USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 378 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00096 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0379 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -153:sc= 1.06 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc=0.000504 USER MOD Single : A 59 TYR OH : rot 125:sc= 0.00298 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 66 MET CE :methyl -125:sc= 0 (180deg=-0.397) USER MOD Single : A 72 ASN : amide:sc= 1.83 K(o=1.8,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 23 5.108 -4.365 11.651 1.00 0.00 N ATOM 60 CA GLU A 23 4.384 -4.079 10.400 1.00 0.00 C ATOM 61 C GLU A 23 3.445 -5.241 10.023 1.00 0.00 C ATOM 62 O GLU A 23 3.742 -6.409 10.300 1.00 0.00 O ATOM 63 CB GLU A 23 5.381 -3.819 9.256 1.00 0.00 C ATOM 64 CG GLU A 23 6.241 -2.560 9.468 1.00 0.00 C ATOM 65 CD GLU A 23 7.241 -2.289 8.320 1.00 0.00 C ATOM 66 OE1 GLU A 23 7.146 -2.904 7.229 1.00 0.00 O ATOM 67 OE2 GLU A 23 8.143 -1.435 8.505 1.00 0.00 O ATOM 0 HA GLU A 23 3.778 -3.187 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.036 -4.684 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.831 -3.721 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.585 -1.697 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.793 -2.661 10.402 1.00 0.00 H new ATOM 74 N CYS A 24 2.316 -4.938 9.375 1.00 0.00 N ATOM 75 CA CYS A 24 1.351 -5.945 8.920 1.00 0.00 C ATOM 76 C CYS A 24 1.904 -6.764 7.736 1.00 0.00 C ATOM 77 O CYS A 24 2.442 -6.199 6.778 1.00 0.00 O ATOM 78 CB CYS A 24 0.037 -5.265 8.510 1.00 0.00 C ATOM 79 SG CYS A 24 -0.687 -4.121 9.720 1.00 0.00 S ATOM 0 H CYS A 24 2.044 -3.981 9.150 1.00 0.00 H new ATOM 0 HA CYS A 24 1.168 -6.629 9.749 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.209 -4.719 7.583 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.696 -6.041 8.291 1.00 0.00 H new ATOM 84 N THR A 25 1.739 -8.091 7.769 1.00 0.00 N ATOM 85 CA THR A 25 2.012 -8.973 6.619 1.00 0.00 C ATOM 86 C THR A 25 0.924 -8.853 5.533 1.00 0.00 C ATOM 87 O THR A 25 -0.148 -8.285 5.766 1.00 0.00 O ATOM 88 CB THR A 25 2.199 -10.428 7.089 1.00 0.00 C ATOM 89 OG1 THR A 25 2.804 -11.197 6.070 1.00 0.00 O ATOM 90 CG2 THR A 25 0.902 -11.129 7.501 1.00 0.00 C ATOM 0 H THR A 25 1.411 -8.590 8.596 1.00 0.00 H new ATOM 0 HA THR A 25 2.944 -8.647 6.158 1.00 0.00 H new ATOM 0 HB THR A 25 2.831 -10.360 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.919 -12.119 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.124 -12.148 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.440 -10.585 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.217 -11.154 6.654 1.00 0.00 H new ATOM 98 N VAL A 26 1.184 -9.394 4.339 1.00 0.00 N ATOM 99 CA VAL A 26 0.235 -9.433 3.210 1.00 0.00 C ATOM 100 C VAL A 26 -0.698 -10.656 3.353 1.00 0.00 C ATOM 101 O VAL A 26 -0.210 -11.758 3.626 1.00 0.00 O ATOM 102 CB VAL A 26 0.973 -9.480 1.855 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.031 -9.236 0.675 1.00 0.00 C ATOM 104 CG2 VAL A 26 2.086 -8.425 1.760 1.00 0.00 C ATOM 0 H VAL A 26 2.080 -9.829 4.120 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.359 -8.519 3.233 1.00 0.00 H new ATOM 0 HB VAL A 26 1.396 -10.483 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.596 -9.279 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.745 -10.002 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.430 -8.254 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.575 -8.499 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.655 -7.430 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.818 -8.597 2.549 1.00 0.00 H new ATOM 114 N PRO A 27 -2.027 -10.502 3.190 1.00 0.00 N ATOM 115 CA PRO A 27 -3.007 -11.587 3.288 1.00 0.00 C ATOM 116 C PRO A 27 -3.011 -12.500 2.042 1.00 0.00 C ATOM 117 O PRO A 27 -2.249 -12.305 1.091 1.00 0.00 O ATOM 118 CB PRO A 27 -4.346 -10.867 3.491 1.00 0.00 C ATOM 119 CG PRO A 27 -4.174 -9.601 2.660 1.00 0.00 C ATOM 120 CD PRO A 27 -2.699 -9.258 2.859 1.00 0.00 C ATOM 0 HA PRO A 27 -2.779 -12.270 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.186 -11.468 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.529 -10.640 4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.411 -9.772 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.825 -8.799 3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.278 -8.818 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.575 -8.526 3.657 1.00 0.00 H new ATOM 128 N ILE A 28 -3.882 -13.516 2.059 1.00 0.00 N ATOM 129 CA ILE A 28 -4.032 -14.549 1.015 1.00 0.00 C ATOM 130 C ILE A 28 -4.319 -13.943 -0.376 1.00 0.00 C ATOM 131 O ILE A 28 -4.970 -12.903 -0.503 1.00 0.00 O ATOM 132 CB ILE A 28 -5.139 -15.555 1.435 1.00 0.00 C ATOM 133 CG1 ILE A 28 -4.973 -16.103 2.876 1.00 0.00 C ATOM 134 CG2 ILE A 28 -5.260 -16.739 0.457 1.00 0.00 C ATOM 135 CD1 ILE A 28 -3.640 -16.806 3.169 1.00 0.00 C ATOM 0 H ILE A 28 -4.532 -13.651 2.833 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.084 -15.078 0.924 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.057 -14.967 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.088 -15.275 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.784 -16.804 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.047 -17.412 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.505 -16.366 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.313 -17.278 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.630 -17.150 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.525 -17.660 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.818 -16.108 3.010 1.00 0.00 H new ATOM 147 N GLY A 29 -3.839 -14.615 -1.428 1.00 0.00 N ATOM 148 CA GLY A 29 -3.968 -14.218 -2.835 1.00 0.00 C ATOM 149 C GLY A 29 -2.717 -13.496 -3.342 1.00 0.00 C ATOM 150 O GLY A 29 -2.059 -13.963 -4.276 1.00 0.00 O ATOM 0 H GLY A 29 -3.327 -15.490 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.150 -15.102 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.835 -13.567 -2.950 1.00 0.00 H new ATOM 154 N TRP A 30 -2.378 -12.370 -2.713 1.00 0.00 N ATOM 155 CA TRP A 30 -1.148 -11.605 -2.957 1.00 0.00 C ATOM 156 C TRP A 30 0.073 -12.185 -2.206 1.00 0.00 C ATOM 157 O TRP A 30 -0.017 -13.201 -1.512 1.00 0.00 O ATOM 158 CB TRP A 30 -1.396 -10.135 -2.600 1.00 0.00 C ATOM 159 CG TRP A 30 -2.603 -9.518 -3.238 1.00 0.00 C ATOM 160 CD1 TRP A 30 -2.767 -9.260 -4.555 1.00 0.00 C ATOM 161 CD2 TRP A 30 -3.841 -9.107 -2.593 1.00 0.00 C ATOM 162 NE1 TRP A 30 -4.011 -8.685 -4.760 1.00 0.00 N ATOM 163 CE2 TRP A 30 -4.716 -8.566 -3.579 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.308 -9.158 -1.266 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -5.989 -8.073 -3.257 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.583 -8.663 -0.925 1.00 0.00 C ATOM 167 CH2 TRP A 30 -6.421 -8.118 -1.918 1.00 0.00 C ATOM 0 H TRP A 30 -2.969 -11.949 -1.996 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.897 -11.680 -4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.495 -10.052 -1.518 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.518 -9.555 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -2.041 -9.469 -5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.362 -8.387 -5.670 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.680 -9.583 -0.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.629 -7.665 -4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.919 -8.702 0.101 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.395 -7.735 -1.652 1.00 0.00 H new ATOM 178 N SER A 31 1.231 -11.533 -2.351 1.00 0.00 N ATOM 179 CA SER A 31 2.478 -11.807 -1.618 1.00 0.00 C ATOM 180 C SER A 31 3.275 -10.509 -1.400 1.00 0.00 C ATOM 181 O SER A 31 2.884 -9.447 -1.887 1.00 0.00 O ATOM 182 CB SER A 31 3.307 -12.849 -2.382 1.00 0.00 C ATOM 183 OG SER A 31 4.353 -13.352 -1.562 1.00 0.00 O ATOM 0 H SER A 31 1.333 -10.763 -3.013 1.00 0.00 H new ATOM 0 HA SER A 31 2.235 -12.211 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.664 -13.668 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.727 -12.400 -3.282 1.00 0.00 H new ATOM 0 HG SER A 31 4.871 -14.016 -2.063 1.00 0.00 H new ATOM 189 N GLU A 32 4.382 -10.570 -0.659 1.00 0.00 N ATOM 190 CA GLU A 32 5.276 -9.437 -0.372 1.00 0.00 C ATOM 191 C GLU A 32 6.314 -9.175 -1.496 1.00 0.00 C ATOM 192 O GLU A 32 7.231 -9.983 -1.684 1.00 0.00 O ATOM 193 CB GLU A 32 5.961 -9.606 1.000 1.00 0.00 C ATOM 194 CG GLU A 32 6.554 -10.994 1.304 1.00 0.00 C ATOM 195 CD GLU A 32 7.418 -10.959 2.583 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.852 -10.835 3.699 1.00 0.00 O ATOM 197 OE2 GLU A 32 8.665 -11.070 2.481 1.00 0.00 O ATOM 0 H GLU A 32 4.696 -11.438 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 32 4.645 -8.549 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.761 -8.869 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.234 -9.368 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.749 -11.719 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.159 -11.327 0.461 1.00 0.00 H new ATOM 204 N PRO A 33 6.222 -8.058 -2.251 1.00 0.00 N ATOM 205 CA PRO A 33 7.284 -7.619 -3.156 1.00 0.00 C ATOM 206 C PRO A 33 8.468 -7.005 -2.384 1.00 0.00 C ATOM 207 O PRO A 33 8.314 -6.510 -1.262 1.00 0.00 O ATOM 208 CB PRO A 33 6.618 -6.577 -4.063 1.00 0.00 C ATOM 209 CG PRO A 33 5.583 -5.931 -3.148 1.00 0.00 C ATOM 210 CD PRO A 33 5.142 -7.081 -2.243 1.00 0.00 C ATOM 0 HA PRO A 33 7.703 -8.451 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.338 -5.848 -4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.153 -7.039 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.012 -5.110 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.746 -5.522 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.950 -6.725 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.215 -7.526 -2.606 1.00 0.00 H new ATOM 218 N VAL A 34 9.643 -6.979 -3.021 1.00 0.00 N ATOM 219 CA VAL A 34 10.867 -6.315 -2.513 1.00 0.00 C ATOM 220 C VAL A 34 11.175 -5.028 -3.292 1.00 0.00 C ATOM 221 O VAL A 34 11.627 -4.039 -2.709 1.00 0.00 O ATOM 222 CB VAL A 34 12.068 -7.287 -2.531 1.00 0.00 C ATOM 223 CG1 VAL A 34 13.335 -6.662 -1.932 1.00 0.00 C ATOM 224 CG2 VAL A 34 11.770 -8.563 -1.729 1.00 0.00 C ATOM 0 H VAL A 34 9.782 -7.427 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 34 10.684 -6.028 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 34 12.234 -7.521 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.150 -7.385 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.610 -5.777 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.147 -6.379 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.636 -9.224 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.554 -8.300 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.908 -9.071 -2.161 1.00 0.00 H new ATOM 234 N LYS A 35 10.893 -5.009 -4.603 1.00 0.00 N ATOM 235 CA LYS A 35 11.033 -3.827 -5.472 1.00 0.00 C ATOM 236 C LYS A 35 10.101 -2.678 -5.053 1.00 0.00 C ATOM 237 O LYS A 35 9.027 -2.902 -4.491 1.00 0.00 O ATOM 238 CB LYS A 35 10.844 -4.228 -6.950 1.00 0.00 C ATOM 239 CG LYS A 35 9.406 -4.636 -7.331 1.00 0.00 C ATOM 240 CD LYS A 35 9.285 -5.035 -8.813 1.00 0.00 C ATOM 241 CE LYS A 35 9.888 -6.410 -9.148 1.00 0.00 C ATOM 242 NZ LYS A 35 9.009 -7.533 -8.721 1.00 0.00 N ATOM 0 H LYS A 35 10.554 -5.832 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 35 12.045 -3.440 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.149 -3.392 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.514 -5.058 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.090 -5.471 