USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -173:sc= 0 (180deg=-0.0256) USER MOD Single : A 26 GLN : amide:sc= 1.21 K(o=1.2,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.07) USER MOD Single : A 38 CYS SG : rot 77:sc= 0.391 USER MOD Single : A 42 SER OG : rot -47:sc= 0.199 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.018) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.848 K(o=0.85,f=-4.5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0024) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.897 K(o=0.9,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.486 K(o=0.49,f=-0.85) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.139 K(o=0.14,f=-2.1!) USER MOD Single : A 73 THR OG1 : rot 61:sc= 1.78 USER MOD Single : A 78 THR OG1 : rot -67:sc= 0.0168 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.603 -5.335 -15.195 1.00 0.00 N ATOM 92 CA ILE A 7 11.744 -5.558 -13.748 1.00 0.00 C ATOM 93 C ILE A 7 13.161 -5.208 -13.260 1.00 0.00 C ATOM 94 O ILE A 7 14.154 -5.555 -13.906 1.00 0.00 O ATOM 95 CB ILE A 7 11.376 -7.023 -13.401 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.943 -7.399 -13.855 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.519 -7.293 -11.892 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.692 -8.909 -13.939 1.00 0.00 C ATOM 0 HA ILE A 7 11.054 -4.893 -13.228 1.00 0.00 H new ATOM 0 HB ILE A 7 12.081 -7.648 -13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.226 -6.960 -13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.754 -6.955 -14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.254 -8.329 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.550 -7.113 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.855 -6.629 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.667 -9.090 -14.263 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.383 -9.353 -14.655 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.847 -9.359 -12.958 1.00 0.00 H new ATOM 110 N VAL A 8 13.255 -4.575 -12.085 1.00 0.00 N ATOM 111 CA VAL A 8 14.511 -4.180 -11.420 1.00 0.00 C ATOM 112 C VAL A 8 14.541 -4.592 -9.941 1.00 0.00 C ATOM 113 O VAL A 8 13.594 -4.347 -9.192 1.00 0.00 O ATOM 114 CB VAL A 8 14.786 -2.668 -11.580 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.198 -2.329 -13.017 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.617 -1.757 -11.185 1.00 0.00 C ATOM 0 H VAL A 8 12.429 -4.312 -11.547 1.00 0.00 H new ATOM 0 HA VAL A 8 15.313 -4.722 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 8 15.599 -2.470 -10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.385 -1.258 -13.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.105 -2.876 -13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.398 -2.611 -13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.902 -0.715 -11.331 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.751 -1.986 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.366 -1.921 -10.137 1.00 0.00 H new ATOM 126 N LYS A 9 15.640 -5.222 -9.503 1.00 0.00 N ATOM 127 CA LYS A 9 15.881 -5.617 -8.100 1.00 0.00 C ATOM 128 C LYS A 9 16.344 -4.418 -7.267 1.00 0.00 C ATOM 129 O LYS A 9 17.187 -3.647 -7.724 1.00 0.00 O ATOM 130 CB LYS A 9 16.870 -6.801 -8.077 1.00 0.00 C ATOM 131 CG LYS A 9 16.953 -7.562 -6.738 1.00 0.00 C ATOM 132 CD LYS A 9 17.957 -7.030 -5.697 1.00 0.00 C ATOM 133 CE LYS A 9 19.428 -7.035 -6.151 1.00 0.00 C ATOM 134 NZ LYS A 9 19.959 -8.412 -6.358 1.00 0.00 N ATOM 0 H LYS A 9 16.406 -5.479 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 9 14.954 -5.953 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.587 -7.505 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.863 -6.429 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.962 -7.561 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.205 -8.601 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.677 -6.010 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.870 -7.629 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.520 -6.471 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.036 -6.523 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.952 -8.359 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.898 -8.945 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.398 -8.894 -7.089 1.00 0.00 H new ATOM 148 N VAL A 10 15.829 -4.277 -6.047 1.00 0.00 N ATOM 149 CA VAL A 10 16.089 -3.156 -5.122 1.00 0.00 C ATOM 150 C VAL A 10 16.281 -3.627 -3.674 1.00 0.00 C ATOM 151 O VAL A 10 15.839 -4.716 -3.305 1.00 0.00 O ATOM 152 CB VAL A 10 14.960 -2.103 -5.188 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.839 -1.496 -6.590 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.592 -2.657 -4.764 1.00 0.00 C ATOM 0 H VAL A 10 15.190 -4.967 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 10 17.022 -2.697 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 10 15.246 -1.330 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.035 -0.760 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.778 -1.012 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.618 -2.284 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.843 -1.868 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.313 -3.480 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.648 -3.016 -3.736 1.00 0.00 H new ATOM 164 N ALA A 11 16.910 -2.787 -2.846 1.00 0.00 N ATOM 165 CA ALA A 11 17.043 -2.980 -1.398 1.00 0.00 C ATOM 166 C ALA A 11 16.400 -1.805 -0.640 1.00 0.00 C ATOM 167 O ALA A 11 16.840 -0.665 -0.790 1.00 0.00 O ATOM 168 CB ALA A 11 18.531 -3.131 -1.050 1.00 0.00 C ATOM 0 H ALA A 11 17.354 -1.929 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 11 16.519 -3.886 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.640 -3.275 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.942 -3.993 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.068 -2.232 -1.352 1.00 0.00 H new ATOM 174 N ILE A 12 15.355 -2.059 0.151 1.00 0.00 N ATOM 175 CA ILE A 12 14.533 -1.016 0.786 1.00 0.00 C ATOM 176 C ILE A 12 14.850 -0.901 2.281 1.00 0.00 C ATOM 177 O ILE A 12 14.783 -1.880 3.021 1.00 0.00 O ATOM 178 CB ILE A 12 13.029 -1.269 0.543 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.708 -1.448 -0.961 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.184 -0.112 1.122 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.377 -2.159 -1.180 1.00 0.00 C ATOM 0 H ILE A 12 15.049 -3.006 0.374 1.00 0.00 H new ATOM 0 HA ILE A 12 14.783 -0.061 0.323 1.00 0.00 H new ATOM 0 HB ILE A 12 12.773 -2.197 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.681 -0.472 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.506 -2.018 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.127 -0.308 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.360 -0.034 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.468 0.823 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.192 -2.263 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.412 -3.146 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.574 -1.576 -0.728 1.00 0.00 H new ATOM 193 N GLU A 13 15.168 0.308 2.728 1.00 0.00 N ATOM 194 CA GLU A 13 15.420 0.668 4.129 1.00 0.00 C ATOM 195 C GLU A 13 14.128 0.972 4.910 1.00 0.00 C ATOM 196 O GLU A 13 13.217 1.629 4.395 1.00 0.00 O ATOM 197 CB GLU A 13 16.350 1.895 4.194 1.00 0.00 C ATOM 198 CG GLU A 13 17.782 1.639 3.691 1.00 0.00 C ATOM 199 CD GLU A 13 18.649 0.789 4.645 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.835 0.548 4.311 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.179 0.373 5.732 1.00 0.00 O ATOM 0 H GLU A 13 15.263 1.105 2.099 1.00 0.00 H new ATOM 0 HA GLU A 13 15.890 -0.197 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.910 2.700 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.398 2.244 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.731 1.139 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.274 2.598 3.529 1.00 0.00 H new ATOM 208 N TRP A 14 14.089 0.558 6.180 1.00 0.00 N ATOM 209 CA TRP A 14 13.063 0.913 7.172 1.00 0.00 C ATOM 210 C TRP A 14 13.633 0.791 8.606 1.00 0.00 C ATOM 211 O TRP A 14 14.425 -0.129 8.849 1.00 0.00 O ATOM 212 CB TRP A 14 11.831 0.016 6.991 1.00 0.00 C ATOM 213 CG TRP A 14 10.705 0.278 7.942 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.355 -0.509 8.984 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.809 1.431 7.999 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.309 0.069 9.677 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.945 1.280 9.127 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.683 2.619 7.249 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.998 2.252 9.482 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.744 3.606 7.602 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.900 3.424 8.713 1.00 0.00 C ATOM 0 H TRP A 14 14.802 -0.061 6.564 1.00 0.00 H new ATOM 0 HA TRP A 14 12.762 1.949 7.019 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.461 0.136 5.973 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.140 -1.024 7.097 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.823 -1.449 9.237 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.862 -0.348 10.493 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.318 2.774 6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.353 2.102 10.