USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=10 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+ -179:sc= -0.431! (180deg=-0.605!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 9 ASN : amide:sc= -1.97 X(o=-2,f=-2.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.0148 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.875 USER MOD Single : A 24 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.021) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0148) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 31:sc= 0.645! USER MOD Single : A 51 GLN : amide:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 53 ASN : amide:sc= -6.39! K(o=-6.4!,f=-1.8) USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= -0.179 (180deg=-1.05) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.512 (180deg=-1.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.443 6.166 -9.490 1.00 0.00 N ATOM 2 CA GLU A 1 -8.421 5.042 -9.576 1.00 0.00 C ATOM 3 C GLU A 1 -9.710 5.431 -8.846 1.00 0.00 C ATOM 4 O GLU A 1 -10.792 5.052 -9.248 1.00 0.00 O ATOM 5 CB GLU A 1 -7.845 3.777 -8.940 1.00 0.00 C ATOM 6 CG GLU A 1 -7.126 2.959 -10.014 1.00 0.00 C ATOM 7 CD GLU A 1 -6.048 3.825 -10.672 1.00 0.00 C ATOM 8 OE1 GLU A 1 -5.414 4.556 -9.928 1.00 0.00 O ATOM 9 OE2 GLU A 1 -5.922 3.708 -11.879 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.574 5.910 -10.000 1.00 0.00 H new ATOM 0 H2 GLU A 1 -7.856 7.019 -9.918 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.217 6.354 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.632 4.843 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -7.152 4.040 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.642 3.187 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.675 2.071 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.839 2.614 -10.763 1.00 0.00 H new ATOM 18 N ALA A 2 -9.567 6.182 -7.787 1.00 0.00 N ATOM 19 CA ALA A 2 -10.777 6.602 -7.020 1.00 0.00 C ATOM 20 C ALA A 2 -10.467 7.842 -6.178 1.00 0.00 C ATOM 21 O ALA A 2 -9.340 8.296 -6.123 1.00 0.00 O ATOM 22 CB ALA A 2 -11.207 5.457 -6.104 1.00 0.00 C ATOM 0 H ALA A 2 -8.676 6.520 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.579 6.844 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.091 5.755 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.440 4.578 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.398 5.220 -5.413 1.00 0.00 H new ATOM 28 N GLU A 3 -11.479 8.367 -5.536 1.00 0.00 N ATOM 29 CA GLU A 3 -11.265 9.579 -4.691 1.00 0.00 C ATOM 30 C GLU A 3 -9.996 9.416 -3.846 1.00 0.00 C ATOM 31 O GLU A 3 -9.984 8.693 -2.871 1.00 0.00 O ATOM 32 CB GLU A 3 -12.470 9.762 -3.769 1.00 0.00 C ATOM 33 CG GLU A 3 -13.696 10.119 -4.612 1.00 0.00 C ATOM 34 CD GLU A 3 -13.705 11.626 -4.879 1.00 0.00 C ATOM 35 OE1 GLU A 3 -14.153 12.330 -3.989 1.00 0.00 O ATOM 36 OE2 GLU A 3 -13.266 11.986 -5.959 1.00 0.00 O ATOM 0 H GLU A 3 -12.435 8.013 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.151 10.452 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.655 8.847 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.271 10.550 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.676 9.571 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.608 9.825 -4.092 1.00 0.00 H new ATOM 43 N LYS A 4 -8.954 10.095 -4.241 1.00 0.00 N ATOM 44 CA LYS A 4 -7.677 9.991 -3.477 1.00 0.00 C ATOM 45 C LYS A 4 -7.910 10.322 -1.998 1.00 0.00 C ATOM 46 O LYS A 4 -8.869 10.983 -1.650 1.00 0.00 O ATOM 47 CB LYS A 4 -6.659 10.969 -4.067 1.00 0.00 C ATOM 48 CG LYS A 4 -7.264 12.375 -4.094 1.00 0.00 C ATOM 49 CD LYS A 4 -6.301 13.322 -4.817 1.00 0.00 C ATOM 50 CE LYS A 4 -5.938 14.480 -3.885 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.930 15.371 -4.527 1.00 0.00 N ATOM 0 H LYS A 4 -8.930 10.712 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.299 8.971 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.746 10.965 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.383 10.660 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.228 12.360 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.445 12.726 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.401 12.785 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.763 13.704 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.833 15.051 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.542 14.090 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.695 16.151 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.070 14.826 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.321 15.758 -5.410 1.00 0.00 H new ATOM 65 N CYS A 5 -7.023 9.855 -1.158 1.00 0.00 N ATOM 66 CA CYS A 5 -7.178 10.133 0.301 1.00 0.00 C ATOM 67 C CYS A 5 -6.461 11.439 0.664 1.00 0.00 C ATOM 68 O CYS A 5 -6.149 12.240 -0.194 1.00 0.00 O ATOM 69 CB CYS A 5 -6.575 8.978 1.101 1.00 0.00 C ATOM 70 SG CYS A 5 -7.284 7.327 0.854 1.00 0.00 S ATOM 0 H CYS A 5 -6.207 9.299 -1.415 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.237 10.232 0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.512 8.926 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.656 9.224 2.160 1.00 0.00 H new ATOM 75 N THR A 6 -6.217 11.622 1.930 1.00 0.00 N ATOM 76 CA THR A 6 -5.532 12.871 2.375 1.00 0.00 C ATOM 77 C THR A 6 -4.043 12.856 1.998 1.00 0.00 C ATOM 78 O THR A 6 -3.647 13.438 1.009 1.00 0.00 O ATOM 79 CB THR A 6 -5.671 12.998 3.894 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.738 11.655 4.365 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.002 13.632 4.286 1.00 0.00 C ATOM 0 H THR A 6 -6.459 10.967 2.674 1.00 0.00 H new ATOM 0 HA THR A 6 -5.999 13.720 1.876 1.00 0.00 H new ATOM 0 HB THR A 6 -4.854 13.599 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.827 11.655 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.064 13.706 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.073 14.629 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.821 13.016 3.917 1.00 0.00 H new ATOM 89 N LYS A 7 -3.252 12.192 2.797 1.00 0.00 N ATOM 90 CA LYS A 7 -1.783 12.152 2.511 1.00 0.00 C ATOM 91 C LYS A 7 -1.478 11.228 1.304 1.00 0.00 C ATOM 92 O LYS A 7 -2.283 10.391 0.948 1.00 0.00 O ATOM 93 CB LYS A 7 -1.048 11.625 3.748 1.00 0.00 C ATOM 94 CG LYS A 7 -2.057 10.976 4.699 1.00 0.00 C ATOM 95 CD LYS A 7 -1.300 10.230 5.800 1.00 0.00 C ATOM 96 CE LYS A 7 -2.295 9.435 6.649 1.00 0.00 C ATOM 97 NZ LYS A 7 -3.091 10.351 7.513 1.00 0.00 N ATOM 0 H LYS A 7 -3.552 11.680 3.627 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.447 13.160 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.290 10.899 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.529 12.441 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.704 11.736 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.700 10.287 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.563 