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.729 -3.808 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.231 -5.035 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.777 -4.277 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.062 -6.476 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.859 -6.507 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.458 -8.438 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.863 -7.488 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.091 -7.458 -9.204 1.00 0.00 H new ATOM 256 N GLY A 36 10.504 -1.444 -5.352 1.00 0.00 N ATOM 257 CA GLY A 36 9.719 -0.221 -5.125 1.00 0.00 C ATOM 258 C GLY A 36 9.750 0.350 -3.700 1.00 0.00 C ATOM 259 O GLY A 36 9.270 1.462 -3.487 1.00 0.00 O ATOM 0 H GLY A 36 11.414 -1.257 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.077 0.548 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.682 -0.426 -5.389 1.00 0.00 H new ATOM 263 N LEU A 37 10.353 -0.346 -2.728 1.00 0.00 N ATOM 264 CA LEU A 37 10.559 0.118 -1.343 1.00 0.00 C ATOM 265 C LEU A 37 11.755 1.097 -1.215 1.00 0.00 C ATOM 266 O LEU A 37 12.431 1.165 -0.188 1.00 0.00 O ATOM 267 CB LEU A 37 10.654 -1.105 -0.398 1.00 0.00 C ATOM 268 CG LEU A 37 9.281 -1.674 0.020 1.00 0.00 C ATOM 269 CD1 LEU A 37 8.589 -2.493 -1.070 1.00 0.00 C ATOM 270 CD2 LEU A 37 9.446 -2.576 1.245 1.00 0.00 C ATOM 0 H LEU A 37 10.726 -1.282 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 37 9.695 0.708 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.228 -1.890 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.207 -0.820 0.497 1.00 0.00 H new ATOM 0 HG LEU A 37 8.656 -0.806 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.631 -2.857 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.424 -1.866 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.218 -3.340 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.474 -2.975 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.119 -3.399 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.863 -1.997 2.069 1.00 0.00 H new ATOM 282 N CYS A 38 12.003 1.897 -2.255 1.00 0.00 N ATOM 283 CA CYS A 38 13.088 2.874 -2.429 1.00 0.00 C ATOM 284 C CYS A 38 13.046 4.094 -1.471 1.00 0.00 C ATOM 285 O CYS A 38 13.738 5.088 -1.705 1.00 0.00 O ATOM 286 CB CYS A 38 13.065 3.328 -3.902 1.00 0.00 C ATOM 287 SG CYS A 38 13.147 1.892 -5.025 1.00 0.00 S ATOM 0 H CYS A 38 11.395 1.878 -3.074 1.00 0.00 H new ATOM 0 HA CYS A 38 14.021 2.376 -2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.156 3.897 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.906 3.994 -4.095 1.00 0.00 H new ATOM 0 HG CYS A 38 13.124 2.303 -6.258 1.00 0.00 H new ATOM 293 N LYS A 39 12.218 4.046 -0.414 1.00 0.00 N ATOM 294 CA LYS A 39 11.987 5.059 0.638 1.00 0.00 C ATOM 295 C LYS A 39 11.446 6.420 0.147 1.00 0.00 C ATOM 296 O LYS A 39 11.364 7.371 0.927 1.00 0.00 O ATOM 297 CB LYS A 39 13.242 5.201 1.528 1.00 0.00 C ATOM 298 CG LYS A 39 13.925 3.889 1.964 1.00 0.00 C ATOM 299 CD LYS A 39 13.018 2.946 2.771 1.00 0.00 C ATOM 300 CE LYS A 39 13.790 1.662 3.102 1.00 0.00 C ATOM 301 NZ LYS A 39 12.963 0.709 3.888 1.00 0.00 N ATOM 0 H LYS A 39 11.638 3.222 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 39 11.164 4.676 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.974 5.806 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.964 5.756 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.279 3.364 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.803 4.131 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.691 3.434 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.121 2.708 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.115 1.185 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.689 1.913 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.519 -0.146 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.674 1.156 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.117 0.450 3.341 1.00 0.00 H new ATOM 315 N ALA A 40 11.059 6.517 -1.127 1.00 0.00 N ATOM 316 CA ALA A 40 10.462 7.699 -1.753 1.00 0.00 C ATOM 317 C ALA A 40 9.020 7.988 -1.267 1.00 0.00 C ATOM 318 O ALA A 40 8.392 7.152 -0.606 1.00 0.00 O ATOM 319 CB ALA A 40 10.511 7.485 -3.271 1.00 0.00 C ATOM 0 H ALA A 40 11.158 5.739 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 40 11.033 8.582 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.074 8.347 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.547 7.366 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.947 6.589 -3.531 1.00 0.00 H new ATOM 325 N ARG A 41 8.479 9.166 -1.625 1.00 0.00 N ATOM 326 CA ARG A 41 7.170 9.676 -1.149 1.00 0.00 C ATOM 327 C ARG A 41 6.096 9.874 -2.229 1.00 0.00 C ATOM 328 O ARG A 41 4.938 10.118 -1.892 1.00 0.00 O ATOM 329 CB ARG A 41 7.374 10.969 -0.333 1.00 0.00 C ATOM 330 CG ARG A 41 8.279 10.772 0.897 1.00 0.00 C ATOM 331 CD ARG A 41 8.255 11.982 1.843 1.00 0.00 C ATOM 332 NE ARG A 41 8.806 13.203 1.217 1.00 0.00 N ATOM 333 CZ ARG A 41 8.790 14.427 1.717 1.00 0.00 C ATOM 334 NH1 ARG A 41 8.270 14.693 2.883 1.00 0.00 N ATOM 335 NH2 ARG A 41 9.301 15.421 1.048 1.00 0.00 N ATOM 0 H ARG A 41 8.945 9.807 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 41 6.768 8.883 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.809 11.733 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.403 11.342 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.960 9.883 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.302 10.593 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.229 12.171 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.827 11.748 2.741 1.00 0.00 H new ATOM 0 HE ARG A 41 9.245 13.089 0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.858 13.945 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.275 15.649 