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.671 4.510 7.016 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.178 4.184 8.974 1.00 0.00 H new ATOM 232 N PRO A 15 13.285 1.674 9.571 1.00 0.00 N ATOM 233 CA PRO A 15 13.876 1.655 10.913 1.00 0.00 C ATOM 234 C PRO A 15 13.582 0.372 11.708 1.00 0.00 C ATOM 235 O PRO A 15 12.497 -0.208 11.613 1.00 0.00 O ATOM 236 CB PRO A 15 13.337 2.899 11.634 1.00 0.00 C ATOM 237 CG PRO A 15 12.981 3.840 10.486 1.00 0.00 C ATOM 238 CD PRO A 15 12.458 2.865 9.437 1.00 0.00 C ATOM 0 HA PRO A 15 14.963 1.668 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.467 2.664 12.247 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.084 3.336 12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.227 4.572 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.847 4.398 10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.406 2.634 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.536 3.287 8.435 1.00 0.00 H new ATOM 246 N GLY A 16 14.547 -0.059 12.527 1.00 0.00 N ATOM 247 CA GLY A 16 14.422 -1.234 13.404 1.00 0.00 C ATOM 248 C GLY A 16 14.420 -2.598 12.689 1.00 0.00 C ATOM 249 O GLY A 16 14.090 -3.607 13.315 1.00 0.00 O ATOM 0 H GLY A 16 15.453 0.404 12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.244 -1.220 14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.499 -1.142 13.976 1.00 0.00 H new ATOM 253 N ALA A 17 14.775 -2.643 11.400 1.00 0.00 N ATOM 254 CA ALA A 17 14.777 -3.847 10.564 1.00 0.00 C ATOM 255 C ALA A 17 15.950 -3.870 9.564 1.00 0.00 C ATOM 256 O ALA A 17 16.511 -2.831 9.203 1.00 0.00 O ATOM 257 CB ALA A 17 13.427 -3.939 9.838 1.00 0.00 C ATOM 0 H ALA A 17 15.080 -1.812 10.893 1.00 0.00 H new ATOM 0 HA ALA A 17 14.916 -4.717 11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.411 -4.830 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.623 -3.997 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.287 -3.055 9.216 1.00 0.00 H new ATOM 263 N TYR A 18 16.307 -5.069 9.094 1.00 0.00 N ATOM 264 CA TYR A 18 17.248 -5.265 7.985 1.00 0.00 C ATOM 265 C TYR A 18 16.637 -4.816 6.636 1.00 0.00 C ATOM 266 O TYR A 18 15.407 -4.837 6.496 1.00 0.00 O ATOM 267 CB TYR A 18 17.667 -6.742 7.927 1.00 0.00 C ATOM 268 CG TYR A 18 18.351 -7.246 9.187 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.660 -8.082 10.087 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.682 -6.871 9.458 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.294 -8.538 11.260 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.320 -7.326 10.629 1.00 0.00 C ATOM 273 CZ TYR A 18 19.629 -8.160 11.534 1.00 0.00 C ATOM 274 OH TYR A 18 20.253 -8.595 12.663 1.00 0.00 O ATOM 0 H TYR A 18 15.946 -5.943 9.477 1.00 0.00 H new ATOM 0 HA TYR A 18 18.127 -4.646 8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.783 -7.351 7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.339 -6.884 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.642 -8.374 9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.214 -6.234 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.761 -9.176 11.949 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.340 -7.036 10.834 1.00 0.00 H new ATOM 0 HH TYR A 18 21.166 -8.240 12.690 1.00 0.00 H new ATOM 284 N PRO A 19 17.449 -4.443 5.623 1.00 0.00 N ATOM 285 CA PRO A 19 16.944 -4.022 4.316 1.00 0.00 C ATOM 286 C PRO A 19 16.109 -5.111 3.624 1.00 0.00 C ATOM 287 O PRO A 19 16.548 -6.258 3.495 1.00 0.00 O ATOM 288 CB PRO A 19 18.174 -3.637 3.482 1.00 0.00 C ATOM 289 CG PRO A 19 19.220 -3.291 4.540 1.00 0.00 C ATOM 290 CD PRO A 19 18.895 -4.261 5.674 1.00 0.00 C ATOM 0 HA PRO A 19 16.262 -3.179 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.502 -4.459 2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.968 -2.790 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.234 -3.432 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.141 -2.253 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.416 -5.209 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.207 -3.858 6.638 1.00 0.00 H new ATOM 298 N LYS A 20 14.911 -4.750 3.149 1.00 0.00 N ATOM 299 CA LYS A 20 14.030 -5.639 2.377 1.00 0.00 C ATOM 300 C LYS A 20 14.491 -5.695 0.920 1.00 0.00 C ATOM 301 O LYS A 20 14.310 -4.738 0.167 1.00 0.00 O ATOM 302 CB LYS A 20 12.566 -5.186 2.537 1.00 0.00 C ATOM 303 CG LYS A 20 11.586 -5.964 1.647 1.00 0.00 C ATOM 304 CD LYS A 20 10.125 -5.660 2.022 1.00 0.00 C ATOM 305 CE LYS A 20 9.115 -6.275 1.037 1.00 0.00 C ATOM 306 NZ LYS A 20 9.179 -7.762 0.989 1.00 0.00 N ATOM 0 H LYS A 20 14.519 -3.819 3.291 1.00 0.00 H new ATOM 0 HA LYS A 20 14.089 -6.658 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.269 -5.302 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.494 -4.124 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.757 -5.705 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.773 -7.033 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.926 -6.040 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.981 -4.580 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.108 -5.969 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.300 -5.877 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.477 -8.118 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.130 -8.059 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.975 -8.149 1.932 1.00 0.00 H new ATOM 320 N LEU A 21 15.091 -6.818 0.527 1.00 0.00 N ATOM 321 CA LEU A 21 15.394 -7.129 -0.872 1.00 0.00 C ATOM 322 C LEU A 21 14.106 -7.556 -1.590 1.00 0.00 C ATOM 323 O LEU A 21 13.424 -8.482 -1.142 1.00 0.00 O ATOM 324 CB LEU A 21 16.467 -8.233 -0.943 1.00 0.00 C ATOM 325 CG LEU A 21 17.865 -7.777 -0.480 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.756 -8.989 -0.214 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.550 -6.913 -1.542 1.00 0.00 C ATOM 0 H LEU A 21 15.384 -7.547 1.178 1.00 0.00 H new ATOM 0 HA LEU A 21 15.789 -6.244 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.149 -9.075 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.535 -8.594 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 21 17.727 -7.194 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.740 -8.653 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.307 -9.607 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.857 -9.574 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.533 -6.608 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.660 -7.487 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.944 -6.028 -1.737 1.00 0.00 H new ATOM 339 N MET A 22 13.769 -6.892 -2.699 1.00 0.00 N ATOM 340 CA MET A 22 12.616 -7.241 -3.541 1.00 0.00 C ATOM 341 C MET A 22 12.809 -6.791 -4.997 1.00 0.00 C ATOM 342 O MET A 22 13.812 -6.168 -5.341 1.00 0.00 O ATOM 343 CB MET A 22 11.316 -6.685 -2.927 1.00 0.00 C ATOM 344 CG MET A 22 11.073 -5.188 -3.134 1.00 0.00 C ATOM 345 SD MET A 22 9.469 -4.658 -2.475 1.00 0.00 S ATOM 346 CE MET A 22 8.338 -5.263 -3.754 1.00 0.00 C ATOM 0 H MET A 22 14.293 -6.088 -3.043 1.00 0.00 H new ATOM 0 HA MET A 22 12.535 -8.328 -3.569 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.473 -7.233 -3.348 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.325 -6.888 -1.856 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.868 -4.622 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.121 -4.957 -4.198 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.330 -4.903 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.662 -4.898 -4.729 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.340 -6.353 -3.756 1.00 0.00 H new ATOM 356 N GLU A 23 11.837 -7.089 -5.858 1.00 0.00 N ATOM 357 CA GLU A 23 11.818 -6.658 -7.260 1.00 0.00 C ATOM 358 C GLU A 23 