9.559 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.754 10.937 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.962 8.866 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.760 8.715 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.701 9.792 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.448 10.936 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.681 10.966 6.916 1.00 0.00 H new ATOM 111 N PRO A 8 -0.304 11.407 0.695 1.00 0.00 N ATOM 112 CA PRO A 8 0.111 10.579 -0.452 1.00 0.00 C ATOM 113 C PRO A 8 0.193 9.097 -0.057 1.00 0.00 C ATOM 114 O PRO A 8 -0.162 8.724 1.043 1.00 0.00 O ATOM 115 CB PRO A 8 1.502 11.092 -0.843 1.00 0.00 C ATOM 116 CG PRO A 8 1.900 12.191 0.188 1.00 0.00 C ATOM 117 CD PRO A 8 0.677 12.440 1.089 1.00 0.00 C ATOM 0 HA PRO A 8 -0.603 10.651 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.227 10.278 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.491 11.500 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.755 11.869 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.194 13.108 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.939 12.354 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.275 13.443 0.941 1.00 0.00 H new ATOM 125 N ASN A 9 0.663 8.285 -0.970 1.00 0.00 N ATOM 126 CA ASN A 9 0.782 6.828 -0.668 1.00 0.00 C ATOM 127 C ASN A 9 -0.557 6.286 -0.159 1.00 0.00 C ATOM 128 O ASN A 9 -1.359 5.799 -0.929 1.00 0.00 O ATOM 129 CB ASN A 9 1.866 6.622 0.393 1.00 0.00 C ATOM 130 CG ASN A 9 3.201 7.161 -0.131 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.722 6.704 -1.130 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.787 8.132 0.515 1.00 0.00 N ATOM 0 H ASN A 9 0.967 8.565 -1.903 1.00 0.00 H new ATOM 0 HA ASN A 9 1.053 6.290 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.591 7.135 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.958 5.563 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.677 8.503 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.355 8.520 1.354 1.00 0.00 H new ATOM 139 N GLU A 10 -0.772 6.378 1.127 1.00 0.00 N ATOM 140 CA GLU A 10 -2.061 5.880 1.682 1.00 0.00 C ATOM 141 C GLU A 10 -3.213 6.386 0.815 1.00 0.00 C ATOM 142 O GLU A 10 -3.667 7.501 0.980 1.00 0.00 O ATOM 143 CB GLU A 10 -2.227 6.397 3.110 1.00 0.00 C ATOM 144 CG GLU A 10 -1.087 5.858 3.978 1.00 0.00 C ATOM 145 CD GLU A 10 -1.673 5.199 5.229 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.888 5.935 6.178 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.872 3.997 5.165 1.00 0.00 O ATOM 0 H GLU A 10 -0.121 6.770 1.807 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.064 4.790 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.221 7.487 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.188 6.080 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.496 5.135 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.415 6.668 4.261 1.00 0.00 H new ATOM 154 N GLN A 11 -3.656 5.552 -0.093 1.00 0.00 N ATOM 155 CA GLN A 11 -4.774 5.963 -0.999 1.00 0.00 C ATOM 156 C GLN A 11 -5.913 4.955 -0.908 1.00 0.00 C ATOM 157 O GLN A 11 -5.740 3.857 -0.423 1.00 0.00 O ATOM 158 CB GLN A 11 -4.261 6.023 -2.436 1.00 0.00 C ATOM 159 CG GLN A 11 -4.948 7.181 -3.162 1.00 0.00 C ATOM 160 CD GLN A 11 -4.575 7.141 -4.644 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.490 7.525 -5.033 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.445 6.684 -5.503 1.00 0.00 N ATOM 0 H GLN A 11 -3.295 4.610 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.141 6.944 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.180 6.162 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.466 5.083 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.029 7.108 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.644 8.132 -2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.357 6.360 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.212 6.650 -6.496 1.00 0.00 H new ATOM 171 N TRP A 12 -7.052 5.344 -1.390 1.00 0.00 N ATOM 172 CA TRP A 12 -8.218 4.426 -1.329 1.00 0.00 C ATOM 173 C TRP A 12 -7.917 3.104 -2.018 1.00 0.00 C ATOM 174 O TRP A 12 -7.292 3.068 -3.059 1.00 0.00 O ATOM 175 CB TRP A 12 -9.399 5.065 -2.031 1.00 0.00 C ATOM 176 CG TRP A 12 -10.556 4.066 -2.037 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.909 3.319 -3.081 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.352 3.854 -1.021 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.981 2.643 -2.633 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.328 2.928 -1.333 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.300 4.404 0.241 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.258 2.563 -0.386 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.226 4.037 1.193 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.208 3.117 0.879 1.00 0.00 C ATOM 0 H TRP A 12 -7.229 6.251 -1.821 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.441 4.239 -0.279 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.693 5.982 -1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.130 5.340 -3.051 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.445 3.268 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.494 1.975 -3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.532 5.124 0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.026 1.844 -0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.184 4.468 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.937 2.831 1.623 1.00 0.00 H new ATOM 195 N THR A 13 -8.370 2.041 -1.420 1.00 0.00 N ATOM 196 CA THR A 13 -8.156 0.714 -2.046 1.00 0.00 C ATOM 197 C THR A 13 -9.347 -0.198 -1.741 1.00 0.00 C ATOM 198 O THR A 13 -9.649 -0.471 -0.597 1.00 0.00 O ATOM 199 CB THR A 13 -6.868 0.086 -1.504 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.039 -1.315 -1.698 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.740 0.270 0.007 1.00 0.00 C ATOM 0 H THR A 13 -8.874 2.034 -0.533 1.00 0.00 H new ATOM 0 HA THR A 13 -8.066 0.837 -3.125 1.00 0.00 H new ATOM 0 HB THR A 13 -6.004 0.532 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.164 -1.757 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.814 -0.189 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.728 1.334 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.587 -0.203 0.504 1.00 0.00 H new ATOM 209 N LYS A 14 -10.009 -0.639 -2.770 1.00 0.00 N ATOM 210 CA LYS A 14 -11.176 -1.528 -2.545 1.00 0.00 C ATOM 211 C LYS A 14 -10.705 -2.869 -1.974 1.00 0.00 C ATOM 212 O LYS A 14 -11.495 -3.654 -1.488 1.00 0.00 O ATOM 213 CB LYS A 14 -11.898 -1.747 -3.869 1.00 0.00 C ATOM 214 CG LYS A 14 -13.217 -0.962 -3.844 1.00 0.00 C ATOM 215 CD LYS A 14 -13.861 -0.975 -5.238 1.00 0.00 C ATOM 216 CE LYS A 14 -14.651 -2.274 -5.422 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.329 -2.287 -6.751 1.00 0.00 N ATOM 0 H LYS A 14 -9.796 -0.426 