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.718 15.258 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.285 16.362 1.441 1.00 0.00 H new ATOM 349 N PHE A 42 6.444 9.753 -3.514 1.00 0.00 N ATOM 350 CA PHE A 42 5.490 9.862 -4.630 1.00 0.00 C ATOM 351 C PHE A 42 4.640 8.593 -4.841 1.00 0.00 C ATOM 352 O PHE A 42 3.534 8.674 -5.382 1.00 0.00 O ATOM 353 CB PHE A 42 6.244 10.217 -5.922 1.00 0.00 C ATOM 354 CG PHE A 42 7.082 9.088 -6.497 1.00 0.00 C ATOM 355 CD1 PHE A 42 8.398 8.882 -6.045 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.532 8.223 -7.463 1.00 0.00 C ATOM 357 CE1 PHE A 42 9.161 7.817 -6.559 1.00 0.00 C ATOM 358 CE2 PHE A 42 7.290 7.153 -7.969 1.00 0.00 C ATOM 359 CZ PHE A 42 8.605 6.951 -7.516 1.00 0.00 C ATOM 0 H PHE A 42 7.402 9.575 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 42 4.790 10.656 -4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.521 10.534 -6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.894 11.070 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.823 9.542 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.524 8.383 -7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.174 7.665 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.863 6.487 -8.704 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.189 6.129 -7.904 1.00 0.00 H new ATOM 369 N THR A 43 5.147 7.424 -4.433 1.00 0.00 N ATOM 370 CA THR A 43 4.490 6.115 -4.602 1.00 0.00 C ATOM 371 C THR A 43 3.158 6.049 -3.845 1.00 0.00 C ATOM 372 O THR A 43 2.998 6.661 -2.786 1.00 0.00 O ATOM 373 CB THR A 43 5.420 4.979 -4.142 1.00 0.00 C ATOM 374 OG1 THR A 43 6.678 5.119 -4.766 1.00 0.00 O ATOM 375 CG2 THR A 43 4.879 3.594 -4.512 1.00 0.00 C ATOM 0 H THR A 43 6.050 7.356 -3.963 1.00 0.00 H new ATOM 0 HA THR A 43 4.278 5.990 -5.664 1.00 0.00 H new ATOM 0 HB THR A 43 5.493 5.052 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.271 4.397 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.572 2.828 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.908 3.445 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.771 3.523 -5.594 1.00 0.00 H new ATOM 383 N ARG A 44 2.190 5.303 -4.392 1.00 0.00 N ATOM 384 CA ARG A 44 0.818 5.208 -3.867 1.00 0.00 C ATOM 385 C ARG A 44 0.700 4.100 -2.810 1.00 0.00 C ATOM 386 O ARG A 44 1.534 3.189 -2.759 1.00 0.00 O ATOM 387 CB ARG A 44 -0.123 5.025 -5.072 1.00 0.00 C ATOM 388 CG ARG A 44 -1.574 5.443 -4.788 1.00 0.00 C ATOM 389 CD ARG A 44 -2.394 5.618 -6.076 1.00 0.00 C ATOM 390 NE ARG A 44 -1.997 6.836 -6.813 1.00 0.00 N ATOM 391 CZ ARG A 44 -2.420 7.225 -8.003 1.00 0.00 C ATOM 392 NH1 ARG A 44 -3.288 6.538 -8.689 1.00 0.00 N ATOM 393 NH2 ARG A 44 -1.972 8.328 -8.531 1.00 0.00 N ATOM 0 H ARG A 44 2.339 4.737 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 44 0.532 6.117 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.257 5.608 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.108 3.979 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.049 4.692 -4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.577 6.378 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.259 4.745 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.454 5.671 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.321 7.444 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.664 5.669 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.592 6.869 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.292 8.896 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.301 8.624 -9.450 1.00 0.00 H new ATOM 407 N TYR A 45 -0.326 4.179 -1.962 1.00 0.00 N ATOM 408 CA TYR A 45 -0.508 3.300 -0.802 1.00 0.00 C ATOM 409 C TYR A 45 -1.822 2.514 -0.912 1.00 0.00 C ATOM 410 O TYR A 45 -2.900 3.095 -1.076 1.00 0.00 O ATOM 411 CB TYR A 45 -0.422 4.119 0.501 1.00 0.00 C ATOM 412 CG TYR A 45 0.802 5.017 0.674 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.085 4.600 0.263 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.657 6.281 1.275 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.205 5.435 0.441 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.767 7.135 1.434 1.00 0.00 C ATOM 417 CZ TYR A 45 3.047 6.713 1.021 1.00 0.00 C ATOM 418 OH TYR A 45 4.123 7.527 1.206 1.00 0.00 O ATOM 0 H TYR A 45 -1.070 4.869 -2.063 1.00 0.00 H new ATOM 0 HA TYR A 45 0.296 2.564 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.313 4.743 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.455 3.425 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.210 3.629 -0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.316 6.600 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.184 5.098 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.637 8.113 1.873 1.00 0.00 H new ATOM 0 HH TYR A 45 3.831 8.368 1.616 1.00 0.00 H new ATOM 428 N TYR A 46 -1.736 1.181 -0.851 1.00 0.00 N ATOM 429 CA TYR A 46 -2.859 0.266 -1.110 1.00 0.00 C ATOM 430 C TYR A 46 -3.168 -0.591 0.121 1.00 0.00 C ATOM 431 O TYR A 46 -2.262 -1.179 0.717 1.00 0.00 O ATOM 432 CB TYR A 46 -2.567 -0.613 -2.341 1.00 0.00 C ATOM 433 CG TYR A 46 -2.110 0.108 -3.601 1.00 0.00 C ATOM 434 CD1 TYR A 46 -2.666 1.351 -3.963 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.144 -0.482 -4.438 1.00 0.00 C ATOM 436 CE1 TYR A 46 -2.249 2.001 -5.137 1.00 0.00 C ATOM 437 CE2 TYR A 46 -0.710 0.172 -5.609 1.00 0.00 C ATOM 438 CZ TYR A 46 -1.264 1.420 -5.963 1.00 0.00 C ATOM 439 OH TYR A 46 -0.912 2.045 -7.118 1.00 0.00 O ATOM 0 H TYR A 46 -0.870 0.696 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.744 0.865 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.801 -1.339 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.469 -1.176 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.417 1.807 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.731 -1.446 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.685 