10.653 -5.699 -7.528 1.00 0.00 C ATOM 359 O GLU A 23 9.490 -6.015 -7.264 1.00 0.00 O ATOM 360 CB GLU A 23 11.769 -7.879 -8.187 1.00 0.00 C ATOM 361 CG GLU A 23 13.135 -8.574 -8.274 1.00 0.00 C ATOM 362 CD GLU A 23 13.103 -9.867 -9.115 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.089 -10.135 -9.845 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.120 -10.644 -9.037 1.00 0.00 O ATOM 0 H GLU A 23 11.024 -7.647 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 23 12.737 -6.110 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.023 -8.585 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.453 -7.569 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.860 -7.884 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.481 -8.811 -7.268 1.00 0.00 H new ATOM 371 N ILE A 24 10.977 -4.527 -8.076 1.00 0.00 N ATOM 372 CA ILE A 24 10.012 -3.557 -8.599 1.00 0.00 C ATOM 373 C ILE A 24 9.748 -3.904 -10.064 1.00 0.00 C ATOM 374 O ILE A 24 10.604 -3.727 -10.934 1.00 0.00 O ATOM 375 CB ILE A 24 10.518 -2.110 -8.381 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.471 -1.816 -6.864 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.701 -1.068 -9.173 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.946 -0.418 -6.462 1.00 0.00 C ATOM 0 H ILE A 24 11.944 -4.217 -8.171 1.00 0.00 H new ATOM 0 HA ILE A 24 9.065 -3.610 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 24 11.538 -2.031 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.447 -1.950 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.084 -2.554 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.100 -0.072 -8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.767 -1.288 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.658 -1.108 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.876 -0.307 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.981 -0.282 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.320 0.332 -6.945 1.00 0.00 H new ATOM 390 N ASP A 25 8.552 -4.422 -10.334 1.00 0.00 N ATOM 391 CA ASP A 25 8.054 -4.612 -11.693 1.00 0.00 C ATOM 392 C ASP A 25 7.501 -3.289 -12.232 1.00 0.00 C ATOM 393 O ASP A 25 6.489 -2.782 -11.745 1.00 0.00 O ATOM 394 CB ASP A 25 6.993 -5.719 -11.705 1.00 0.00 C ATOM 395 CG ASP A 25 6.463 -6.047 -13.109 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.614 -6.962 -13.221 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.892 -5.397 -14.088 1.00 0.00 O ATOM 0 H ASP A 25 7.898 -4.723 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 25 8.869 -4.923 -12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.417 -6.622 -11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.158 -5.418 -11.072 1.00 0.00 H new ATOM 402 N GLN A 26 8.145 -2.734 -13.258 1.00 0.00 N ATOM 403 CA GLN A 26 7.730 -1.461 -13.858 1.00 0.00 C ATOM 404 C GLN A 26 6.380 -1.546 -14.608 1.00 0.00 C ATOM 405 O GLN A 26 5.801 -0.504 -14.923 1.00 0.00 O ATOM 406 CB GLN A 26 8.859 -0.869 -14.718 1.00 0.00 C ATOM 407 CG GLN A 26 10.215 -0.678 -13.998 1.00 0.00 C ATOM 408 CD GLN A 26 10.277 0.487 -13.005 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.325 0.832 -12.316 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.415 1.138 -12.888 1.00 0.00 N ATOM 0 H GLN A 26 8.966 -3.150 -13.697 1.00 0.00 H new ATOM 0 HA GLN A 26 7.544 -0.767 -13.038 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.014 -1.518 -15.580 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.532 0.098 -15.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.457 -1.598 -13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.989 -0.532 -14.751 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.219 0.865 -13.453 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.493 1.915 -12.232 1.00 0.00 H new ATOM 419 N LYS A 27 5.833 -2.754 -14.850 1.00 0.00 N ATOM 420 CA LYS A 27 4.457 -2.950 -15.352 1.00 0.00 C ATOM 421 C LYS A 27 3.389 -2.757 -14.258 1.00 0.00 C ATOM 422 O LYS A 27 2.291 -2.283 -14.555 1.00 0.00 O ATOM 423 CB LYS A 27 4.283 -4.358 -15.956 1.00 0.00 C ATOM 424 CG LYS A 27 5.319 -4.819 -16.995 1.00 0.00 C ATOM 425 CD LYS A 27 5.504 -3.902 -18.210 1.00 0.00 C ATOM 426 CE LYS A 27 6.400 -4.663 -19.194 1.00 0.00 C ATOM 427 NZ LYS A 27 6.871 -3.828 -20.323 1.00 0.00 N ATOM 0 H LYS A 27 6.337 -3.628 -14.702 1.00 0.00 H new ATOM 0 HA LYS A 27 4.311 -2.188 -16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.285 -5.078 -15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.298 -4.405 -16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.282 -4.927 -16.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.032 -5.808 -17.351 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.543 -3.662 -18.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.963 -2.958 -17.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.263 -5.058 -18.658 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.851 -5.518 -19.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.471 -4.400 -20.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.052 -3.472 -20.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.421 -3.025 -19.955 1.00 0.00 H new ATOM 441 N LYS A 28 3.684 -3.140 -13.004 1.00 0.00 N ATOM 442 CA LYS A 28 2.762 -3.066 -11.848 1.00 0.00 C ATOM 443 C LYS A 28 2.637 -1.632 -11.309 1.00 0.00 C ATOM 444 O LYS A 28 3.639 -0.915 -11.298 1.00 0.00 O ATOM 445 CB LYS A 28 3.234 -4.010 -10.722 1.00 0.00 C ATOM 446 CG LYS A 28 2.870 -5.475 -11.000 1.00 0.00 C ATOM 447 CD LYS A 28 3.430 -6.451 -9.953 1.00 0.00 C ATOM 448 CE LYS A 28 2.954 -6.174 -8.521 1.00 0.00 C ATOM 449 NZ LYS A 28 3.494 -7.188 -7.581 1.00 0.00 N ATOM 0 H LYS A 28 4.597 -3.522 -12.755 1.00 0.00 H new ATOM 0 HA LYS A 28 1.778 -3.381 -12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.314 -3.922 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.786 -3.699 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.785 -5.572 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.245 -5.755 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.145 -7.466 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.519 -6.408 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.274 -5.179 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.865 -6.183 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.379 -6.851 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.978 -8.083 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.504 -7.341 -7.778 1.00 0.00 H new ATOM 463 N PRO A 29 1.458 -1.204 -10.818 1.00 0.00 N ATOM 464 CA PRO A 29 1.281 0.111 -10.199 1.00 0.00 C ATOM 465 C PRO A 29 2.057 0.212 -8.886 1.00 0.00 C ATOM 466 O PRO A 29 2.089 -0.736 -8.096 1.00 0.00 O ATOM 467 CB PRO A 29 -0.225 0.251 -9.950 1.00 0.00 C ATOM 468 CG PRO A 29 -0.709 -1.189 -9.813 1.00 0.00 C ATOM 469 CD PRO A 29 0.234 -1.988 -10.708 1.00 0.00 C ATOM 0 HA PRO A 29 1.661 0.906 -10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.429 0.829 -9.048 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.721 0.762 -10.775 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.660 -1.529 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.746 -1.293 -10.134 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.438 -2.969 -10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.210 -2.155 -11.689 1.00 0.00 H new ATOM 477 N LEU A 30 2.626 1.386 -8.611 1.00 0.00 N ATOM 478 CA LEU A 30 3.341 1.636 -7.359 1.00 0.00 C ATOM 479 C LEU A 30 2.449 1.436 -6.131 1.00 0.00 C ATOM 480 O LEU A 30 2.942 0.949 -5.124 1.00 0.00 O ATOM 481 CB LEU A 30 3.908 3.062 -7.366 1.00 0.00 C ATOM 482 CG LEU A 30 5.124 3.219 -8.289 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.320 4.702 -8.565 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.403 2.656 -7.667 1.00 0.00 C ATOM 0 H LEU A 30 2.605 2.185 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 30 4.152 0.911 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.128 3.756 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.191 3.340 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 30 4.933 2.660 -9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.180 4.840 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.429 5.103 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.492 5.227 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.234 2.791 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.617 3.181 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.271 1.594 -7.462 1.00 0.00 H new ATOM 496 N SER A 31 1.148 1.725 -6.206 1.00 0.00 