USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 246 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 CYS SG : rot -67:sc= -25! USER MOD Set 1.2: A 35 CYS SG : rot -172:sc= -21.3! USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 140:sc= -1.18 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.31! C(o=-5.3!,f=-12!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.483 USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 0.120 -0.532 -2.196 1.00 64.42 N ATOM 9 CA CYS A 2 -0.049 -0.325 -3.629 1.00 53.12 C ATOM 10 C CYS A 2 -1.527 -0.338 -4.010 1.00 31.34 C ATOM 11 O CYS A 2 -2.052 -1.355 -4.464 1.00 71.13 O ATOM 12 CB CYS A 2 0.700 -1.403 -4.414 1.00 64.02 C ATOM 13 SG CYS A 2 0.411 -3.098 -3.812 1.00 54.14 S ATOM 0 HA CYS A 2 0.365 0.651 -3.880 1.00 53.12 H new ATOM 0 HB2 CYS A 2 0.404 -1.346 -5.462 1.00 64.02 H new ATOM 0 HB3 CYS A 2 1.768 -1.191 -4.372 1.00 64.02 H new ATOM 18 N ILE A 3 -2.191 0.797 -3.820 1.00 73.24 N ATOM 19 CA ILE A 3 -3.607 0.916 -4.145 1.00 33.03 C ATOM 20 C ILE A 3 -4.423 -0.171 -3.452 1.00 51.44 C ATOM 21 O ILE A 3 -3.869 -1.072 -2.823 1.00 22.35 O ATOM 22 CB ILE A 3 -3.846 0.832 -5.664 1.00 21.11 C ATOM 23 CG1 ILE A 3 -2.590 1.263 -6.424 1.00 41.00 C ATOM 24 CG2 ILE A 3 -5.035 1.694 -6.062 1.00 4.12 C ATOM 25 CD1 ILE A 3 -2.781 1.319 -7.924 1.00 4.14 C ATOM 0 H ILE A 3 -1.772 1.647 -3.443 1.00 73.24 H new ATOM 0 HA ILE A 3 -3.931 1.894 -3.789 1.00 33.03 H new ATOM 0 HB ILE A 3 -4.069 -0.202 -5.925 1.00 21.11 H new ATOM 0 HG12 ILE A 3 -2.279 2.245 -6.068 1.00 41.00 H new ATOM 0 HG13 ILE A 3 -1.780 0.570 -6.194 1.00 41.00 H new ATOM 0 HG21 ILE A 3 -5.191 1.624 -7.139 1.00 4.12 H new ATOM 0 HG22 ILE A 3 -5.927 1.345 -5.543 1.00 4.12 H new ATOM 0 HG23 ILE A 3 -4.839 2.731 -5.790 1.00 4.12 H new ATOM 0 HD11 ILE A 3 -1.850 1.632 -8.398 1.00 4.14 H new ATOM 0 HD12 ILE A 3 -3.062 0.332 -8.292 1.00 4.14 H new ATOM 0 HD13 ILE A 3 -3.568 2.034 -8.164 1.00 4.14 H new ATOM 37 N LEU A 4 -5.743 -0.080 -3.575 1.00 2.03 N ATOM 38 CA LEU A 4 -6.637 -1.057 -2.962 1.00 42.33 C ATOM 39 C LEU A 4 -7.816 -1.365 -3.879 1.00 71.40 C ATOM 40 O LEU A 4 -8.473 -0.458 -4.388 1.00 32.51 O ATOM 41 CB LEU A 4 -7.145 -0.538 -1.616 1.00 21.43 C ATOM 42 CG LEU A 4 -7.088 -1.528 -0.451 1.00 41.50 C ATOM 43 CD1 LEU A 4 -5.760 -1.414 0.282 1.00 51.54 C ATOM 44 CD2 LEU A 4 -8.248 -1.293 0.505 1.00 74.21 C ATOM 0 H LEU A 4 -6.218 0.659 -4.093 1.00 2.03 H new ATOM 0 HA LEU A 4 -6.075 -1.977 -2.801 1.00 42.33 H new ATOM 0 HB2 LEU A 4 -6.564 0.344 -1.346 1.00 21.43 H new ATOM 0 HB3 LEU A 4 -8.178 -0.213 -1.741 1.00 21.43 H new ATOM 0 HG LEU A 4 -7.172 -2.538 -0.853 1.00 41.50 H new ATOM 0 HD11 LEU A 4 -5.738 -2.126 1.107 1.00 51.54 H new ATOM 0 HD12 LEU A 4 -4.944 -1.632 -0.407 1.00 51.54 H new ATOM 0 HD13 LEU A 4 -5.645 -0.403 0.672 1.00 51.54 H new ATOM 0 HD21 LEU A 4 -8.192 -2.006 1.328 1.00 74.21 H new ATOM 0 HD22 LEU A 4 -8.194 -0.278 0.900 1.00 74.21 H new ATOM 0 HD23 LEU A 4 -9.190 -1.426 -0.027 1.00 74.21 H new ATOM 56 N ASN A 5 -8.079 -2.652 -4.083 1.00 73.12 N ATOM 57 CA ASN A 5 -9.181 -3.081 -4.937 1.00 41.34 C ATOM 58 C ASN A 5 -9.246 -4.603 -5.019 1.00 4.11 C ATOM 59 O ASN A 5 -9.613 -5.165 -6.050 1.00 1.31 O ATOM 60 CB ASN A 5 -9.026 -2.490 -6.340 1.00 42.21 C ATOM 61 CG ASN A 5 -10.307 -1.854 -6.844 1.00 42.34 C ATOM 62 OD1 ASN A 5 -11.351 -2.503 -6.911 1.00 42.30 O ATOM 63 ND2 ASN A 5 -10.232 -0.577 -7.203 1.00 30.22 N ATOM 0 H ASN A 5 -7.544 -3.416 -3.669 1.00 73.12 H new ATOM 0 HA ASN A 5 -10.110 -2.719 -4.497 1.00 41.34 H new ATOM 0 HB2 ASN A 5 -8.232 -1.743 -6.331 1.00 42.21 H new