USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 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+ -159:sc= -0.0878 (180deg=-0.633) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -0.0599 (180deg=-0.389) USER MOD Single : A 6 THR OG1 : rot -94:sc= 0.0991 USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0807 (180deg=-0.598) USER MOD Single : A 9 ASN : amide:sc= -8.43! C(o=-8.4!,f=-7.8!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 13 THR OG1 : rot -156:sc= 0.236 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.573 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= -3.41! (180deg=-3.55!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.787 K(o=-0.79,f=-0.058) USER MOD Single : A 53 ASN : amide:sc= -6.64! K(o=-6.6!,f=-1.8) 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 -18.394 7.485 -3.643 1.00 0.00 N ATOM 2 CA GLU A 1 -17.988 8.831 -3.147 1.00 0.00 C ATOM 3 C GLU A 1 -16.753 8.694 -2.252 1.00 0.00 C ATOM 4 O GLU A 1 -16.803 8.977 -1.071 1.00 0.00 O ATOM 5 CB GLU A 1 -19.120 9.475 -2.345 1.00 0.00 C ATOM 6 CG GLU A 1 -20.445 9.247 -3.074 1.00 0.00 C ATOM 7 CD GLU A 1 -21.554 10.025 -2.365 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.203 10.987 -1.701 1.00 0.00 O ATOM 9 OE2 GLU A 1 -22.691 9.612 -2.523 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.976 7.591 -4.499 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.545 6.927 -3.868 1.00 0.00 H new ATOM 0 H3 GLU A 1 -18.945 6.996 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 1 -17.760 9.463 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -19.163 9.045 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.936 10.543 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.363 9.572 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -20.685 8.184 -3.091 1.00 0.00 H new ATOM 18 N ALA A 2 -15.669 8.260 -2.833 1.00 0.00 N ATOM 19 CA ALA A 2 -14.423 8.100 -2.029 1.00 0.00 C ATOM 20 C ALA A 2 -13.191 8.285 -2.919 1.00 0.00 C ATOM 21 O ALA A 2 -12.388 7.384 -3.066 1.00 0.00 O ATOM 22 CB ALA A 2 -14.403 6.702 -1.412 1.00 0.00 C ATOM 0 H ALA A 2 -15.591 8.011 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.404 8.854 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.495 6.577 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.274 6.576 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.427 5.954 -2.205 1.00 0.00 H new ATOM 28 N GLU A 3 -13.069 9.448 -3.496 1.00 0.00 N ATOM 29 CA GLU A 3 -11.895 9.709 -4.377 1.00 0.00 C ATOM 30 C GLU A 3 -10.595 9.449 -3.609 1.00 0.00 C ATOM 31 O GLU A 3 -10.606 8.857 -2.548 1.00 0.00 O ATOM 32 CB GLU A 3 -11.930 11.165 -4.841 1.00 0.00 C ATOM 33 CG GLU A 3 -13.183 11.391 -5.689 1.00 0.00 C ATOM 34 CD GLU A 3 -12.834 11.208 -7.168 1.00 0.00 C ATOM 35 OE1 GLU A 3 -12.081 10.287 -7.436 1.00 0.00 O ATOM 36 OE2 GLU A 3 -13.341 11.999 -7.946 1.00 0.00 O ATOM 0 H GLU A 3 -13.725 10.223 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.937 9.044 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.933 11.834 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.037 11.396 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.964 10.688 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.576 12.393 -5.518 1.00 0.00 H new ATOM 43 N LYS A 4 -9.504 9.899 -4.160 1.00 0.00 N ATOM 44 CA LYS A 4 -8.195 9.685 -3.475 1.00 0.00 C ATOM 45 C LYS A 4 -8.257 10.205 -2.034 1.00 0.00 C ATOM 46 O LYS A 4 -9.151 10.944 -1.675 1.00 0.00 O ATOM 47 CB LYS A 4 -7.103 10.432 -4.238 1.00 0.00 C ATOM 48 CG LYS A 4 -7.504 11.902 -4.379 1.00 0.00 C ATOM 49 CD LYS A 4 -7.583 12.258 -5.866 1.00 0.00 C ATOM 50 CE LYS A 4 -6.192 12.130 -6.491 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.183 11.060 -7.528 1.00 0.00 N ATOM 0 H LYS A 4 -9.459 10.401 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.973 8.618 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.153 10.351 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.960 9.986 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.467 12.077 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.777 12.540 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.285 11.596 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.958 13.274 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.899 13.080 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.459 11.901 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.482 11.292 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.935 10.151 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.126 10.989 -7.961 1.00 0.00 H new ATOM 65 N CYS A 5 -7.301 9.805 -1.241 1.00 0.00 N ATOM 66 CA CYS A 5 -7.284 10.265 0.178 1.00 0.00 C ATOM 67 C CYS A 5 -6.488 11.566 0.298 1.00 0.00 C ATOM 68 O CYS A 5 -6.194 12.211 -0.689 1.00 0.00 O ATOM 69 CB CYS A 5 -6.638 9.186 1.047 1.00 0.00 C ATOM 70 SG CYS A 5 -7.101 7.468 0.719 1.00 0.00 S ATOM 0 H CYS A 5 -6.537 9.185 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.306 10.445 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.556 9.270 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.874 9.406 2.088 1.00 0.00 H new ATOM 75 N THR A 6 -6.158 11.926 1.505 1.00 0.00 N ATOM 76 CA THR A 6 -5.387 13.186 1.708 1.00 0.00 C ATOM 77 C THR A 6 -3.883 12.901 1.715 1.00 0.00 C ATOM 78 O THR A 6 -3.162 13.325 0.831 1.00 0.00 O ATOM 79 CB THR A 6 -5.792 13.806 3.046 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.150 12.699 3.866 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.062 14.642 2.915 1.00 0.00 C ATOM 0 H THR A 6 -6.385 11.409 2.354 1.00 0.00 H new ATOM 0 HA THR A 6 -5.607 13.873 0.891 1.00 0.00 H new ATOM 0 HB THR A 6 -4.985 14.432 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.117 12.550 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.320 15.067 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.896 15.447 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.879 14.010 2.567 1.00 0.00 H new ATOM 89 N LYS A 7 -3.441 12.186 2.711 1.00 0.00 N ATOM 90 CA LYS A 7 -1.984 11.875 2.802 1.00 0.00 C ATOM 91 C LYS A 7 -1.495 11.219 1.478 1.00 0.00 C ATOM 92 O LYS A 7 -2.257 10.545 0.813 1.00 0.00 O ATOM 93 CB LYS A 7 -1.763 10.907 3.966 1.00 0.00 C ATOM 94 CG LYS A 7 -1.983 11.651 5.287 1.00 0.00 C ATOM 95 CD LYS A 7 -0.647 12.219 5.771 1.00 0.00 C ATOM 96 CE LYS A 7 -0.880 13.020 7.055 1.00 0.00 C ATOM 97 NZ LYS A 7 -1.776 14.182 6.790 1.00 0.00 N ATOM 0 H LYS A 7 -4.018 11.805 3.461 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.422 12.794 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.451 10.065 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.753 10.498 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.706 12.455 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.397 10.975 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.061 11.411 