2.951 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.045 -0.282 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.586 1.382 -7.762 1.00 0.00 H new ATOM 449 N CYS A 47 -4.443 -0.643 0.519 1.00 0.00 N ATOM 450 CA CYS A 47 -4.912 -1.468 1.630 1.00 0.00 C ATOM 451 C CYS A 47 -4.942 -2.964 1.255 1.00 0.00 C ATOM 452 O CYS A 47 -5.894 -3.454 0.639 1.00 0.00 O ATOM 453 CB CYS A 47 -6.267 -0.962 2.140 1.00 0.00 C ATOM 454 SG CYS A 47 -6.856 -1.882 3.586 1.00 0.00 S ATOM 0 H CYS A 47 -5.185 -0.106 0.071 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.200 -1.376 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.183 0.094 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.004 -1.039 1.340 1.00 0.00 H new ATOM 459 N MET A 48 -3.889 -3.694 1.627 1.00 0.00 N ATOM 460 CA MET A 48 -3.802 -5.155 1.578 1.00 0.00 C ATOM 461 C MET A 48 -4.674 -5.789 2.679 1.00 0.00 C ATOM 462 O MET A 48 -4.192 -6.174 3.747 1.00 0.00 O ATOM 463 CB MET A 48 -2.329 -5.587 1.697 1.00 0.00 C ATOM 464 CG MET A 48 -1.519 -5.320 0.424 1.00 0.00 C ATOM 465 SD MET A 48 -2.012 -6.301 -1.020 1.00 0.00 S ATOM 466 CE MET A 48 -0.573 -6.007 -2.085 1.00 0.00 C ATOM 0 H MET A 48 -3.036 -3.265 1.986 1.00 0.00 H new ATOM 0 HA MET A 48 -4.186 -5.509 0.621 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.868 -5.058 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.286 -6.651 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.605 -4.263 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.467 -5.514 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.703 -6.539 -3.027 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.478 -4.939 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.328 -6.366 -1.587 1.00 0.00 H new ATOM 476 N GLY A 49 -5.982 -5.887 2.424 1.00 0.00 N ATOM 477 CA GLY A 49 -6.976 -6.524 3.298 1.00 0.00 C ATOM 478 C GLY A 49 -7.398 -5.676 4.502 1.00 0.00 C ATOM 479 O GLY A 49 -8.569 -5.313 4.629 1.00 0.00 O ATOM 0 H GLY A 49 -6.395 -5.511 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.861 -6.761 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.571 -7.469 3.659 1.00 0.00 H new ATOM 483 N ASN A 50 -6.447 -5.382 5.394 1.00 0.00 N ATOM 484 CA ASN A 50 -6.668 -4.712 6.680 1.00 0.00 C ATOM 485 C ASN A 50 -5.823 -3.436 6.829 1.00 0.00 C ATOM 486 O ASN A 50 -6.367 -2.368 7.109 1.00 0.00 O ATOM 487 CB ASN A 50 -6.391 -5.704 7.825 1.00 0.00 C ATOM 488 CG ASN A 50 -7.338 -6.894 7.832 1.00 0.00 C ATOM 489 OD1 ASN A 50 -8.550 -6.762 7.932 1.00 0.00 O ATOM 490 ND2 ASN A 50 -6.822 -8.101 7.737 1.00 0.00 N ATOM 0 H ASN A 50 -5.466 -5.612 5.235 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.709 -4.391 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.366 -6.065 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.470 -5.180 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.432 -8.919 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.812 -8.219 7.653 1.00 0.00 H new ATOM 497 N CYS A 51 -4.505 -3.550 6.641 1.00 0.00 N ATOM 498 CA CYS A 51 -3.541 -2.443 6.693 1.00 0.00 C ATOM 499 C CYS A 51 -3.134 -1.998 5.276 1.00 0.00 C ATOM 500 O CYS A 51 -3.419 -2.696 4.301 1.00 0.00 O ATOM 501 CB CYS A 51 -2.293 -2.894 7.470 1.00 0.00 C ATOM 502 SG CYS A 51 -2.574 -3.806 9.015 1.00 0.00 S ATOM 0 H CYS A 51 -4.063 -4.447 6.441 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.009 -1.597 7.196 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.691 -3.520 6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.699 -2.010 7.701 1.00 0.00 H new ATOM 507 N CYS A 52 -2.395 -0.891 5.151 1.00 0.00 N ATOM 508 CA CYS A 52 -1.802 -0.437 3.886 1.00 0.00 C ATOM 509 C CYS A 52 -0.268 -0.323 3.937 1.00 0.00 C ATOM 510 O CYS A 52 0.332 -0.209 5.010 1.00 0.00 O ATOM 511 CB CYS A 52 -2.457 0.879 3.444 1.00 0.00 C ATOM 512 SG CYS A 52 -2.498 2.209 4.675 1.00 0.00 S ATOM 0 H CYS A 52 -2.188 -0.275 5.937 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.007 -1.204 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.930 1.245 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.481 0.665 3.137 1.00 0.00 H new ATOM 517 N LYS A 53 0.360 -0.351 2.752 1.00 0.00 N ATOM 518 CA LYS A 53 1.813 -0.225 2.535 1.00 0.00 C ATOM 519 C LYS A 53 2.119 0.423 1.174 1.00 0.00 C ATOM 520 O LYS A 53 1.216 0.631 0.361 1.00 0.00 O ATOM 521 CB LYS A 53 2.461 -1.624 2.632 1.00 0.00 C ATOM 522 CG LYS A 53 3.811 -1.633 3.363 1.00 0.00 C ATOM 523 CD LYS A 53 4.488 -3.010 3.270 1.00 0.00 C ATOM 524 CE LYS A 53 5.133 -3.250 1.896 1.00 0.00 C ATOM 525 NZ LYS A 53 5.780 -4.587 1.837 1.00 0.00 N ATOM 0 H LYS A 53 -0.153 -0.467 1.878 1.00 0.00 H new ATOM 0 HA LYS A 53 2.231 0.424 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.775 -2.297 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.601 -2.020 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.465 -0.874 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.662 -1.369 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.249 -3.091 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.751 -3.789 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.375 -3.174 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.873 -2.475 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.208 -4.724 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.518 -4.648 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.067 -5.325 2.004 1.00 0.00 H new ATOM 539 N VAL A 54 3.396 0.721 0.928 1.00 0.00 N ATOM 540 CA VAL A 54 3.925 1.231 -0.349 1.00 0.00 C ATOM 541 C VAL A 54 4.057 0.120 -1.401 1.00 0.00 C ATOM 542 O VAL A 54 4.689 -0.907 -1.147 1.00 0.00 O ATOM 543 CB VAL A 54 5.242 1.999 -0.104 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.462 1.135 0.238 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.601 2.859 -1.311 1.00 0.00 C ATOM 0 H VAL A 54 4.122 