USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0305) USER MOD Single : A 13 SER OG : rot -82:sc= -0.0321 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= -0.112 (180deg=-0.961) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.669 -0.065 -0.269 1.00 0.00 N ATOM 2 CA GLY A 1 2.237 0.195 -1.579 1.00 0.00 C ATOM 3 C GLY A 1 3.554 0.941 -1.502 1.00 0.00 C ATOM 4 O GLY A 1 3.687 2.038 -2.044 1.00 0.00 O ATOM 0 H1 GLY A 1 0.770 -0.577 -0.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.331 -0.641 0.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.498 0.837 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.388 -0.750 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.528 0.775 -2.170 1.00 0.00 H new ATOM 8 N CYS A 2 4.531 0.345 -0.826 1.00 0.00 N ATOM 9 CA CYS A 2 5.844 0.960 -0.677 1.00 0.00 C ATOM 10 C CYS A 2 6.952 -0.043 -0.985 1.00 0.00 C ATOM 11 O CYS A 2 6.739 -1.254 -0.931 1.00 0.00 O ATOM 12 CB CYS A 2 6.016 1.509 0.740 1.00 0.00 C ATOM 13 SG CYS A 2 5.839 0.254 2.049 1.00 0.00 S ATOM 0 H CYS A 2 4.438 -0.564 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 2 5.915 1.783 -1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.001 1.969 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.281 2.297 0.905 1.00 0.00 H new ATOM 18 N ILE A 3 8.135 0.471 -1.306 1.00 0.00 N ATOM 19 CA ILE A 3 9.276 -0.379 -1.620 1.00 0.00 C ATOM 20 C ILE A 3 10.081 -0.705 -0.367 1.00 0.00 C ATOM 21 O ILE A 3 10.566 0.192 0.322 1.00 0.00 O ATOM 22 CB ILE A 3 10.205 0.284 -2.655 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.423 0.637 -3.922 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.372 -0.634 -2.985 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.654 2.054 -4.399 1.00 0.00 C ATOM 0 H ILE A 3 8.328 1.471 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 3 8.875 -1.301 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 3 10.602 1.204 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.702 -0.055 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.359 0.494 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.019 -0.151 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.941 -0.840 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.994 -1.570 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.069 2.234 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.348 2.754 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.712 2.196 -4.619 1.00 0.00 H new ATOM 37 N ALA A 4 10.219 -1.995 -0.077 1.00 0.00 N ATOM 38 CA ALA A 4 10.968 -2.439 1.091 1.00 0.00 C ATOM 39 C ALA A 4 12.470 -2.394 0.831 1.00 0.00 C ATOM 40 O ALA A 4 12.909 -2.232 -0.309 1.00 0.00 O ATOM 41 CB ALA A 4 10.542 -3.845 1.488 1.00 0.00 C ATOM 0 H ALA A 4 9.822 -2.750 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 4 10.747 -1.758 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.110 -4.164 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.478 -3.850 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.733 -4.530 0.662 1.00 0.00 H new ATOM 47 N LYS A 5 13.255 -2.536 1.893 1.00 0.00 N ATOM 48 CA LYS A 5 14.708 -2.512 1.780 1.00 0.00 C ATOM 49 C LYS A 5 15.229 -3.813 1.178 1.00 0.00 C ATOM 50 O LYS A 5 15.899 -4.595 1.851 1.00 0.00 O ATOM 51 CB LYS A 5 15.344 -2.284 3.154 1.00 0.00 C ATOM 52 CG LYS A 5 14.854 -3.250 4.219 1.00 0.00 C ATOM 53 CD LYS A 5 13.911 -2.570 5.197 1.00 0.00 C ATOM 54 CE LYS A 5 13.228 -3.580 6.106 1.00 0.00 C ATOM 55 NZ LYS A 5 13.961 -3.754 7.391 1.00 0.00 N ATOM 0 H LYS A 5 12.909 -2.669 2.843 1.00 0.00 H new ATOM 0 HA LYS A 5 14.982 -1.690 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.426 -2.375 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.135 -1.264 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.345 -4.089 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.707 -3.660 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.467 -1.853 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.158 -2.007 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.208 -3.253 