ATOM 0 HB3 ASN A 5 -8.717 -3.275 -7.030 1.00 42.21 H new ATOM 0 HD21 ASN A 5 -11.061 -0.096 -7.551 1.00 30.22 H new ATOM 0 HD22 ASN A 5 -9.345 -0.078 -7.131 1.00 30.22 H new ATOM 70 N GLY A 6 -8.886 -5.265 -3.923 1.00 51.21 N ATOM 71 CA GLY A 6 -8.911 -6.715 -3.891 1.00 63.42 C ATOM 72 C GLY A 6 -7.775 -7.297 -3.073 1.00 2.30 C ATOM 73 O GLY A 6 -6.722 -7.636 -3.613 1.00 40.14 O ATOM 0 H GLY A 6 -8.578 -4.822 -3.057 1.00 51.21 H new ATOM 0 HA2 GLY A 6 -9.862 -7.050 -3.476 1.00 63.42 H new ATOM 0 HA3 GLY A 6 -8.855 -7.099 -4.910 1.00 63.42 H new ATOM 77 N ARG A 7 -7.987 -7.411 -1.766 1.00 0.50 N ATOM 78 CA ARG A 7 -6.971 -7.952 -0.871 1.00 51.13 C ATOM 79 C ARG A 7 -5.747 -7.042 -0.824 1.00 52.23 C ATOM 80 O ARG A 7 -5.642 -6.168 0.037 1.00 1.11 O ATOM 81 CB ARG A 7 -6.560 -9.355 -1.322 1.00 4.22 C ATOM 82 CG ARG A 7 -7.260 -10.469 -0.561 1.00 5.34 C ATOM 83 CD ARG A 7 -8.681 -10.676 -1.059 1.00 13.24 C ATOM 84 NE ARG A 7 -9.628 -10.843 0.041 1.00 24.12 N ATOM 85 CZ ARG A 7 -10.909 -11.146 -0.132 1.00 33.32 C ATOM 86 NH1 ARG A 7 -11.395 -11.315 -1.354 1.00 0.21 N ATOM 87 NH2 ARG A 7 -11.708 -11.282 0.919 1.00 1.12 N ATOM 0 H ARG A 7 -8.853 -7.136 -1.303 1.00 0.50 H new ATOM 0 HA ARG A 7 -7.398 -8.009 0.130 1.00 51.13 H new ATOM 0 HB2 ARG A 7 -6.774 -9.463 -2.385 1.00 4.22 H new ATOM 0 HB3 ARG A 7 -5.482 -9.465 -1.201 1.00 4.22 H new ATOM 0 HG2 ARG A 7 -6.696 -11.396 -0.670 1.00 5.34 H new ATOM 0 HG3 ARG A 7 -7.277 -10.230 0.502 1.00 5.34 H new ATOM 0 HD2 ARG A 7 -8.980 -9.823 -1.668 1.00 13.24 H new ATOM 0 HD3 ARG A 7 -8.715 -11.555 -1.703 1.00 13.24 H new ATOM 0 HE ARG A 7 -9.286 -10.720 0.994 1.00 24.12 H new ATOM 0 HH11 ARG A 7 -10.784 -11.212 -2.164 1.00 0.21 H new ATOM 0 HH12 ARG A 7 -12.380 -11.548 -1.484 1.00 0.21 H new ATOM 0 HH21 ARG A 7 -11.338 -11.154 1.861 1.00 1.12 H new ATOM 0 HH22 ARG A 7 -12.692 -11.515 0.785 1.00 1.12 H new ATOM 101 N THR A 8 -4.823 -7.253 -1.756 1.00 41.23 N ATOM 102 CA THR A 8 -3.606 -6.454 -1.821 1.00 1.54 C ATOM 103 C THR A 8 -2.824 -6.537 -0.515 1.00 2.12 C ATOM 104 O THR A 8 -3.214 -5.946 0.492 1.00 1.04 O ATOM 105 CB THR A 8 -3.919 -4.976 -2.125 1.00 33.44 C ATOM 106 OG1 THR A 8 -5.302 -4.829 -2.466 1.00 71.20 O ATOM 107 CG2 THR A 8 -3.053 -4.463 -3.265 1.00 2.14 C ATOM 0 H THR A 8 -4.895 -7.971 -2.477 1.00 41.23 H new ATOM 0 HA THR A 8 -3.002 -6.864 -2.631 1.00 1.54 H new ATOM 0 HB THR A 8 -3.701 -4.390 -1.232 1.00 33.44 H new ATOM 0 HG1 THR A 8 -5.654 -4.011 -2.058 1.00 71.20 H new ATOM 0 HG21 THR A 8 -3.292 -3.418 -3.461 1.00 2.14 H new ATOM 0 HG22 THR A 8 -2.002 -4.550 -2.991 1.00 2.14 H new ATOM 0 HG23 THR A 8 -3.244 -5.053 -4.161 1.00 2.14 H new ATOM 115 N ASP A 9 -1.718 -7.273 -0.539 1.00 33.12 N ATOM 116 CA ASP A 9 -0.880 -7.432 0.644 1.00 63.24 C ATOM 117 C ASP A 9 -1.715 -7.848 1.850 1.00 31.53 C ATOM 118 O ASP A 9 -2.040 -7.026 2.708 1.00 45.12 O ATOM 119 CB ASP A 9 -0.137 -6.130 0.947 1.00 65.32 C ATOM 120 CG ASP A 9 1.098 -6.353 1.798 1.00 20.21 C ATOM 121 OD1 ASP A 9 1.327 -7.506 2.222 1.00 51.32 O ATOM 122 OD2 ASP A 9 1.836 -5.375 2.040 1.00 71.41 O ATOM 0 H ASP A 9 -1.381 -7.769 -1.364 1.00 33.12 H new ATOM 0 HA ASP A 9 -0.153 -8.218 0.441 1.00 63.24 H new ATOM 0 HB2 ASP A 9 0.152 -5.653 0.010 1.00 65.32 H new ATOM 0 HB3 ASP A 9 -0.809 -5.442 1.460 1.00 65.32 H new ATOM 127 N LEU A 10 -2.061 -9.130 1.910 1.00 12.40 N ATOM 128 CA LEU A 10 -2.860 -9.656 3.011 1.00 12.34 C ATOM 129 C LEU A 10 -2.229 -10.920 3.587 1.00 52.43 C ATOM 130 O LEU A 10 -1.115 -11.292 3.221 1.00 52.55 O ATOM 131 CB LEU A 10 -4.284 -9.953 2.538 1.00 51.11 C ATOM 132 CG LEU A 10 -5.389 -9.090 3.150 1.00 64.52 C ATOM 133 CD1 LEU A 10 -5.416 -9.252 4.662 1.00 52.03 C ATOM 134 CD2 LEU A 10 -5.196 -7.629 2.771 1.00 22.30 C ATOM 0 H LEU A 10 -1.801 -9.824 1.209 1.00 12.40 H new ATOM 0 HA LEU A 10 -2.895 -8.900 3.795 1.00 12.34 H new ATOM 0 HB2 LEU A 10 -4.317 -9.836 1.455 1.00 51.11 H new ATOM 0 HB3 LEU A 10 -4.506 -10.998 2.753 1.00 51.11 H new ATOM 0 HG LEU A 10 -6.347 -9.424 2.752 1.00 64.52 H new ATOM 0 HD11 LEU A 10 -6.208 -8.631 5.080 1.00 52.03 H new ATOM 0 HD12 LEU A 10 -5.603 -10.296 4.913 1.00 52.03 H new ATOM 0 HD13 LEU A 10 -4.456 -8.945 5.078 1.00 52.03 H new ATOM 0 HD21 LEU A 10 -5.991 -7.030 3.215 1.00 22.30 H new ATOM 0 HD22 LEU A 10 -4.231 -7.282 3.140 1.00 22.30 H new ATOM 0 HD23 LEU A 10 -5.228 -7.527 1.686 1.00 22.30 H new ATOM 146 N GLY A 11 -2.951 -11.577 4.489 1.00 20.41 N ATOM 147 CA GLY A 11 -2.446 -12.794 5.099 1.00 55.21 C ATOM 148 C GLY A 11 -1.960 -13.798 4.073 1.00 4.10 C ATOM 149 O GLY A 11 -0.760 -14.050 3.960 1.00 25.42 O ATOM 0 H GLY A 11 -3.876 -11.289 4.808 1.00 20.41 H new ATOM 0 HA2 GLY A 11 -1.628 -12.545 5.775 1.00 55.21 H new ATOM 0 HA3 GLY A 11 -3.232 -13.248 5.703 1.00 55.21 H new ATOM 153 N THR A 12 -2.893 -14.375 3.323 1.00 51.05 N ATOM 154 CA THR A 12 -2.553 -15.359 2.303 1.00 73.31 C ATOM 155 C THR A 12 -1.693 -14.741 1.207 1.00 54.04 C ATOM 156 O THR A 12 -0.673 -15.306 0.810 1.00 33.33 O ATOM 157 CB THR A 12 -3.817 -15.968 1.666 1.00 31.05 C ATOM 158 OG1 THR A 12 -4.983 -15.292 2.150 1.00 33.43 O ATOM 159 CG2 THR A 12 -3.919 -17.453 1.979 1.00 21.23 C ATOM 0 H THR A 12 -3.891 -14.178 3.403 1.00 51.05 H new ATOM 0 HA THR A 12 -1.990 -16.148 2.801 1.00 73.31 H new ATOM 0 HB THR A 12 -3.748 -15.845 0.585 1.00 31.05 H new ATOM 0 HG1 THR A 12 -5.782 -15.683 1.739 1.00 33.43 H new ATOM 0 HG21 THR A 12 -4.819 -17.861 1.519 1.00 21.23 H new ATOM 0 HG22 THR A 12 -3.044 -17.969 1.584 1.00 21.23 H new ATOM 0 HG23 THR A 12 -3.967 -17.595 3.059 1.00 21.23 H new ATOM 167 N LEU A 13 -2.110 -13.577 0.720 1.00 73.30 N ATOM 168 CA LEU A 13 -1.377 -12.881 -0.331 1.00 40.24 C ATOM 169 C LEU A 13 -0.019 -12.405 0.175 1.00 32.03 C ATOM 170 O LEU A 13 0.810 -11.923 -0.598 1.00 12.23 O ATOM 171 CB LEU A 13 -2.189 -11.690 -0.844 1.00 1.14 C ATOM 172 CG LEU A 13 -2.084 -11.400 -2.341 1.00 63.34 C ATOM 173 CD1 LEU A 13 -2.702 -10.050 -2.669 1.00 2.14 C ATOM 174 CD2 LEU A 13 -0.631 -11.448 -2.793 1.00 54.30 C ATOM 0 H LEU A 13 -2.952 -13.096 1.036 1.00 73.30 H new ATOM 0 HA LEU A 13 -1.214 -13.581 -1.150 1.00 40.24 H new ATOM 0 HB2 LEU A 13 -3.238 -11.859 -0.600 1.00 1.14 H new ATOM 0 HB3 LEU A 13 -1.874 -10.800 -0.299 1.00 1.14 H new ATOM 0 HG LEU A 13 -2.637 -12.169 -2.880 1.00 63.34 H new ATOM 0 HD11 LEU A 13 -2.617 -9.862 -3.739 1.00 2.14 H new ATOM 0 HD12 LEU A 13 -3.754 -10.052 -2.383 1.00 2.14 H new ATOM 0 HD13 LEU A 13 -2.178 -9.267 -2.120 1.00 2.14 H new ATOM 0 HD21 LEU A 13 -0.575 -11.239 -3.861 1.00 54.30 H new ATOM 0 HD22 LEU A 13 -0.055 -10.701 -2.247 1.00 54.30 H new ATOM 0 HD23 LEU A 13 -0.221 -12.438 -2.595 1.00 54.30 H new ATOM 186 N LEU A 14 0.203 -12.545 1.477 1.00 32.44 N ATOM 187 CA LEU A 14 1.462 -12.132 2.088 1.00 74.11 C ATOM 188 C LEU A 14 2.650 -12.589 1.248 1.00 40.00 C ATOM 189 O LEU A 14 3.692 -11.933 1.219 1.00 73.33 O ATOM 190 CB LEU A 14 1.575 -12.700 3.504 1.00 40.31 C ATOM 191 CG LEU A 14 2.872 -12.386 4.251 1.00 52.11 C ATOM 192 CD1 LEU A 14 2.716 -11.123 5.084 1.00 33.53 C ATOM 193 CD2 LEU A 14 3.279 -13.560 5.129 1.00 32.11 C ATOM 0 H LEU A 14 -0.472 -12.941 2.130 1.00 32.44 H new ATOM 0 HA LEU A 14 1.473 -11.043 2.138 1.00 74.11 H