USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot 180:sc= 0.602 USER MOD Set 1.2: A 43 SER OG : rot -120:sc= 0.674 USER MOD Set 2.1: A 9 THR OG1 : rot 109:sc= 1.18 USER MOD Set 2.2: A 10 ASN : amide:sc= 1.01 K(o=4.6,f=-0.14!) USER MOD Set 2.3: A 13 THR OG1 : rot -85:sc= 2.38 USER MOD Single : A 0 PHE N :NH3+ 152:sc= 0.165 (180deg=0.0148) USER MOD Single : A 1 MET CE :methyl -178:sc= -0.376 (180deg=-0.394) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.0573 (180deg=-0.432) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.72) USER MOD Single : A 24 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.25) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -105:sc= 0.0815 USER MOD Single : A 33 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.45) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -135:sc= -0.982 (180deg=-1.23) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.782 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.448) USER MOD Single : A 59 THR OG1 : rot -30:sc= 0.214 USER MOD Single : A 61 MET CE :methyl 172:sc= 0 (180deg=-0.108) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.13) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -137:sc= -0.974 (180deg=-4!) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= 0.837 (180deg=0.247) USER MOD Single : A 77 ASN : amide:sc= -0.72 K(o=-0.72,f=-6.5!) USER MOD Single : A 82 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 90 SER OG : rot 103:sc= 1.25 USER MOD Single : A 91 SER OG : rot 120:sc= -0.22 USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.971 8.016 6.877 1.00 0.00 N ATOM 91 CA PHE A 0 -6.648 8.619 6.815 1.00 0.00 C ATOM 92 C PHE A 0 -5.615 7.630 7.328 1.00 0.00 C ATOM 93 O PHE A 0 -5.701 7.162 8.465 1.00 0.00 O ATOM 94 CB PHE A 0 -6.596 9.914 7.631 1.00 0.00 C ATOM 95 CG PHE A 0 -7.471 11.010 7.087 1.00 0.00 C ATOM 96 CD1 PHE A 0 -7.046 11.787 6.019 1.00 0.00 C ATOM 97 CD2 PHE A 0 -8.713 11.266 7.644 1.00 0.00 C ATOM 98 CE1 PHE A 0 -7.844 12.798 5.519 1.00 0.00 C ATOM 99 CE2 PHE A 0 -9.515 12.278 7.148 1.00 0.00 C ATOM 100 CZ PHE A 0 -9.079 13.044 6.084 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.687 8.761 6.995 1.00 0.00 H new ATOM 0 H2 PHE A 0 -8.156 7.494 5.997 1.00 0.00 H new ATOM 0 H3 PHE A 0 -8.017 7.361 7.684 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.426 8.869 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.895 9.698 8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -5.566 10.268 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -6.080 11.599 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -9.059 10.669 8.475 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -7.502 13.395 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -10.481 12.469 7.592 1.00 0.00 H new ATOM 0 HZ PHE A 0 -9.704 13.834 5.695 1.00 0.00 H new ATOM 110 N MET A 1 -4.651 7.303 6.482 1.00 0.00 N ATOM 111 CA MET A 1 -3.639 6.321 6.832 1.00 0.00 C ATOM 112 C MET A 1 -2.269 6.721 6.293 1.00 0.00 C ATOM 113 O MET A 1 -2.153 7.161 5.147 1.00 0.00 O ATOM 114 CB MET A 1 -4.033 4.948 6.286 1.00 0.00 C ATOM 115 CG MET A 1 -3.046 3.854 6.639 1.00 0.00 C ATOM 116 SD MET A 1 -2.859 3.645 8.419 1.00 0.00 S ATOM 117 CE MET A 1 -1.515 2.466 8.459 1.00 0.00 C ATOM 0 H MET A 1 -4.549 7.703 5.549 1.00 0.00 H new ATOM 0 HA MET A 1 -3.575 6.275 7.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.016 4.679 6.674 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.124 5.009 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.377 2.914 6.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.076 4.088 6.200 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.295 2.200 9.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.800 1.571 7.