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.158 -4.540 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.464 -4.450 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.926 -4.090 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.006 -2.843 7.891 1.00 0.00 H new ATOM 69 N ASN A 6 14.917 -4.038 -0.094 1.00 0.00 N ATOM 70 CA ASN A 6 15.354 -5.244 -0.787 1.00 0.00 C ATOM 71 C ASN A 6 14.806 -5.283 -2.211 1.00 0.00 C ATOM 72 O ASN A 6 15.400 -5.894 -3.100 1.00 0.00 O ATOM 73 CB ASN A 6 14.903 -6.489 -0.021 1.00 0.00 C ATOM 74 CG ASN A 6 14.937 -7.740 -0.879 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.899 -7.978 -1.610 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.885 -8.545 -0.793 1.00 0.00 N ATOM 0 H ASN A 6 14.363 -3.401 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 6 16.443 -5.230 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.546 -6.630 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.891 -6.335 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.851 -9.401 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.110 -8.307 -0.174 1.00 0.00 H new ATOM 83 N LYS A 7 13.670 -4.626 -2.420 1.00 0.00 N ATOM 84 CA LYS A 7 13.042 -4.582 -3.735 1.00 0.00 C ATOM 85 C LYS A 7 13.614 -3.444 -4.574 1.00 0.00 C ATOM 86 O LYS A 7 13.994 -2.401 -4.043 1.00 0.00 O ATOM 87 CB LYS A 7 11.527 -4.415 -3.593 1.00 0.00 C ATOM 88 CG LYS A 7 10.867 -5.514 -2.780 1.00 0.00 C ATOM 89 CD LYS A 7 9.793 -6.231 -3.581 1.00 0.00 C ATOM 90 CE LYS A 7 9.186 -7.383 -2.794 1.00 0.00 C ATOM 91 NZ LYS A 7 10.125 -8.533 -2.681 1.00 0.00 N ATOM 0 H LYS A 7 13.165 -4.116 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 7 13.252 -5.524 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.318 -3.453 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.078 -4.390 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.621 -6.232 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.426 -5.087 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.010 -5.524 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.221 -6.609 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.913 -7.038 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.267 -7.711 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.635 -9.339 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.458 -8.803 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.938 -8.261 -2.092 1.00 0.00 H new ATOM 105 N GLU A 8 13.671 -3.652 -5.885 1.00 0.00 N ATOM 106 CA GLU A 8 14.196 -2.642 -6.796 1.00 0.00 C ATOM 107 C GLU A 8 13.483 -1.308 -6.599 1.00 0.00 C ATOM 108 O GLU A 8 12.323 -1.266 -6.187 1.00 0.00 O ATOM 109 CB GLU A 8 14.045 -3.104 -8.247 1.00 0.00 C ATOM 110 CG GLU A 8 12.656 -2.872 -8.818 1.00 0.00 C ATOM 111 CD GLU A 8 12.501 -3.431 -10.219 1.00 0.00 C ATOM 112 OE1 GLU A 8 12.998 -4.548 -10.472 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.881 -2.750 -11.063 1.00 0.00 O ATOM 0 H GLU A 8 13.360 -4.510 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 8 15.254 -2.505 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.775 -2.580 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.281 -4.166 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.916 -3.333 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.447 -1.802 -8.832 1.00 0.00 H new ATOM 120 N CYS A 9 14.185 -0.219 -6.895 1.00 0.00 N ATOM 121 CA CYS A 9 13.621 1.118 -6.750 1.00 0.00 C ATOM 122 C CYS A 9 14.247 2.084 -7.752 1.00 0.00 C ATOM 123 O CYS A 9 15.429 2.414 -7.656 1.00 0.00 O ATOM 124 CB CYS A 9 13.837 1.633 -5.325 1.00 0.00 C ATOM 125 SG CYS A 9 13.017 3.222 -4.977 1.00 0.00 S ATOM 0 H CYS A 9 15.146 -0.236 -7.237 1.00 0.00 H new ATOM 0 HA CYS A 9 12.551 1.058 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.472 0.886 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.907 1.742 -5.148 1.00 0.00 H new ATOM 130 N ALA A 10 13.446 2.533 -8.712 1.00 0.00 N ATOM 131 CA ALA A 10 13.920 3.463 -9.730 1.00 0.00 C ATOM 132 C ALA A 10 13.800 4.906 -9.253 1.00 0.00 C ATOM 133 O ALA A 10 12.907 