N ATOM 497 CA SER A 31 0.206 1.496 -5.097 1.00 0.00 C ATOM 498 C SER A 31 0.161 0.025 -4.656 1.00 0.00 C ATOM 499 O SER A 31 0.174 -0.260 -3.456 1.00 0.00 O ATOM 500 CB SER A 31 -1.202 1.949 -5.502 1.00 0.00 C ATOM 501 OG SER A 31 -1.185 3.297 -5.948 1.00 0.00 O ATOM 0 H SER A 31 0.713 2.125 -7.037 1.00 0.00 H new ATOM 0 HA SER A 31 0.563 2.083 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.584 1.304 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.880 1.849 -4.654 1.00 0.00 H new ATOM 0 HG SER A 31 -2.091 3.568 -6.204 1.00 0.00 H new ATOM 507 N ALA A 32 0.171 -0.918 -5.609 1.00 0.00 N ATOM 508 CA ALA A 32 0.228 -2.353 -5.314 1.00 0.00 C ATOM 509 C ALA A 32 1.605 -2.783 -4.770 1.00 0.00 C ATOM 510 O ALA A 32 1.680 -3.566 -3.821 1.00 0.00 O ATOM 511 CB ALA A 32 -0.134 -3.129 -6.588 1.00 0.00 C ATOM 0 H ALA A 32 0.140 -0.705 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.490 -2.579 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.096 -4.199 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.140 -2.855 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.576 -2.884 -7.377 1.00 0.00 H new ATOM 517 N ILE A 33 2.692 -2.237 -5.326 1.00 0.00 N ATOM 518 CA ILE A 33 4.062 -2.522 -4.867 1.00 0.00 C ATOM 519 C ILE A 33 4.270 -1.986 -3.442 1.00 0.00 C ATOM 520 O ILE A 33 4.742 -2.719 -2.582 1.00 0.00 O ATOM 521 CB ILE A 33 5.103 -1.949 -5.857 1.00 0.00 C ATOM 522 CG1 ILE A 33 4.920 -2.580 -7.259 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.540 -2.185 -5.350 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.804 -1.968 -8.348 1.00 0.00 C ATOM 0 H ILE A 33 2.650 -1.584 -6.108 1.00 0.00 H new ATOM 0 HA ILE A 33 4.206 -3.602 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 33 4.941 -0.874 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.131 -3.647 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.876 -2.479 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.251 -1.772 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.670 -1.695 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.716 -3.255 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.612 -2.469 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.578 -0.906 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.853 -2.093 -8.078 1.00 0.00 H new ATOM 536 N ILE A 34 3.865 -0.746 -3.149 1.00 0.00 N ATOM 537 CA ILE A 34 3.971 -0.113 -1.824 1.00 0.00 C ATOM 538 C ILE A 34 3.181 -0.904 -0.774 1.00 0.00 C ATOM 539 O ILE A 34 3.692 -1.097 0.332 1.00 0.00 O ATOM 540 CB ILE A 34 3.534 1.372 -1.896 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.581 2.204 -2.677 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.342 1.991 -0.497 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.021 3.519 -3.238 1.00 0.00 C ATOM 0 H ILE A 34 3.441 -0.134 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 34 5.015 -0.128 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 34 2.575 1.395 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.421 2.427 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.971 1.604 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.036 3.032 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.574 1.438 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.281 1.941 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.808 4.051 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.200 3.303 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.657 4.139 -2.418 1.00 0.00 H new ATOM 555 N LYS A 35 1.998 -1.444 -1.112 1.00 0.00 N ATOM 556 CA LYS A 35 1.284 -2.387 -0.239 1.00 0.00 C ATOM 557 C LYS A 35 2.146 -3.608 0.095 1.00 0.00 C ATOM 558 O LYS A 35 2.267 -3.961 1.263 1.00 0.00 O ATOM 559 CB LYS A 35 -0.055 -2.794 -0.872 1.00 0.00 C ATOM 560 CG LYS A 35 -0.853 -3.687 0.087 1.00 0.00 C ATOM 561 CD LYS A 35 -2.193 -4.112 -0.519 1.00 0.00 C ATOM 562 CE LYS A 35 -2.989 -4.991 0.458 1.00 0.00 C ATOM 563 NZ LYS A 35 -2.344 -6.310 0.701 1.00 0.00 N ATOM 0 H LYS A 35 1.516 -1.242 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 35 1.072 -1.883 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.634 -1.903 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.124 -3.324 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.267 -4.573 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.029 -3.153 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.776 -3.228 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.019 -4.659 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.099 -4.465 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.992 -5.149 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.970 -6.901 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.169 -6.784 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.441 -6.169 1.197 1.00 0.00 H new ATOM 577 N GLU A 36 2.790 -4.216 -0.898 1.00 0.00 N ATOM 578 CA GLU A 36 3.687 -5.360 -0.727 1.00 0.00 C ATOM 579 C GLU A 36 4.981 -5.013 0.042 1.00 0.00 C ATOM 580 O GLU A 36 5.504 -5.870 0.758 1.00 0.00 O ATOM 581 CB GLU A 36 3.973 -5.935 -2.123 1.00 0.00 C ATOM 582 CG GLU A 36 2.771 -6.732 -2.658 1.00 0.00 C ATOM 583 CD GLU A 36 2.953 -7.199 -4.114 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.423 -8.275 -4.479 1.00 0.00 O ATOM 585 OE2 GLU A 36 3.599 -6.498 -4.929 1.00 0.00 O ATOM 0 H GLU A 36 2.701 -3.920 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 36 3.200 -6.109 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.209 -5.123 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.850 -6.581 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.608 -7.602 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.875 -6.115 -2.590 1.00 0.00 H new ATOM 592 N VAL A 37 5.474 -3.765 -0.021 1.00 0.00 N ATOM 593 CA VAL A 37 6.559 -3.291 0.861 1.00 0.00 C ATOM 594 C VAL A 37 6.068 -3.233 2.313 1.00 0.00 C ATOM 595 O VAL A 37 6.693 -3.816 3.199 1.00 0.00 O ATOM 596 CB VAL A 37 7.130 -1.909 0.473 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.361 -1.603 1.333 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.599 -1.791 -0.975 1.00 0.00 C ATOM 0 H VAL A 37 5.137 -3.061 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 37 7.368 -4.012 0.745 1.00 0.00 H new ATOM 0 HB VAL A 37 6.301 -1.218 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.763 -0.628 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.077 -1.595 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.120 -2.368 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.983 -0.786 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.388 -2.519 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.761 -1.983 -1.646 1.00 0.00 H new ATOM 608 N CYS A 38 4.936 -2.560 2.556 1.00 0.00 N ATOM 609 CA CYS A 38 4.363 -2.379 3.894 1.00 0.00 C ATOM 610 C CYS A 38 3.989 -3.722 4.541 1.00 0.00 C ATOM 611 O CYS A 38 4.349 -3.973 5.691 1.00 0.00 O ATOM 612 CB CYS A 38 3.149 -1.438 3.820 1.00 0.00 C ATOM 613 SG CYS A 38 3.636 0.209 3.228 1.00 0.00 S ATOM 0 H CYS A 38 4.386 -2.120 1.818 1.00 0.00 H new ATOM 0 HA CYS A 38 5.121 -1.924 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.397 -1.860 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.690 -1.353 4.805 1.00 0.00 H new ATOM 0 HG CYS A 38 3.820 0.171 1.942 1.00 0.00 H new ATOM 619 N ASP A 39 3.356 -4.627 3.787 1.00 0.00 N ATOM 620 CA ASP A 39 3.042 -6.001 4.201 1.00 0.00 C ATOM 621 C ASP A 39 4.296 -6.817 4.573 1.00 0.00 C ATOM 622 O ASP A 39 4.231 -7.668 5.461 1.00 0.00 O ATOM 623 CB ASP A 39 2.258 -6.709 3.076 1.00 0.00 C ATOM 624 CG ASP A 39 0.790 -6.265 2.918 1.00 0.00 C ATOM 625 OD1 ASP A 39 0.225 -5.602 3.819 1.00 0.00 O ATOM 626 OD2 ASP A 39 0.161 -6.648 1.901 1.00 0.00 O ATOM 0 H ASP A 39 3.037 -4.418 2.841 1.00 0.00 H new ATOM 0 HA ASP A 39 2.433 -5.939 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.776 -6.539 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.278 -7.783 3.262 1.00 0.00 H new ATOM 631 N GLY A 40 5.455 -6.515 3.971 1.00 0.00 N ATOM 632 CA GLY A 40 6.752 -7.105 4.325 1.00 0.00 C ATOM 633 C GLY A 40 7.225 -6.793 5.756 1.00 0.00 C ATOM 634 O GLY A 40 7.982 -7.576 6.332 1.00 0.00 O ATOM 0 H GLY A 40 5.517 -5.840 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.690 -8.186 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.504 -6.748 3.621 1.00 0.00 H new ATOM 638 N TRP A 41 6.733 -5.700 6.350 1.00 0.00 N ATOM 639 CA TRP A 41 6.936 -5.313 7.754 1.00 0.00 C ATOM 640 C TRP A 41 5.622 -5.262 8.569 1.00 0.00 C ATOM 641 O TRP A 41 5.594 -4.726 9.679 1.00 0.00 O ATOM 642 CB TRP A 41 7.725 -3.995 7.793 1.00 0.00 C ATOM 643 CG TRP A 41 9.144 -4.078 7.307 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.105 -4.874 7.833 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.791 -3.346 6.218 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.290 -4.693 7.145 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.160 -3.748 6.154 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.366 -2.375 5.285 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.062 -3.210 5.227 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.267 -1.826 4.351 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.607 -2.240 4.320 1.00 0.00 C ATOM 0 H TRP A 41 6.156 -5.029 5.843 1.00 0.00 H new ATOM 0 HA TRP A 41 7.521 -6.087 8.251 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.195 -3.256 7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.731 -3.625 8.818 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.966 -5.549 8.665 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.153 -5.197 7.347 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.336 -2.049 5.