 34 -6.984 -4.588 5.055 1.00 0.00 C ATOM 487 CG LYS A 34 -5.895 -5.182 5.957 1.00 0.00 C ATOM 488 CD LYS A 34 -6.323 -5.081 7.425 1.00 0.00 C ATOM 489 CE LYS A 34 -5.755 -3.795 8.029 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.105 -2.620 7.183 1.00 0.00 N ATOM 0 H LYS A 34 -6.400 -6.463 3.551 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.322 -6.178 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.541 -4.196 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.472 -3.752 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.719 -6.224 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.955 -4.651 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.410 -5.082 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.964 -5.947 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.148 -3.655 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.672 -3.876 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.909 -1.744 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.536 -2.637 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.115 -2.658 6.937 1.00 0.00 H new ATOM 504 N PRO A 35 -10.257 -4.645 4.805 1.00 0.00 N ATOM 505 CA PRO A 35 -11.459 -4.043 4.215 1.00 0.00 C ATOM 506 C PRO A 35 -11.093 -2.780 3.401 1.00 0.00 C ATOM 507 O PRO A 35 -10.003 -2.258 3.520 1.00 0.00 O ATOM 508 CB PRO A 35 -12.352 -3.671 5.405 1.00 0.00 C ATOM 509 CG PRO A 35 -11.585 -4.061 6.703 1.00 0.00 C ATOM 510 CD PRO A 35 -10.281 -4.758 6.275 1.00 0.00 C ATOM 0 HA PRO A 35 -11.958 -4.727 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.576 -2.604 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.305 -4.198 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.369 -3.176 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.190 -4.724 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.411 -4.278 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.268 -5.801 6.592 1.00 0.00 H new ATOM 518 N PRO A 36 -12.026 -2.317 2.584 1.00 0.00 N ATOM 519 CA PRO A 36 -11.809 -1.116 1.760 1.00 0.00 C ATOM 520 C PRO A 36 -11.477 0.104 2.632 1.00 0.00 C ATOM 521 O PRO A 36 -12.228 0.451 3.523 1.00 0.00 O ATOM 522 CB PRO A 36 -13.137 -0.884 1.034 1.00 0.00 C ATOM 523 CG PRO A 36 -14.113 -2.016 1.461 1.00 0.00 C ATOM 524 CD PRO A 36 -13.349 -2.948 2.416 1.00 0.00 C ATOM 0 HA PRO A 36 -10.972 -1.253 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.548 0.092 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.989 -0.893 -0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.992 -1.599 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.467 -2.566 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.865 -3.044 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.258 -3.952 2.000 1.00 0.00 H new ATOM 532 N ARG A 37 -10.362 0.729 2.351 1.00 0.00 N ATOM 533 CA ARG A 37 -9.970 1.935 3.151 1.00 0.00 C ATOM 534 C ARG A 37 -8.695 2.561 2.570 1.00 0.00 C ATOM 535 O ARG A 37 -7.985 1.934 1.812 1.00 0.00 O ATOM 536 CB ARG A 37 -9.703 1.524 4.606 1.00 0.00 C ATOM 537 CG ARG A 37 -10.021 2.708 5.528 1.00 0.00 C ATOM 538 CD ARG A 37 -9.178 2.599 6.803 1.00 0.00 C ATOM 539 NE ARG A 37 -9.468 3.772 7.675 1.00 0.00 N ATOM 540 CZ ARG A 37 -9.953 3.577 8.871 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.196 3.200 8.995 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.178 3.769 9.904 1.00 0.00 N ATOM 0 H ARG A 37 -9.711 0.463 1.612 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.782 2.661 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.317 0.664 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.663 1.222 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.809 3.648 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.082 2.713 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.408 1.672 7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.118 2.569 6.552 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.289 4.719 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.772 3.062 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.591 3.043 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.212 4.066 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.539 3.622 10.847 