new ATOM 0 HB2 LEU A 14 0.739 -12.323 4.093 1.00 40.31 H new ATOM 0 HB3 LEU A 14 1.463 -13.783 3.450 1.00 40.31 H new ATOM 0 HG LEU A 14 3.660 -12.217 3.517 1.00 52.11 H new ATOM 0 HD11 LEU A 14 3.649 -10.915 5.608 1.00 33.53 H new ATOM 0 HD12 LEU A 14 2.472 -10.285 4.432 1.00 33.53 H new ATOM 0 HD13 LEU A 14 1.915 -11.263 5.810 1.00 33.53 H new ATOM 0 HD21 LEU A 14 4.204 -13.319 5.653 1.00 32.11 H new ATOM 0 HD22 LEU A 14 2.492 -13.761 5.856 1.00 32.11 H new ATOM 0 HD23 LEU A 14 3.433 -14.442 4.508 1.00 32.11 H new ATOM 205 N PHE A 15 2.486 -13.717 0.564 1.00 0.42 N ATOM 206 CA PHE A 15 3.545 -14.261 -0.278 1.00 12.10 C ATOM 207 C PHE A 15 2.992 -15.313 -1.235 1.00 51.31 C ATOM 208 O PHE A 15 1.792 -15.588 -1.246 1.00 21.34 O ATOM 209 CB PHE A 15 4.650 -14.872 0.586 1.00 13.04 C ATOM 210 CG PHE A 15 5.588 -13.854 1.168 1.00 42.41 C ATOM 211 CD1 PHE A 15 6.417 -13.106 0.346 1.00 35.50 C ATOM 212 CD2 PHE A 15 5.642 -13.643 2.536 1.00 34.13 C ATOM 213 CE1 PHE A 15 7.282 -12.169 0.879 1.00 75.42 C ATOM 214 CE2 PHE A 15 6.504 -12.707 3.075 1.00 64.02 C ATOM 215 CZ PHE A 15 7.325 -11.969 2.245 1.00 54.54 C ATOM 0 H PHE A 15 1.630 -14.272 0.576 1.00 0.42 H new ATOM 0 HA PHE A 15 3.963 -13.444 -0.866 1.00 12.10 H new ATOM 0 HB2 PHE A 15 4.194 -15.440 1.397 1.00 13.04 H new ATOM 0 HB3 PHE A 15 5.222 -15.579 -0.016 1.00 13.04 H new ATOM 0 HD1 PHE A 15 6.386 -13.257 -0.723 1.00 35.50 H new ATOM 0 HD2 PHE A 15 5.002 -14.217 3.190 1.00 34.13 H new ATOM 0 HE1 PHE A 15 7.924 -11.594 0.228 1.00 75.42 H new ATOM 0 HE2 PHE A 15 6.536 -12.553 4.143 1.00 64.02 H new ATOM 0 HZ PHE A 15 8.000 -11.237 2.663 1.00 54.54 H new ATOM 225 N ARG A 16 3.876 -15.896 -2.038 1.00 74.31 N ATOM 226 CA ARG A 16 3.477 -16.916 -3.000 1.00 72.33 C ATOM 227 C ARG A 16 2.276 -16.451 -3.819 1.00 63.25 C ATOM 228 O ARG A 16 1.518 -17.265 -4.347 1.00 33.55 O ATOM 229 CB ARG A 16 3.141 -18.223 -2.280 1.00 74.51 C ATOM 230 CG ARG A 16 2.859 -19.383 -3.222 1.00 2.20 C ATOM 231 CD ARG A 16 1.454 -19.929 -3.028 1.00 75.51 C ATOM 232 NE ARG A 16 1.464 -21.299 -2.522 1.00 31.31 N ATOM 233 CZ ARG A 16 0.423 -21.870 -1.926 1.00 22.43 C ATOM 234 NH1 ARG A 16 -0.705 -21.194 -1.762 1.00 51.54 N ATOM 235 NH2 ARG A 16 0.510 -23.121 -1.492 1.00 31.41 N ATOM 0 H ARG A 16 4.873 -15.679 -2.041 1.00 74.31 H new ATOM 0 HA ARG A 16 4.313 -17.087 -3.678 1.00 72.33 H new ATOM 0 HB2 ARG A 16 3.970 -18.491 -1.626 1.00 74.51 H new ATOM 0 HB3 ARG A 16 2.271 -18.064 -1.643 1.00 74.51 H new ATOM 0 HG2 ARG A 16 2.983 -19.054 -4.254 1.00 2.20 H new ATOM 0 HG3 ARG A 16 3.586 -20.177 -3.051 1.00 2.20 H new ATOM 0 HD2 ARG A 16 0.910 -19.290 -2.333 1.00 75.51 H new ATOM 0 HD3 ARG A 16 0.918 -19.897 -3.977 1.00 75.51 H new ATOM 0 HE ARG A 16 2.317 -21.847 -2.632 1.00 31.31 H new ATOM 0 HH11 ARG A 16 -0.776 -20.232 -2.094 1.00 51.54 H new ATOM 0 HH12 ARG A 16 -1.502 -21.636 -1.304 1.00 51.54 H new ATOM 0 HH21 ARG A 16 1.376 -23.645 -1.616 1.00 31.41 H new ATOM 0 HH22 ARG A 16 -0.290 -23.559 -1.034 1.00 31.41 H new ATOM 249 N CYS A 17 2.110 -15.137 -3.922 1.00 10.12 N ATOM 250 CA CYS A 17 1.002 -14.562 -4.675 1.00 61.23 C ATOM 251 C CYS A 17 0.268 -15.639 -5.470 1.00 0.35 C ATOM 252 O CYS A 17 0.749 -16.097 -6.506 1.00 4.31 O ATOM 253 CB CYS A 17 1.512 -13.473 -5.621 1.00 71.34 C ATOM 254 SG CYS A 17 2.953 -13.970 -6.619 1.00 72.21 S ATOM 0 H CYS A 17 2.729 -14.450 -3.493 1.00 10.12 H new ATOM 0 HA CYS A 17 0.303 -14.119 -3.965 1.00 61.23 H new ATOM 0 HB2 CYS A 17 0.703 -13.180 -6.291 1.00 71.34 H new ATOM 0 HB3 CYS A 17 1.775 -12.592 -5.035 1.00 71.34 H new ATOM 259 N ARG A 18 -0.900 -16.038 -4.976 1.00 3.51 N ATOM 260 CA ARG A 18 -1.700 -17.060 -5.638 1.00 61.43 C ATOM 261 C ARG A 18 -1.890 -16.730 -7.116 1.00 2.22 C ATOM 262 O ARG A 18 -2.169 -17.611 -7.928 1.00 72.54 O ATOM 263 CB ARG A 18 -3.062 -17.194 -4.955 1.00 73.04 C ATOM 264 CG ARG A 18 -3.492 -15.945 -4.203 1.00 43.13 C ATOM 265 CD ARG A 18 -3.178 -16.053 -2.719 1.00 53.12 C ATOM 266 NE ARG A 18 -3.620 -17.327 -2.158 1.00 15.53 N ATOM 267 CZ ARG A 18 -3.061 -17.895 -1.096 1.00 23.51 C ATOM 268 NH1 ARG A 18 -2.043 -17.307 -0.484 1.00 2.45 N ATOM 269 NH2 ARG A 18 -3.520 -19.056 -0.644 1.00 45.31 N ATOM 0 H ARG A 18 -1.313 -15.669 -4.119 1.00 3.51 H new ATOM 0 HA ARG A 18 -1.168 -18.008 -5.561 1.00 61.43 H new ATOM 0 HB2 ARG A 18 -3.814 -17.432 -5.707 1.00 73.04 H new ATOM 0 HB3 ARG A 18 -3.029 -18.033 -4.260 1.00 73.04 H new ATOM 0 HG2 ARG A 18 -2.986 -15.075 -4.621 1.00 43.13 H new ATOM 0 HG3 ARG A 18 -4.562 -15.787 -4.339 1.00 43.13 H new ATOM 0 HD2 ARG A 18 -2.104 -15.943 -2.567 1.00 53.12 H new ATOM 0 HD3 ARG A 18 -3.661 -15.235 -2.186 1.00 53.12 H new ATOM 0 HE ARG A 18 -4.401 -17.806 -2.606 1.00 15.53 H new ATOM 0 HH11 ARG A 18 -1.687 -16.416 -0.829 1.00 2.45 H new ATOM 0 HH12 ARG A 18 -1.616 -17.746 0.332 1.00 2.45 H new ATOM 0 HH21 ARG A 18 -4.303 -19.512 -1.113 1.00 45.31 H new ATOM 0 HH22 ARG A 18 -3.090 -19.492 0.172 1.00 45.31 H new ATOM 283 N ARG A 19 -1.737 -15.454 -7.456 1.00 22.21 N ATOM 284 CA ARG A 19 -1.893 -15.007 -8.835 1.00 31.03 C ATOM 285 C ARG A 19 -2.038 -13.489 -8.901 1.00 33.51 C ATOM 286 O ARG A 19 -2.575 -12.867 -7.984 1.00 43.44 O ATOM 287 CB ARG A 19 -3.111 -15.675 -9.475 1.00 14.01 C ATOM 288 CG ARG A 19 -3.443 -15.139 -10.858 1.00 62.52 C ATOM 289 CD ARG A 19 -3.806 -16.262 -11.818 1.00 5.11 C ATOM 290 NE ARG A 19 -2.666 -17.131 -12.099 1.00 32.42 N ATOM 291 CZ ARG A 19 -1.700 -16.823 -12.957 1.00 13.10 C ATOM 292 NH1 ARG A 19 -1.736 -15.672 -13.614 1.00 44.02 N ATOM 293 NH2 ARG A 19 -0.696 -17.666 -13.159 1.00 31.53 N ATOM 0 H ARG A 19 -1.505 -14.712 -6.796 1.00 22.21 H new ATOM 0 HA ARG A 19 -0.998 -15.294 -9.387 1.00 31.03 H new ATOM 0 HB2 ARG A 19 -2.932 -16.748 -9.544 1.00 14.01 H new ATOM 0 HB3 ARG A 19 -3.974 -15.537 -8.824 1.00 14.01 H new ATOM 0 HG2 ARG A 19 -4.273 -14.436 -10.788 1.00 62.52 H new ATOM 0 HG3 ARG A 19 -2.589 -14.586 -11.250 1.00 62.52 H new ATOM 0 HD2 ARG A 19 -4.617 -16.854 -11.394 1.00 5.11 H new ATOM 0 HD3 ARG A 19 -4.176 -15.836 -12.751 1.00 5.11 H new ATOM 0 HE ARG A 19 -2.609 -18.024 -11.609 1.00 32.42 H new ATOM 0 HH11 ARG A 19 -2.506 -15.021 -13.461 1.00 44.02 H new ATOM 0 HH12 ARG A 19 -0.993 -15.437 -14.272 1.00 44.02 H new ATOM 0 HH21 ARG A 19 -0.665 -18.552 -12.655 1.00 31.53 H new ATOM 0 HH22 ARG A 19 0.045 -17.428 -13.818 1.00 31.53 H new ATOM 307 N ASP A 20 -1.556 -12.901 -9.990 1.00 74.42 N ATOM 308 CA ASP A 20 -1.633 -11.457 -10.177 1.00 23.04 C ATOM 309 C ASP A 20 -3.031 -10.940 -9.853 1.00 31.52 C ATOM 310 O ASP A 20 -3.208 -9.772 -9.509 1.00 3.21 O ATOM 311 CB ASP A 20 -1.258 -11.086 -11.612 1.00 74.24 C ATOM 312 CG ASP A 20 0.120 -11.586 -11.999 1.00 11.42 C ATOM 313 OD1 ASP A 20 0.289 -12.815 -12.132 1.00 21.52 O ATOM 314 OD2 ASP A 20 1.030 -10.747 -12.167 1.00 53.53 O ATOM 0 H ASP A 20 -1.108 -13.402 -10.757 1.00 74.42 H new ATOM 0 HA ASP A 20 -0.925 -10.989 -9.493 1.00 23.04 H new ATOM 0 HB2 ASP A 20 -1.997 -11.502 -12.297 1.00 74.24 H new ATOM 0 HB3 ASP A 20 -1.293 -10.002 -11.725 1.00 74.24 H new ATOM 319 N SER A 21 -4.022 -11.819 -9.966 1.00 70.12 N ATOM 320 CA SER A 21 -5.406 -11.451 -9.690 1.00 43.33 C ATOM 321 C SER A 21 -5.547 -10.890 -8.278 1.00 