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.091 -3.536 5.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.922 -1.079 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.288 -1.813 3.599 1.00 0.00 H new ATOM 662 N SER A 42 4.528 -5.824 8.035 1.00 0.00 N ATOM 663 CA SER A 42 3.172 -5.817 8.620 1.00 0.00 C ATOM 664 C SER A 42 2.621 -4.405 8.938 1.00 0.00 C ATOM 665 O SER A 42 1.818 -4.219 9.859 1.00 0.00 O ATOM 666 CB SER A 42 3.103 -6.797 9.804 1.00 0.00 C ATOM 667 OG SER A 42 1.765 -7.095 10.170 1.00 0.00 O ATOM 0 H SER A 42 4.562 -6.319 7.144 1.00 0.00 H new ATOM 0 HA SER A 42 2.486 -6.175 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.621 -7.719 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.626 -6.370 10.659 1.00 0.00 H new ATOM 0 HG SER A 42 1.250 -6.264 10.231 1.00 0.00 H new ATOM 673 N LEU A 43 3.061 -3.389 8.188 1.00 0.00 N ATOM 674 CA LEU A 43 2.646 -1.989 8.329 1.00 0.00 C ATOM 675 C LEU A 43 1.226 -1.766 7.785 1.00 0.00 C ATOM 676 O LEU A 43 0.933 -2.071 6.625 1.00 0.00 O ATOM 677 CB LEU A 43 3.668 -1.081 7.615 1.00 0.00 C ATOM 678 CG LEU A 43 5.029 -0.990 8.332 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.065 -0.375 7.396 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.963 -0.139 9.601 1.00 0.00 C ATOM 0 H LEU A 43 3.740 -3.524 7.439 1.00 0.00 H new ATOM 0 HA LEU A 43 2.621 -1.733 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.826 -1.454 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.248 -0.079 7.524 1.00 0.00 H new ATOM 0 HG LEU A 43 5.308 -2.006 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.026 -0.313 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.167 -0.997 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.744 0.625 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.947 -0.106 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.649 0.873 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.245 -0.576 10.295 1.00 0.00 H new ATOM 692 N ALA A 44 0.347 -1.209 8.622 1.00 0.00 N ATOM 693 CA ALA A 44 -1.010 -0.809 8.253 1.00 0.00 C ATOM 694 C ALA A 44 -1.038 0.495 7.427 1.00 0.00 C ATOM 695 O ALA A 44 -0.080 1.274 7.428 1.00 0.00 O ATOM 696 CB ALA A 44 -1.837 -0.678 9.541 1.00 0.00 C ATOM 0 H ALA A 44 0.567 -1.020 9.600 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.442 -1.573 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.855 -0.380 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.857 -1.636 10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.387 0.075 10.187 1.00 0.00 H new ATOM 702 N ASN A 45 -2.172 0.752 6.766 1.00 0.00 N ATOM 703 CA ASN A 45 -2.472 1.988 6.027 1.00 0.00 C ATOM 704 C ASN A 45 -1.410 2.357 4.968 1.00 0.00 C ATOM 705 O ASN A 45 -0.903 3.480 4.937 1.00 0.00 O ATOM 706 CB ASN A 45 -2.791 3.133 7.011 1.00 0.00 C ATOM 707 CG ASN A 45 -3.890 2.794 8.005 1.00 0.00 C ATOM 708 OD1 ASN A 45 -4.966 2.332 7.649 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.658 2.993 9.284 1.00 0.00 N ATOM 0 H ASN A 45 -2.938 0.079 6.728 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.367 1.804 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.885 3.393 7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.085 4.016 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.373 2.763 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.763 3.378 9.586 1.00 0.00 H new ATOM 716 N HIS A 46 -1.087 1.420 4.067 1.00 0.00 N ATOM 717 CA HIS A 46 -0.121 1.623 2.970 1.00 0.00 C ATOM 718 C HIS A 46 -0.494 2.786 2.027 1.00 0.00 C ATOM 719 O HIS A 46 0.371 3.312 1.332 1.00 0.00 O ATOM 720 CB HIS A 46 0.027 0.323 2.168 1.00 0.00 C ATOM 721 CG HIS A 46 -1.202 -0.019 1.366 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.326 -0.696 1.847 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.445 0.395 0.089 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.212 -0.692 0.837 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.712 -0.040 -0.226 1.00 0.00 N ATOM 0 H HIS A 46 -1.493 0.484 4.077 1.00 0.00 H new ATOM 0 HA HIS A 46 0.827 1.897 3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.880 0.413 1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.247 -0.496 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.776 0.954 -0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.190 -1.149 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.190 0.107 -1.115 1.00 0.00 H new ATOM 733 N GLU A 47 -1.754 3.235 2.036 1.00 0.00 N ATOM 734 CA GLU A 47 -2.221 4.454 1.354 1.00 0.00 C ATOM 735 C GLU A 47 -1.442 5.716 1.775 1.00 0.00 C ATOM 736 O GLU A 47 -1.303 6.655 0.987 1.00 0.00 O ATOM 737 CB GLU A 47 -3.709 4.683 1.681 1.00 0.00 C ATOM 738 CG GLU A 47 -4.663 3.545 1.287 1.00 0.00 C ATOM 739 CD GLU A 47 -4.713 3.245 -0.228 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.115 2.116 -0.603 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.398 4.132 -1.059 1.00 0.00 O ATOM 0 H GLU A 47 -2.501 2.748 2.532 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.060 4.297 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.803 4.856 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.035 5.595 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.364 2.639 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.667 3.796 1.628 1.00 0.00 H new ATOM 748 N TYR A 48 -0.921 5.748 3.009 1.00 0.00 N ATOM 749 CA TYR A 48 -0.105 6.851 3.527 1.00 0.00 C ATOM 750 C TYR A 48 1.353 6.789 3.046 1.00 0.00 C ATOM 751 O TYR A 48 2.083 7.766 3.202 1.00 0.00 O ATOM 752 CB TYR A 48 -0.097 6.829 5.066 1.00 0.00 C ATOM 753 CG TYR A 48 -1.417 6.816 5.825 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.366 6.574 7.211 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.665 7.041 5.204 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.546 6.540 7.976 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.852 6.976 5.959 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.797 6.731 7.348 1.00 0.00 C ATOM 759 OH TYR A 48 -4.949 6.678 8.073 1.00 0.00 O ATOM 0 H TYR A 48 -1.058 4.996 3.685 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.557 7.768 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.466 5.949 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.464 7.701 5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.412 6.413 7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.709 7.263 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.496 6.368 9.041 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.807 7.114 5.474 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.715 6.832 7.482 1.00 0.00 H new ATOM 769 N PHE A 49 1.810 5.649 2.520 1.00 0.00 N ATOM 770 CA PHE A 49 3.217 5.378 2.221 1.00 0.00 C ATOM 771 C PHE A 49 3.621 5.687 0.773 1.00 0.00 C ATOM 772 O PHE A 49 2.804 5.739 -0.148 1.00 0.00 O ATOM 773 CB PHE A 49 3.570 3.938 2.621 1.00 0.00 C ATOM 774 CG PHE A 49 3.779 3.771 4.115 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.680 3.620 4.981 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.084 3.796 4.644 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.882 3.488 6.365 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.283 3.670 6.030 1.00 0.00 C ATOM 779 CZ PHE A 49 4.184 3.513 6.892 1.00 0.00 C ATOM 0 H PHE A 49 1.195 4.870 2.285 1.00 0.00 H new ATOM 0 HA PHE A 49 3.805 6.071 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.773 3.270 