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.209 12.857 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.323 12.378 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.073 13.371 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.648 14.896 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.540 14.599 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.766 13.863 6.783 1.00 0.00 H new ATOM 111 N PRO A 8 -0.223 11.432 1.117 1.00 0.00 N ATOM 112 CA PRO A 8 0.336 10.840 -0.116 1.00 0.00 C ATOM 113 C PRO A 8 0.288 9.304 -0.062 1.00 0.00 C ATOM 114 O PRO A 8 0.057 8.732 0.979 1.00 0.00 O ATOM 115 CB PRO A 8 1.793 11.318 -0.166 1.00 0.00 C ATOM 116 CG PRO A 8 2.070 12.108 1.146 1.00 0.00 C ATOM 117 CD PRO A 8 0.731 12.261 1.883 1.00 0.00 C ATOM 0 HA PRO A 8 -0.232 11.141 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.472 10.470 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.959 11.951 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.792 11.578 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.499 13.085 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.808 11.922 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.413 13.303 1.912 1.00 0.00 H new ATOM 125 N ASN A 9 0.515 8.680 -1.199 1.00 0.00 N ATOM 126 CA ASN A 9 0.501 7.176 -1.257 1.00 0.00 C ATOM 127 C ASN A 9 -0.836 6.622 -0.759 1.00 0.00 C ATOM 128 O ASN A 9 -1.646 6.176 -1.546 1.00 0.00 O ATOM 129 CB ASN A 9 1.645 6.624 -0.404 1.00 0.00 C ATOM 130 CG ASN A 9 2.979 7.111 -0.975 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.912 6.356 -1.140 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.109 8.364 -1.299 1.00 0.00 N ATOM 0 H ASN A 9 0.709 9.144 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 9 0.632 6.865 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.536 6.954 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.615 5.534 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.990 8.702 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.330 9.009 -1.165 1.00 0.00 H new ATOM 139 N GLU A 10 -1.030 6.644 0.537 1.00 0.00 N ATOM 140 CA GLU A 10 -2.317 6.130 1.101 1.00 0.00 C ATOM 141 C GLU A 10 -3.488 6.549 0.210 1.00 0.00 C ATOM 142 O GLU A 10 -3.965 7.664 0.291 1.00 0.00 O ATOM 143 CB GLU A 10 -2.513 6.703 2.502 1.00 0.00 C ATOM 144 CG GLU A 10 -1.274 6.399 3.348 1.00 0.00 C ATOM 145 CD GLU A 10 -1.538 6.812 4.797 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.705 6.831 5.151 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.557 7.086 5.468 1.00 0.00 O ATOM 0 H GLU A 10 -0.360 6.992 1.223 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.280 5.042 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.676 7.779 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.399 6.269 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.037 5.336 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.411 6.937 2.956 1.00 0.00 H new ATOM 154 N GLN A 11 -3.920 5.636 -0.622 1.00 0.00 N ATOM 155 CA GLN A 11 -5.052 5.940 -1.543 1.00 0.00 C ATOM 156 C GLN A 11 -6.146 4.892 -1.367 1.00 0.00 C ATOM 157 O GLN A 11 -5.929 3.863 -0.764 1.00 0.00 O ATOM 158 CB GLN A 11 -4.549 5.919 -2.986 1.00 0.00 C ATOM 159 CG GLN A 11 -5.318 6.959 -3.799 1.00 0.00 C ATOM 160 CD GLN A 11 -5.176 6.646 -5.289 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.700 5.667 -5.782 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.477 7.450 -6.042 1.00 0.00 N ATOM 0 H GLN A 11 -3.537 4.694 -0.702 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.456 6.926 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.481 6.134 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.686 4.928 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.370 6.954 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.935 7.957 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.034 8.274 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.373 7.255 -7.038 1.00 0.00 H new ATOM 171 N TRP A 12 -7.293 5.170 -1.900 1.00 0.00 N ATOM 172 CA TRP A 12 -8.408 4.200 -1.755 1.00 0.00 C ATOM 173 C TRP A 12 -8.044 2.849 -2.353 1.00 0.00 C ATOM 174 O TRP A 12 -7.435 2.771 -3.402 1.00 0.00 O ATOM 175 CB TRP A 12 -9.634 4.721 -2.478 1.00 0.00 C ATOM 176 CG TRP A 12 -10.705 3.628 -2.467 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.960 2.806 -3.485 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.513 3.390 -1.462 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.983 2.060 -3.032 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.391 2.370 -1.760 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.555 3.997 -0.224 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.316 1.963 -0.828 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.479 3.588 0.712 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.361 2.570 0.408 1.00 0.00 C ATOM 0 H TRP A 12 -7.509 6.017 -2.425 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.607 4.080 -0.690 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.007 5.622 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.382 4.994 -3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.464 2.752 -4.443 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.419 1.325 -3.588 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.864 4.793 0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.007 1.168 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.514 4.062 1.682 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.087 2.249 1.140 1.00 0.00 H new ATOM 195 N THR A 13 -8.424 1.811 -1.664 1.00 0.00 N ATOM 196 CA THR A 13 -8.155 0.449 -2.186 1.00 0.00 C ATOM 197 C THR A 13 -9.365 -0.442 -1.895 1.00 0.00 C ATOM 198 O THR A 13 -9.798 -0.558 -0.763 1.00 0.00 O ATOM 199 CB THR A 13 -6.901 -0.132 -1.519 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.044 -1.543 -1.651 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.884 0.129 -0.015 1.00 0.00 C ATOM 0 H THR A 13 -8.907 1.849 -0.766 1.00 0.00 H new ATOM 0 HA THR A 13 -7.985 0.496 -3.262 1.00 0.00 H new ATOM 0 HB THR A 13 -6.009 0.302 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.519 -1.991 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.980 -0.299 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.901 1.203 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.759 -0.331 0.444 1.00 0.00 H new ATOM 209 N LYS A 14 -9.899 -1.044 -2.917 1.00 0.00 N ATOM 210 CA LYS A 14 -11.088 -1.912 -2.701 1.00 0.00 C ATOM 211 C LYS A 14 -10.727 -3.077 -1.769 1.00 0.00 C ATOM 212 O LYS A 14 -11.574 -3.595 -1.069 1.00 0.00 O ATOM 213 CB LYS A 14 -11.569 -2.460 -4.051 1.00 0.00 C ATOM 214 CG LYS A 14 -13.049 -2.099 -4.284 1.00 0.00 C ATOM 215 CD LYS A 14 -13.139 -0.671 -4.820 1.00 0.00 C ATOM 216 CE LYS A 14 -14.392 -0.001 -4.254 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.778 1.170 -5.088 1.00 0.00 N ATOM 0 H LYS A 14 -9.570 -0.975 