0.611 1.636 1.00 0.00 H new ATOM 0 HA VAL A 54 3.209 1.937 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 54 5.026 2.602 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.331 1.776 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.264 0.570 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.660 0.444 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.532 3.390 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.724 2.223 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.804 3.579 -1.494 1.00 0.00 H new ATOM 555 N TYR A 55 3.450 0.322 -2.578 1.00 0.00 N ATOM 556 CA TYR A 55 3.444 -0.640 -3.688 1.00 0.00 C ATOM 557 C TYR A 55 3.485 0.079 -5.048 1.00 0.00 C ATOM 558 O TYR A 55 2.526 0.743 -5.445 1.00 0.00 O ATOM 559 CB TYR A 55 2.198 -1.538 -3.595 1.00 0.00 C ATOM 560 CG TYR A 55 2.111 -2.421 -2.361 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.050 -3.451 -2.161 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.100 -2.201 -1.403 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.994 -4.238 -0.995 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.033 -2.999 -0.243 1.00 0.00 C ATOM 565 CZ TYR A 55 1.989 -4.016 -0.035 1.00 0.00 C ATOM 566 OH TYR A 55 1.995 -4.749 1.111 1.00 0.00 O ATOM 0 H TYR A 55 2.938 1.178 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 55 4.338 -1.258 -3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.312 -0.903 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.166 -2.176 -4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.813 -3.637 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.373 -1.417 -1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.726 -5.016 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.252 -2.833 0.484 1.00 0.00 H new ATOM 0 HH TYR A 55 1.240 -4.481 1.675 1.00 0.00 H new ATOM 576 N GLU A 56 4.594 -0.044 -5.782 1.00 0.00 N ATOM 577 CA GLU A 56 4.688 0.400 -7.182 1.00 0.00 C ATOM 578 C GLU A 56 3.964 -0.589 -8.124 1.00 0.00 C ATOM 579 O GLU A 56 4.521 -1.628 -8.497 1.00 0.00 O ATOM 580 CB GLU A 56 6.160 0.544 -7.614 1.00 0.00 C ATOM 581 CG GLU A 56 6.928 1.656 -6.884 1.00 0.00 C ATOM 582 CD GLU A 56 8.293 1.943 -7.554 1.00 0.00 C ATOM 583 OE1 GLU A 56 8.916 1.019 -8.131 1.00 0.00 O ATOM 584 OE2 GLU A 56 8.757 3.108 -7.507 1.00 0.00 O ATOM 0 H GLU A 56 5.456 -0.455 -5.424 1.00 0.00 H new ATOM 0 HA GLU A 56 4.202 1.373 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.670 -0.404 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.194 0.738 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.329 2.566 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.086 1.367 -5.845 1.00 0.00 H new ATOM 591 N GLY A 57 2.721 -0.291 -8.519 1.00 0.00 N ATOM 592 CA GLY A 57 1.970 -1.087 -9.502 1.00 0.00 C ATOM 593 C GLY A 57 0.566 -0.553 -9.808 1.00 0.00 C ATOM 594 O GLY A 57 0.050 0.314 -9.100 1.00 0.00 O ATOM 0 H GLY A 57 2.203 0.513 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.540 -1.128 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.885 -2.110 -9.135 1.00 0.00 H new ATOM 598 N CYS A 58 -0.059 -1.083 -10.863 1.00 0.00 N ATOM 599 CA CYS A 58 -1.406 -0.716 -11.316 1.00 0.00 C ATOM 600 C CYS A 58 -2.486 -1.265 -10.365 1.00 0.00 C ATOM 601 O CYS A 58 -2.828 -2.451 -10.417 1.00 0.00 O ATOM 602 CB CYS A 58 -1.638 -1.229 -12.749 1.00 0.00 C ATOM 603 SG CYS A 58 -0.312 -0.694 -13.877 1.00 0.00 S ATOM 0 H CYS A 58 0.371 -1.802 -11.445 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.482 0.371 -11.311 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.693 -2.318 -12.742 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.597 -0.864 -13.116 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.548 -1.151 -15.071 1.00 0.00 H new ATOM 609 N TYR A 59 -3.030 -0.408 -9.496 1.00 0.00 N ATOM 610 CA TYR A 59 -4.082 -0.749 -8.533 1.00 0.00 C ATOM 611 C TYR A 59 -5.185 0.323 -8.568 1.00 0.00 C ATOM 612 O TYR A 59 -5.062 1.391 -7.964 1.00 0.00 O ATOM 613 CB TYR A 59 -3.458 -0.949 -7.140 1.00 0.00 C ATOM 614 CG TYR A 59 -4.181 -1.891 -6.190 1.00 0.00 C ATOM 615 CD1 TYR A 59 -5.577 -1.811 -6.014 1.00 0.00 C ATOM 616 CD2 TYR A 59 -3.437 -2.827 -5.442 1.00 0.00 C ATOM 617 CE1 TYR A 59 -6.234 -2.684 -5.126 1.00 0.00 C ATOM 618 CE2 TYR A 59 -4.086 -3.688 -4.536 1.00 0.00 C ATOM 619 CZ TYR A 59 -5.488 -3.625 -4.382 1.00 0.00 C ATOM 620 OH TYR A 59 -6.113 -4.466 -3.512 1.00 0.00 O ATOM 0 H TYR A 59 -2.743 0.569 -9.441 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.561 -1.692 -8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.441 -1.317 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.383 0.026 -6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.146 -1.076 -6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.365 -2.884 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.307 -2.634 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.511 -4.397 -3.959 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.890 -5.394 -3.736 1.00 0.00 H new ATOM 630 N THR A 60 -6.257 0.044 -9.313 1.00 0.00 N ATOM 631 CA THR A 60 -7.396 0.950 -9.575 1.00 0.00 C ATOM 632 C THR A 60 -7.977 1.592 -8.305 1.00 0.00 C ATOM 633 O THR A 60 -8.148 2.812 -8.248 1.00 0.00 O ATOM 634 CB THR A 60 -8.501 0.191 -10.335 1.00 0.00 C ATOM 635 OG1 THR A 60 -7.938 -0.483 -11.446 1.00 0.00 O ATOM 636 CG2 THR A 60 -9.595 1.114 -10.877 1.00 0.00 C ATOM 0 H THR A 60 -6.367 -0.859 -9.775 1.00 0.00 H new ATOM 0 HA THR A 60 -7.009 1.768 -10.182 1.00 0.00 H new ATOM 0 HB THR A 60 -8.946 -0.498 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.642 -0.966 -11.927 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.344 0.521 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.067 1.644 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.155 1.835 -11.566 1.00 0.00 H new ATOM 644 N GLY A 61 -8.259 