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.859 -1.065 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.275 -1.414 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.092 -2.808 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.898 -1.402 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.033 0.065 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.521 -0.116 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.092 -0.892 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.980 -3.129 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.391 -2.372 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.861 -3.174 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.983 -1.481 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.616 -2.215 -7.505 1.00 0.00 H new ATOM 231 N CYS A 15 -9.419 -3.101 -2.046 1.00 0.00 N ATOM 232 CA CYS A 15 -8.869 -4.377 -1.509 1.00 0.00 C ATOM 233 C CYS A 15 -7.478 -4.146 -0.902 1.00 0.00 C ATOM 234 O CYS A 15 -6.492 -4.088 -1.610 1.00 0.00 O ATOM 235 CB CYS A 15 -8.759 -5.390 -2.644 1.00 0.00 C ATOM 236 SG CYS A 15 -7.486 -6.666 -2.493 1.00 0.00 S ATOM 0 H CYS A 15 -8.732 -2.465 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.536 -4.752 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.724 -5.886 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.580 -4.842 -3.569 1.00 0.00 H new ATOM 241 N GLY A 16 -7.429 -4.018 0.395 1.00 0.00 N ATOM 242 CA GLY A 16 -6.113 -3.796 1.063 1.00 0.00 C ATOM 243 C GLY A 16 -5.533 -5.125 1.549 1.00 0.00 C ATOM 244 O GLY A 16 -5.659 -6.140 0.891 1.00 0.00 O ATOM 0 H GLY A 16 -8.235 -4.057 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.420 -3.322 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.235 -3.115 1.905 1.00 0.00 H new ATOM 248 N GLY A 17 -4.915 -5.092 2.700 1.00 0.00 N ATOM 249 CA GLY A 17 -4.333 -6.347 3.257 1.00 0.00 C ATOM 250 C GLY A 17 -2.889 -6.537 2.788 1.00 0.00 C ATOM 251 O GLY A 17 -1.988 -5.867 3.250 1.00 0.00 O ATOM 0 H GLY A 17 -4.789 -4.258 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.364 -6.314 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.935 -7.201 2.946 1.00 0.00 H new ATOM 255 N CYS A 18 -2.705 -7.453 1.877 1.00 0.00 N ATOM 256 CA CYS A 18 -1.326 -7.721 1.369 1.00 0.00 C ATOM 257 C CYS A 18 -0.968 -6.745 0.242 1.00 0.00 C ATOM 258 O CYS A 18 -1.835 -6.223 -0.429 1.00 0.00 O ATOM 259 CB CYS A 18 -1.271 -9.149 0.839 1.00 0.00 C ATOM 260 SG CYS A 18 -1.485 -10.487 2.041 1.00 0.00 S ATOM 0 H CYS A 18 -3.442 -8.024 1.464 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.611 -7.589 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.041 -9.255 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.310 -9.289 0.345 1.00 0.00 H new ATOM 265 N GLU A 19 0.310 -6.523 0.055 1.00 0.00 N ATOM 266 CA GLU A 19 0.737 -5.590 -1.028 1.00 0.00 C ATOM 267 C GLU A 19 2.208 -5.833 -1.404 1.00 0.00 C ATOM 268 O GLU A 19 2.752 -6.885 -1.134 1.00 0.00 O ATOM 269 CB GLU A 19 0.546 -4.146 -0.553 1.00 0.00 C ATOM 270 CG GLU A 19 1.257 -3.948 0.789 1.00 0.00 C ATOM 271 CD GLU A 19 0.335 -4.400 1.922 1.00 0.00 C ATOM 272 OE1 GLU A 19 -0.474 -3.578 2.322 1.00 0.00 O ATOM 273 OE2 GLU A 19 0.492 -5.540 2.324 1.00 0.00 O ATOM 0 H GLU A 19 1.065 -6.942 0.598 1.00 0.00 H new ATOM 0 HA GLU A 19 0.126 -5.768 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.946 -3.453 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.516 -3.924 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.185 -4.520 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.526 -2.900 0.920 1.00 0.00 H new ATOM 280 N GLY A 20 2.819 -4.852 -2.020 1.00 0.00 N ATOM 281 CA GLY A 20 4.239 -5.019 -2.430 1.00 0.00 C ATOM 282 C GLY A 20 5.203 -4.468 -1.380 1.00 0.00 C ATOM 283 O GLY A 20 4.817 -3.731 -0.494 1.00 0.00 O ATOM 0 H GLY A 20 2.398 -3.953 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.447 -6.076 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.405 -4.509 -3.379 1.00 0.00 H new ATOM 287 N THR A 21 6.445 -4.849 -1.514 1.00 0.00 N ATOM 288 CA THR A 21 7.486 -4.360 -0.570 1.00 0.00 C ATOM 289 C THR A 21 8.727 -3.971 -1.376 1.00 0.00 C ATOM 290 O THR A 21 8.793 -4.226 -2.562 1.00 0.00 O ATOM 291 CB THR A 21 7.840 -5.475 0.419 1.00 0.00 C ATOM 292 OG1 THR A 21 8.382 -6.517 -0.386 1.00 0.00 O ATOM 293 CG2 THR A 21 6.591 -6.070 1.063 1.00 0.00 C ATOM 0 H THR A 21 6.783 -5.481 -2.240 1.00 0.00 H new ATOM 0 HA THR A 21 7.118 -3.497 -0.015 1.00 0.00 H new ATOM 0 HB THR A 21 8.499 -5.087 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.780 -7.202 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.880 -6.858 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.053 -5.290 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.947 -6.488 0.289 1.00 0.00 H new ATOM 301 N CYS A 22 9.684 -3.364 -0.736 1.00 0.00 N ATOM 302 CA CYS A 22 10.907 -2.975 -1.493 1.00 0.00 C ATOM 303 C CYS A 22 11.724 -4.226 -1.813 1.00 0.00 C ATOM 304 O CYS A 22 12.847 -4.145 -2.267 1.00 0.00 O ATOM 305 CB CYS A 22 11.740 -2.004 -0.661 1.00 0.00 C ATOM 306 SG CYS A 22 13.098 -1.159 -1.495 1.00 0.00 S ATOM 0 H CYS A 22 9.677 -3.124 0.255 1.00 0.00 H new ATOM 0 HA CYS A 22 10.620 -2.486 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.070 -1.247 -0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.153 -2.553 0.186 1.00 0.00 H new ATOM 311 N ALA A 23 11.127 -5.361 -1.560 1.00 0.00 N ATOM 312 CA ALA A 23 11.828 -6.646 -1.838 1.00 0.00 C ATOM 313 C ALA A 23 10.858 -7.659 -2.473 1.00 0.00 C ATOM 314 O ALA A 23 11.265 -8.717 -2.911 1.00 0.00 O ATOM 315 CB ALA A 23 12.358 -7.207 -0.521 1.00 0.00 C ATOM 0 H ALA A 23 10.187 -5.452 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 23 12.649 -6.468 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.874 -8.149 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.052 -6.495 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.526 -7.379 0.162 1.00 0.00 H new ATOM 321 N GLN A 24 9.594 -7.312 -2.510 1.00 0.00 N ATOM 322 CA GLN A 24 8.591 -8.243 -3.105 1.00 0.00 C ATOM 323 C GLN A 24 7.406 -7.444 -3.652 1.00 0.00 C ATOM 324 O GLN A 24 6.455 -7.189 -2.945 1.00 0.00 O ATOM 325 CB GLN A 24 8.094 -9.206 -2.025 1.00 0.00 C ATOM 326 CG GLN A 24 9.245 -10.112 -1.579 1.00 0.00 C ATOM 327 CD GLN A 24 8.680 -11.294 -0.791 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.388 -12.214 -0.434 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.409 -11.307 -0.496 1.00 0.00 N ATOM 0 H GLN A 24 9.218 -6.432 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 24 9.055 -8.804 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.707 -8.646 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.271 -9.808 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.799 -10.470 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.947 -9.551 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.809 -10.538 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.016 -12.087 0.031 1.00 0.00 H new ATOM 338 N LYS A 25 7.495 -7.063 -4.900 1.00 0.00 N ATOM 339 CA LYS A 25 6.383 -6.273 -5.516 1.00 0.00 C ATOM 340 C LYS A 25 5.022 -6.856 -5.087 1.00 0.00 C ATOM 341 O LYS A 25 4.066 -6.138 -4.907 1.00 0.00 O ATOM 342 CB LYS A 25 6.525 -6.331 -7.042 1.00 0.00 C ATOM 343 CG LYS A 25 6.009 -5.023 -7.666 1.00 0.00 C ATOM 344 CD LYS A 25 4.571 -4.762 -7.226 1.00 0.00 C ATOM 345 CE LYS A 25 3.908 -3.824 -8.235 1.00 0.00 C ATOM 346 NZ LYS A 25 3.448 -4.585 -9.431 1.00 0.00 N ATOM 0 H LYS A 25 8.283 -7.262 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 25 6.435 -5.237 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.569 -6.486 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.964 -7.178 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.646 -4.191 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.059 -5.085 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.019 -5.700 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.556 -4.317 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.061 -3.320 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.613 -3.050 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.399 -3.947 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.118 -5.355 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.506 -4.985 -9.247 1.00 0.00 H new ATOM 360 N ILE A 26 4.965 -8.155 -4.942 1.00 0.00 N ATOM 361 CA ILE A 26 3.686 -8.783 -4.500 1.00 0.00 C ATOM 362 C ILE A 26 3.971 -9.913 -3.507 1.00 0.00 C ATOM 363 O ILE A 26 4.431 -10.974 -3.877 1.00 0.00 O ATOM 364 CB ILE A 26 2.954 -9.331 -5.723 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.849 -8.208 -6.763 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.544 -9.794 -5.317 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.892 -8.619 -7.880 1.00 0.00 C ATOM 0 H ILE A 26 5.738 -8.800 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 26 3.064 -8.037 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 26 3.497 -10.180 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.495 -7.293 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.834 -7.992 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.023 -10.185 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.621 -10.576 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.987 -8.950 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.823 -7.816 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.264 -9.522 -8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.905 -8.813 -7.460 1.00 0.00 H new ATOM 379 N VAL A 27 3.687 -9.650 -2.262 1.00 0.00 N ATOM 380 CA VAL A 27 3.925 -10.682 -1.215 1.00 0.00 C ATOM 381 C VAL A 27 2.895 -11.844 -1.391 1.00 0.00 C ATOM 382 O VAL A 27 1.725 -11.589 -1.595 1.00 0.00 O ATOM 383 CB VAL A 27 3.730 -10.012 0.152 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.276 -9.570 0.294 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.061 -10.997 1.272 1.00 0.00 C ATOM 0 H VAL A 27 3.302 -8.768 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 27 4.932 -11.093 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 27 4.393 -9.150 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.134 -9.094 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.032 -8.861 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.622 -10.439 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.919 -10.511 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.403 -11.863 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.098 -11.321 1.177 1.00 0.00 H new ATOM 395 N PRO A 28 3.342 -13.106 -1.314 1.00 0.00 N ATOM 396 CA PRO A 28 2.419 -14.244 -1.471 1.00 0.00 C ATOM 397 C PRO A 28 1.280 -14.174 -0.443 1.00 0.00 C ATOM 398 O PRO A 28 1.500 -13.872 0.713 1.00 0.00 O ATOM 399 CB PRO A 28 3.271 -15.497 -1.237 1.00 0.00 C ATOM 400 CG PRO A 28 4.728 -15.025 -0.956 1.00 0.00 C ATOM 401 CD PRO A 28 4.748 -13.490 -1.069 1.00 0.00 C ATOM 0 HA PRO A 28 1.952 -14.245 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.885 -16.072 -0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.241 -16.150 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.048 -15.340 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.420 -15.471 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.129 -13.032 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.394 -13.163 -1.883 1.00 0.00 H new ATOM 409 N CYS A 29 0.087 -14.461 -0.892 1.00 0.00 N ATOM 410 CA CYS A 29 -1.077 -14.420 0.042 1.00 0.00 C ATOM 411 C CYS A 29 -2.271 -15.163 -0.570 1.00 0.00 C ATOM 412 O CYS A 29 -2.679 -14.877 -1.677 1.00 0.00 O ATOM 413 CB CYS A 29 -1.460 -12.965 0.303 1.00 0.00 C ATOM 414 SG CYS A 29 -0.334 -11.984 1.328 1.00 0.00 S ATOM 0 H CYS A 29 -0.131 -14.719 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.803 -14.904 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.563 -12.465 -0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.443 -12.954 0.775 1.00 0.00 H new ATOM 419 N THR A 30 -2.802 -16.101 0.167 1.00 0.00 N ATOM 420 CA THR A 30 -3.968 -16.877 -0.357 1.00 0.00 C ATOM 421 C THR A 30 -5.280 -16.318 0.206 1.00 0.00 C ATOM 422 O THR A 30 -6.350 -16.775 -0.141 1.00 0.00 O ATOM 423 CB THR A 30 -3.819 -18.343 0.061 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.479 -18.295 1.443 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.626 -19.004 -0.626 1.00 0.00 C ATOM 0 H THR A 30 -2.485 -16.363 1.100 1.00 0.00 H new ATOM 0 HA THR A 30 -3.991 -16.796 -1.444 1.00 0.00 H new ATOM 0 HB THR A 30 -4.728 -18.893 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.368 -19.207 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.551 -20.043 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.762 -18.966 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.712 -18.475 -0.357 1.00 0.00 H new ATOM 433 N ARG A 31 -5.170 -15.341 1.065 1.00 0.00 N ATOM 434 CA ARG A 31 -6.406 -14.746 1.657 1.00 0.00 C ATOM 435 C ARG A 31 -7.294 -14.171 0.548 1.00 0.00 C ATOM 436 O ARG A 31 -7.246 -14.626 -0.579 1.00 0.00 O ATOM 437 CB ARG A 31 -6.015 -13.631 2.627 1.00 0.00 C ATOM 438 CG ARG A 31 -4.894 -14.132 3.543 1.00 0.00 C ATOM 439 CD ARG A 31 -5.240 -13.792 4.994 1.00 0.00 C ATOM 440 NE ARG A 31 -5.575 -12.342 5.088 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.647 -11.454 4.865 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.573 -11.464 5.609 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.821 -10.583 3.909 1.00 0.00 N ATOM 0 H ARG A 31 -4.290 -14.932 1.380 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.958 -15.520 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.684 -12.751 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.878 -13.329 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.769 -15.209 