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.882 -1.325 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.958 -2.050 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.444 -3.543 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.498 -2.795 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.608 -2.187 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.251 -0.107 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.177 -0.680 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.212 -0.718 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.209 0.320 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.630 1.614 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.001 1.861 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.973 0.855 -6.060 1.00 0.00 H new ATOM 231 N CYS A 15 -9.476 -3.462 -1.789 1.00 0.00 N ATOM 232 CA CYS A 15 -9.032 -4.587 -0.909 1.00 0.00 C ATOM 233 C CYS A 15 -7.707 -4.233 -0.225 1.00 0.00 C ATOM 234 O CYS A 15 -6.698 -4.051 -0.877 1.00 0.00 O ATOM 235 CB CYS A 15 -8.838 -5.839 -1.758 1.00 0.00 C ATOM 236 SG CYS A 15 -7.496 -6.961 -1.285 1.00 0.00 S ATOM 0 H CYS A 15 -8.747 -3.050 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.790 -4.764 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.770 -6.403 -1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.669 -5.526 -2.788 1.00 0.00 H new ATOM 241 N GLY A 16 -7.740 -4.143 1.075 1.00 0.00 N ATOM 242 CA GLY A 16 -6.494 -3.807 1.817 1.00 0.00 C ATOM 243 C GLY A 16 -5.799 -5.085 2.294 1.00 0.00 C ATOM 244 O GLY A 16 -6.087 -6.163 1.811 1.00 0.00 O ATOM 0 H GLY A 16 -8.569 -4.286 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.822 -3.238 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.731 -3.173 2.671 1.00 0.00 H new ATOM 248 N GLY A 17 -4.899 -4.933 3.235 1.00 0.00 N ATOM 249 CA GLY A 17 -4.166 -6.123 3.766 1.00 0.00 C ATOM 250 C GLY A 17 -2.656 -5.922 3.634 1.00 0.00 C ATOM 251 O GLY A 17 -2.063 -5.161 4.376 1.00 0.00 O ATOM 0 H GLY A 17 -4.642 -4.040 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.428 -6.282 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.469 -7.017 3.222 1.00 0.00 H new ATOM 255 N CYS A 18 -2.068 -6.609 2.689 1.00 0.00 N ATOM 256 CA CYS A 18 -0.593 -6.485 2.482 1.00 0.00 C ATOM 257 C CYS A 18 -0.306 -5.737 1.176 1.00 0.00 C ATOM 258 O CYS A 18 -1.214 -5.339 0.474 1.00 0.00 O ATOM 259 CB CYS A 18 0.015 -7.885 2.409 1.00 0.00 C ATOM 260 SG CYS A 18 -0.810 -9.196 3.344 1.00 0.00 S ATOM 0 H CYS A 18 -2.543 -7.249 2.053 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.156 -5.929 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.046 -8.185 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.047 -7.823 2.753 1.00 0.00 H new ATOM 265 N GLU A 19 0.952 -5.561 0.878 1.00 0.00 N ATOM 266 CA GLU A 19 1.310 -4.840 -0.379 1.00 0.00 C ATOM 267 C GLU A 19 2.658 -5.339 -0.910 1.00 0.00 C ATOM 268 O GLU A 19 3.102 -6.418 -0.572 1.00 0.00 O ATOM 269 CB GLU A 19 1.397 -3.341 -0.091 1.00 0.00 C ATOM 270 CG GLU A 19 0.847 -2.565 -1.291 1.00 0.00 C ATOM 271 CD GLU A 19 -0.684 -2.556 -1.231 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.182 -2.288 -0.150 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.269 -2.816 -2.269 1.00 0.00 O ATOM 0 H GLU A 19 1.740 -5.880 1.442 1.00 0.00 H new ATOM 0 HA GLU A 19 0.544 -5.029 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.828 -3.097 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.431 -3.055 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.228 -1.544 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.183 -3.024 -2.221 1.00 0.00 H new ATOM 280 N GLY A 20 3.279 -4.541 -1.734 1.00 0.00 N ATOM 281 CA GLY A 20 4.592 -4.954 -2.304 1.00 0.00 C ATOM 282 C GLY A 20 5.744 -4.433 -1.448 1.00 0.00 C ATOM 283 O GLY A 20 5.542 -3.651 -0.541 1.00 0.00 O ATOM 0 H GLY A 20 2.938 -3.628 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.641 -6.041 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.688 -4.573 -3.321 1.00 0.00 H new ATOM 287 N THR A 21 6.932 -4.882 -1.764 1.00 0.00 N ATOM 288 CA THR A 21 8.130 -4.432 -0.993 1.00 0.00 C ATOM 289 C THR A 21 9.185 -3.893 -1.961 1.00 0.00 C ATOM 290 O THR A 21 8.949 -3.812 -3.151 1.00 0.00 O ATOM 291 CB THR A 21 8.709 -5.615 -0.214 1.00 0.00 C ATOM 292 OG1 THR A 21 8.944 -6.616 -1.197 1.00 0.00 O ATOM 293 CG2 THR A 21 7.681 -6.217 0.741 1.00 0.00 C ATOM 0 H THR A 21 7.124 -5.539 -2.520 1.00 0.00 H new ATOM 0 HA THR A 21 7.840 -3.646 -0.296 1.00 0.00 H new ATOM 0 HB THR A 21 9.583 -5.295 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.464 -7.347 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.128 -7.054 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.361 -5.459 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.819 -6.568 0.174 1.00 0.00 H new ATOM 301 N CYS A 22 10.327 -3.547 -1.441 1.00 0.00 N ATOM 302 CA CYS A 22 11.395 -3.014 -2.331 1.00 0.00 C ATOM 303 C CYS A 22 12.039 -4.162 -3.109 1.00 0.00 C ATOM 304 O CYS A 22 13.012 -3.974 -3.810 1.00 0.00 O ATOM 305 CB CYS A 22 12.453 -2.311 -1.485 1.00 0.00 C ATOM 306 SG CYS A 22 13.326 -0.922 -2.236 1.00 0.00 S ATOM 0 H CYS A 22 10.567 -3.608 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 22 10.960 -2.305 -3.035 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.973 -1.955 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.194 -3.053 -1.186 1.00 0.00 H new ATOM 311 N ALA A 23 11.477 -5.333 -2.963 1.00 0.00 N ATOM 312 CA ALA A 23 12.043 -6.512 -3.678 1.00 0.00 C ATOM 313 C ALA A 23 10.922 -7.449 -4.161 1.00 0.00 C ATOM 314 O ALA A 23 11.186 -8.453 -4.791 1.00 0.00 O ATOM 315 CB ALA A 23 12.963 -7.268 -2.724 1.00 0.00 C ATOM 0 H ALA A 23 10.658 -5.522 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 23 12.600 -6.167 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.384 -8.134 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.769 -6.611 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.393 -7.600 -1.856 1.00 0.00 H new ATOM 321 N GLN A 24 9.697 -7.100 -3.860 1.00 0.00 N ATOM 322 CA GLN A 24 8.562 -7.968 -4.298 1.00 0.00 C ATOM 323 C GLN A 24 7.305 -7.119 -4.509 1.00 0.00 C ATOM 324 O GLN A 24 6.527 -6.915 -3.597 1.00 0.00 O ATOM 325 CB GLN A 24 8.286 -9.030 -3.227 1.00 0.00 C ATOM 326 CG GLN A 24 9.022 -10.325 -3.585 1.00 0.00 C ATOM 327 CD GLN A 24 8.703 -11.392 -2.533 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.332 -11.465 -1.497 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.734 -12.236 -2.761 1.00 0.00 N ATOM 0 H GLN A 24 9.435 -6.264 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 24 8.827 -8.455 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.614 -8.671 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.215 -9.217 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.718 -10.669 -4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.097 -10.147 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.202 -12.179 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.508 -12.952 -2.071 1.00 0.00 H new ATOM 338 N LYS A 25 7.141 -6.639 -5.709 1.00 0.00 N ATOM 339 CA LYS A 25 5.946 -5.797 -6.016 1.00 0.00 C ATOM 340 C LYS A 25 4.687 -6.394 -5.378 1.00 0.00 C ATOM 341 O LYS A 25 3.739 -5.687 -5.099 1.00 0.00 O ATOM 342 CB LYS A 25 5.759 -5.734 -7.530 1.00 0.00 C ATOM 343 CG LYS A 25 4.756 -4.620 -7.867 1.00 0.00 C ATOM 344 CD LYS A 25 5.486 -3.430 -8.504 1.00 0.00 C ATOM 345 CE LYS A 25 5.711 -3.708 -9.994 1.00 0.00 C ATOM 346 NZ LYS A 25 5.915 -5.165 -10.234 1.00 0.00 N ATOM 0 H LYS A 25 7.779 -6.791 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 25 6.104 -4.798 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.714 -5.541 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.397 -6.692 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.996 -4.999 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.240 -4.298 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.900 -2.520 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.441 -3.266 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.854 -3.357 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.580 -3.151 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.099 -5.328 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.727 -5.498 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.061 -5.687 -9.949 1.00 0.00 H new ATOM 360 N ILE A 26 4.696 -7.687 -5.185 1.00 0.00 N ATOM 361 CA ILE A 26 3.510 -8.350 -4.560 1.00 0.00 C ATOM 362 C ILE A 26 3.973 -9.386 -3.532 1.00 0.00 C ATOM 363 O ILE A 26 4.627 -10.352 -3.871 1.00 0.00 O ATOM 364 CB ILE A 26 2.685 -9.039 -5.651 1.00 0.00 C ATOM 365 CG1 ILE A 26 1.988 -7.965 -6.503 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.630 -9.936 -4.993 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.344 -8.613 -7.735 1.00 0.00 C ATOM 0 H ILE A 26 5.466 -8.310 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 26 2.899 -7.601 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 26 3.334 -9.645 -6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.228 -7.455 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.710 -7.210 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.039 -10.429 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.124 -10.688 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.975 -9.329 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.852 -7.847 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.113 -9.102 -8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.608 -9.351 -7.415 1.00 0.00 H new ATOM 379 N VAL A 27 3.623 -9.161 -2.297 1.00 0.00 N ATOM 380 CA VAL A 27 4.038 -10.119 -1.233 1.00 0.00 C ATOM 381 C VAL A 27 2.900 -11.155 -0.979 1.00 0.00 C ATOM 382 O VAL A 27 1.754 -10.773 -0.858 1.00 0.00 O ATOM 383 CB VAL A 27 4.296 -9.329 0.051 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.958 -8.878 0.643 1.00 0.00 C ATOM 385 CG2 VAL A 27 5.016 -10.221 1.061 1.00 0.00 C ATOM 0 H VAL A 27 3.073 -8.363 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 27 4.938 -10.650 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 27 4.913 -8.459 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.137 -8.314 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.436 -8.246 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.347 -9.752 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.200 -9.659 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.396 -11.089 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.966 -10.553 0.641 1.00 0.00 H new ATOM 395 N PRO A 28 3.225 -12.455 -0.901 1.00 0.00 N ATOM 396 CA PRO A 28 2.194 -13.473 -0.651 1.00 0.00 C ATOM 397 C PRO A 28 1.495 -13.219 0.690 1.00 0.00 C ATOM 398 O PRO A 28 2.069 -12.637 1.590 1.00 0.00 O ATOM 399 CB PRO A 28 2.940 -14.813 -0.614 1.00 0.00 C ATOM 400 CG PRO A 28 4.454 -14.508 -0.806 1.00 0.00 C ATOM 401 CD PRO A 28 4.593 -12.996 -1.055 1.00 0.00 C ATOM 0 HA PRO A 28 1.422 -13.457 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.768 -15.322 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.579 -15.475 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.020 -14.805 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.855 -15.074 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.280 -12.540 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.987 -12.795 -2.051 1.00 0.00 H new ATOM 409 N CYS A 29 0.272 -13.657 0.793 1.00 0.00 N ATOM 410 CA CYS A 29 -0.475 -13.449 2.068 1.00 0.00 C ATOM 411 C CYS A 29 -1.721 -14.340 2.108 1.00 0.00 C ATOM 412 O CYS A 29 -2.608 -14.211 1.289 1.00 0.00 O ATOM 413 CB CYS A 29 -0.887 -11.982 2.168 1.00 0.00 C ATOM 414 SG CYS A 29 0.284 -10.846 2.952 1.00 0.00 S ATOM 0 H CYS A 29 -0.240 -14.146 0.059 1.00 0.00 H new ATOM 0 HA CYS A 29 0.167 -13.713 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.088 -11.618 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.827 -11.932 2.718 1.00 0.00 H new ATOM 419 N THR A 30 -1.755 -15.227 3.065 1.00 0.00 N ATOM 420 CA THR A 30 -2.931 -16.139 3.179 1.00 0.00 C ATOM 421 C THR A 30 -4.198 -15.330 3.481 1.00 0.00 C ATOM 422 O THR A 30 -5.298 -15.782 3.231 1.00 0.00 O ATOM 423 CB THR A 30 -2.680 -17.137 4.313 1.00 0.00 C ATOM 424 OG1 THR A 30 -2.704 -16.353 5.501 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.271 -17.719 4.241 1.00 0.00 C ATOM 0 H THR A 30 -1.027 -15.360 3.767 1.00 0.00 H new ATOM 0 HA THR A 30 -3.068 -16.671 2.238 1.00 0.00 H new ATOM 0 HB THR A 30 -3.410 -17.945 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.550 -16.931 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.126 -18.423 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.139 -18.236 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.540 -16.914 4.321 1.00 0.00 H new ATOM 433 N ARG A 31 -4.015 -14.151 4.010 1.00 0.00 N ATOM 434 CA ARG A 31 -5.200 -13.304 4.331 1.00 0.00 C ATOM 435 C ARG A 31 -6.097 -13.168 3.095 1.00 0.00 C ATOM 436 O ARG A 31 -5.733 -13.590 2.016 1.00 0.00 O ATOM 437 CB ARG A 31 -4.721 -11.920 4.770 1.00 0.00 C ATOM 438 CG ARG A 31 -3.682 -12.078 5.882 1.00 0.00 C ATOM 439 CD ARG A 31 -4.007 -11.103 7.014 1.00 0.00 C ATOM 440 NE ARG A 31 -4.274 -9.757 6.432 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.656 -8.714 6.917 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.976 -8.290 8.107 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.739 -8.133 6.193 1.00 0.00 N ATOM 0 H ARG A 31 -3.108 -13.741 4.232 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.772 -13.770 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.288 -11.386 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.563 -11.326 5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.684 -13.102 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.683 -11.883 5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.876 -11.451 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.176 -11.051 7.717 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.934 -9.652 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.698 -8.771 8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.504 -7.477 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.516 -8.495 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.245 -7.317 6.554 1.00 0.00 H new ATOM 457 N GLU A 32 -7.250 -12.578 3.281 1.00 0.00 N ATOM 458 CA GLU A 32 -8.183 -12.409 2.129 1.00 0.00 C ATOM 459 C GLU A 32 -8.087 -10.984 1.582 1.00 0.00 C ATOM 460 O GLU A 32 -7.469 -10.746 0.564 1.00 0.00 O ATOM 461 CB GLU A 32 -9.612 -12.674 2.602 1.00 0.00 C ATOM 462 CG GLU A 32 -9.730 -14.131 3.056 1.00 0.00 C ATOM 463 CD GLU A 32 -10.866 -14.253 4.072 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.980 -13.947 3.679 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.558 -14.645 5.185 1.00 0.00 O ATOM 0 H GLU A 32 -7.583 -12.209 4.172 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.914 -13.112 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.866 -12.003 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.318 -12.473 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.922 -14.777 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.792 -14.463 3.501 1.00 0.00 H new ATOM 472 N CYS A 33 -8.701 -10.071 2.274 1.00 0.00 N ATOM 473 CA CYS A 33 -8.665 -8.652 1.814 1.00 0.00 C ATOM 474 C CYS A 33 -9.360 -7.748 2.835 1.00 0.00 C ATOM 475 O CYS A 33 -10.572 -7.729 2.921 1.00 0.00 O ATOM 476 CB CYS A 33 -9.390 -8.543 0.472 1.00 0.00 C ATOM 477 SG CYS A 33 -8.401 -8.751 -1.032 1.00 0.00 S ATOM 0 H CYS A 33 -9.224 -10.240 3.133 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.627 -8.337 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.185 -9.289 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.869 -7.565 0.427 1.00 0.00 H new ATOM 482 N LYS A 34 -8.584 -7.019 3.594 1.00 0.00 N ATOM 483 CA LYS A 34 -9.203 -6.113 4.604 1.00 0.00 C ATOM 484 C LYS A 34 -10.348 -5.325 3.930 1.00 0.00 C ATOM 485 O LYS A 34 -10.357 -5.172 2.725 1.00 0.00 O ATOM 486 CB LYS A 34 -8.141 -5.140 5.120 1.00 0.00 C ATOM 487 CG LYS A 34 -7.605 -5.646 6.464 1.00 0.00 C ATOM 488 CD LYS A 34 -6.508 -4.697 6.957 1.00 0.00 C ATOM 489 CE LYS A 34 -6.083 -5.111 8.368 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.627 -4.860 8.569 1.00 0.00 N ATOM 0 H LYS A 34 -7.565 -7.011 3.560 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.599 -6.692 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.328 -5.055 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.569 -4.144 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.412 -5.699 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.208 -6.655 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.652 -4.729 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.873 -3.670 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.660 -4.554 9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.301 -6.167 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.355 -5.146 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.081 -5.411 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.428 -3.847 8.440 1.00 0.00 H new ATOM 504 N PRO A 35 -11.297 -4.836 4.712 1.00 0.00 N ATOM 505 CA PRO A 35 -12.421 -4.082 4.147 1.00 0.00 C ATOM 506 C PRO A 35 -11.900 -2.865 3.331 1.00 0.00 C ATOM 507 O PRO A 35 -10.837 -2.349 3.610 1.00 0.00 O ATOM 508 CB PRO A 35 -13.234 -3.602 5.356 1.00 0.00 C ATOM 509 CG PRO A 35 -12.516 -4.125 6.639 1.00 0.00 C ATOM 510 CD PRO A 35 -11.322 -4.980 6.180 1.00 0.00 C ATOM 0 HA PRO A 35 -13.019 -4.690 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.297 -2.514 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.255 -3.980 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.178 -3.293 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.200 -4.716 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.391 -4.632 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.446 -6.022 6.473 1.00 0.00 H new ATOM 518 N PRO A 36 -12.667 -2.430 2.332 1.00 0.00 N ATOM 519 CA PRO A 36 -12.271 -1.274 1.509 1.00 0.00 C ATOM 520 C PRO A 36 -11.946 -0.060 2.390 1.00 0.00 C ATOM 521 O PRO A 36 -12.719 0.303 3.253 1.00 0.00 O ATOM 522 CB PRO A 36 -13.490 -0.977 0.632 1.00 0.00 C ATOM 523 CG PRO A 36 -14.530 -2.105 0.873 1.00 0.00 C ATOM 524 CD PRO A 36 -13.957 -3.036 1.955 1.00 0.00 C ATOM 0 HA PRO A 36 -11.377 -1.484 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.915 -0.005 0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.205 -0.938 -0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.484 -1.686 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.718 -2.657 -0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.627 -3.105 2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.822 -4.048 1.574 1.00 0.00 H new ATOM 532 N ARG A 37 -10.814 0.549 2.139 1.00 0.00 N ATOM 533 CA ARG A 37 -10.420 1.740 2.956 1.00 0.00 C ATOM 534 C ARG A 37 -9.135 2.368 2.397 1.00 0.00 C ATOM 535 O ARG A 37 -8.482 1.796 1.550 1.00 0.00 O ATOM 536 CB ARG A 37 -10.172 1.288 4.400 1.00 0.00 C ATOM 537 CG ARG A 37 -9.760 2.493 5.246 1.00 0.00 C ATOM 538 CD ARG A 37 -10.056 2.194 6.716 1.00 0.00 C ATOM 539 NE ARG A 37 -9.487 3.283 7.556 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.018 4.475 7.506 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.130 4.642 6.844 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.420 5.458 8.118 1.00 0.00 N ATOM 0 H ARG A 37 -10.152 0.278 1.412 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.219 2.480 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.074 0.833 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.391 0.528 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.699 2.703 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.304 3.382 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.132 2.118 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.623 1.235 7.000 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.690 3.100 8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.569 3.849 6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.560 5.566 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.551 5.290 8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.821 6.396 8.089 1.00 0.00 H new ATOM 556 N CYS A 38 -8.811 3.542 2.872 1.00 0.00 N ATOM 557 CA CYS A 38 -7.556 4.208 2.398 1.00 0.00 C ATOM 558 C CYS A 38 -6.340 3.351 2.780 1.00 0.00 C ATOM 559 O CYS A 38 -6.253 2.865 3.890 1.00 0.00 O ATOM 560 CB CYS A 38 -7.437 5.582 3.059 1.00 0.00 C ATOM 561 SG CYS A 38 -8.295 6.967 2.269 1.00 0.00 S ATOM 0 H CYS A 38 -9.352 4.066 3.560 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.590 