75.53 C ATOM 322 O SER A 21 -6.382 -10.021 -8.024 1.00 65.23 O ATOM 323 CB SER A 21 -6.323 -12.663 -9.865 1.00 1.32 C ATOM 324 OG SER A 21 -6.153 -13.588 -8.805 1.00 0.42 O ATOM 0 H SER A 21 -3.892 -12.791 -10.247 1.00 70.12 H new ATOM 0 HA SER A 21 -5.700 -10.678 -10.400 1.00 43.33 H new ATOM 0 HB2 SER A 21 -7.362 -12.335 -9.902 1.00 1.32 H new ATOM 0 HB3 SER A 21 -6.109 -13.151 -10.816 1.00 1.32 H new ATOM 0 HG SER A 21 -6.751 -14.353 -8.939 1.00 0.42 H new ATOM 330 N ASP A 22 -4.727 -11.395 -7.364 1.00 2.15 N ATOM 331 CA ASP A 22 -4.759 -10.945 -5.977 1.00 23.23 C ATOM 332 C ASP A 22 -4.134 -9.560 -5.840 1.00 72.10 C ATOM 333 O ASP A 22 -4.174 -8.952 -4.770 1.00 24.43 O ATOM 334 CB ASP A 22 -4.023 -11.941 -5.078 1.00 51.23 C ATOM 335 CG ASP A 22 -2.552 -12.058 -5.427 1.00 13.23 C ATOM 336 OD1 ASP A 22 -1.908 -11.010 -5.643 1.00 11.21 O ATOM 337 OD2 ASP A 22 -2.045 -13.197 -5.482 1.00 71.43 O ATOM 0 H ASP A 22 -4.032 -12.116 -7.558 1.00 2.15 H new ATOM 0 HA ASP A 22 -5.802 -10.886 -5.664 1.00 23.23 H new ATOM 0 HB2 ASP A 22 -4.123 -11.630 -4.038 1.00 51.23 H new ATOM 0 HB3 ASP A 22 -4.493 -12.921 -5.165 1.00 51.23 H new ATOM 342 N CYS A 23 -3.557 -9.067 -6.931 1.00 12.45 N ATOM 343 CA CYS A 23 -2.923 -7.754 -6.933 1.00 65.22 C ATOM 344 C CYS A 23 -3.756 -6.748 -7.722 1.00 33.41 C ATOM 345 O CYS A 23 -3.582 -6.569 -8.927 1.00 63.44 O ATOM 346 CB CYS A 23 -1.516 -7.846 -7.529 1.00 12.22 C ATOM 347 SG CYS A 23 -0.178 -7.631 -6.312 1.00 1.42 S ATOM 0 H CYS A 23 -3.515 -9.557 -7.825 1.00 12.45 H new ATOM 0 HA CYS A 23 -2.853 -7.410 -5.901 1.00 65.22 H new ATOM 0 HB2 CYS A 23 -1.400 -8.816 -8.013 1.00 12.22 H new ATOM 0 HB3 CYS A 23 -1.412 -7.088 -8.306 1.00 12.22 H new ATOM 0 HG CYS A 23 -0.191 -6.411 -5.863 1.00 1.42 H new ATOM 352 N PRO A 24 -4.685 -6.075 -7.026 1.00 62.24 N ATOM 353 CA PRO A 24 -5.564 -5.076 -7.641 1.00 4.54 C ATOM 354 C PRO A 24 -4.811 -3.813 -8.046 1.00 1.10 C ATOM 355 O PRO A 24 -4.941 -3.335 -9.172 1.00 72.53 O ATOM 356 CB PRO A 24 -6.574 -4.764 -6.534 1.00 10.42 C ATOM 357 CG PRO A 24 -5.859 -5.085 -5.267 1.00 34.32 C ATOM 358 CD PRO A 24 -4.948 -6.238 -5.587 1.00 1.23 C ATOM 0 HA PRO A 24 -6.019 -5.444 -8.561 1.00 4.54 H new ATOM 0 HB2 PRO A 24 -6.881 -3.718 -6.561 1.00 10.42 H new ATOM 0 HB3 PRO A 24 -7.477 -5.364 -6.642 1.00 10.42 H new ATOM 0 HG2 PRO A 24 -5.291 -4.226 -4.911 1.00 34.32 H new ATOM 0 HG3 PRO A 24 -6.563 -5.351 -4.478 1.00 34.32 H new ATOM 0 HD2 PRO A 24 -4.028 -6.198 -5.003 1.00 1.23 H new ATOM 0 HD3 PRO A 24 -5.421 -7.196 -5.371 1.00 1.23 H new ATOM 366 N GLY A 25 -4.022 -3.276 -7.120 1.00 30.42 N ATOM 367 CA GLY A 25 -3.260 -2.074 -7.401 1.00 2.23 C ATOM 368 C GLY A 25 -2.190 -2.298 -8.451 1.00 5.25 C ATOM 369 O GLY A 25 -2.261 -3.250 -9.226 1.00 74.33 O ATOM 0 H GLY A 25 -3.897 -3.652 -6.180 1.00 30.42 H new ATOM 0 HA2 GLY A 25 -3.937 -1.289 -7.738 1.00 2.23 H new ATOM 0 HA3 GLY A 25 -2.794 -1.720 -6.482 1.00 2.23 H new ATOM 373 N ALA A 26 -1.195 -1.417 -8.476 1.00 43.15 N ATOM 374 CA ALA A 26 -0.105 -1.523 -9.439 1.00 31.33 C ATOM 375 C ALA A 26 0.661 -2.829 -9.259 1.00 32.54 C ATOM 376 O ALA A 26 0.963 -3.523 -10.230 1.00 75.31 O ATOM 377 CB ALA A 26 0.835 -0.335 -9.305 1.00 4.25 C ATOM 0 H ALA A 26 -1.121 -0.622 -7.841 1.00 43.15 H new ATOM 0 HA ALA A 26 -0.536 -1.520 -10.440 1.00 31.33 H new ATOM 0 HB1 ALA A 26 1.644 -0.427 -10.030 1.00 4.25 H new ATOM 0 HB2 ALA A 26 0.285 0.587 -9.491 1.00 4.25 H new ATOM 0 HB3 ALA A 26 1.251 -0.312 -8.298 1.00 4.25 H new ATOM 383 N CYS A 27 0.974 -3.159 -8.010 1.00 34.21 N ATOM 384 CA CYS A 27 1.706 -4.382 -7.702 1.00 13.42 