3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.947 -13.670 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.083 -14.395 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.399 -14.027 5.646 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.522 -12.047 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.472 -12.159 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.836 -10.777 5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.673 -10.604 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.105 -9.882 3.722 1.00 0.00 H new ATOM 457 N GLU A 32 -8.082 -13.182 0.894 1.00 0.00 N ATOM 458 CA GLU A 32 -8.983 -12.559 -0.122 1.00 0.00 C ATOM 459 C GLU A 32 -8.620 -11.086 -0.309 1.00 0.00 C ATOM 460 O GLU A 32 -7.897 -10.735 -1.217 1.00 0.00 O ATOM 461 CB GLU A 32 -10.429 -12.669 0.361 1.00 0.00 C ATOM 462 CG GLU A 32 -10.998 -14.026 -0.057 1.00 0.00 C ATOM 463 CD GLU A 32 -11.590 -13.914 -1.464 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.170 -13.003 -2.157 1.00 0.00 O ATOM 465 OE2 GLU A 32 -12.430 -14.747 -1.765 1.00 0.00 O ATOM 0 H GLU A 32 -8.139 -12.782 1.831 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.868 -13.076 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.472 -12.562 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.029 -11.864 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.214 -14.783 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.765 -14.345 0.649 1.00 0.00 H new ATOM 472 N CYS A 33 -9.125 -10.261 0.567 1.00 0.00 N ATOM 473 CA CYS A 33 -8.836 -8.794 0.462 1.00 0.00 C ATOM 474 C CYS A 33 -9.437 -8.055 1.665 1.00 0.00 C ATOM 475 O CYS A 33 -10.591 -8.244 1.991 1.00 0.00 O ATOM 476 CB CYS A 33 -9.465 -8.244 -0.823 1.00 0.00 C ATOM 477 SG CYS A 33 -8.522 -8.396 -2.363 1.00 0.00 S ATOM 0 H CYS A 33 -9.722 -10.533 1.348 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.757 -8.644 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.423 -8.744 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.678 -7.187 -0.665 1.00 0.00 H new ATOM 482 N LYS A 34 -8.646 -7.231 2.301 1.00 0.00 N ATOM 483 CA LYS A 34 -9.186 -6.475 3.473 1.00 0.00 C ATOM 484 C LYS A 34 -10.311 -5.532 2.988 1.00 0.00 C ATOM 485 O LYS A 34 -10.366 -5.197 1.821 1.00 0.00 O ATOM 486 CB LYS A 34 -8.055 -5.658 4.101 1.00 0.00 C ATOM 487 CG LYS A 34 -7.519 -6.390 5.338 1.00 0.00 C ATOM 488 CD LYS A 34 -6.406 -5.552 5.974 1.00 0.00 C ATOM 489 CE LYS A 34 -6.979 -4.771 7.160 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.926 -3.917 7.779 1.00 0.00 N ATOM 0 H LYS A 34 -7.670 -7.050 2.068 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.588 -7.165 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.254 -5.511 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.418 -4.669 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.323 -6.554 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.137 -7.372 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.593 -6.198 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.987 -4.865 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.810 -4.150 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.376 -5.464 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.331 -3.394 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.146 -4.517 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.566 -3.243 7.073 1.00 0.00 H new ATOM 504 N PRO A 35 -11.191 -5.114 3.890 1.00 0.00 N ATOM 505 CA PRO A 35 -12.293 -4.223 3.512 1.00 0.00 C ATOM 506 C PRO A 35 -11.750 -2.913 2.880 1.00 0.00 C ATOM 507 O PRO A 35 -10.595 -2.578 3.047 1.00 0.00 O ATOM 508 CB PRO A 35 -13.035 -3.917 4.818 1.00 0.00 C ATOM 509 CG PRO A 35 -12.291 -4.670 5.962 1.00 0.00 C ATOM 510 CD PRO A 35 -11.157 -5.486 5.317 1.00 0.00 C ATOM 0 HA PRO A 35 -12.945 -4.684 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.049 -2.844 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.073 -4.243 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.890 -3.963 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.977 -5.325 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.193 -5.247 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.314 -6.556 5.451 1.00 0.00 H new ATOM 518 N PRO A 36 -12.611 -2.200 2.164 1.00 0.00 N ATOM 519 CA PRO A 36 -12.221 -0.929 1.523 1.00 0.00 C ATOM 520 C PRO A 36 -11.751 0.095 2.562 1.00 0.00 C ATOM 521 O PRO A 36 -12.404 0.311 3.562 1.00 0.00 O ATOM 522 CB PRO A 36 -13.495 -0.417 0.844 1.00 0.00 C ATOM 523 CG PRO A 36 -14.633 -1.434 1.151 1.00 0.00 C ATOM 524 CD PRO A 36 -14.012 -2.600 1.934 1.00 0.00 C ATOM 0 HA PRO A 36 -11.397 -1.076 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.756 0.574 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.345 -0.324 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.424 -0.960 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.087 -1.792 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.535 -2.766 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.069 -3.530 1.369 1.00 0.00 H new ATOM 532 N ARG A 37 -10.627 0.708 2.295 1.00 0.00 N ATOM 533 CA ARG A 37 -10.098 1.734 3.249 1.00 0.00 C ATOM 534 C ARG A 37 -8.830 2.375 2.673 1.00 0.00 C ATOM 535 O ARG A 37 -8.229 1.847 1.762 1.00 0.00 O ATOM 536 CB ARG A 37 -9.754 1.067 4.589 1.00 0.00 C ATOM 537 CG ARG A 37 -9.959 2.077 5.722 1.00 0.00 C ATOM 538 CD ARG A 37 -9.611 1.412 7.056 1.00 0.00 C ATOM 539 NE ARG A 37 -10.264 2.170 8.159 1.00 0.00 N ATOM 540 CZ ARG A 37 -9.566 2.502 9.210 1.00 0.00 C ATOM 541 NH1 ARG A 37 -8.945 1.566 9.876 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.513 3.757 9.562 1.00 0.00 N ATOM 0 H ARG A 37 -10.055 0.546 1.466 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.859 2.499 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.386 0.193 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.722 0.717 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.330 2.953 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.992 2.424 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.949 0.376 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.530 1.396 7.198 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.249 2.427 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.011 0.595 9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.394 1.806 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.013 4.461 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.972 4.035 10.381 1.00 0.00 H new ATOM 556 N CYS A 38 -8.465 3.512 3.201 1.00 0.00 N ATOM 557 CA CYS A 38 -7.219 4.178 2.709 1.00 0.00 C ATOM 558 C CYS A 38 -5.997 3.345 3.112 1.00 0.00 C ATOM 559 O CYS A 38 -5.836 2.996 4.264 1.00 0.00 O ATOM 560 CB CYS A 38 -7.113 5.575 3.326 1.00 0.00 C ATOM 561 SG CYS A 38 -8.155 6.881 2.624 1.00 0.00 S ATOM 0 H CYS A 38 -8.965 4.005 3.941 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.256 