0.786 -7.275 1.00 0.00 N ATOM 645 CA GLY A 61 -8.782 1.223 -5.972 1.00 0.00 C ATOM 646 C GLY A 61 -7.677 1.445 -4.933 1.00 0.00 C ATOM 647 O GLY A 61 -7.472 0.599 -4.061 1.00 0.00 O ATOM 0 H GLY A 61 -8.125 -0.224 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.343 2.148 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.482 0.476 -5.597 1.00 0.00 H new ATOM 651 N GLY A 62 -6.965 2.572 -5.027 1.00 0.00 N ATOM 652 CA GLY A 62 -5.855 2.956 -4.141 1.00 0.00 C ATOM 653 C GLY A 62 -5.947 4.387 -3.588 1.00 0.00 C ATOM 654 O GLY A 62 -6.836 5.153 -3.967 1.00 0.00 O ATOM 0 H GLY A 62 -7.150 3.270 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.817 2.258 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.918 2.851 -4.687 1.00 0.00 H new ATOM 658 N TYR A 63 -5.008 4.754 -2.705 1.00 0.00 N ATOM 659 CA TYR A 63 -4.998 6.029 -1.969 1.00 0.00 C ATOM 660 C TYR A 63 -3.636 6.737 -2.061 1.00 0.00 C ATOM 661 O TYR A 63 -2.583 6.127 -1.865 1.00 0.00 O ATOM 662 CB TYR A 63 -5.337 5.769 -0.495 1.00 0.00 C ATOM 663 CG TYR A 63 -6.640 5.033 -0.235 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.850 5.748 -0.140 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.638 3.632 -0.077 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.058 5.066 0.104 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.843 2.947 0.171 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.058 3.661 0.255 1.00 0.00 C ATOM 669 OH TYR A 63 -10.222 2.989 0.475 1.00 0.00 O ATOM 0 H TYR A 63 -4.213 4.158 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.744 6.681 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.523 5.196 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.373 6.727 0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.851 6.822 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.710 3.083 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.984 5.617 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.838 1.874 0.297 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.036 2.030 0.553 1.00 0.00 H new ATOM 679 N SER A 64 -3.649 8.045 -2.323 1.00 0.00 N ATOM 680 CA SER A 64 -2.454 8.903 -2.398 1.00 0.00 C ATOM 681 C SER A 64 -1.892 9.347 -1.036 1.00 0.00 C ATOM 682 O SER A 64 -0.801 9.924 -0.987 1.00 0.00 O ATOM 683 CB SER A 64 -2.779 10.139 -3.245 1.00 0.00 C ATOM 684 OG SER A 64 -3.892 10.835 -2.700 1.00 0.00 O ATOM 0 H SER A 64 -4.515 8.557 -2.495 1.00 0.00 H new ATOM 0 HA SER A 64 -1.673 8.295 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.913 10.799 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.996 9.838 -4.270 1.00 0.00 H new ATOM 0 HG SER A 64 -4.087 11.622 -3.250 1.00 0.00 H new ATOM 690 N ARG A 65 -2.602 9.082 0.074 1.00 0.00 N ATOM 691 CA ARG A 65 -2.244 9.502 1.443 1.00 0.00 C ATOM 692 C ARG A 65 -2.274 8.340 2.431 1.00 0.00 C ATOM 693 O ARG A 65 -3.202 7.531 2.436 1.00 0.00 O ATOM 694 CB ARG A 65 -3.192 10.620 1.921 1.00 0.00 C ATOM 695 CG ARG A 65 -3.091 11.930 1.125 1.00 0.00 C ATOM 696 CD ARG A 65 -1.740 12.626 1.323 1.00 0.00 C ATOM 697 NE ARG A 65 -1.703 13.913 0.600 1.00 0.00 N ATOM 698 CZ ARG A 65 -0.758 14.834 0.642 1.00 0.00 C ATOM 699 NH1 ARG A 65 0.308 14.704 1.380 1.00 0.00 N ATOM 700 NH2 ARG A 65 -0.868 15.922 -0.068 1.00 0.00 N ATOM 0 H ARG A 65 -3.472 8.551 0.043 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.221 9.877 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.218 10.256 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.984 10.831 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.238 11.721 0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.892 12.602 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.565 12.795 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.937 11.980 0.967 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.501 14.114 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.434 13.869 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.017 15.438 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.687 16.065 -0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.135 16.631 -0.032 1.00 0.00 H new ATOM 714 N MET A 66 -1.275 8.307 3.312 1.00 0.00 N ATOM 715 CA MET A 66 -1.122 7.291 4.360 1.00 0.00 C ATOM 716 C MET A 66 -2.252 7.361 5.402 1.00 0.00 C ATOM 717 O MET A 66 -2.714 6.332 5.898 1.00 0.00 O ATOM 718 CB MET A 66 0.264 7.469 4.998 1.00 0.00 C ATOM 719 CG MET A 66 0.622 6.378 6.016 1.00 0.00 C ATOM 720 SD MET A 66 0.665 4.669 5.395 1.00 0.00 S ATOM 721 CE MET A 66 2.164 4.713 4.373 1.00 0.00 C ATOM 0 H MET A 66 -0.529 9.003 3.319 1.00 0.00 H new ATOM 0 HA MET A 66 -1.196 6.297 3.919 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.018 7.479 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.305 8.440 5.491 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.600 6.612 6.437 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.097 6.426 6.834 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.924 4.386 3.361 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.554 5.730 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.916 4.049 4.801 1.00 0.00 H new ATOM 731 N GLY A 67 -2.758 8.568 5.686 1.00 0.00 N ATOM 732 CA GLY A 67 -3.901 8.765 6.585 1.00 0.00 C ATOM 733 C GLY A 67 -5.213 8.230 6.007 1.00 0.00 C ATOM 734 O GLY A 67 -6.032 7.677 6.741 1.00 0.00 O ATOM 0 H GLY A 67 -2.386 9.435 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.699 8.269 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.010 9.828 6.798 1.00 0.00 H new ATOM 738 N GLU A 68 -5.412 8.371 4.694 1.00 0.00 N ATOM 739 CA GLU A 68 -6.581 7.851 3.974 1.00 0.00 C ATOM 740 C GLU A 68 -6.548 6.323 3.841 1.00 0.00 C ATOM 741 O GLU A 68 -7.554 5.671 4.126 1.00 0.00 O ATOM 742 CB GLU A 68 -6.712 8.504 2.588 1.00 0.00 C ATOM 743 CG GLU A 68 -7.077 9.997 2.650 1.00 0.00 C ATOM 744 CD GLU