4.321 1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.806 5.497 4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.378 5.834 3.122 1.00 0.00 H new ATOM 566 N GLU A 39 -5.425 3.180 1.857 1.00 0.00 N ATOM 567 CA GLU A 39 -4.222 2.345 2.179 1.00 0.00 C ATOM 568 C GLU A 39 -3.215 2.363 1.019 1.00 0.00 C ATOM 569 O GLU A 39 -3.396 3.061 0.043 1.00 0.00 O ATOM 570 CB GLU A 39 -4.672 0.905 2.438 1.00 0.00 C ATOM 571 CG GLU A 39 -4.211 0.477 3.833 1.00 0.00 C ATOM 572 CD GLU A 39 -4.653 -0.965 4.093 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.310 -1.793 3.265 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.308 -1.156 5.103 1.00 0.00 O ATOM 0 H GLU A 39 -5.454 3.571 0.916 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.735 2.756 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.757 0.831 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.253 0.239 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.127 0.556 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.634 1.140 4.587 1.00 0.00 H new ATOM 581 N CYS A 40 -2.170 1.584 1.160 1.00 0.00 N ATOM 582 CA CYS A 40 -1.128 1.532 0.086 1.00 0.00 C ATOM 583 C CYS A 40 -1.690 0.853 -1.172 1.00 0.00 C ATOM 584 O CYS A 40 -2.746 0.254 -1.133 1.00 0.00 O ATOM 585 CB CYS A 40 0.075 0.741 0.603 1.00 0.00 C ATOM 586 SG CYS A 40 1.722 1.313 0.115 1.00 0.00 S ATOM 0 H CYS A 40 -1.994 0.985 1.967 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.826 2.547 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.030 0.734 1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.034 -0.292 0.273 1.00 0.00 H new ATOM 591 N ILE A 41 -0.961 0.955 -2.258 1.00 0.00 N ATOM 592 CA ILE A 41 -1.439 0.333 -3.537 1.00 0.00 C ATOM 593 C ILE A 41 -0.277 -0.368 -4.263 1.00 0.00 C ATOM 594 O ILE A 41 0.632 0.272 -4.746 1.00 0.00 O ATOM 595 CB ILE A 41 -2.008 1.432 -4.442 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.075 2.224 -3.677 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.641 0.794 -5.679 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.439 3.478 -3.070 1.00 0.00 C ATOM 0 H ILE A 41 -0.064 1.437 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.207 -0.406 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.205 2.103 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.887 2.503 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.509 1.606 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.046 1.574 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.885 0.229 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.444 0.124 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.196 4.043 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.642 3.187 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.026 4.098 -3.866 1.00 0.00 H new ATOM 610 N ALA A 42 -0.341 -1.668 -4.339 1.00 0.00 N ATOM 611 CA ALA A 42 0.756 -2.411 -5.032 1.00 0.00 C ATOM 612 C ALA A 42 0.605 -2.290 -6.554 1.00 0.00 C ATOM 613 O ALA A 42 1.575 -2.115 -7.265 1.00 0.00 O ATOM 614 CB ALA A 42 0.693 -3.886 -4.636 1.00 0.00 C ATOM 0 H ALA A 42 -1.092 -2.244 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 42 1.714 -1.984 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.491 -4.432 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.814 -3.978 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.271 -4.301 -4.930 1.00 0.00 H new ATOM 620 N SER A 43 -0.612 -2.375 -7.016 1.00 0.00 N ATOM 621 CA SER A 43 -0.851 -2.286 -8.488 1.00 0.00 C ATOM 622 C SER A 43 -0.327 -0.958 -9.048 1.00 0.00 C ATOM 623 O SER A 43 -0.318 -0.757 -10.246 1.00 0.00 O ATOM 624 CB SER A 43 -2.352 -2.394 -8.757 1.00 0.00 C ATOM 625 OG SER A 43 -2.514 -3.698 -9.298 1.00 0.00 O ATOM 0 H SER A 43 -1.447 -2.501 -6.444 1.00 0.00 H new ATOM 0 HA SER A 43 -0.319 -3.101 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.931 -2.267 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.688 -1.628 -9.456 1.00 0.00 H new ATOM 0 HG SER A 43 -3.460 -3.853 -9.500 1.00 0.00 H new ATOM 631 N ALA A 44 0.100 -0.084 -8.172 1.00 0.00 N ATOM 632 CA ALA A 44 0.623 1.236 -8.653 1.00 0.00 C ATOM 633 C ALA A 44 2.153 1.238 -8.644 1.00 0.00 C ATOM 634 O ALA A 44 2.780 1.709 -9.573 1.00 0.00 O ATOM 635 CB ALA A 44 0.114 2.340 -7.734 1.00 0.00 C ATOM 0 H ALA A 44 0.111 -0.221 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 44 0.275 1.406 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.491 3.303 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.976 2.351 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.462 2.157 -6.718 1.00 0.00 H new ATOM 641 N GLY A 45 2.717 0.706 -7.591 1.00 0.00 N ATOM 642 CA GLY A 45 4.209 0.668 -7.489 1.00 0.00 C ATOM 643 C GLY A 45 4.666 1.145 -6.108 1.00 0.00 C ATOM 644 O GLY A 45 5.774 1.619 -5.948 1.00 0.00 O ATOM 0 H GLY A 45 2.215 0.299 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.565 -0.347 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.648 1.299 -8.262 1.00 0.00 H new ATOM 648 N PHE A 46 3.801 1.014 -5.139 1.00 0.00 N ATOM 649 CA PHE A 46 4.176 1.451 -3.763 1.00 0.00 C ATOM 650 C PHE A 46 4.727 0.260 -2.970 1.00 0.00 C ATOM 651 O PHE A 46 4.268 -0.853 -3.130 1.00 0.00 O ATOM 652 CB PHE A 46 2.939 2.008 -3.058 1.00 0.00 C ATOM 653 CG PHE A 46 2.556 3.360 -3.673 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.188 4.521 -3.266 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.570 3.438 -4.646 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.839 5.737 -3.823 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.225 4.655 -5.195 1.00 0.00 C ATOM 658 CZ PHE A 46 1.859 5.800 -4.784 1.00 0.00 C ATOM 0 H PHE A 46 2.862 0.628 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 46 4.943 2.223 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.109 1.307 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.138 2.126 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.958 4.477 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.069 2.540 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.338 6.640 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.454 4.707 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.588 6.752 -5.216 1.00 0.00 H new ATOM 668 N VAL A 47 5.701 0.527 -2.135 1.00 0.00 N ATOM 669 CA VAL A 47 6.305 -0.576 -1.318 1.00 0.00 C ATOM 670 C VAL A 47 6.229 -0.236 0.166 1.00 0.00 C ATOM 671 O VAL A 47 6.212 0.919 0.541 1.00 0.00 O ATOM 672 CB VAL A 47 7.767 -0.748 -1.712 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.840 -1.170 -3.173 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.499 0.581 -1.533 1.00 0.00 C ATOM 0 H VAL A 47 6.103 1.452 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 47 5.753 -1.497 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 47 8.232 -1.507 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.883 -1.295 