4.261 1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.347 5.492 4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.074 5.897 3.252 1.00 0.00 H new ATOM 566 N GLU A 39 -5.159 3.038 2.154 1.00 0.00 N ATOM 567 CA GLU A 39 -3.951 2.216 2.482 1.00 0.00 C ATOM 568 C GLU A 39 -2.972 2.195 1.302 1.00 0.00 C ATOM 569 O GLU A 39 -3.127 2.928 0.349 1.00 0.00 O ATOM 570 CB GLU A 39 -4.394 0.789 2.802 1.00 0.00 C ATOM 571 CG GLU A 39 -3.639 0.295 4.037 1.00 0.00 C ATOM 572 CD GLU A 39 -3.968 -1.180 4.277 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.362 -1.810 3.309 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.809 -1.592 5.414 1.00 0.00 O ATOM 0 H GLU A 39 -5.254 3.314 1.177 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.446 2.656 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.469 0.760 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.195 0.135 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.566 0.421 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.917 0.888 4.908 1.00 0.00 H new ATOM 581 N CYS A 40 -1.983 1.343 1.394 1.00 0.00 N ATOM 582 CA CYS A 40 -0.973 1.259 0.293 1.00 0.00 C ATOM 583 C CYS A 40 -1.602 0.649 -0.966 1.00 0.00 C ATOM 584 O CYS A 40 -2.644 0.026 -0.901 1.00 0.00 O ATOM 585 CB CYS A 40 0.194 0.389 0.756 1.00 0.00 C ATOM 586 SG CYS A 40 1.862 0.928 0.304 1.00 0.00 S ATOM 0 H CYS A 40 -1.831 0.706 2.176 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.620 2.262 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.147 0.312 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.045 -0.615 0.359 1.00 0.00 H new ATOM 591 N ILE A 41 -0.954 0.847 -2.090 1.00 0.00 N ATOM 592 CA ILE A 41 -1.500 0.295 -3.372 1.00 0.00 C ATOM 593 C ILE A 41 -0.374 -0.332 -4.210 1.00 0.00 C ATOM 594 O ILE A 41 0.457 0.368 -4.754 1.00 0.00 O ATOM 595 CB ILE A 41 -2.139 1.431 -4.179 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.115 2.214 -3.294 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.895 0.840 -5.368 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.391 3.438 -2.715 1.00 0.00 C ATOM 0 H ILE A 41 -0.078 1.362 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.241 -0.469 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.359 2.104 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.981 2.529 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.485 1.580 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.351 1.644 -5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.202 0.287 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.672 0.167 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.078 4.002 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.539 3.109 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.042 4.073 -3.529 1.00 0.00 H new ATOM 610 N ALA A 42 -0.375 -1.634 -4.302 1.00 0.00 N ATOM 611 CA ALA A 42 0.688 -2.309 -5.108 1.00 0.00 C ATOM 612 C ALA A 42 0.401 -2.139 -6.604 1.00 0.00 C ATOM 613 O ALA A 42 1.290 -1.861 -7.383 1.00 0.00 O ATOM 614 CB ALA A 42 0.716 -3.801 -4.768 1.00 0.00 C ATOM 0 H ALA A 42 -1.055 -2.254 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 42 1.652 -1.857 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.491 -4.294 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.929 -3.928 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.252 -4.245 -4.999 1.00 0.00 H new ATOM 620 N SER A 43 -0.839 -2.298 -6.968 1.00 0.00 N ATOM 621 CA SER A 43 -1.209 -2.163 -8.406 1.00 0.00 C ATOM 622 C SER A 43 -0.708 -0.830 -8.966 1.00 0.00 C ATOM 623 O SER A 43 -0.741 -0.608 -10.161 1.00 0.00 O ATOM 624 CB SER A 43 -2.729 -2.233 -8.538 1.00 0.00 C ATOM 625 OG SER A 43 -3.006 -1.524 -9.737 1.00 0.00 O ATOM 0 H SER A 43 -1.610 -2.515 -6.337 1.00 0.00 H new ATOM 0 HA SER A 43 -0.747 -2.973 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.077 -3.264 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.225 -1.776 -7.681 1.00 0.00 H new ATOM 0 HG SER A 43 -2.258 -1.632 -10.361 1.00 0.00 H new ATOM 631 N ALA A 44 -0.253 0.030 -8.092 1.00 0.00 N ATOM 632 CA ALA A 44 0.250 1.360 -8.562 1.00 0.00 C ATOM 633 C ALA A 44 1.781 1.379 -8.567 1.00 0.00 C ATOM 634 O ALA A 44 2.393 1.840 -9.510 1.00 0.00 O ATOM 635 CB ALA A 44 -0.266 2.448 -7.626 1.00 0.00 C ATOM 0 H ALA A 44 -0.207 -0.126 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.107 1.538 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.097 3.419 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.356 2.446 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.092 2.258 -6.614 1.00 0.00 H new ATOM 641 N GLY A 45 2.363 0.874 -7.510 1.00 0.00 N ATOM 642 CA GLY A 45 3.857 0.852 -7.426 1.00 0.00 C ATOM 643 C GLY A 45 4.333 1.310 -6.043 1.00 0.00 C ATOM 644 O GLY A 45 5.467 1.718 -5.879 1.00 0.00 O ATOM 0 H GLY A 45 1.875 0.479 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.222 -0.156 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.278 1.501 -8.194 1.00 0.00 H new ATOM 648 N PHE A 46 3.458 1.237 -5.074 1.00 0.00 N ATOM 649 CA PHE A 46 3.857 1.659 -3.699 1.00 0.00 C ATOM 650 C PHE A 46 4.413 0.458 -2.928 1.00 0.00 C ATOM 651 O PHE A 46 4.114 -0.676 -3.251 1.00 0.00 O ATOM 652 CB PHE A 46 2.637 2.219 -2.970 1.00 0.00 C ATOM 653 CG PHE A 46 2.256 3.570 -3.581 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.859 4.736 -3.142 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.305 3.642 -4.582 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.511 5.953 -3.698 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.959 4.859 -5.133 1.00 0.00 C ATOM 658 CZ PHE A 46 1.564 6.012 -4.690 1.00 0.00 C ATOM 0 H PHE A 46 2.497 0.908 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 46 4.628 2.427 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.802 1.523 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.856 2.336 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.605 4.695 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.829 2.739 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.985 6.859 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.213 4.906 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.294 6.964 -5.123 1.00 0.00 H new ATOM 668 N VAL A 47 5.212 0.730 -1.929 1.00 0.00 N ATOM 669 CA VAL A 47 5.802 -0.395 -1.134 1.00 0.00 C ATOM 670 C VAL A 47 5.823 -0.056 0.357 1.00 0.00 C ATOM 671 O VAL A 47 5.749 1.095 0.738 1.00 0.00 O ATOM 672 CB VAL A 47 7.230 -0.651 -1.615 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.317 -0.362 -3.105 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.198 0.273 -0.872 1.00 0.00 C ATOM 0 H VAL A 47 5.480 1.668 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 47 5.189 -1.285 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 47 7.495 -1.690 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.334 -0.543 