C ATOM 385 C CYS A 27 1.139 -5.566 -8.480 1.00 43.30 C ATOM 386 O CYS A 27 0.004 -5.523 -8.955 1.00 61.22 O ATOM 387 CB CYS A 27 1.649 -4.670 -6.200 1.00 62.13 C ATOM 388 SG CYS A 27 0.014 -4.387 -5.450 1.00 14.42 S ATOM 0 H CYS A 27 0.732 -2.596 -7.195 1.00 34.21 H new ATOM 0 HA CYS A 27 2.745 -4.239 -7.999 1.00 13.42 H new ATOM 0 HB2 CYS A 27 1.941 -5.706 -6.028 1.00 62.13 H new ATOM 0 HB3 CYS A 27 2.383 -4.044 -5.693 1.00 62.13 H new ATOM 393 N ILE A 28 1.938 -6.620 -8.606 1.00 33.34 N ATOM 394 CA ILE A 28 1.516 -7.816 -9.324 1.00 73.15 C ATOM 395 C ILE A 28 2.289 -9.043 -8.853 1.00 11.24 C ATOM 396 O ILE A 28 3.372 -8.925 -8.279 1.00 12.25 O ATOM 397 CB ILE A 28 1.707 -7.656 -10.844 1.00 73.03 C ATOM 398 CG1 ILE A 28 3.096 -7.091 -11.149 1.00 73.51 C ATOM 399 CG2 ILE A 28 0.625 -6.756 -11.422 1.00 73.12 C ATOM 400 CD1 ILE A 28 3.360 -6.901 -12.626 1.00 72.13 C ATOM 0 H ILE A 28 2.881 -6.670 -8.220 1.00 33.34 H new ATOM 0 HA ILE A 28 0.456 -7.954 -9.111 1.00 73.15 H new ATOM 0 HB ILE A 28 1.624 -8.637 -11.311 1.00 73.03 H new ATOM 0 HG12 ILE A 28 3.209 -6.133 -10.642 1.00 73.51 H new ATOM 0 HG13 ILE A 28 3.850 -7.761 -10.737 1.00 73.51 H new ATOM 0 HG21 ILE A 28 0.774 -6.653 -12.497 1.00 73.12 H new ATOM 0 HG22 ILE A 28 -0.354 -7.196 -11.232 1.00 73.12 H new ATOM 0 HG23 ILE A 28 0.679 -5.774 -10.952 1.00 73.12 H new ATOM 0 HD11 ILE A 28 4.363 -6.498 -12.767 1.00 72.13 H new ATOM 0 HD12 ILE A 28 3.280 -7.861 -13.136 1.00 72.13 H new ATOM 0 HD13 ILE A 28 2.628 -6.207 -13.040 1.00 72.13 H new ATOM 412 N CYS A 29 1.726 -10.221 -9.100 1.00 24.01 N ATOM 413 CA CYS A 29 2.362 -11.471 -8.702 1.00 65.12 C ATOM 414 C CYS A 29 3.515 -11.818 -9.641 1.00 10.45 C ATOM 415 O CYS A 29 3.319 -11.992 -10.843 1.00 53.23 O ATOM 416 CB CYS A 29 1.339 -12.608 -8.693 1.00 33.04 C ATOM 417 SG CYS A 29 2.076 -14.272 -8.605 1.00 11.41 S ATOM 0 H CYS A 29 0.830 -10.336 -9.574 1.00 24.01 H new ATOM 0 HA CYS A 29 2.761 -11.342 -7.696 1.00 65.12 H new ATOM 0 HB2 CYS A 29 0.670 -12.473 -7.843 1.00 33.04 H new ATOM 0 HB3 CYS A 29 0.728 -12.540 -9.593 1.00 33.04 H new ATOM 422 N ARG A 30 4.717 -11.916 -9.081 1.00 54.15 N ATOM 423 CA ARG A 30 5.901 -12.241 -9.868 1.00 13.54 C ATOM 424 C ARG A 30 6.682 -13.384 -9.227 1.00 30.00 C ATOM 425 O ARG A 30 6.332 -13.861 -8.148 1.00 41.41 O ATOM 426 CB ARG A 30 6.799 -11.010 -10.007 1.00 62.35 C ATOM 427 CG ARG A 30 7.325 -10.486 -8.681 1.00 62.32 C ATOM 428 CD ARG A 30 6.364 -9.487 -8.056 1.00 62.14 C ATOM 429 NE ARG A 30 6.099 -8.356 -8.942 1.00 34.24 N ATOM 430 CZ ARG A 30 6.967 -7.375 -9.162 1.00 30.43 C ATOM 431 NH1 ARG A 30 8.151 -7.387 -8.565 1.00 33.25 N ATOM 432 NH2 ARG A 30 6.652 -6.380 -9.981 1.00 61.30 N ATOM 0 H ARG A 30 4.896 -11.775 -8.087 1.00 54.15 H new ATOM 0 HA ARG A 30 5.574 -12.558 -10.858 1.00 13.54 H new ATOM 0 HB2 ARG A 30 7.643 -11.258 -10.651 1.00 62.35 H new ATOM 0 HB3 ARG A 30 6.240 -10.218 -10.505 1.00 62.35 H new ATOM 0 HG2 ARG A 30 7.482 -11.319 -7.996 1.00 62.32 H new ATOM 0 HG3 ARG A 30 8.295 -10.013 -8.835 1.00 62.32 H new ATOM 0 HD2 ARG A 30 5.426 -9.987 -7.816 1.00 62.14 H new ATOM 0 HD3 ARG A 30 6.780 -9.122 -7.117 1.00 62.14 H new ATOM 0 HE ARG A 30 5.198 -8.318 -9.418 1.00 34.24 H new ATOM 0 HH11 ARG A 30 8.397 -8.151 -7.935 1.00 33.25 H new ATOM 0 HH12 ARG A 30 8.816 -6.632 -8.736 1.00 33.25 H new ATOM 0 HH21 ARG A 30 5.742 -6.368 -10.442 1.00 61.30 H new ATOM 0 HH22 ARG A 30 7.319 -5.627 -10.149 1.00 61.30 H new ATOM 446 N GLY A 31 7.742 -13.820 -9.900 1.00 45.04 N ATOM 447 CA GLY A 31 8.556 -14.904 -9.382 1.00 60.22 C ATOM 448 C GLY A 31 9.119 -14.601 -8.008 