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.310 -2.113 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.379 -0.404 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.545 0.461 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.038 1.339 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.437 0.893 -0.490 1.00 0.00 H new ATOM 684 N ARG A 48 6.186 -1.251 0.983 1.00 0.00 N ATOM 685 CA ARG A 48 6.115 -0.996 2.443 1.00 0.00 C ATOM 686 C ARG A 48 7.521 -0.895 3.037 1.00 0.00 C ATOM 687 O ARG A 48 8.399 -1.665 2.698 1.00 0.00 O ATOM 688 CB ARG A 48 5.356 -2.136 3.117 1.00 0.00 C ATOM 689 CG ARG A 48 4.140 -2.498 2.269 1.00 0.00 C ATOM 690 CD ARG A 48 3.097 -3.178 3.153 1.00 0.00 C ATOM 691 NE ARG A 48 3.734 -4.319 3.870 1.00 0.00 N ATOM 692 CZ ARG A 48 4.241 -4.128 5.058 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.585 -3.395 5.916 1.00 0.00 N ATOM 694 NH2 ARG A 48 5.387 -4.681 5.350 1.00 0.00 N ATOM 0 H ARG A 48 6.197 -2.232 0.706 1.00 0.00 H new ATOM 0 HA ARG A 48 5.595 -0.053 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.006 -3.004 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.041 -1.838 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.719 -1.602 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.433 -3.162 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.689 -2.465 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.264 -3.533 2.546 1.00 0.00 H new ATOM 0 HE ARG A 48 3.774 -5.241 3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.690 -2.981 5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.967 -3.236 6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.870 -5.251 4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.799 -4.543 6.273 1.00 0.00 H new ATOM 708 N ASP A 49 7.707 0.055 3.914 1.00 0.00 N ATOM 709 CA ASP A 49 9.051 0.214 4.541 1.00 0.00 C ATOM 710 C ASP A 49 9.152 -0.655 5.794 1.00 0.00 C ATOM 711 O ASP A 49 8.171 -0.876 6.482 1.00 0.00 O ATOM 712 CB ASP A 49 9.260 1.675 4.925 1.00 0.00 C ATOM 713 CG ASP A 49 10.758 1.982 4.937 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.378 1.607 5.919 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.198 2.573 3.965 1.00 0.00 O ATOM 0 H ASP A 49 6.997 0.720 4.220 1.00 0.00 H new ATOM 0 HA ASP A 49 9.815 -0.096 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.749 2.326 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.829 1.871 5.907 1.00 0.00 H new ATOM 720 N ALA A 50 10.338 -1.122 6.068 1.00 0.00 N ATOM 721 CA ALA A 50 10.531 -1.982 7.266 1.00 0.00 C ATOM 722 C ALA A 50 9.843 -1.353 8.474 1.00 0.00 C ATOM 723 O ALA A 50 9.527 -2.024 9.437 1.00 0.00 O ATOM 724 CB ALA A 50 12.026 -2.124 7.547 1.00 0.00 C ATOM 0 H ALA A 50 11.178 -0.946 5.516 1.00 0.00 H new ATOM 0 HA ALA A 50 10.096 -2.964 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.173 -2.754 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.516 -2.580 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.457 -1.140 7.730 1.00 0.00 H new ATOM 730 N GLN A 51 9.626 -0.071 8.397 1.00 0.00 N ATOM 731 CA GLN A 51 8.955 0.626 9.529 1.00 0.00 C ATOM 732 C GLN A 51 7.442 0.417 9.445 1.00 0.00 C ATOM 733 O GLN A 51 6.675 1.141 10.049 1.00 0.00 O ATOM 734 CB GLN A 51 9.271 2.119 9.453 1.00 0.00 C ATOM 735 CG GLN A 51 10.788 2.312 9.477 1.00 0.00 C ATOM 736 CD GLN A 51 11.119 3.642 10.157 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.191 3.825 10.700 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.227 4.594 10.151 1.00 0.00 N ATOM 0 H GLN A 51 9.881 0.521 7.607 1.00 0.00 H new ATOM 0 HA GLN A 51 9.317 0.219 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.852 2.546 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.812 2.644 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.262 1.489 10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.183 2.302 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.326 4.446 9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.431 5.487 10.601 1.00 0.00 H new ATOM 747 N GLY A 52 7.045 -0.577 8.698 1.00 0.00 N ATOM 748 CA GLY A 52 5.588 -0.850 8.557 1.00 0.00 C ATOM 749 C GLY A 52 4.878 0.366 7.964 1.00 0.00 C ATOM 750 O GLY A 52 3.748 0.654 8.307 1.00 0.00 O ATOM 0 H GLY A 52 7.661 -1.207 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.434 -1.718 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.160 -1.091 9.530 1.00 0.00 H new ATOM 754 N ASN A 53 5.560 1.053 7.080 1.00 0.00 N ATOM 755 CA ASN A 53 4.945 2.266 6.446 1.00 0.00 C ATOM 756 C ASN A 53 4.642 1.995 4.969 1.00 0.00 C ATOM 757 O ASN A 53 4.675 0.868 4.526 1.00 0.00 O ATOM 758 CB ASN A 53 5.923 3.436 6.559 1.00 0.00 C ATOM 759 CG ASN A 53 5.937 3.945 8.001 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.349 4.960 8.318 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.594 3.273 8.900 1.00 0.00 N ATOM 0 H ASN A 53 6.506 0.831 6.771 1.00 0.00 H new ATOM 0 HA ASN A 53 4.013 2.507 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.923 3.119 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.629 4.237 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.614 3.599 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.089 2.420 8.639 1.00 0.00 H new ATOM 768 N CYS A 54 4.344 3.042 4.244 1.00 0.00 N ATOM 769 CA CYS A 54 4.036 2.872 2.790 1.00 0.00 C ATOM 770 C CYS A 54 4.637 4.035 1.990 1.00 0.00 C ATOM 771 O CYS A 54 4.240 5.171 2.155 1.00 0.00 O ATOM 772 CB CYS A 54 2.518 2.849 2.601 1.00 0.00 C ATOM 773 SG CYS A 54 1.879 3.153 0.933 1.00 0.00 S ATOM 0 H CYS A 54 4.300 4.000 4.591 1.00 0.00 H new ATOM 0 HA CYS A 54 4.467 1.937 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.153 1.876 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.084 3.594 3.268 1.00 0.00 H new ATOM 778 N ILE A 55 5.584 3.724 1.139 1.00 0.00 N ATOM 779 CA ILE A 55 6.227 4.805 0.329 1.00 0.00 C ATOM 780 C ILE A 55 6.505 4.324 -1.098 1.00 0.00 C ATOM 781 O ILE A 55 6.636 3.143 -1.347 1.00 0.00 O ATOM 782 CB ILE A 55 7.543 5.211 0.999 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.574 4.082 0.820 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.293 5.444 2.491 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.756 4.313 1.766 1.00 0.00 C ATOM 0 H ILE A 55 5.936 2.781 0.971 1.00 0.00 H new ATOM 0 HA ILE A 55 5.551 5.659 0.277 1.00 0.00 H new ATOM 0 HB ILE A 55 7.924 6.125 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.112 3.117 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.922 4.053 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.226 5.734 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.557 6.238 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.918 4.527 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.486 3.513 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.224 5.271 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.401 4.320 2.797 1.00 0.00 