1.00 0.00 H new ATOM 556 N CYS A 38 -8.446 3.795 2.923 1.00 0.00 N ATOM 557 CA CYS A 38 -7.202 4.460 2.419 1.00 0.00 C ATOM 558 C CYS A 38 -5.972 3.677 2.901 1.00 0.00 C ATOM 559 O CYS A 38 -5.690 3.629 4.082 1.00 0.00 O ATOM 560 CB CYS A 38 -7.139 5.890 2.961 1.00 0.00 C ATOM 561 SG CYS A 38 -8.252 7.119 2.227 1.00 0.00 S ATOM 0 H CYS A 38 -9.037 4.365 3.528 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.215 4.481 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.340 5.852 4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.117 6.249 2.841 1.00 0.00 H new ATOM 566 N GLU A 39 -5.263 3.081 1.978 1.00 0.00 N ATOM 567 CA GLU A 39 -4.056 2.292 2.380 1.00 0.00 C ATOM 568 C GLU A 39 -3.067 2.187 1.211 1.00 0.00 C ATOM 569 O GLU A 39 -3.194 2.879 0.220 1.00 0.00 O ATOM 570 CB GLU A 39 -4.498 0.893 2.813 1.00 0.00 C ATOM 571 CG GLU A 39 -4.141 0.688 4.286 1.00 0.00 C ATOM 572 CD GLU A 39 -4.606 -0.701 4.729 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.158 -1.646 4.102 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.384 -0.736 5.669 1.00 0.00 O ATOM 0 H GLU A 39 -5.461 3.104 0.978 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.557 2.797 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.572 0.776 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.008 0.137 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.065 0.787 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.615 1.455 4.898 1.00 0.00 H new ATOM 581 N CYS A 40 -2.102 1.317 1.352 1.00 0.00 N ATOM 582 CA CYS A 40 -1.083 1.156 0.269 1.00 0.00 C ATOM 583 C CYS A 40 -1.721 0.605 -1.010 1.00 0.00 C ATOM 584 O CYS A 40 -2.816 0.079 -0.990 1.00 0.00 O ATOM 585 CB CYS A 40 0.004 0.196 0.746 1.00 0.00 C ATOM 586 SG CYS A 40 1.710 0.592 0.302 1.00 0.00 S ATOM 0 H CYS A 40 -1.974 0.714 2.164 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.655 2.133 0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.056 0.131 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.225 -0.795 0.355 1.00 0.00 H new ATOM 591 N ILE A 41 -1.006 0.739 -2.101 1.00 0.00 N ATOM 592 CA ILE A 41 -1.533 0.238 -3.408 1.00 0.00 C ATOM 593 C ILE A 41 -0.419 -0.466 -4.188 1.00 0.00 C ATOM 594 O ILE A 41 0.467 0.174 -4.720 1.00 0.00 O ATOM 595 CB ILE A 41 -2.041 1.422 -4.238 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.002 2.266 -3.400 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.773 0.894 -5.471 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.222 3.422 -2.766 1.00 0.00 C ATOM 0 H ILE A 41 -0.083 1.172 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.344 -0.464 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.196 2.038 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.807 2.652 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.465 1.654 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.137 1.732 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.089 0.294 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.616 0.279 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.898 4.031 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.432 3.022 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.780 4.036 -3.551 1.00 0.00 H new ATOM 610 N ALA A 42 -0.484 -1.764 -4.245 1.00 0.00 N ATOM 611 CA ALA A 42 0.568 -2.511 -4.993 1.00 0.00 C ATOM 612 C ALA A 42 0.343 -2.365 -6.500 1.00 0.00 C ATOM 613 O ALA A 42 1.272 -2.166 -7.256 1.00 0.00 O ATOM 614 CB ALA A 42 0.503 -3.988 -4.611 1.00 0.00 C ATOM 0 H ALA A 42 -1.209 -2.337 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 42 1.547 -2.105 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.270 -4.539 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.671 -4.094 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.479 -4.387 -4.865 1.00 0.00 H new ATOM 620 N SER A 43 -0.895 -2.453 -6.902 1.00 0.00 N ATOM 621 CA SER A 43 -1.211 -2.333 -8.354 1.00 0.00 C ATOM 622 C SER A 43 -0.611 -1.046 -8.927 1.00 0.00 C ATOM 623 O SER A 43 -0.623 -0.836 -10.125 1.00 0.00 O ATOM 624 CB SER A 43 -2.726 -2.307 -8.534 1.00 0.00 C ATOM 625 OG SER A 43 -3.126 -3.650 -8.301 1.00 0.00 O ATOM 0 H SER A 43 -1.698 -2.602 -6.291 1.00 0.00 H new ATOM 0 HA SER A 43 -0.784 -3.185 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.199 -1.622 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.003 -1.977 -9.535 1.00 0.00 H new ATOM 0 HG SER A 43 -4.099 -3.723 -8.396 1.00 0.00 H new ATOM 631 N ALA A 44 -0.094 -0.213 -8.059 1.00 0.00 N ATOM 632 CA ALA A 44 0.508 1.071 -8.536 1.00 0.00 C ATOM 633 C ALA A 44 2.035 0.991 -8.495 1.00 0.00 C ATOM 634 O ALA A 44 2.702 1.359 -9.442 1.00 0.00 O ATOM 635 CB ALA A 44 0.040 2.207 -7.634 1.00 0.00 C ATOM 0 H ALA A 44 -0.062 -0.363 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 44 0.191 1.252 -9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.475 3.146 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.047 2.276 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.357 2.012 -6.609 1.00 0.00 H new ATOM 641 N GLY A 45 2.554 0.504 -7.398 1.00 0.00 N ATOM 642 CA GLY A 45 4.040 0.391 -7.267 1.00 0.00 C ATOM 643 C GLY A 45 4.505 0.889 -5.894 1.00 0.00 C ATOM 644 O GLY A 45 5.639 1.300 -5.733 1.00 0.00 O ATOM 0 H GLY A 45 2.019 0.181 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.344 -0.647 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.524 0.971 -8.052 1.00 0.00 H new ATOM 648 N PHE A 46 3.622 0.849 -4.934 1.00 0.00 N ATOM 649 CA PHE A 46 4.013 1.310 -3.566 1.00 0.00 C ATOM 650 C PHE A 46 4.590 0.135 -2.770 1.00 0.00 C ATOM 651 O PHE A 46 4.182 -0.995 -2.954 1.00 0.00 O ATOM 652 CB PHE A 46 2.779 1.858 -2.849 1.00 0.00 C ATOM 653 CG PHE A 46 2.420 3.228 -3.432 1.00 0.00 C ATOM 654 CD1 PHE A 46 1.588 3.325 -4.533 1.00 0.00 C ATOM 655 CD2 PHE A 46 2.924 4.387 -2.864 1.00 0.00 C ATOM 656 CE1 PHE A 46 1.263 4.561 -5.056 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.595 5.621 -3.391 1.00 0.00 C ATOM 658 CZ PHE A 46 1.768 5.705 -4.487 1.00 0.00 C ATOM 0 H PHE A 46 2.660 0.523 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 46 4.768 2.092 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.942 1.170 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.974 1.945 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.190 2.429 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.577 4.325 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.611 4.629 -5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.988 6.521 -2.942 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.516 6.670 -4.900 1.00 0.00 H new ATOM 668 N VAL A 47 5.530 0.431 -1.901 1.00 0.00 N ATOM 669 CA VAL A 47 6.155 -0.660 -1.082 1.00 0.00 C ATOM 670 C VAL A 47 6.048 -0.342 0.408 1.00 0.00 C ATOM 671 O VAL A 47 5.823 0.788 0.792 1.00 0.00 O ATOM 672 CB VAL A 47 7.623 -0.793 -1.465 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.717 -1.223 -2.923 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.315 0.557 -1.293 1.00 0.00 C ATOM 0 H VAL A 47 5.888 1.370 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 47 5.629 -1.594 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 47 8.106 -1.534 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.765 -1.321 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.215 -2.182 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.239 -0.475 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.366 0.465 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.836 1.296 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.237 0.876 -0.254 1.00 0.00 H new ATOM 684 N ARG A 48 6.211 -1.353 1.217 1.00 0.00 N ATOM 685 CA ARG A 48 6.122 -1.135 2.688 1.00 0.00 C ATOM 686 C ARG A 48 7.516 -0.938 3.297 1.00 0.00 C ATOM 687 O ARG A 48 8.422 -1.705 3.039 1.00 0.00 O ATOM 688 CB ARG A 48 5.462 -2.353 3.334 1.00 0.00 C ATOM 689 CG ARG A 48 4.055 -2.536 2.759 1.00 0.00 C ATOM 690 CD ARG A 48 3.059 -1.763 3.620 1.00 0.00 C ATOM 691 NE ARG A 48 2.770 -2.553 4.851 1.00 0.00 N ATOM 692 CZ ARG A 48 1.615 -2.418 5.442 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.525 -2.498 4.727 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.587 -2.208 6.730 1.00 0.00 N ATOM 0 H ARG A 48 6.400 -2.312 0.926 1.00 0.00 H new ATOM 0 HA ARG A 48 5.531 -0.238 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.061 -3.245 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.411 -2.222 