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.628 -1.014 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.051 0.679 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.215 0.088 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.932 1.312 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.137 0.078 0.199 1.00 0.00 H new ATOM 684 N ARG A 48 5.924 -1.073 1.170 1.00 0.00 N ATOM 685 CA ARG A 48 5.961 -0.835 2.636 1.00 0.00 C ATOM 686 C ARG A 48 7.408 -0.689 3.116 1.00 0.00 C ATOM 687 O ARG A 48 8.218 -1.575 2.930 1.00 0.00 O ATOM 688 CB ARG A 48 5.307 -2.015 3.351 1.00 0.00 C ATOM 689 CG ARG A 48 3.997 -2.372 2.646 1.00 0.00 C ATOM 690 CD ARG A 48 2.893 -2.511 3.689 1.00 0.00 C ATOM 691 NE ARG A 48 3.313 -3.506 4.714 1.00 0.00 N ATOM 692 CZ ARG A 48 2.722 -3.516 5.877 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.765 -2.442 6.616 1.00 0.00 N ATOM 694 NH2 ARG A 48 2.106 -4.600 6.262 1.00 0.00 N ATOM 0 H ARG A 48 5.982 -2.050 0.883 1.00 0.00 H new ATOM 0 HA ARG A 48 5.421 0.085 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.979 -2.873 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.115 -1.762 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.736 -1.599 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.110 -3.303 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.696 -1.547 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.965 -2.829 3.214 1.00 0.00 H new ATOM 0 HE ARG A 48 4.056 -4.174 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.255 -1.612 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.308 -2.432 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.092 -5.421 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.638 -4.626 7.168 1.00 0.00 H new ATOM 708 N ASP A 49 7.700 0.429 3.724 1.00 0.00 N ATOM 709 CA ASP A 49 9.088 0.644 4.226 1.00 0.00 C ATOM 710 C ASP A 49 9.302 -0.139 5.521 1.00 0.00 C ATOM 711 O ASP A 49 8.391 -0.295 6.312 1.00 0.00 O ATOM 712 CB ASP A 49 9.304 2.126 4.498 1.00 0.00 C ATOM 713 CG ASP A 49 10.790 2.455 4.342 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.168 2.731 3.216 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.462 2.411 5.358 1.00 0.00 O ATOM 0 H ASP A 49 7.047 1.194 3.894 1.00 0.00 H new ATOM 0 HA ASP A 49 9.796 0.298 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.712 2.725 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.968 2.376 5.504 1.00 0.00 H new ATOM 720 N ALA A 50 10.507 -0.599 5.712 1.00 0.00 N ATOM 721 CA ALA A 50 10.812 -1.383 6.940 1.00 0.00 C ATOM 722 C ALA A 50 10.284 -0.653 8.172 1.00 0.00 C ATOM 723 O ALA A 50 10.017 -1.258 9.190 1.00 0.00 O ATOM 724 CB ALA A 50 12.326 -1.556 7.060 1.00 0.00 C ATOM 0 H ALA A 50 11.291 -0.466 5.073 1.00 0.00 H new ATOM 0 HA ALA A 50 10.331 -2.359 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.557 -2.130 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.702 -2.085 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.800 -0.577 7.123 1.00 0.00 H new ATOM 730 N GLN A 51 10.144 0.636 8.052 1.00 0.00 N ATOM 731 CA GLN A 51 9.632 1.423 9.208 1.00 0.00 C ATOM 732 C GLN A 51 8.104 1.393 9.215 1.00 0.00 C ATOM 733 O GLN A 51 7.465 2.244 9.802 1.00 0.00 O ATOM 734 CB GLN A 51 10.119 2.866 9.088 1.00 0.00 C ATOM 735 CG GLN A 51 11.599 2.928 9.468 1.00 0.00 C ATOM 736 CD GLN A 51 12.320 3.918 8.550 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.405 3.659 8.069 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.751 5.061 8.280 1.00 0.00 N ATOM 0 H GLN A 51 10.359 1.175 7.213 1.00 0.00 H new ATOM 0 HA GLN A 51 10.001 0.989 10.138 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.977 3.227 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.536 3.515 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.706 3.236 10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.050 1.939 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.840 5.284 8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.217 5.731 7.668 1.00 0.00 H new ATOM 747 N GLY A 52 7.552 0.408 8.560 1.00 0.00 N ATOM 748 CA GLY A 52 6.070 0.303 8.510 1.00 0.00 C ATOM 749 C GLY A 52 5.475 1.568 7.894 1.00 0.00 C ATOM 750 O GLY A 52 4.472 2.070 8.361 1.00 0.00 O ATOM 0 H GLY A 52 8.060 -0.322 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.779 -0.568 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.674 0.157 9.515 1.00 0.00 H new ATOM 754 N ASN A 53 6.110 2.055 6.853 1.00 0.00 N ATOM 755 CA ASN A 53 5.597 3.299 6.186 1.00 0.00 C ATOM 756 C ASN A 53 5.428 3.075 4.681 1.00 0.00 C ATOM 757 O ASN A 53 6.379 2.795 3.981 1.00 0.00 O ATOM 758 CB ASN A 53 6.591 4.436 6.418 1.00 0.00 C ATOM 759 CG ASN A 53 6.605 4.801 7.903 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.726 5.478 8.395 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.586 4.374 8.650 1.00 0.00 N ATOM 0 H ASN A 53 6.951 1.652 6.439 1.00 0.00 H new ATOM 0 HA ASN A 53 4.626 3.553 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.588 4.134 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.313 5.305 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.611 4.610 9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.327 3.805 8.242 1.00 0.00 H new ATOM 768 N CYS A 54 4.216 3.211 4.215 1.00 0.00 N ATOM 769 CA CYS A 54 3.963 3.012 2.756 1.00 0.00 C ATOM 770 C CYS A 54 4.533 4.182 1.954 1.00 0.00 C ATOM 771 O CYS A 54 4.121 5.312 2.125 1.00 0.00 O ATOM 772 CB CYS A 54 2.458 2.914 2.515 1.00 0.00 C ATOM 773 SG CYS A 54 1.897 2.889 0.793 1.00 0.00 S ATOM 0 H CYS A 54 3.396 3.449 4.774 1.00 0.00 H new ATOM 0 HA CYS A 54 4.451 2.093 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.096 2.008 3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.980 3.757 3.014 1.00 0.00 H new ATOM 778 N ILE A 55 5.473 3.885 1.096 1.00 0.00 N ATOM 779 CA ILE A 55 6.081 4.969 0.271 1.00 0.00 C ATOM 780 C ILE A 55 6.361 4.468 -1.148 1.00 0.00 C ATOM 781 O ILE A 55 6.569 3.291 -1.366 1.00 0.00 O ATOM 782 CB ILE A 55 7.391 5.427 0.921 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.379 4.253 0.975 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.106 5.905 2.345 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.654 4.708 1.686 1.00 0.00 C ATOM 0 H ILE A 55 5.843 2.949 0.932 1.00 0.00 H new ATOM 0 HA ILE A 55 5.383 5.805 0.215 1.00 0.00 H new ATOM 0 HB ILE A 55 7.821 6.239 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.934 3.410 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.612 3.910 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.035 6.232 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.402 6.737 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.677 5.087 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.362 3.880 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.100 5.538 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.411 5.030 2.698 1.00 