H new ATOM 797 N LYS A 56 6.585 5.259 -2.004 1.00 0.00 N ATOM 798 CA LYS A 56 6.860 4.892 -3.430 1.00 0.00 C ATOM 799 C LYS A 56 8.043 3.917 -3.511 1.00 0.00 C ATOM 800 O LYS A 56 8.812 3.792 -2.577 1.00 0.00 O ATOM 801 CB LYS A 56 7.208 6.157 -4.225 1.00 0.00 C ATOM 802 CG LYS A 56 6.503 7.371 -3.609 1.00 0.00 C ATOM 803 CD LYS A 56 6.231 8.407 -4.704 1.00 0.00 C ATOM 804 CE LYS A 56 7.558 8.833 -5.337 1.00 0.00 C ATOM 805 NZ LYS A 56 7.351 10.001 -6.239 1.00 0.00 N ATOM 0 H LYS A 56 6.473 6.257 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 56 5.971 4.418 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.287 6.313 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.904 6.038 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.567 7.064 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.123 7.807 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.571 7.987 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.721 9.273 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.275 9.090 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.984 8.002 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.260 10.279 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.683 9.743 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.965 10.797 -5.693 1.00 0.00 H new ATOM 819 N PHE A 57 8.163 3.249 -4.627 1.00 0.00 N ATOM 820 CA PHE A 57 9.298 2.289 -4.793 1.00 0.00 C ATOM 821 C PHE A 57 10.629 3.051 -4.811 1.00 0.00 C ATOM 822 O PHE A 57 11.623 2.582 -4.297 1.00 0.00 O ATOM 823 CB PHE A 57 9.125 1.533 -6.109 1.00 0.00 C ATOM 824 CG PHE A 57 9.578 0.081 -5.929 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.902 -0.212 -5.651 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.669 -0.958 -6.041 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.309 -1.520 -5.490 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.080 -2.266 -5.879 1.00 0.00 C ATOM 829 CZ PHE A 57 10.400 -2.546 -5.603 1.00 0.00 C ATOM 0 H PHE A 57 7.532 3.323 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 57 9.303 1.586 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.082 1.563 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.709 2.012 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.621 0.589 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.633 -0.744 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.344 -1.739 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.365 -3.071 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.721 -3.569 -5.476 1.00 0.00 H new ATOM 839 N GLU A 58 10.615 4.213 -5.407 1.00 0.00 N ATOM 840 CA GLU A 58 11.869 5.021 -5.472 1.00 0.00 C ATOM 841 C GLU A 58 12.169 5.647 -4.104 1.00 0.00 C ATOM 842 O GLU A 58 13.287 6.034 -3.829 1.00 0.00 O ATOM 843 CB GLU A 58 11.698 6.128 -6.511 1.00 0.00 C ATOM 844 CG GLU A 58 12.928 6.161 -7.418 1.00 0.00 C ATOM 845 CD GLU A 58 12.778 7.295 -8.433 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.867 8.081 -8.234 1.00 0.00 O ATOM 847 OE2 GLU A 58 13.584 7.312 -9.349 1.00 0.00 O ATOM 0 H GLU A 58 9.798 4.636 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 58 12.699 4.372 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.800 5.952 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.570 7.091 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.829 6.307 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.039 5.208 -7.935 1.00 0.00 H new ATOM 854 N ASP A 59 11.163 5.731 -3.278 1.00 0.00 N ATOM 855 CA ASP A 59 11.374 6.329 -1.925 1.00 0.00 C ATOM 856 C ASP A 59 12.109 5.336 -1.022 1.00 0.00 C ATOM 857 O ASP A 59 12.200 5.529 0.175 1.00 0.00 O ATOM 858 CB ASP A 59 10.016 6.668 -1.312 1.00 0.00 C ATOM 859 CG ASP A 59 9.560 8.039 -1.814 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.890 8.336 -2.951 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.905 8.712 -1.034 1.00 0.00 O ATOM 0 H ASP A 59 10.213 5.416 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 59 11.975 7.234 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.283 5.908 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.086 6.672 -0.224 1.00 0.00 H new ATOM 866 N CYS A 60 12.619 4.295 -1.617 1.00 0.00 N ATOM 867 CA CYS A 60 13.350 3.274 -0.810 1.00 0.00 C ATOM 868 C CYS A 60 14.721 3.832 -0.362 1.00 0.00 C ATOM 869 O CYS A 60 15.241 4.747 -0.971 1.00 0.00 O ATOM 870 CB CYS A 60 13.559 2.037 -1.680 1.00 0.00 C ATOM 871 SG CYS A 60 12.372 0.690 -1.490 1.00 0.00 S ATOM 0 H CYS A 60 12.564 4.106 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 60 12.772 3.020 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.550 2.352 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.554 1.643 -1.475 1.00 0.00 H new ATOM 876 N PRO A 61 15.286 3.268 0.702 1.00 0.00 N ATOM 877 CA PRO A 61 16.594 3.717 1.203 1.00 0.00 C ATOM 878 C PRO A 61 17.655 3.651 0.097 1.00 0.00 C ATOM 879 O PRO A 61 17.425 3.086 -0.954 1.00 0.00 O ATOM 880 CB PRO A 61 16.947 2.751 2.340 1.00 0.00 C ATOM 881 CG PRO A 61 15.766 1.742 2.478 1.00 0.00 C ATOM 882 CD PRO A 61 14.683 2.160 1.468 1.00 0.00 C ATOM 0 HA PRO A 61 16.559 4.752 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.877 2.226 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.098 3.295 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.105 0.725 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.369 1.753 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.410 1.331 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.772 2.480 1.975 1.00 0.00 H new ATOM 890 N LYS A 62 18.794 4.229 0.359 1.00 0.00 N ATOM 891 CA LYS A 62 19.881 4.208 -0.665 1.00 0.00 C ATOM 892 C LYS A 62 20.741 2.952 -0.497 1.00 0.00 C ATOM 893 O LYS A 62 20.544 2.050 -1.294 1.00 0.00 O ATOM 894 CB LYS A 62 20.754 5.450 -0.493 1.00 0.00 C ATOM 895 CG LYS A 62 19.862 6.694 -0.491 1.00 0.00 C ATOM 896 CD LYS A 62 19.804 7.275 0.926 1.00 0.00 C ATOM 897 CE LYS A 62 21.144 7.943 1.250 1.00 0.00 C ATOM 898 NZ LYS A 62 21.617 7.531 2.602 1.00 0.00 N ATOM 899 OXT LYS A 62 21.548 2.966 0.419 1.00 0.00 O ATOM 0 H LYS A 62 19.020 4.711 1.229 1.00 0.00 H new ATOM 0 HA LYS A 62 19.437 4.200 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.315 5.389 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.483 5.512 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.254 7.437 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.859 6.437 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.994 8.001 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.593 6.486 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.885 7.669 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.036 9.027 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 22.526 7.992 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.916 7.814 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.739 6.498 2.627 1.00 0.00 H new TER 913 LYS A 62