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.020 -2.178 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.792 -3.594 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.467 -0.788 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.139 -1.583 3.063 1.00 0.00 H new ATOM 0 HE ARG A 48 3.469 -3.193 5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.585 -2.664 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.386 -2.395 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.459 -2.152 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.693 -2.100 7.210 1.00 0.00 H new ATOM 708 N ASP A 49 7.658 0.092 4.093 1.00 0.00 N ATOM 709 CA ASP A 49 8.982 0.341 4.735 1.00 0.00 C ATOM 710 C ASP A 49 9.104 -0.490 6.014 1.00 0.00 C ATOM 711 O ASP A 49 8.119 -0.778 6.666 1.00 0.00 O ATOM 712 CB ASP A 49 9.106 1.820 5.086 1.00 0.00 C ATOM 713 CG ASP A 49 10.587 2.178 5.235 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.225 2.286 4.202 1.00 0.00 O ATOM 715 OD2 ASP A 49 10.996 2.322 6.376 1.00 0.00 O ATOM 0 H ASP A 49 6.924 0.762 4.323 1.00 0.00 H new ATOM 0 HA ASP A 49 9.774 0.058 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.648 2.431 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.573 2.032 6.013 1.00 0.00 H new ATOM 720 N ALA A 50 10.316 -0.838 6.349 1.00 0.00 N ATOM 721 CA ALA A 50 10.538 -1.659 7.572 1.00 0.00 C ATOM 722 C ALA A 50 9.728 -1.095 8.734 1.00 0.00 C ATOM 723 O ALA A 50 9.313 -1.818 9.618 1.00 0.00 O ATOM 724 CB ALA A 50 12.023 -1.638 7.926 1.00 0.00 C ATOM 0 H ALA A 50 11.159 -0.590 5.831 1.00 0.00 H new ATOM 0 HA ALA A 50 10.218 -2.683 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.192 -2.237 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.600 -2.050 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.338 -0.611 8.112 1.00 0.00 H new ATOM 730 N GLN A 51 9.522 0.189 8.710 1.00 0.00 N ATOM 731 CA GLN A 51 8.737 0.824 9.805 1.00 0.00 C ATOM 732 C GLN A 51 7.243 0.610 9.556 1.00 0.00 C ATOM 733 O GLN A 51 6.416 1.345 10.058 1.00 0.00 O ATOM 734 CB GLN A 51 9.041 2.320 9.840 1.00 0.00 C ATOM 735 CG GLN A 51 10.323 2.555 10.642 1.00 0.00 C ATOM 736 CD GLN A 51 11.344 1.470 10.292 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.089 1.587 9.340 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.411 0.400 11.036 1.00 0.00 N ATOM 0 H GLN A 51 9.859 0.824 7.987 1.00 0.00 H new ATOM 0 HA GLN A 51 9.010 0.373 10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.157 2.703 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.210 2.861 10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.731 3.541 10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.106 2.536 11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.788 0.296 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.086 -0.332 10.817 1.00 0.00 H new ATOM 747 N GLY A 52 6.931 -0.396 8.786 1.00 0.00 N ATOM 748 CA GLY A 52 5.501 -0.669 8.487 1.00 0.00 C ATOM 749 C GLY A 52 4.845 0.587 7.918 1.00 0.00 C ATOM 750 O GLY A 52 3.695 0.867 8.194 1.00 0.00 O ATOM 0 H GLY A 52 7.599 -1.035 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.419 -1.489 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.983 -0.982 9.394 1.00 0.00 H new ATOM 754 N ASN A 53 5.600 1.316 7.130 1.00 0.00 N ATOM 755 CA ASN A 53 5.051 2.576 6.526 1.00 0.00 C ATOM 756 C ASN A 53 5.021 2.472 4.999 1.00 0.00 C ATOM 757 O ASN A 53 6.038 2.267 4.369 1.00 0.00 O ATOM 758 CB ASN A 53 5.940 3.749 6.935 1.00 0.00 C ATOM 759 CG ASN A 53 5.548 4.218 8.335 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.102 3.651 9.370 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 4.734 5.105 8.500 1.00 0.00 N flip ATOM 0 H ASN A 53 6.564 1.097 6.880 1.00 0.00 H new ATOM 0 HA ASN A 53 4.033 2.729 6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.988 3.448 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.833 4.567 6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.297 5.553 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.488 5.402 9.444 1.00 0.00 H new ATOM 768 N CYS A 54 3.853 2.624 4.435 1.00 0.00 N ATOM 769 CA CYS A 54 3.743 2.538 2.950 1.00 0.00 C ATOM 770 C CYS A 54 4.430 3.736 2.295 1.00 0.00 C ATOM 771 O