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.476 3.633 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.677 3.606 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.932 3.912 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.035 3.367 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.284 3.694 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.340 3.412 7.956 1.00 0.00 H new ATOM 789 N ALA A 50 4.929 5.866 0.598 1.00 0.00 N ATOM 790 CA ALA A 50 5.635 6.039 -0.659 1.00 0.00 C ATOM 791 C ALA A 50 7.042 5.425 -0.564 1.00 0.00 C ATOM 792 O ALA A 50 7.644 5.355 0.513 1.00 0.00 O ATOM 793 CB ALA A 50 5.704 7.538 -0.986 1.00 0.00 C ATOM 0 H ALA A 50 5.566 5.895 1.394 1.00 0.00 H new ATOM 0 HA ALA A 50 5.104 5.526 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.232 7.681 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.694 7.939 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.235 8.060 -0.190 1.00 0.00 H new ATOM 799 N LEU A 51 7.571 4.971 -1.698 1.00 0.00 N ATOM 800 CA LEU A 51 8.986 4.625 -1.826 1.00 0.00 C ATOM 801 C LEU A 51 9.790 5.907 -2.088 1.00 0.00 C ATOM 802 O LEU A 51 9.262 6.903 -2.587 1.00 0.00 O ATOM 803 CB LEU A 51 9.170 3.577 -2.938 1.00 0.00 C ATOM 804 CG LEU A 51 8.913 2.136 -2.462 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.781 1.215 -3.674 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.063 1.621 -1.589 1.00 0.00 C ATOM 0 H LEU A 51 7.032 4.833 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 51 9.358 4.178 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.493 3.807 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.184 3.648 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 51 7.996 2.139 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.599 0.194 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.948 1.547 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.702 1.246 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.849 0.601 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.990 1.635 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.169 2.260 -0.713 1.00 0.00 H new ATOM 818 N GLN A 52 11.078 5.882 -1.764 1.00 0.00 N ATOM 819 CA GLN A 52 11.986 7.022 -1.878 1.00 0.00 C ATOM 820 C GLN A 52 13.411 6.545 -2.182 1.00 0.00 C ATOM 821 O GLN A 52 13.799 5.456 -1.767 1.00 0.00 O ATOM 822 CB GLN A 52 11.896 7.818 -0.566 1.00 0.00 C ATOM 823 CG GLN A 52 12.713 9.114 -0.561 1.00 0.00 C ATOM 824 CD GLN A 52 12.634 9.838 0.775 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.669 9.252 1.850 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.564 11.147 0.756 1.00 0.00 N ATOM 0 H GLN A 52 11.535 5.044 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 52 11.703 7.670 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.851 8.060 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.235 7.185 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.754 8.886 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.352 9.772 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.534 11.643 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.539 11.669 1.632 1.00 0.00 H new ATOM 835 N HIS A 53 14.206 7.346 -2.890 1.00 0.00 N ATOM 836 CA HIS A 53 15.630 7.056 -3.125 1.00 0.00 C ATOM 837 C HIS A 53 16.472 7.127 -1.841 1.00 0.00 C ATOM 838 O HIS A 53 16.210 7.938 -0.948 1.00 0.00 O ATOM 839 CB HIS A 53 16.199 7.981 -4.212 1.00 0.00 C ATOM 840 CG HIS A 53 15.979 7.453 -5.608 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.764 6.477 -6.230 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.970 7.807 -6.453 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.218 6.280 -7.441 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.140 7.065 -7.602 1.00 0.00 N ATOM 0 H HIS A 53 13.887 8.215 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 53 15.690 6.026 -3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.736 8.964 -4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.268 8.116 -4.044 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.190 8.528 -6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.593 5.588 -8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.549 7.105 -8.432 1.00 0.00 H new ATOM 930 N TYR A 60 11.185 11.220 -3.863 1.00 0.00 N ATOM 931 CA TYR A 60 10.065 10.278 -3.736 1.00 0.00 C ATOM 932 C TYR A 60 9.780 9.589 -5.084 1.00 0.00 C ATOM 933 O TYR A 60 9.851 10.217 -6.145 1.00 0.00 O ATOM 934 CB TYR A 60 8.809 10.995 -3.223 1.00 0.00 C ATOM 935 CG TYR A 60 8.921 11.510 -1.800 1.00 0.00 C ATOM 936 CD1 TYR A 60 9.295 12.846 -1.550 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.637 10.648 -0.722 1.00 0.00 C ATOM 938 CE1 TYR A 60 9.390 13.317 -0.227 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.718 11.121 0.601 1.00 0.00 C ATOM 940 CZ TYR A 60 9.104 12.456 0.854 1.00 0.00 C ATOM 941 OH TYR A 60 9.180 12.925 2.130 1.00 0.00 O ATOM 0 HA TYR A 60 10.344 9.513 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.588 11.833 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.963 10.310 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.509 13.509 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.357 9.622 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.682 14.339 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.485 10.462 1.424 1.00 0.00 H new ATOM 0 HH TYR A 60 8.952 12.207 2.757 1.00 0.00 H new ATOM 951 N ILE A 61 9.435 8.301 -5.052 1.00 0.00 N ATOM 952 CA ILE A 61 9.073 7.514 -6.236 1.00 0.00 C ATOM 953 C ILE A 61 7.606 7.769 -6.618 1.00 0.00 C ATOM 954 O ILE A 61 6.713 7.738 -5.769 1.00 0.00 O ATOM 955 CB ILE A 61 9.363 6.016 -5.994 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.833 5.733 -5.604 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.974 5.167 -7.214 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.901 6.272 -6.565 1.00 0.00 C ATOM 0 H ILE A 61 9.398 7.763 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 61 9.686 7.829 -7.080 1.00 0.00 H new ATOM 0 HB ILE A 61 8.743 5.731 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.014 6.158 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.963 4.654 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.191 4.118 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.909 5.285 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.546 5.494 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.891 6.014 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.760 5.829 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.811 7.356 -6.638 1.00 0.00 H new ATOM 970 N THR A 62 7.360 7.987 -7.911 1.00 0.00 N ATOM 971 CA THR A 62 6.037 8.225 -8.520 1.00 0.00 C ATOM 972 C THR A 62 5.982 7.573 -9.902 1.00 0.00 C ATOM 973 O THR A 62 7.016 7.198 -10.459 1.00 0.00 O ATOM 974 CB THR A 62 5.719 9.728 -8.661 1.00 0.00 C ATOM 975 OG1 THR A 62 6.495 10.293 -9.696 1.00 0.00 O ATOM 976 CG2 THR A 62 5.960 10.554 -7.397 1.00 0.00 C ATOM 0 H THR A 62 8.111 8.005 -8.601 1.00 0.00 H new ATOM 0 HA THR A 62 5.292 7.785 -7.857 1.00 0.00 H new ATOM 0 HB THR A 62 4.651 9.767 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.285 11.247 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.710 11.597 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.334 10.174 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.009 10.480 -7.109 1.00 0.00 H new ATOM 984 N GLU A 63 4.803 7.481 -10.521 1.00 0.00 N ATOM 985 CA GLU A 63 4.664 6.977 -11.900 1.00 0.00 C ATOM 986 C GLU A 63 5.404 7.848 -12.946 1.00 0.00 C ATOM 987 O GLU A 63 5.635 7.404 -14.073 1.00 0.00 O ATOM 988 CB GLU A 63 3.171 6.823 -12.252 1.00 0.00 C ATOM 989 CG GLU A 63 2.381 5.863 -11.334 1.00 0.00 C ATOM 990 CD GLU A 63 2.832 4.388 -11.387 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.404 3.594 -10.517 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.608 4.001 -12.292 1.00 0.00 O ATOM 0 H GLU A 63 3.919 7.751 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 63 5.146 6.000 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.701 7.806 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.090 6.469 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.466 6.216 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.326 5.914 -11.603 1.00 0.00 H new ATOM 999 N LYS A 64 5.831 9.064 -12.562 1.00 0.00 N ATOM 1000 CA LYS A 64 6.660 9.996 -13.351 1.00 0.00 C ATOM 1001 C LYS A 64 8.161 9.971 -12.991 1.00 0.00 C ATOM 1002 O LYS A 64 8.949 10.624 -13.677 1.00 0.00 O ATOM 1003 CB LYS A 64 6.077 11.414 -13.191 1.00 0.00 C ATOM 1004 CG LYS A 64 