5.241 -8.475 1.00 0.00 O ATOM 134 CB ALA A 10 13.146 3.266 -11.025 1.00 0.00 C ATOM 0 H ALA A 10 12.466 2.268 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 10 14.974 3.256 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.510 3.967 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.287 2.246 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.086 3.444 -10.846 1.00 0.00 H new ATOM 140 N TRP A 11 14.705 5.756 -9.725 1.00 0.00 N ATOM 141 CA TRP A 11 14.700 7.165 -9.345 1.00 0.00 C ATOM 142 C TRP A 11 13.448 7.864 -9.864 1.00 0.00 C ATOM 143 O TRP A 11 13.130 8.978 -9.447 1.00 0.00 O ATOM 144 CB TRP A 11 15.950 7.863 -9.885 1.00 0.00 C ATOM 145 CG TRP A 11 17.126 7.773 -8.960 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.260 6.944 -7.883 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.333 8.540 -9.032 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.478 7.151 -7.280 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.155 8.124 -7.966 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.800 9.537 -9.893 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.415 8.672 -7.740 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.050 10.080 -9.667 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.846 9.646 -8.599 1.00 0.00 C ATOM 0 H TRP A 11 15.451 5.495 -10.370 1.00 0.00 H new ATOM 0 HA TRP A 11 14.701 7.223 -8.257 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.217 7.422 -10.845 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.721 8.913 -10.069 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.519 6.231 -7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.822 6.659 -6.455 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.194 9.877 -10.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 21.030 8.340 -6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.420 10.852 -10.325 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.820 10.089 -8.451 1.00 0.00 H new ATOM 164 N PHE A 12 12.741 7.204 -10.774 1.00 0.00 N ATOM 165 CA PHE A 12 11.523 7.763 -11.350 1.00 0.00 C ATOM 166 C PHE A 12 10.412 6.718 -11.393 1.00 0.00 C ATOM 167 O PHE A 12 9.464 6.836 -12.169 1.00 0.00 O ATOM 168 CB PHE A 12 11.796 8.292 -12.760 1.00 0.00 C ATOM 169 CG PHE A 12 10.958 9.482 -13.126 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.269 10.742 -12.640 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.857 9.342 -13.957 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.499 11.840 -12.976 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.084 10.436 -14.296 1.00 0.00 C ATOM 174 CZ PHE A 12 9.405 11.686 -13.804 1.00 0.00 C ATOM 0 H PHE A 12 12.990 6.281 -11.129 1.00 0.00 H new ATOM 0 HA PHE A 12 11.197 8.588 -10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.849 8.561 -12.841 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.614 7.494 -13.480 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.123 10.868 -11.991 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.601 8.367 -14.344 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.753 12.817 -12.591 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.230 10.314 -14.945 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.801 12.542 -14.067 1.00 0.00 H new ATOM 184 N SER A 13 10.537 5.695 -10.553 1.00 0.00 N ATOM 185 CA SER A 13 9.547 4.626 -10.498 1.00 0.00 C ATOM 186 C SER A 13 8.166 5.182 -10.162 1.00 0.00 C ATOM 187 O SER A 13 7.146 4.554 -10.442 1.00 0.00 O ATOM 188 CB SER A 13 9.953 3.579 -9.460 1.00 0.00 C ATOM 189 OG SER A 13 10.110 4.164 -8.179 1.00 0.00 O ATOM 0 H SER A 13 11.314 5.584 -9.902 1.00 0.00 H new ATOM 0 HA SER A 13 9.502 4.155 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.197 2.795 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.886 3.105 -9.763 1.00 0.00 H new ATOM 0 HG SER A 13 10.999 4.570 -8.112 1.00 0.00 H new ATOM 195 N GLY A 14 8.143 6.367 -9.559 1.00 0.00 N ATOM 196 CA GLY A 14 6.883 6.989 -9.194 1.00 0.00 C ATOM 197 C GLY A 14 6.443 6.626 -7.790 1.00 0.00 C ATOM 198 O GLY A 14 5.639 7.333 -7.183 1.00 0.00 O ATOM 0 H GLY A 14 8.974 6.907 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.980 8.072 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.113 6.685 -9.903 1.00 0.00 H new ATOM 202 N GLU A 15 6.968 5.520 -7.274 1.00 0.00 N ATOM 203 CA GLU A 15 6.622 5.063 -5.933 1.00 0.00 C ATOM 204 C GLU A 15 7.705 5.449 -4.930 1.00 0.00 C ATOM 205 O GLU A 15 8.713 6.056 -5.292 1.00 0.00 O ATOM 206 CB GLU A 15 6.418 3.547 -5.923 1.00 0.00 C ATOM 207 CG GLU A 15 7.481 2.785 -6.698 1.00 0.00 C ATOM 208 CD GLU A 15 7.011 2.370 -8.078 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.087 3.019 -8.611 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.568 1.396 -8.626 1.00 0.00 O ATOM 0 H GLU A 15 7.635 4.923 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 15 5.691 5.549 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.411 3.196 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.439 3.318 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.371 3.406 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.770 1.898 -6.135 1.00 0.00 H new ATOM 217 N TRP A 16 7.489 5.093 -3.669 1.00 0.00 N ATOM 218 CA TRP A 16 8.446 5.402 -2.613 1.00 0.00 C ATOM 219 C TRP A 16 8.690 4.186 -1.726 1.00 0.00 C ATOM 220 O TRP A 16 7.868 3.270 -1.671 1.00 0.00 O ATOM 221 CB TRP A 16 7.943 6.573 -1.767 1.00 0.00 C ATOM 222 CG TRP A 16 7.288 7.651 -2.576 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.803 8.280 -3.673 1.00 0.00 C ATOM 224 CD2 TRP A 16 5.998 8.229 -2.349 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.911 9.214 -4.142 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.795 9.201 -3.347 1.00 0.00 C ATOM 227 CE3 TRP A 16 4.994 8.018 -1.400 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.630 9.960 -3.422 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.838 8.772 -1.475 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.663 9.732 -2.480 1.00 0.00 C ATOM 0 H TRP A 16 6.660 4.590 -3.353 1.00 0.00 H new ATOM 0 HA TRP A 16 9.389 5.681 -3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.233 6.200 -1.029 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.781 7.000 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.770 8.074 -4.108 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.056 9.819 -4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.119 7.279 -0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.494 10.702 -4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.056 8.618 -0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.747 10.304 -2.512 1.00 0.00 H new ATOM 241 N CYS A 17 9.824 4.182 -1.033 1.00 0.00 N ATOM 242 CA CYS A 17 10.176 3.078 -0.149 1.00 0.00 C ATOM 243 C CYS A 17 9.395 3.158 1.160 1.00 0.00 C ATOM 244 O CYS A 17 8.831 4.200 1.496 1.00 0.00 O ATOM 245 CB CYS A 17 11.678 3.087 0.140 1.00 0.00 C ATOM 246 SG CYS A 17 12.716 3.364 -1.331 1.00 0.00 S ATOM 0 H CYS A 17 10.515 4.932 -1.067 1.00 0.00 H new ATOM 0 HA CYS A 17 9.915 2.147 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.891 3.864 0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.956 2.136 0.594 1.00 0.00 H new ATOM 251 N CYS A 18 9.366 2.052 1.895 1.00 0.00 N ATOM 252 CA CYS A 18 8.655 1.995 3.166 1.00 0.00 C ATOM 253 C CYS A 18 9.395 2.790 4.238 1.00 0.00 C ATOM 254 O CYS A 18 10.552 3.166 4.060 1.00 0.00 O ATOM 255 CB CYS A 18 8.488 0.543 3.617 1.00 0.00 C ATOM 256 SG CYS A 18 7.707 -0.536 2.374 1.00 0.00 S ATOM 0 H CYS A 18 9.828 1.181 1.632 1.00 0.00 H new ATOM 0 HA CYS A 18 7.670 2.439 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.467 0.138 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.889 0.523 4.528 1.00 0.00 H new ATOM 261 N GLY A 19 8.716 3.043 5.354 1.00 0.00 N ATOM 262 CA GLY A 19 9.324 3.791 6.439 1.00 0.00 C ATOM 263 C GLY A 19 9.884 5.123 5.982 1.00 0.00 C ATOM 264 O GLY A 19 9.132 6.055 5.695 1.00 0.00 O ATOM 0 H GLY A 19 7.756 2.743 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.582 3.961 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.123 3.197 6.882 1.00 0.00 H