0.00 H new ATOM 797 N LYS A 56 6.355 5.377 -2.082 1.00 0.00 N ATOM 798 CA LYS A 56 6.623 4.978 -3.496 1.00 0.00 C ATOM 799 C LYS A 56 7.860 4.076 -3.571 1.00 0.00 C ATOM 800 O LYS A 56 8.673 4.055 -2.668 1.00 0.00 O ATOM 801 CB LYS A 56 6.867 6.233 -4.335 1.00 0.00 C ATOM 802 CG LYS A 56 5.578 7.052 -4.403 1.00 0.00 C ATOM 803 CD LYS A 56 5.819 8.298 -5.261 1.00 0.00 C ATOM 804 CE LYS A 56 5.079 9.486 -4.640 1.00 0.00 C ATOM 805 NZ LYS A 56 5.600 9.767 -3.271 1.00 0.00 N ATOM 0 H LYS A 56 6.178 6.370 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 56 5.761 4.431 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.667 6.828 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.190 5.957 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.774 6.452 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.263 7.341 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.886 8.511 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.468 8.127 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.200 10.367 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.011 9.273 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.537 10.787 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.034 9.246 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.593 9.464 -3.208 1.00 0.00 H new ATOM 819 N PHE A 57 7.976 3.350 -4.650 1.00 0.00 N ATOM 820 CA PHE A 57 9.158 2.452 -4.809 1.00 0.00 C ATOM 821 C PHE A 57 10.435 3.285 -4.966 1.00 0.00 C ATOM 822 O PHE A 57 11.487 2.917 -4.482 1.00 0.00 O ATOM 823 CB PHE A 57 8.961 1.586 -6.055 1.00 0.00 C ATOM 824 CG PHE A 57 9.324 0.135 -5.735 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.528 -0.171 -5.125 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.451 -0.894 -6.052 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.853 -1.480 -4.838 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.780 -2.202 -5.761 1.00 0.00 C ATOM 829 CZ PHE A 57 9.980 -2.494 -5.155 1.00 0.00 C ATOM 0 H PHE A 57 7.310 3.339 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 57 9.253 1.821 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.926 1.647 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.584 1.956 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.218 0.621 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.508 -0.671 -6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.795 -1.709 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.094 -2.998 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.236 -3.518 -4.928 1.00 0.00 H new ATOM 839 N GLU A 58 10.313 4.397 -5.639 1.00 0.00 N ATOM 840 CA GLU A 58 11.509 5.266 -5.846 1.00 0.00 C ATOM 841 C GLU A 58 12.010 5.823 -4.509 1.00 0.00 C ATOM 842 O GLU A 58 13.103 6.350 -4.424 1.00 0.00 O ATOM 843 CB GLU A 58 11.129 6.423 -6.769 1.00 0.00 C ATOM 844 CG GLU A 58 10.690 5.862 -8.122 1.00 0.00 C ATOM 845 CD GLU A 58 9.926 6.939 -8.894 1.00 0.00 C ATOM 846 OE1 GLU A 58 8.943 7.406 -8.340 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.366 7.234 -9.992 1.00 0.00 O ATOM 0 H GLU A 58 9.446 4.740 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 58 12.306 4.673 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.323 7.008 -6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.977 7.095 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.560 5.537 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.058 4.985 -7.977 1.00 0.00 H new ATOM 854 N ASP A 59 11.204 5.697 -3.492 1.00 0.00 N ATOM 855 CA ASP A 59 11.624 6.216 -2.158 1.00 0.00 C ATOM 856 C ASP A 59 12.402 5.142 -1.391 1.00 0.00 C ATOM 857 O ASP A 59 12.947 5.400 -0.337 1.00 0.00 O ATOM 858 CB ASP A 59 10.382 6.614 -1.361 1.00 0.00 C ATOM 859 CG ASP A 59 9.617 7.699 -2.124 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.765 7.714 -3.336 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.928 8.449 -1.452 1.00 0.00 O ATOM 0 H ASP A 59 10.282 5.262 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 59 12.269 7.083 -2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.743 5.745 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.670 6.981 -0.376 1.00 0.00 H new ATOM 866 N CYS A 60 12.440 3.959 -1.943 1.00 0.00 N ATOM 867 CA CYS A 60 13.175 2.851 -1.264 1.00 0.00 C ATOM 868 C CYS A 60 14.554 3.363 -0.746 1.00 0.00 C ATOM 869 O CYS A 60 15.442 3.604 -1.539 1.00 0.00 O ATOM 870 CB CYS A 60 13.420 1.737 -2.281 1.00 0.00 C ATOM 871 SG CYS A 60 12.197 0.415 -2.380 1.00 0.00 S ATOM 0 H CYS A 60 11.998 3.712 -2.828 1.00 0.00 H new ATOM 0 HA CYS A 60 12.586 2.487 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.502 2.194 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.386 1.285 -2.058 1.00 0.00 H new ATOM 876 N PRO A 61 14.720 3.522 0.573 1.00 0.00 N ATOM 877 CA PRO A 61 15.998 4.005 1.116 1.00 0.00 C ATOM 878 C PRO A 61 17.135 3.028 0.771 1.00 0.00 C ATOM 879 O PRO A 61 16.891 1.925 0.325 1.00 0.00 O ATOM 880 CB PRO A 61 15.792 4.093 2.633 1.00 0.00 C ATOM 881 CG PRO A 61 14.324 3.670 2.930 1.00 0.00 C ATOM 882 CD PRO A 61 13.689 3.246 1.595 1.00 0.00 C ATOM 0 HA PRO A 61 16.280 4.970 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.492 3.440 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.978 5.107 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.299 2.848 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.769 4.496 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.417 2.191 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.777 3.808 1.396 1.00 0.00 H new ATOM 890 N LYS A 62 18.353 3.456 0.988 1.00 0.00 N ATOM 891 CA LYS A 62 19.516 2.569 0.665 1.00 0.00 C ATOM 892 C LYS A 62 19.303 1.901 -0.698 1.00 0.00 C ATOM 893 O LYS A 62 19.285 0.681 -0.708 1.00 0.00 O ATOM 894 CB LYS A 62 19.655 1.485 1.741 1.00 0.00 C ATOM 895 CG LYS A 62 19.563 2.117 3.135 1.00 0.00 C ATOM 896 CD LYS A 62 20.498 3.325 3.216 1.00 0.00 C ATOM 897 CE LYS A 62 20.735 3.674 4.688 1.00 0.00 C ATOM 898 NZ LYS A 62 19.606 3.181 5.528 1.00 0.00 N ATOM 899 OXT LYS A 62 19.171 2.650 -1.653 1.00 0.00 O ATOM 0 H LYS A 62 18.593 4.371 1.371 1.00 0.00 H new ATOM 0 HA LYS A 62 20.422 3.174 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 18.872 0.737 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 62 20.609 0.969 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.537 2.425 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.833 1.384 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.445 3.102 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.061 4.175 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.670 3.229 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.836 4.753 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.646 3.634 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.703 3.415 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.681 2.150 5.639 1.00 0.00 H new TER 913 LYS A 62