4.700 11.557 -13.865 1.00 0.00 C ATOM 1005 CD LYS A 64 4.020 12.897 -13.546 1.00 0.00 C ATOM 1006 CE LYS A 64 3.541 12.941 -12.087 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.598 14.066 -11.855 1.00 0.00 N ATOM 0 H LYS A 64 5.595 9.444 -11.645 1.00 0.00 H new ATOM 0 HA LYS A 64 6.621 9.671 -14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.987 11.650 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.767 12.139 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.817 11.461 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.055 10.741 -13.541 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.718 13.715 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.172 13.047 -14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.054 11.999 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.400 13.043 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.295 14.065 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.071 14.966 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.767 13.955 -12.470 1.00 0.00 H new ATOM 1021 N ASN A 65 8.566 9.244 -11.940 1.00 0.00 N ATOM 1022 CA ASN A 65 9.942 9.224 -11.400 1.00 0.00 C ATOM 1023 C ASN A 65 10.530 7.801 -11.228 1.00 0.00 C ATOM 1024 O ASN A 65 11.744 7.647 -11.089 1.00 0.00 O ATOM 1025 CB ASN A 65 9.936 10.025 -10.076 1.00 0.00 C ATOM 1026 CG ASN A 65 11.245 10.737 -9.744 1.00 0.00 C ATOM 1027 OD1 ASN A 65 11.267 11.916 -9.420 1.00 0.00 O ATOM 1028 ND2 ASN A 65 12.379 10.080 -9.830 1.00 0.00 N ATOM 0 H ASN A 65 7.931 8.635 -11.424 1.00 0.00 H new ATOM 0 HA ASN A 65 10.610 9.690 -12.124 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.138 10.767 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.693 9.345 -9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.259 10.554 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.379 9.096 -10.099 1.00 0.00 H new ATOM 1035 N ARG A 66 9.706 6.745 -11.250 1.00 0.00 N ATOM 1036 CA ARG A 66 10.129 5.335 -11.084 1.00 0.00 C ATOM 1037 C ARG A 66 11.089 4.820 -12.160 1.00 0.00 C ATOM 1038 O ARG A 66 11.802 3.847 -11.922 1.00 0.00 O ATOM 1039 CB ARG A 66 8.884 4.438 -10.985 1.00 0.00 C ATOM 1040 CG ARG A 66 8.061 4.384 -12.288 1.00 0.00 C ATOM 1041 CD ARG A 66 6.744 3.629 -12.103 1.00 0.00 C ATOM 1042 NE ARG A 66 6.960 2.230 -11.710 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.022 1.331 -11.509 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.763 1.570 -11.694 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.337 0.139 -11.108 1.00 0.00 N ATOM 0 H ARG A 66 8.700 6.843 -11.387 1.00 0.00 H new ATOM 0 HA ARG A 66 10.706 5.295 -10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.194 3.428 -10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.248 4.800 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.853 5.399 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.649 3.901 -13.068 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.143 4.130 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.175 3.660 -13.032 1.00 0.00 H new ATOM 0 HE ARG A 66 7.926 1.929 -11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.460 2.491 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.074 0.837 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.315 -0.103 -10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.607 -0.556 -10.953 1.00 0.00 H new ATOM 1059 N ASN A 67 11.148 5.483 -13.315 1.00 0.00 N ATOM 1060 CA ASN A 67 12.104 5.207 -14.391 1.00 0.00 C ATOM 1061 C ASN A 67 13.574 5.425 -13.959 1.00 0.00 C ATOM 1062 O ASN A 67 14.484 4.864 -14.569 1.00 0.00 O ATOM 1063 CB ASN A 67 11.752 6.110 -15.591 1.00 0.00 C ATOM 1064 CG ASN A 67 12.093 7.567 -15.315 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.456 8.232 -14.510 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.149 8.072 -15.908 1.00 0.00 N ATOM 0 H ASN A 67 10.513 6.250 -13.536 1.00 0.00 H new ATOM 0 HA ASN A 67 12.024 4.154 -14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.293 5.770 -16.474 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.689 6.021 -15.815 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.444 9.026 -15.699 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.675 7.511 -16.578 1.00 0.00 H new ATOM 1073 N GLU A 68 13.817 6.233 -12.918 1.00 0.00 N ATOM 1074 CA GLU A 68 15.154 6.473 -12.355 1.00 0.00 C ATOM 1075 C GLU A 68 15.676 5.297 -11.501 1.00 0.00 C ATOM 1076 O GLU A 68 16.865 5.249 -11.180 1.00 0.00 O ATOM 1077 CB GLU A 68 15.149 7.770 -11.524 1.00 0.00 C ATOM 1078 CG GLU A 68 14.688 9.030 -12.280 1.00 0.00 C ATOM 1079 CD GLU A 68 15.456 9.326 -13.584 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.677 9.049 -13.668 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.840 9.879 -14.530 1.00 0.00 O ATOM 0 H GLU A 68 13.079 6.746 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 68 15.837 6.571 -13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.501 7.627 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.155 7.942 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.629 8.927 -12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.785 9.889 -11.616 1.00 0.00 H new ATOM 1088 N ILE A 69 14.814 4.340 -11.127 1.00 0.00 N ATOM 1089 CA ILE A 69 15.201 3.109 -10.430 1.00 0.00 C ATOM 1090 C ILE A 69 15.874 2.147 -11.419 1.00 0.00 C ATOM 1091 O ILE A 69 15.329 1.856 -12.487 1.00 0.00 O ATOM 1092 CB ILE A 69 13.982 2.432 -9.760 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.232 3.398 -8.814 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.437 1.174 -8.997 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.923 2.817 -8.266 1.00 0.00 C ATOM 0 H ILE A 69 13.812 4.403 -11.304 1.00 0.00 H new ATOM 0 HA ILE A 69 15.907 3.368 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 69 13.284 2.146 -10.547 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.884 3.657 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.015 4.323 -9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.574 0.701 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.900 0.474 -9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.159 1.455 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.448 3.546 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.254 2.584 -9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.136 1.907 -7.704 1.00 0.00 H new ATOM 1107 N LYS A 70 17.033 1.609 -11.029 1.00 0.00 N ATOM 1108 CA LYS A 70 17.805 0.594 -11.765 1.00 0.00 C ATOM 1109 C LYS A 70 18.080 -0.645 -10.906 1.00 0.00 C ATOM 1110 O LYS A 70 17.858 -0.635 -9.694 1.00 0.00 O ATOM 1111 CB LYS A 70 19.108 1.235 -12.286 1.00 0.00 C ATOM 1112 CG LYS A 70 18.844 2.415 -13.239 1.00 0.00 C ATOM 1113 CD LYS A 70 20.132 3.045 -13.786 1.00 0.00 C ATOM 1114 CE LYS A 70 20.930 3.758 -12.685 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.126 4.452 -13.235 1.00 0.00 N ATOM 0 H LYS A 70 17.482 1.878 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 70 17.218 0.246 -12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.702 1.581 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.699 0.479 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.232 2.071 -14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.268 3.177 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.751 2.271 -14.240 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.883 3.757 -14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.289 4.481 -12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.243 3.032 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.640 4.922 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.750 3.758 -13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.825 5.162 -13.933 1.00 0.00 H new ATOM 1129 N ASN A 71 18.586 -1.715 -11.515 1.00 0.00 N ATOM 1130 CA ASN A 71 19.012 -2.919 -10.796 1.00 0.00 C ATOM 1131 C ASN A 71 20.081 -2.587 -9.730 1.00 0.00 C ATOM 1132 O ASN A 71 21.105 -1.969 -10.029 1.00 0.00 O ATOM 1133 CB ASN A 71 19.490 -3.986 -11.804 1.00 0.00 C ATOM 1134 CG ASN A 71 20.609 -3.515 -12.727 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.424 -2.652 -13.575 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.796 -4.067 -12.612 1.00 0.00 N ATOM 0 H ASN A 71 18.714 -1.774 -12.525 1.00 0.00 H new ATOM 0 HA ASN A 71 18.162 -3.332 -10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.832 -4.862 -11.254 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.642 -4.302 -12.411 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.556 -3.776 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.958 -4.787 -11.908 1.00 0.00 H new ATOM 1143 N GLY A 72 19.831 -2.993 -8.482 1.00 0.00 N ATOM 1144 CA GLY A 72 20.683 -2.718 -7.319 1.00 0.00 C ATOM 1145 C GLY A 72 20.437 -1.368 -6.624 1.00 0.00 C ATOM 1146 O GLY A 72 21.244 -0.977 -5.779 1.00 0.00 O ATOM 0 H GLY A 72 19.003 -3.540 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.540 -3.514 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.725 -2.760 -7.636 1.00 0.00 H new ATOM 1150 N THR A 73 19.357 -0.642 -6.949 1.00 0.00 N ATOM 1151 CA THR A 73 19.044 0.654 -6.306 1.00 0.00 C ATOM 1152 C THR A 73 18.680 0.472 -4.830 1.00 0.00 C ATOM 1153 O THR A 73 17.800 -0.324 -4.491 1.00 0.00 O ATOM 1154 CB THR A 73 17.909 1.409 -7.020 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.273 1.660 -8.355 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.598 2.781 -6.418 1.00 0.00 C ATOM 0 H THR A 73 18.680 -0.928 -7.656 1.00 0.00 H new ATOM 0 HA THR A 73 19.952 1.253 -6.384 1.00 0.00 H new ATOM 0 HB THR A 73 17.035 0.765 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.419 0.810 -8.