new ATOM 268 N ALA A 20 11.208 5.215 5.914 1.00 0.00 N ATOM 269 CA ALA A 20 11.868 6.443 5.489 1.00 0.00 C ATOM 270 C ALA A 20 13.200 6.144 4.810 1.00 0.00 C ATOM 271 O ALA A 20 14.164 6.897 4.952 1.00 0.00 O ATOM 272 CB ALA A 20 12.076 7.370 6.677 1.00 0.00 C ATOM 0 H ALA A 20 11.845 4.453 6.148 1.00 0.00 H new ATOM 0 HA ALA A 20 11.223 6.939 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.570 8.283 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.111 7.620 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.697 6.873 7.422 1.00 0.00 H new ATOM 278 N LEU A 21 13.248 5.039 4.073 1.00 0.00 N ATOM 279 CA LEU A 21 14.463 4.640 3.372 1.00 0.00 C ATOM 280 C LEU A 21 14.472 5.181 1.946 1.00 0.00 C ATOM 281 O LEU A 21 13.421 5.468 1.373 1.00 0.00 O ATOM 282 CB LEU A 21 14.585 3.115 3.352 1.00 0.00 C ATOM 283 CG LEU A 21 14.287 2.400 4.670 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.842 0.969 4.412 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.507 2.426 5.579 1.00 0.00 C ATOM 0 H LEU A 21 12.460 4.404 3.946 1.00 0.00 H new ATOM 0 HA LEU A 21 15.316 5.060 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.909 2.727 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.597 2.856 3.042 1.00 0.00 H new ATOM 0 HG LEU A 21 13.475 2.926 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.634 0.476 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.940 0.973 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.632 0.431 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.276 1.913 6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.339 1.925 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.780 3.460 5.791 1.00 0.00 H new ATOM 297 N SER A 22 15.666 5.315 1.376 1.00 0.00 N ATOM 298 CA SER A 22 15.812 5.823 0.017 1.00 0.00 C ATOM 299 C SER A 22 16.275 4.719 -0.928 1.00 0.00 C ATOM 300 O SER A 22 16.574 3.603 -0.500 1.00 0.00 O ATOM 301 CB SER A 22 16.806 6.985 -0.011 1.00 0.00 C ATOM 302 OG SER A 22 16.804 7.688 1.219 1.00 0.00 O ATOM 0 H SER A 22 16.546 5.079 1.835 1.00 0.00 H new ATOM 0 HA SER A 22 14.838 6.180 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.807 6.606 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.551 7.666 -0.823 1.00 0.00 H new ATOM 0 HG SER A 22 17.449 8.425 1.176 1.00 0.00 H new ATOM 308 N CYS A 23 16.332 5.038 -2.217 1.00 0.00 N ATOM 309 CA CYS A 23 16.758 4.075 -3.225 1.00 0.00 C ATOM 310 C CYS A 23 18.252 4.205 -3.505 1.00 0.00 C ATOM 311 O CYS A 23 18.698 5.174 -4.121 1.00 0.00 O ATOM 312 CB CYS A 23 15.966 4.276 -4.519 1.00 0.00 C ATOM 313 SG CYS A 23 14.185 4.561 -4.264 1.00 0.00 S ATOM 0 H CYS A 23 16.088 5.956 -2.588 1.00 0.00 H new ATOM 0 HA CYS A 23 16.564 3.074 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.385 5.124 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.096 3.398 -5.152 1.00 0.00 H new ATOM 318 N LYS A 24 19.022 3.223 -3.048 1.00 0.00 N ATOM 319 CA LYS A 24 20.466 3.226 -3.250 1.00 0.00 C ATOM 320 C LYS A 24 20.900 2.031 -4.093 1.00 0.00 C ATOM 321 O LYS A 24 20.158 1.058 -4.236 1.00 0.00 O ATOM 322 CB LYS A 24 21.190 3.201 -1.902 1.00 0.00 C ATOM 323 CG LYS A 24 20.467 3.971 -0.809 1.00 0.00 C ATOM 324 CD LYS A 24 19.544 3.067 -0.009 1.00 0.00 C ATOM 325 CE LYS A 24 18.931 3.803 1.173 1.00 0.00 C ATOM 326 NZ LYS A 24 19.880 3.906 2.316 1.00 0.00 N ATOM 0 H LYS A 24 18.670 2.415 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 24 20.731 4.140 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.314 2.166 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.189 3.617 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.197 4.430 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.889 4.781 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.751 2.691 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.101 2.201 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.629 4.803 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.029 3.283 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.503 3.378 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.800 