A 68 -8.431 10.276 3.343 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.408 9.519 3.125 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.522 11.266 4.110 1.00 0.00 O ATOM 0 H GLU A 68 -4.753 8.859 4.088 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.457 8.111 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.771 8.389 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.473 7.975 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.290 10.533 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.108 10.397 1.637 1.00 0.00 H new ATOM 753 N CYS A 69 -5.413 5.728 3.451 1.00 0.00 N ATOM 754 CA CYS A 69 -5.327 4.272 3.266 1.00 0.00 C ATOM 755 C CYS A 69 -5.551 3.485 4.569 1.00 0.00 C ATOM 756 O CYS A 69 -5.991 2.336 4.531 1.00 0.00 O ATOM 757 CB CYS A 69 -4.006 3.894 2.581 1.00 0.00 C ATOM 758 SG CYS A 69 -2.471 3.903 3.544 1.00 0.00 S ATOM 0 H CYS A 69 -4.545 6.229 3.258 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.146 3.982 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.127 2.893 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.868 4.572 1.739 1.00 0.00 H new ATOM 763 N ALA A 70 -5.297 4.122 5.715 1.00 0.00 N ATOM 764 CA ALA A 70 -5.621 3.630 7.043 1.00 0.00 C ATOM 765 C ALA A 70 -7.109 3.829 7.386 1.00 0.00 C ATOM 766 O ALA A 70 -7.822 2.843 7.569 1.00 0.00 O ATOM 767 CB ALA A 70 -4.689 4.335 8.035 1.00 0.00 C ATOM 0 H ALA A 70 -4.840 5.034 5.736 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.464 2.553 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.905 3.989 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.653 4.106 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.846 5.412 7.979 1.00 0.00 H new ATOM 773 N ARG A 71 -7.600 5.079 7.479 1.00 0.00 N ATOM 774 CA ARG A 71 -8.944 5.391 8.022 1.00 0.00 C ATOM 775 C ARG A 71 -10.116 4.801 7.228 1.00 0.00 C ATOM 776 O ARG A 71 -11.166 4.524 7.807 1.00 0.00 O ATOM 777 CB ARG A 71 -9.112 6.909 8.229 1.00 0.00 C ATOM 778 CG ARG A 71 -9.361 7.693 6.927 1.00 0.00 C ATOM 779 CD ARG A 71 -9.319 9.214 7.121 1.00 0.00 C ATOM 780 NE ARG A 71 -7.988 9.677 7.554 1.00 0.00 N ATOM 781 CZ ARG A 71 -7.626 10.915 7.836 1.00 0.00 C ATOM 782 NH1 ARG A 71 -8.419 11.930 7.641 1.00 0.00 N ATOM 783 NH2 ARG A 71 -6.448 11.159 8.337 1.00 0.00 N ATOM 0 H ARG A 71 -7.079 5.904 7.181 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.987 4.889 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.944 7.083 8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.217 7.301 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.612 7.406 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.333 7.412 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.588 9.707 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.064 9.506 7.862 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.267 8.962 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.353 11.781 7.259 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.106 12.873 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.800 10.391 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.174 12.118 8.553 1.00 0.00 H new ATOM 797 N ASN A 72 -9.943 4.593 5.918 1.00 0.00 N ATOM 798 CA ASN A 72 -10.944 3.956 5.052 1.00 0.00 C ATOM 799 C ASN A 72 -10.930 2.409 5.129 1.00 0.00 C ATOM 800 O ASN A 72 -11.815 1.762 4.565 1.00 0.00 O ATOM 801 CB ASN A 72 -10.753 4.453 3.607 1.00 0.00 C ATOM 802 CG ASN A 72 -11.037 5.942 3.451 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.177 6.385 3.423 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.008 6.746 3.339 1.00 0.00 N ATOM 0 H ASN A 72 -9.094 4.865 5.422 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.929 4.249 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.731 4.248 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.411 3.891 2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.154 7.749 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.061 6.368 3.363 1.00 0.00 H new ATOM 811 N CYS A 73 -9.965 1.811 5.840 1.00 0.00 N ATOM 812 CA CYS A 73 -9.816 0.368 6.056 1.00 0.00 C ATOM 813 C CYS A 73 -10.008 -0.040 7.539 1.00 0.00 C ATOM 814 O CYS A 73 -9.994 0.821 8.425 1.00 0.00 O ATOM 815 CB CYS A 73 -8.468 -0.073 5.459 1.00 0.00 C ATOM 816 SG CYS A 73 -8.686 -1.085 3.966 1.00 0.00 S ATOM 0 H CYS A 73 -9.231 2.348 6.302 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.614 -0.165 5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.873 0.808 5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.910 -0.640 6.204 1.00 0.00 H new ATOM 821 N PRO A 74 -10.221 -1.339 7.841 1.00 0.00 N ATOM 822 CA PRO A 74 -10.559 -1.792 9.195 1.00 0.00 C ATOM 823 C PRO A 74 -9.356 -1.828 10.159 1.00 0.00 C ATOM 824 O PRO A 74 -9.562 -1.841 11.376 1.00 0.00 O ATOM 825 CB PRO A 74 -11.180 -3.180 9.005 1.00 0.00 C ATOM 826 CG PRO A 74 -10.472 -3.712 7.763 1.00 0.00 C ATOM 827 CD PRO A 74 -10.291 -2.459 6.907 1.00 0.00 C ATOM 0 HA PRO A 74 -11.243 -1.090 9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.009 -3.820 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.259 -3.122 8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.516 -4.174 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.068 -4.468 7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.383 -2.524 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.123 -2.337 6.213 1.00 0.00 H new ATOM 835 N GLY A 75 -8.120 -1.803 9.634 1.00 0.00 N ATOM 836 CA GLY A 75 -6.846 -1.836 10.380 1.00 0.00 C ATOM 837 C GLY A 75 -6.765 -2.901 11.482 1.00 0.00 C ATOM 838 O GLY A 75 -6.403 -2.539 12.625 1.00 0.00 O ATOM 839 OXT GLY A 75 -7.023 -4.090 11.191 1.00 0.00 O ATOM 0 H GLY A 75 -7.972 -1.757 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.033 -2.004 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.680 -0.857 10.829 1.00 0.00 H new