CYS A 54 4.243 4.863 2.707 1.00 0.00 O ATOM 772 CB CYS A 54 2.272 2.525 2.554 1.00 0.00 C ATOM 773 SG CYS A 54 1.902 2.544 0.785 1.00 0.00 S ATOM 0 H CYS A 54 2.980 2.802 4.931 1.00 0.00 H new ATOM 0 HA CYS A 54 4.229 1.623 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.812 1.637 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.790 3.389 3.011 1.00 0.00 H new ATOM 778 N ILE A 55 5.211 3.467 1.286 1.00 0.00 N ATOM 779 CA ILE A 55 5.917 4.582 0.592 1.00 0.00 C ATOM 780 C ILE A 55 6.201 4.203 -0.867 1.00 0.00 C ATOM 781 O ILE A 55 6.301 3.041 -1.199 1.00 0.00 O ATOM 782 CB ILE A 55 7.238 4.873 1.318 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.040 3.559 1.464 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.936 5.461 2.712 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.516 3.882 1.725 1.00 0.00 C ATOM 0 H ILE A 55 5.390 2.534 0.914 1.00 0.00 H new ATOM 0 HA ILE A 55 5.286 5.470 0.606 1.00 0.00 H new ATOM 0 HB ILE A 55 7.825 5.591 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.637 2.965 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.943 2.960 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.872 5.669 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.369 6.386 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.353 4.745 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.079 2.954 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.915 4.458 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.604 4.463 2.643 1.00 0.00 H new ATOM 797 N LYS A 56 6.319 5.194 -1.705 1.00 0.00 N ATOM 798 CA LYS A 56 6.605 4.907 -3.145 1.00 0.00 C ATOM 799 C LYS A 56 7.860 4.030 -3.281 1.00 0.00 C ATOM 800 O LYS A 56 8.762 4.101 -2.470 1.00 0.00 O ATOM 801 CB LYS A 56 6.830 6.226 -3.883 1.00 0.00 C ATOM 802 CG LYS A 56 5.575 7.090 -3.757 1.00 0.00 C ATOM 803 CD LYS A 56 5.898 8.521 -4.186 1.00 0.00 C ATOM 804 CE LYS A 56 4.679 9.409 -3.932 1.00 0.00 C ATOM 805 NZ LYS A 56 4.346 10.201 -5.149 1.00 0.00 N ATOM 0 H LYS A 56 6.232 6.181 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 56 5.756 4.375 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.690 6.749 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.052 6.036 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.777 6.684 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.215 7.080 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.758 8.895 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.167 8.545 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.826 8.793 -3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.879 10.081 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.516 10.798 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.155 10.803 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.134 9.555 -5.936 1.00 0.00 H new ATOM 819 N PHE A 57 7.884 3.222 -4.308 1.00 0.00 N ATOM 820 CA PHE A 57 9.068 2.334 -4.523 1.00 0.00 C ATOM 821 C PHE A 57 10.360 3.162 -4.555 1.00 0.00 C ATOM 822 O PHE A 57 11.373 2.754 -4.022 1.00 0.00 O ATOM 823 CB PHE A 57 8.906 1.615 -5.861 1.00 0.00 C ATOM 824 CG PHE A 57 9.176 0.118 -5.685 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.425 -0.329 -5.290 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.174 -0.809 -5.922 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.667 -1.678 -5.134 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.420 -2.159 -5.766 1.00 0.00 C ATOM 829 CZ PHE A 57 9.665 -2.591 -5.373 1.00 0.00 C ATOM 0 H PHE A 57 7.142 3.137 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 57 9.129 1.615 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.898 1.769 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.595 2.034 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.215 0.383 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.195 -0.474 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.644 -2.018 -4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.634 -2.876 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.857 -3.647 -5.252 1.00 0.00 H new ATOM 839 N GLU A 58 10.293 4.308 -5.179 1.00 0.00 N ATOM 840 CA GLU A 58 11.513 5.170 -5.264 1.00 0.00 C ATOM 841 C GLU A 58 11.806 5.825 -3.910 1.00 0.00 C ATOM 842 O GLU A 58 12.893 6.316 -3.679 1.00 0.00 O ATOM 843 CB GLU A 58 11.282 6.257 -6.315 1.00 0.00 C ATOM 844 CG GLU A 58 12.248 6.042 -7.483 1.00 0.00 C ATOM 845 CD GLU A 58 11.962 4.688 -8.135 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.827 4.515 -8.547 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.895 3.903 -8.184 1.00 0.00 O ATOM 0 H GLU A 58 9.458 4.683 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 58 12.366 4.552 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.252 6.224 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.437 7.243 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.135 6.842 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.278 6.077 -7.129 1.00 0.00 H new ATOM 854 N ASP A 59 10.832 5.818 -3.042 1.00 0.00 N ATOM 855 CA ASP A 59 11.045 6.436 -1.700 1.00 0.00 C ATOM 856 C ASP A 59 11.685 5.419 -0.751 1.00 0.00 C ATOM 857 O ASP A 59 11.638 5.571 0.453 1.00 0.00 O ATOM 858 CB ASP A 59 9.699 6.890 -1.137 1.00 0.00 C ATOM 859 CG ASP A 59 9.414 8.322 -1.599 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.358 8.500 -2.805 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.268 9.154 -0.719 1.00 0.00 O ATOM 0 H ASP A 59 9.908 5.416 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 59 11.710 7.294 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.907 6.222 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.713 6.843 -0.048 1.00 0.00 H new ATOM 866 N CYS A 60 12.273 4.402 -1.320 1.00 0.00 N ATOM 867 CA CYS A 60 12.922 3.360 -0.475 1.00 0.00 C ATOM 868 C CYS A 60 14.304 3.856 0.005 1.00 0.00 C ATOM 869 O CYS A 60 14.876 4.752 -0.583 1.00 0.00 O ATOM 870 CB CYS A 60 13.092 2.095 -1.311 1.00 0.00 C ATOM 871 SG CYS A 60 11.906 0.765 -1.026 1.00 0.00 S ATOM 0 H CYS A 60 12.332 4.248 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 60 12.303 3.153 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.043 2.374 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.093 1.702 -1.132 1.00 0.00 H new ATOM 876 N PRO A 61 14.817 3.260 1.074 1.00 0.00 N ATOM 877 CA PRO A 61 16.129 3.649 1.611 1.00 0.00 C ATOM 878 C PRO A 61 17.206 3.568 0.521 1.00 0.00 C ATOM 879 O PRO A 61 17.121 2.758 -0.381 1.00 0.00 O ATOM 880 CB PRO A 61 16.423 2.646 2.731 1.00 0.00 C ATOM 881 CG PRO A 61 15.196 1.687 2.832 1.00 0.00 C ATOM 882 CD PRO A 61 14.151 2.170 1.812 1.00 0.00 C ATOM 0 HA PRO A 61 16.128 4.676 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.332 2.085 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.585 3.163 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.493 0.660 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.782 1.698 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.851 1.364 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.248 2.524 2.309 1.00 0.00 H new ATOM 890 N LYS A 62 18.197 4.411 0.632 1.00 0.00 N ATOM 891 CA LYS A 62 19.288 4.398 -0.387 1.00 0.00 C ATOM 892 C LYS A 62 20.059 3.076 -0.318 1.00 0.00 C ATOM 893 O LYS A 62 19.666 2.182 -1.050 1.00 0.00 O ATOM 894 CB LYS A 62 20.240 5.559 -0.112 1.00 0.00 C ATOM 895 CG LYS A 62 19.580 6.867 -0.553 1.00 0.00 C ATOM 896 CD LYS A 62 20.373 8.046 0.015 1.00 0.00 C ATOM 897 CE LYS A 62 19.744 8.484 1.339 1.00 0.00 C ATOM 898 NZ LYS A 62 18.570 9.368 1.093 1.00 0.00 N ATOM 899 OXT LYS A 62 20.997 3.037 0.462 1.00 0.00 O ATOM 0 H LYS A 62 18.299 5.102 1.376 1.00 0.00 H new ATOM 0 HA LYS A 62 18.854 4.501 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.484 5.601 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.177 5.412 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.549 6.924 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.549 6.904 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.413 7.759 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.373 8.875 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.434 7.608 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.483 9.011 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.155 9.656 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.875 10.213 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.859 8.853 0.536 1.00 0.00 H new TER 913 LYS A 62