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.787 3.248 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.299 2.662 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.486 3.411 -6.471 1.00 0.00 H new ATOM 1164 N ILE A 74 19.329 1.237 -3.946 1.00 0.00 N ATOM 1165 CA ILE A 74 18.943 1.348 -2.535 1.00 0.00 C ATOM 1166 C ILE A 74 17.820 2.388 -2.412 1.00 0.00 C ATOM 1167 O ILE A 74 17.958 3.531 -2.864 1.00 0.00 O ATOM 1168 CB ILE A 74 20.139 1.678 -1.611 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.358 0.764 -1.889 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.705 1.552 -0.137 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.624 1.179 -1.133 1.00 0.00 C ATOM 0 H ILE A 74 20.143 1.801 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 74 18.580 0.378 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 74 20.449 2.702 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.102 -0.260 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.567 0.767 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.549 1.785 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.890 2.248 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.368 0.534 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.435 0.493 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.905 2.191 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.434 1.148 -0.060 1.00 0.00 H new ATOM 1183 N LEU A 75 16.714 1.987 -1.793 1.00 0.00 N ATOM 1184 CA LEU A 75 15.510 2.782 -1.553 1.00 0.00 C ATOM 1185 C LEU A 75 15.203 2.871 -0.048 1.00 0.00 C ATOM 1186 O LEU A 75 15.849 2.226 0.777 1.00 0.00 O ATOM 1187 CB LEU A 75 14.330 2.159 -2.331 1.00 0.00 C ATOM 1188 CG LEU A 75 14.473 2.110 -3.864 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.232 1.451 -4.461 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.597 3.497 -4.494 1.00 0.00 C ATOM 0 H LEU A 75 16.627 1.041 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 75 15.671 3.800 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.180 1.142 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.427 2.720 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 75 15.383 1.549 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.327 1.413 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.134 0.438 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.348 2.030 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.695 3.398 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.707 4.083 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.477 4.001 -4.095 1.00 0.00 H new ATOM 1202 N ARG A 76 14.180 3.646 0.307 1.00 0.00 N ATOM 1203 CA ARG A 76 13.645 3.850 1.656 1.00 0.00 C ATOM 1204 C ARG A 76 12.116 3.842 1.620 1.00 0.00 C ATOM 1205 O ARG A 76 11.521 4.498 0.764 1.00 0.00 O ATOM 1206 CB ARG A 76 14.215 5.181 2.187 1.00 0.00 C ATOM 1207 CG ARG A 76 13.604 5.627 3.520 1.00 0.00 C ATOM 1208 CD ARG A 76 14.296 6.881 4.071 1.00 0.00 C ATOM 1209 NE ARG A 76 13.694 7.293 5.355 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.689 8.132 5.539 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.182 8.856 4.585 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.147 8.260 6.715 1.00 0.00 N ATOM 0 H ARG A 76 13.665 4.187 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 76 13.942 3.045 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.294 5.081 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.048 5.960 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.541 5.828 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.685 4.818 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.359 6.684 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.214 7.693 3.349 1.00 0.00 H new ATOM 0 HE ARG A 76 14.100 6.883 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.560 8.792 3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.406 9.488 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.497 7.712 7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.372 8.909 6.851 1.00 0.00 H new ATOM 1226 N LEU A 77 11.477 3.115 2.537 1.00 0.00 N ATOM 1227 CA LEU A 77 10.034 3.226 2.775 1.00 0.00 C ATOM 1228 C LEU A 77 9.774 4.431 3.688 1.00 0.00 C ATOM 1229 O LEU A 77 10.498 4.649 4.662 1.00 0.00 O ATOM 1230 CB LEU A 77 9.485 1.917 3.371 1.00 0.00 C ATOM 1231 CG LEU A 77 7.989 1.959 3.716 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.139 2.020 2.441 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.576 0.724 4.502 1.00 0.00 C ATOM 0 H LEU A 77 11.943 2.433 3.136 1.00 0.00 H new ATOM 0 HA LEU A 77 9.509 3.387 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.660 1.107 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.048 1.678 4.274 1.00 0.00 H new ATOM 0 HG LEU A 77 7.823 2.852 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.083 2.049 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.395 2.916 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.334 1.138 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.512 0.779 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.772 -0.168 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.147 0.675 5.429 1.00 0.00 H new ATOM 1245 N THR A 78 8.746 5.219 3.384 1.00 0.00 N ATOM 1246 CA THR A 78 8.442 6.458 4.111 1.00 0.00 C ATOM 1247 C THR A 78 6.975 6.845 3.954 1.00 0.00 C ATOM 1248 O THR A 78 6.344 6.496 2.956 1.00 0.00 O ATOM 1249 CB THR A 78 9.389 7.569 3.618 1.00 0.00 C ATOM 1250 OG1 THR A 78 9.218 8.774 4.338 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.308 7.881 2.121 1.00 0.00 C ATOM 0 H THR A 78 8.095 5.019 2.624 1.00 0.00 H new ATOM 0 HA THR A 78 8.605 6.306 5.178 1.00 0.00 H new ATOM 0 HB THR A 78 10.378 7.149 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.337 9.153 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.013 8.676 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.556 6.987 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.297 8.203 1.871 1.00 0.00 H new ATOM 1259 N THR A 79 6.397 7.561 4.920 1.00 0.00 N ATOM 1260 CA THR A 79 5.083 8.186 4.709 1.00 0.00 C ATOM 1261 C THR A 79 5.228 9.350 3.721 1.00 0.00 C ATOM 1262 O THR A 79 6.206 10.103 3.751 1.00 0.00 O ATOM 1263 CB THR A 79 4.394 8.617 6.014 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.269 9.338 6.860 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.845 7.416 6.785 1.00 0.00 C ATOM 0 H THR A 79 6.806 7.723 5.841 1.00 0.00 H new ATOM 0 HA THR A 79 4.421 7.433 4.282 1.00 0.00 H new ATOM 0 HB THR A 79 3.569 9.265 5.719 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.795 9.596 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.365 7.760 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.115 6.891 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.662 6.740 7.035 1.00 0.00 H new ATOM 1273 N SER A 80 4.264 9.473 2.811 1.00 0.00 N ATOM 1274 CA SER A 80 4.200 10.487 1.755 1.00 0.00 C ATOM 1275 C SER A 80 4.066 11.913 2.330 1.00 0.00 C ATOM 1276 O SER A 80 3.496 12.085 3.415 1.00 0.00 O ATOM 1277 CB SER A 80 3.007 10.142 0.850 1.00 0.00 C ATOM 1278 OG SER A 80 2.675 11.181 -0.055 1.00 0.00 O ATOM 0 H SER A 80 3.466 8.838 2.787 1.00 0.00 H new ATOM 0 HA SER A 80 5.128 10.479 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.236 9.237 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.140 9.919 1.472 1.00 0.00 H new ATOM 0 HG SER A 80 1.912 10.905 -0.604 1.00 0.00 H new