1.00 11.12 C ATOM 449 O GLY A 31 9.532 -15.507 -7.285 1.00 50.23 O ATOM 0 H GLY A 31 8.052 -13.442 -10.795 1.00 45.04 H new ATOM 0 HA2 GLY A 31 7.957 -15.813 -9.333 1.00 60.22 H new ATOM 0 HA3 GLY A 31 9.376 -15.100 -10.072 1.00 60.22 H new ATOM 453 N ASN A 32 9.137 -13.322 -7.646 1.00 51.14 N ATOM 454 CA ASN A 32 9.656 -12.901 -6.350 1.00 72.20 C ATOM 455 C ASN A 32 8.967 -13.657 -5.217 1.00 43.33 C ATOM 456 O ASN A 32 9.438 -13.656 -4.081 1.00 13.14 O ATOM 457 CB ASN A 32 9.463 -11.395 -6.165 1.00 12.24 C ATOM 458 CG ASN A 32 8.303 -11.070 -5.243 1.00 41.41 C ATOM 459 OD1 ASN A 32 7.201 -10.764 -5.698 1.00 51.13 O ATOM 460 ND2 ASN A 32 8.547 -11.134 -3.939 1.00 65.14 N ATOM 0 H ASN A 32 8.798 -12.559 -8.232 1.00 51.14 H new ATOM 0 HA ASN A 32 10.721 -13.130 -6.321 1.00 72.20 H new ATOM 0 HB2 ASN A 32 10.378 -10.961 -5.761 1.00 12.24 H new ATOM 0 HB3 ASN A 32 9.292 -10.931 -7.137 1.00 12.24 H new ATOM 0 HD21 ASN A 32 7.805 -10.925 -3.271 1.00 65.14 H new ATOM 0 HD22 ASN A 32 9.476 -11.392 -3.606 1.00 65.14 H new ATOM 467 N GLY A 33 7.849 -14.302 -5.537 1.00 43.30 N ATOM 468 CA GLY A 33 7.114 -15.053 -4.536 1.00 42.22 C ATOM 469 C GLY A 33 6.108 -14.197 -3.793 1.00 33.32 C ATOM 470 O GLY A 33 5.860 -14.409 -2.605 1.00 53.45 O ATOM 0 H GLY A 33 7.440 -14.318 -6.471 1.00 43.30 H new ATOM 0 HA2 GLY A 33 6.596 -15.883 -5.017 1.00 42.22 H new ATOM 0 HA3 GLY A 33 7.816 -15.486 -3.823 1.00 42.22 H new ATOM 474 N TYR A 34 5.528 -13.228 -4.491 1.00 55.23 N ATOM 475 CA TYR A 34 4.545 -12.334 -3.889 1.00 23.32 C ATOM 476 C TYR A 34 4.092 -11.272 -4.885 1.00 53.14 C ATOM 477 O TYR A 34 4.733 -11.054 -5.914 1.00 73.31 O ATOM 478 CB TYR A 34 5.130 -11.665 -2.644 1.00 32.13 C ATOM 479 CG TYR A 34 4.314 -10.493 -2.147 1.00 42.32 C ATOM 480 CD1 TYR A 34 3.205 -10.687 -1.333 1.00 65.20 C ATOM 481 CD2 TYR A 34 4.653 -9.190 -2.492 1.00 4.13 C ATOM 482 CE1 TYR A 34 2.457 -9.619 -0.878 1.00 2.01 C ATOM 483 CE2 TYR A 34 3.912 -8.115 -2.040 1.00 32.50 C ATOM 484 CZ TYR A 34 2.814 -8.335 -1.234 1.00 24.22 C ATOM 485 OH TYR A 34 2.072 -7.268 -0.781 1.00 64.33 O ATOM 0 H TYR A 34 5.721 -13.041 -5.475 1.00 55.23 H new ATOM 0 HA TYR A 34 3.678 -12.929 -3.601 1.00 23.32 H new ATOM 0 HB2 TYR A 34 5.210 -12.405 -1.848 1.00 32.13 H new ATOM 0 HB3 TYR A 34 6.142 -11.325 -2.866 1.00 32.13 H new ATOM 0 HD1 TYR A 34 2.923 -11.691 -1.051 1.00 65.20 H new ATOM 0 HD2 TYR A 34 5.511 -9.015 -3.124 1.00 4.13 H new ATOM 0 HE1 TYR A 34 1.597 -9.788 -0.247 1.00 2.01 H new ATOM 0 HE2 TYR A 34 4.191 -7.109 -2.316 1.00 32.50 H new ATOM 0 HH TYR A 34 2.457 -6.434 -1.121 1.00 64.33 H new ATOM 495 N CYS A 35 2.982 -10.612 -4.572 1.00 75.24 N ATOM 496 CA CYS A 35 2.440 -9.572 -5.438 1.00 52.21 C ATOM 497 C CYS A 35 3.289 -8.306 -5.364 1.00 71.04 C ATOM 498 O CYS A 35 2.872 -7.298 -4.795 1.00 20.53 O ATOM 499 CB CYS A 35 0.995 -9.254 -5.046 1.00 45.11 C ATOM 500 SG CYS A 35 0.250 -7.889 -5.996 1.00 25.42 S ATOM 0 H CYS A 35 2.440 -10.779 -3.724 1.00 75.24 H new ATOM 0 HA CYS A 35 2.458 -9.942 -6.463 1.00 52.21 H new ATOM 0 HB2 CYS A 35 0.388 -10.149 -5.180 1.00 45.11 H new ATOM 0 HB3 CYS A 35 0.964 -9.004 -3.986 1.00 45.11 H new ATOM 0 HG CYS A 35 -0.905 -7.584 -5.484 1.00 25.42 H new ATOM 505 N GLY A 36 4.483 -8.366 -5.946 1.00 22.43 N ATOM 506 CA GLY A 36 5.372 -7.219 -5.935 1.00 22.40 C ATOM 507 C GLY A 36 4.684 -5.948 -6.390 1.00 13.11 C ATOM 508 O GLY A 36 4.446 -5.756 -7.582 1.00 51.52 O ATOM 0 H GLY A 36 4.850 -9.188 -6.425 1.00 22.43 H new ATOM 0 HA2 GLY A 36 5.763 -7.076 -4.928 1.00 22.40 H new ATOM 0 HA3 GLY A 36 6.225 -7.418 -6.583 1.00 22.40 H new