3.507 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.001 4.905 2.578 1.00 0.00 H new ATOM 340 N TYR A 25 22.104 2.110 -4.647 1.00 0.00 N ATOM 341 CA TYR A 25 22.636 1.035 -5.477 1.00 0.00 C ATOM 342 C TYR A 25 23.200 -0.090 -4.615 1.00 0.00 C ATOM 343 O TYR A 25 24.006 0.147 -3.715 1.00 0.00 O ATOM 344 CB TYR A 25 23.722 1.572 -6.410 1.00 0.00 C ATOM 345 CG TYR A 25 24.368 0.505 -7.265 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.475 -0.200 -6.811 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.870 0.202 -8.526 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.069 -1.175 -7.590 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.456 -0.772 -9.311 1.00 0.00 C ATOM 350 CZ TYR A 25 25.556 -1.458 -8.838 1.00 0.00 C ATOM 351 OH TYR A 25 26.143 -2.429 -9.616 1.00 0.00 O ATOM 0 H TYR A 25 22.731 2.907 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 25 21.818 0.634 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.288 2.332 -7.059 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.491 2.063 -5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.878 0.017 -5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.009 0.737 -8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.931 -1.713 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.056 -0.995 -10.289 1.00 0.00 H new ATOM 0 HH TYR A 25 25.659 -2.505 -10.465 1.00 0.00 H new ATOM 361 N SER A 26 22.772 -1.316 -4.898 1.00 0.00 N ATOM 362 CA SER A 26 23.232 -2.479 -4.148 1.00 0.00 C ATOM 363 C SER A 26 24.196 -3.317 -4.982 1.00 0.00 C ATOM 364 O SER A 26 23.777 -4.157 -5.778 1.00 0.00 O ATOM 365 CB SER A 26 22.041 -3.335 -3.713 1.00 0.00 C ATOM 366 OG SER A 26 21.562 -2.933 -2.441 1.00 0.00 O ATOM 0 H SER A 26 22.107 -1.530 -5.641 1.00 0.00 H new ATOM 0 HA SER A 26 23.759 -2.124 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.241 -3.252 -4.449 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.336 -4.384 -3.679 1.00 0.00 H new ATOM 0 HG SER A 26 21.175 -3.705 -1.978 1.00 0.00 H new ATOM 372 N ILE A 27 25.490 -3.081 -4.793 1.00 0.00 N ATOM 373 CA ILE A 27 26.515 -3.814 -5.526 1.00 0.00 C ATOM 374 C ILE A 27 26.300 -5.319 -5.414 1.00 0.00 C ATOM 375 O ILE A 27 26.341 -6.040 -6.412 1.00 0.00 O ATOM 376 CB ILE A 27 27.927 -3.468 -5.017 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.065 -1.958 -4.816 1.00 0.00 C ATOM 378 CG2 ILE A 27 28.980 -3.977 -5.990 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.022 -1.535 -3.365 1.00 0.00 C ATOM 0 H ILE A 27 25.853 -2.388 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 27 26.431 -3.515 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 27 28.081 -3.959 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.006 -1.626 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.265 -1.453 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.973 -3.725 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.893 -5.059 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.830 -3.512 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.126 -0.452 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.071 -1.836 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.839 -2.012 -2.823 1.00 0.00 H new ATOM 391 N LYS A 28 26.070 -5.789 -4.192 1.00 0.00 N ATOM 392 CA LYS A 28 25.846 -7.209 -3.948 1.00 0.00 C ATOM 393 C LYS A 28 24.692 -7.731 -4.798 1.00 0.00 C ATOM 394 O LYS A 28 24.730 -8.861 -5.286 1.00 0.00 O ATOM 395 CB LYS A 28 25.552 -7.452 -2.466 1.00 0.00 C ATOM 396 CG LYS A 28 24.501 -6.517 -1.893 1.00 0.00 C ATOM 397 CD LYS A 28 23.315 -7.286 -1.335 1.00 0.00 C ATOM 398 CE LYS A 28 23.498 -7.597 0.143 1.00 0.00 C ATOM 399 NZ LYS A 28 23.407 -9.058 0.417 1.00 0.00 N ATOM 0 H LYS A 28 26.034 -5.207 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 28 26.752 -7.748 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.221 -8.482 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.475 -7.339 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.945 -5.909 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.159 -5.833 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.404 -6.704 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.189 -8.215 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.467 -7.225 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.739 -7.071 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.537 -9.229 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.473 -9.409 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.148 -9.558 -0.115 1.00 0.00 H new ATOM 413 N ARG A 29 23.669 -6.902 -4.973 1.00 0.00 N ATOM 414 CA ARG A 29 22.504 -7.280 -5.765 1.00 0.00 C ATOM 415 C ARG A 29 22.662 -6.828 -7.214 1.00 0.00 C ATOM 416 O ARG A 29 21.748 -6.978 -8.023 1.00 0.00 O ATOM 417 CB ARG A 29 21.234 -6.674 -5.165 1.00 0.00 C ATOM 418 CG ARG A 29 20.980 -7.094 -3.727 1.00 0.00 C ATOM 419 CD ARG A 29 19.653 -7.825 -3.586 1.00 0.00 C ATOM 420 NE ARG A 29 19.621 -9.055 -4.372 1.00 0.00 N ATOM 421 CZ ARG A 29 20.296 -10.152 -4.048 1.00 0.00 C ATOM 422 NH1 ARG A 29 21.052 -10.172 -2.959 1.00 0.00 N ATOM 423 NH2 ARG A 29 20.215 -11.233 -4.814 1.00 0.00 N ATOM 0 H ARG A 29 23.623 -5.963 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 29 22.422 -8.367 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.304 -5.587 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.379 -6.964 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.790 -7.739 -3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.982 -6.214 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.479 -8.061 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.842 -7.170 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 29 19.049 -9.073 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.116 -9.343 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.569 -11.016 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.634 -11.222 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.734 -12.075 -4.564 1.00 0.00 H new ATOM 437 N ASN A 30 23.827 -6.274 -7.532 1.00 0.00 N ATOM 438 CA ASN A 30 24.104 -5.799 -8.883 1.00 0.00 C ATOM 439 C ASN A 30 22.902 -5.054 -9.454 1.00 0.00 C ATOM 440 O ASN A 30 22.636 -5.110 -10.656 1.00 0.00 O ATOM 441 CB ASN A 30 24.471 -6.973 -9.793 1.00 0.00 C ATOM 442 CG ASN A 30 23.334 -7.965 -9.944 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.155 -8.852 -9.111 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.559 -7.818 -11.013 1.00 0.00 N ATOM 0 H ASN A 30 24.594 -6.143 -6.873 1.00 0.00 H new ATOM 0 HA ASN A 30 24.947 -5.109 -8.834 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.751 -6.594 -10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.344 -7.484 -9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.778 -8.456 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.745 -7.067 -11.678 1.00 0.00 H new ATOM 451 N LEU A 31 22.178 -4.355 -8.586 1.00 0.00 N ATOM 452 CA LEU A 31 21.004 -3.598 -9.004 1.00 0.00 C ATOM 453 C LEU A 31 20.760 -2.414 -8.073 1.00 0.00 C ATOM 454 O LEU A 31 21.600 -2.086 -7.235 1.00 0.00 O ATOM 455 CB LEU A 31 19.771 -4.503 -9.029 1.00 0.00 C ATOM 456 CG LEU A 31 19.812 -5.665 -10.022 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.693 -6.653 -9.733 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.716 -5.150 -11.450 1.00 0.00 C ATOM 0 H LEU A 31 22.384 -4.297 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 31 21.187 -3.216 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.624 -4.911 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.899 -3.889 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 31 20.764 -6.183 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.738 -7.473 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.807 -7.047 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.731 -6.148 -9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.747 -5.991 -12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.779 -4.608 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.553 -4.482 -11.653 1.00 0.00 H new ATOM 470 N LYS A 32 19.605 -1.776 -8.225 1.00 0.00 N ATOM 471 CA LYS A 32 19.248 -0.630 -7.397 1.00 0.00 C ATOM 472 C LYS A 32 18.000 -0.925 -6.570 1.00 0.00 C ATOM 473 O LYS A 32 16.905 -1.071 -7.112 1.00 0.00 O ATOM 474 CB LYS A 32 19.013 0.604 -8.271 1.00 0.00 C ATOM 475 CG LYS A 32 20.278 1.138 -8.921 1.00 0.00 C ATOM 476 CD LYS A 32 20.515 0.507 -10.282 1.00 0.00 C ATOM 477 CE LYS A 32 19.573 1.076 -11.332 1.00 0.00 C ATOM 478 NZ LYS A 32 18.969 0.005 -12.174 1.00 0.00 N ATOM 0 H LYS A 32 18.899 -2.033 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 32 20.076 -0.433 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.291 0.356 -9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.567 1.391 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.204 2.220 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.132 0.940 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.547 0.676 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.376 -0.572 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.781 1.642 -10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.117 1.774 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.334 0.433 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.723 -0.519 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.429 -0.647 -11.571 1.00 0.00 H new ATOM 492 N ILE A 33 18.174 -1.010 -5.255 1.00 0.00 N ATOM 493 CA ILE A 33 17.062 -1.284 -4.354 1.00 0.00 C ATOM 494 C ILE A 33 17.073 -0.334 -3.162 1.00 0.00 C ATOM 495 O ILE A 33 18.022 0.428 -2.970 1.00 0.00 O ATOM 496 CB ILE A 33 17.098 -2.735 -3.840 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.130 -2.877 -2.719 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.412 -3.693 -4.980 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.385 -4.310 -2.309 1.00 0.00 C ATOM 0 H ILE A 33 19.074 -0.893 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 33 16.147 -1.133 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 33 16.116 -2.987 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.069 -2.428 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.790 -2.314 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.434 -4.715 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.644 -3.608 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.383 -3.444 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.127 -4.334 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.456 -4.758 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.756 -4.873 -3.166 1.00 0.00 H new ATOM 511 N CYS A 34 16.014 -0.385 -2.361 1.00 0.00 N ATOM 512 CA CYS A 34 15.901 0.470 -1.185 1.00 0.00 C ATOM 513 C CYS A 34 16.633 -0.144 0.005 1.00 0.00 C ATOM 514 O CYS A 34 16.904 -1.345 0.029 1.00 0.00 O ATOM 515 CB CYS A 34 14.430 0.696 -0.833 1.00 0.00 C ATOM 516 SG CYS A 34 13.545 1.783 -1.996 1.00 0.00 S ATOM 0 H CYS A 34 15.221 -1.010 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 34 16.363 1.430 -1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.924 -0.269 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.369 1.125 0.167 1.00 0.00 H new ATOM 521 N VAL A 35 16.948 0.689 0.992 1.00 0.00 N ATOM 522 CA VAL A 35 17.646 0.229 2.187 1.00 0.00 C ATOM 523 C VAL A 35 17.217 1.024 3.414 1.00 0.00 C ATOM 524 O VAL A 35 17.692 2.136 3.644 1.00 0.00 O ATOM 525 CB VAL A 35 19.174 0.343 2.023 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.887 -0.302 3.201 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.617 -0.287 0.711 1.00 0.00 C ATOM 0 H VAL A 35 16.731 1.686 0.988 1.00 0.00 H new ATOM 0 HA VAL A 35 17.380 -0.819 2.326 1.00 0.00 H new ATOM 0 HB VAL A 35 19.442 1.399 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.965 -0.212 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.592 0.199 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.615 -1.356 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.699 -0.198 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.337 -1.340 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.133 0.225 -0.120 1.00 0.00 H new TER 537 VAL A 35