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.629 2.908 8.002 1.00 0.00 H new ATOM 127 N GLU A 2 -1.236 6.549 7.112 1.00 0.00 N ATOM 128 CA GLU A 2 0.128 6.832 6.693 1.00 0.00 C ATOM 129 C GLU A 2 1.095 5.861 7.367 1.00 0.00 C ATOM 130 O GLU A 2 0.790 5.301 8.422 1.00 0.00 O ATOM 131 CB GLU A 2 0.525 8.283 7.013 1.00 0.00 C ATOM 132 CG GLU A 2 0.836 8.558 8.480 1.00 0.00 C ATOM 133 CD GLU A 2 -0.393 8.630 9.367 1.00 0.00 C ATOM 134 OE1 GLU A 2 -0.838 7.575 9.865 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.890 9.753 9.601 1.00 0.00 O ATOM 0 H GLU A 2 -1.320 6.214 8.072 1.00 0.00 H new ATOM 0 HA GLU A 2 0.181 6.702 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.399 8.544 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.284 8.943 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.496 7.776 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.382 9.499 8.555 1.00 0.00 H new ATOM 142 N GLY A 3 2.247 5.647 6.751 1.00 0.00 N ATOM 143 CA GLY A 3 3.245 4.769 7.327 1.00 0.00 C ATOM 144 C GLY A 3 4.199 4.247 6.280 1.00 0.00 C ATOM 145 O GLY A 3 4.174 4.701 5.137 1.00 0.00 O ATOM 0 H GLY A 3 2.510 6.067 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.804 5.306 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.752 3.931 7.820 1.00 0.00 H new ATOM 149 N VAL A 4 5.043 3.299 6.656 1.00 0.00 N ATOM 150 CA VAL A 4 5.984 2.727 5.709 1.00 0.00 C ATOM 151 C VAL A 4 5.639 1.266 5.447 1.00 0.00 C ATOM 152 O VAL A 4 4.980 0.614 6.263 1.00 0.00 O ATOM 153 CB VAL A 4 7.461 2.837 6.181 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.681 4.078 7.031 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.908 1.581 6.914 1.00 0.00 C ATOM 0 H VAL A 4 5.095 2.914 7.599 1.00 0.00 H new ATOM 0 HA VAL A 4 5.895 3.306 4.790 1.00 0.00 H new ATOM 0 HB VAL A 4 8.080 2.934 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.724 4.124 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.438 4.966 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.039 4.035 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.945 1.693 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.277 1.427 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.822 0.722 6.249 1.00 0.00 H new ATOM 165 N LEU A 5 6.079 0.766 4.307 1.00 0.00 N ATOM 166 CA LEU A 5 5.858 -0.622 3.928 1.00 0.00 C ATOM 167 C LEU A 5 7.150 -1.204 3.382 1.00 0.00 C ATOM 168 O LEU A 5 8.021 -0.470 2.905 1.00 0.00 O ATOM 169 CB LEU A 5 4.762 -0.770 2.851 1.00 0.00 C ATOM 170 CG LEU A 5 3.303 -0.561 3.286 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.954 -1.410 4.502 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.022 0.907 3.539 1.00 0.00 C ATOM 0 H LEU A 5 6.599 1.308 3.617 1.00 0.00 H new ATOM 0 HA LEU A 5 5.530 -1.154 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.979 -0.061 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.845 -1.769 2.423 1.00 0.00 H new ATOM 0 HG LEU A 5 2.662 -0.891 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.915 -1.236 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.094 -2.464 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.603 -1.138 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.983 1.031 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.679 1.273 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.201 1.474 2.626 1.00 0.00 H new ATOM 184 N TYR A 6 7.271 -2.517 3.474 1.00 0.00 N ATOM 185 CA TYR A 6 8.382 -3.233 2.876 1.00 0.00 C ATOM 186 C TYR A 6 8.244 -3.254 1.362 1.00 0.00 C ATOM 187 O TYR A 6 7.202 -3.627 0.825 1.00 0.00 O ATOM 188 CB TYR A 6 8.442 -4.655 3.451 1.00 0.00 C ATOM 189 CG TYR A 6 8.873 -5.741 2.479 1.00 0.00 C ATOM 190 CD1 TYR A 6 10.214 -6.055 2.301 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.932 -6.464 1.752 1.00 0.00 C ATOM 192 CE1 TYR A 6 10.605 -7.051 1.426 1.00 0.00 C ATOM 193 CE2 TYR A 6 8.316 -7.463 0.879 1.00 0.00 C ATOM 194 CZ TYR A 6 9.653 -7.752 0.719 1.00 0.00 C ATOM 195 OH TYR A 6 10.038 -8.753 -0.144 1.00 0.00 O ATOM 0 H TYR A 6 6.604 -3.114 3.963 1.00 0.00 H new ATOM 0 HA TYR A 6 9.315 -2.723 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.129 -4.656 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.457 -4.912 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.964 -5.512 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.882 -6.240 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.653 -7.279 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.571 -8.015 0.325 1.00 0.00 H new ATOM 0 HH TYR A 6 9.244 -9.148 -0.562 1.00 0.00 H new ATOM 205 N LYS A 7 9.286 -2.822 0.684 1.00 0.00 N ATOM 206 CA LYS A 7 9.323 -2.875 -0.762 1.00 0.00 C ATOM 207 C LYS A 7 10.532 -3.667 -1.221 1.00 0.00 C ATOM 208 O LYS A 7 11.664 -3.359 -0.839 1.00 0.00 O ATOM 209 CB LYS A 7 9.367 -1.463 -1.354 1.00 0.00 C ATOM 210 CG LYS A 7 9.542 -1.439 -2.869 1.00 0.00 C ATOM 211 CD LYS A 7 8.341 -2.034 -3.593 1.00 0.00 C ATOM 212 CE LYS A 7 7.193 -1.040 -3.686 1.00 0.00 C ATOM 213 NZ LYS A 7 7.543 0.121 -4.548 1.00 0.00 N ATOM 0 H LYS A 7 10.123 -2.428 1.114 1.00 0.00 H new ATOM 0 HA LYS A 7 8.417 -3.369 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.446 -0.941 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.186 -0.911 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.692 -0.411 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.440 -1.995 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.637 -2.344 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.006 -2.929 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.311 -1.539 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.934 -0.688 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.672 0.572 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.094 0.810 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.109 -0.206 -5.357 1.00 0.00 H new ATOM 227 N TRP A 8 10.288 -4.695 -2.018 1.00 0.00 N ATOM 228 CA TRP A 8 11.368 -5.450 -2.628 1.00 0.00 C ATOM 229 C TRP A 8 11.978 -4.636 -3.764 1.00 0.00 C ATOM 230 O TRP A 8 11.424 -4.565 -4.862 1.00 0.00 O ATOM 231 CB TRP A 8 10.869 -6.805 -3.148 1.00 0.00 C ATOM 232 CG TRP A 8 11.948 -7.618 -3.804 1.00 0.00 C ATOM 233 CD1 TRP A 8 12.175 -7.755 -5.145 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.960 -8.389 -3.145 1.00 0.00 C ATOM 235 NE1 TRP A 8 13.263 -8.568 -5.357 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.764 -8.966 -4.146 1.00 0.00 C ATOM 237 CE3 TRP A 8 13.267 -8.647 -1.804 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.853 -9.784 -3.850 1.00 0.00 C ATOM 239 CZ3 TRP A 8 14.348 -9.460 -1.513 1.00 0.00 C ATOM 240 CH2 TRP A 8 15.130 -10.017 -2.533 1.00 0.00 C ATOM 0 H TRP A 8 9.353 -5.025 -2.257 1.00 0.00 H new ATOM 0 HA TRP A 8 12.129 -5.644 -1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.448 -7.373 -2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.063 -6.639 -3.862 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.586 -7.293 -5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.637 -8.832 -6.269 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.671 -8.219 -1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.456 -10.218 -4.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 14.593 -9.669 -0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.970 -10.644 -2.272 1.00 0.00 H new ATOM 251 N THR A 9 13.098 -3.994 -3.478 1.00 0.00 N ATOM 252 CA THR A 9 13.790 -3.182 -4.461 1.00 0.00 C ATOM 253 C THR A 9 14.596 -4.055 -5.421 1.00 0.00 C ATOM 254 O THR A 9 14.249 -4.176 -6.597 1.00 0.00 O ATOM 255 CB THR A 9 14.703 -2.163 -3.762 1.00 0.00 C ATOM 256 OG1 THR A 9 15.166 -2.710 -2.519 1.00 0.00 O ATOM 257 CG2 THR A 9 13.964 -0.857 -3.505 1.00 0.00 C ATOM 0 H THR A 9 13.550 -4.021 -2.564 1.00 0.00 H new ATOM 0 HA THR A 9 13.044 -2.641 -5.044 1.00 0.00 H new ATOM 0 HB THR A 9 15.552 -1.954 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.120 -2.921 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.632 -0.152 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.630 -0.435 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.100 -1.047 -2.868 1.00 0.00 H new ATOM 265 N ASN A 10 15.668 -4.664 -4.923 1.00 0.00 N ATOM 266 CA ASN A 10 16.413 -5.637 -5.714 1.00 0.00 C ATOM 267 C ASN A 10 17.290 -6.496 -4.816 1.00 0.00 C ATOM 268 O ASN A 10 17.423 -6.205 -3.628 1.00 0.00 O ATOM 269 CB ASN A 10 17.257 -4.966 -6.816 1.00 0.00 C ATOM 270 CG ASN A 10 18.577 -4.378 -6.334 1.00 0.00 C ATOM 271 OD1 ASN A 10 18.719 -3.956 -5.189 1.00 0.00 O ATOM 272 ND2 ASN A 10 19.559 -4.346 -7.220 1.00 0.00 N ATOM 0 H ASN A 10 16.037 -4.503 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 10 15.684 -6.276 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.464 -5.700 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.667 -4.173 -7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 10 20.468 -3.962 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 10 19.407 -4.705 -8.163 1.00 0.00 H new ATOM 279 N TYR A 11 17.891 -7.538 -5.373 1.00 0.00 N ATOM 280 CA TYR A 11 18.676 -8.484 -4.582 1.00 0.00 C ATOM 281 C TYR A 11 19.808 -7.789 -3.810 1.00 0.00 C ATOM 282 O TYR A 11 20.111 -8.163 -2.676 1.00 0.00 O ATOM 283 CB TYR A 11 19.238 -9.598 -5.481 1.00 0.00 C ATOM 284 CG TYR A 11 20.181 -9.120 -6.569 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.708 -8.443 -7.687 1.00 0.00 C ATOM 286 CD2 TYR A 11 21.547 -9.357 -6.480 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.566 -8.015 -8.680 1.00 0.00 C ATOM 288 CE2 TYR A 11 22.409 -8.931 -7.467 1.00 0.00 C ATOM 289 CZ TYR A 11 21.915 -8.260 -8.564 1.00 0.00 C ATOM 290 OH TYR A 11 22.776 -7.834 -9.548 1.00 0.00 O ATOM 0 H TYR A 11 17.852 -7.752 -6.369 1.00 0.00 H new ATOM 0 HA TYR A 11 18.007 -8.928 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 11 19.763 -10.320 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 11 18.405 -10.125 -5.947 1.00 0.00 H new ATOM 0 HD1 TYR A 11 18.650 -8.248 -7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 11 21.940 -9.884 -5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 11 20.181 -7.491 -9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 11 23.468 -9.123 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 11 23.693 -8.086 -9.312 1.00 0.00 H new ATOM 300 N LEU A 12 20.405 -6.760 -4.415 1.00 0.00 N ATOM 301 CA LEU A 12 21.536 -6.056 -3.806 1.00 0.00 C ATOM 302 C LEU A 12 21.119 -5.301 -2.547 1.00 0.00 C ATOM 303 O LEU A 12 21.835 -5.301 -1.545 1.00 0.00 O ATOM 304 CB LEU A 12 22.160 -5.072 -4.801 1.00 0.00 C ATOM 305 CG LEU A 12 22.886 -5.708 -5.988 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.311 -4.640 -6.985 1.00 0.00 C ATOM 307 CD2 LEU A 12 24.095 -6.495 -5.507 1.00 0.00 C ATOM 0 H LEU A 12 20.125 -6.396 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 12 22.271 -6.812 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.373 -4.422 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.865 -4.437 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 12 22.201 -6.393 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.826 -5.109 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.430 -4.112 -7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.982 -3.933 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.602 -6.942 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.781 -5.826 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.770 -7.282 -4.826 1.00 0.00 H new ATOM 319 N THR A 13 19.962 -4.662 -2.601 1.00 0.00 N ATOM 320 CA THR A 13 19.479 -3.866 -1.483 1.00 0.00 C ATOM 321 C THR A 13 18.694 -4.713 -0.491 1.00 0.00 C ATOM 322 O THR A 13 18.654 -4.415 0.703 1.00 0.00 O ATOM 323 CB THR A 13 18.600 -2.702 -1.976 1.00 0.00 C ATOM 324 OG1 THR A 13 17.685 -3.168 -2.973 1.00 0.00 O ATOM 325 CG2 THR A 13 19.452 -1.581 -2.546 1.00 0.00 C ATOM 0 H THR A 13 19.338 -4.679 -3.408 1.00 0.00 H new ATOM 0 HA THR A 13 20.355 -3.463 -0.976 1.00 0.00 H new ATOM 0 HB THR A 13 18.042 -2.313 -1.124 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.121 -3.152 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.807 -0.771 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.126 -1.208 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.035 -1.958 -3.386 1.00 0.00 H new ATOM 333 N GLY A 14 18.076 -5.771 -0.988 1.00 0.00 N ATOM 334 CA GLY A 14 17.265 -6.612 -0.142 1.00 0.00 C ATOM 335 C GLY A 14 15.867 -6.058 -0.001 1.00 0.00 C ATOM 336 O GLY A 14 14.997 -6.344 -0.820 1.00 0.00 O ATOM 0 H GLY A 14 18.123 -6.062 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.220 -7.618 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.727 -6.696 0.842 1.00 0.00 H new ATOM 340 N TRP A 15 15.656 -5.240 1.013 1.00 0.00 N ATOM 341 CA TRP A 15 14.358 -4.631 1.228 1.00 0.00 C ATOM 342 C TRP A 15 14.547 -3.186 1.668 1.00 0.00 C ATOM 343 O TRP A 15 15.476 -2.879 2.416 1.00 0.00 O ATOM 344 CB TRP A 15 13.550 -5.423 2.271 1.00 0.00 C ATOM 345 CG TRP A 15 13.714 -4.945 3.683 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.725 -5.245 4.551 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.821 -4.078 4.389 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.517 -4.609 5.752 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.354 -3.888 5.676 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.625 -3.443 4.052 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.729 -3.087 6.626 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.002 -2.649 4.994 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.555 -2.477 6.269 1.00 0.00 C ATOM 0 H TRP A 15 16.365 -4.983 1.699 1.00 0.00 H new ATOM 0 HA TRP A 15 13.795 -4.648 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.494 -5.375 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.844 -6.471 2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.564 -5.887 4.327 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.128 -4.665 6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.194 -3.571 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.154 -2.951 7.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.075 -2.154 4.744 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.045 -1.850 6.986 1.00 0.00 H new ATOM 364 N GLN A 16 13.700 -2.300 1.174 1.00 0.00 N ATOM 365 CA GLN A 16 13.759 -0.901 1.565 1.00 0.00 C ATOM 366 C GLN A 16 12.384 -0.382 1.953 1.00 0.00 C ATOM 367 O GLN A 16 11.429 -0.488 1.180 1.00 0.00 O ATOM 368 CB GLN A 16 14.351 -0.048 0.440 1.00 0.00 C ATOM 369 CG GLN A 16 15.838 -0.280 0.226 1.00 0.00 C ATOM 370 CD GLN A 16 16.671 0.098 1.439 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.321 1.008 2.194 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.772 -0.608 1.644 1.00 0.00 N ATOM 0 H GLN A 16 12.965 -2.523 0.503 1.00 0.00 H new ATOM 0 HA GLN A 16 14.409 -0.827 2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.820 -0.263 -0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.184 1.005 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.007 -1.330 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.172 0.300 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.028 -1.353 0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.364 -0.407 2.450 1.00 0.00 H new ATOM 381 N PRO A 17 12.260 0.154 3.176 1.00 0.00 N ATOM 382 CA PRO A 17 11.031 0.804 3.632 1.00 0.00 C ATOM 383 C PRO A 17 10.736 2.081 2.848 1.00 0.00 C ATOM 384 O PRO A 17 11.600 2.948 2.689 1.00 0.00 O ATOM 385 CB PRO A 17 11.316 1.131 5.099 1.00 0.00 C ATOM 386 CG PRO A 17 12.801 1.174 5.198 1.00 0.00 C ATOM 387 CD PRO A 17 13.297 0.145 4.225 1.00 0.00 C ATOM 0 HA PRO A 17 10.157 0.168 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.873 2.085 5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.897 0.374 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.182 2.165 4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.134 0.949 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.277 0.406 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.393 -0.836 4.689 1.00 0.00 H new ATOM 395 N ARG A 18 9.520 2.184 2.350 1.00 0.00 N ATOM 396 CA ARG A 18 9.083 3.366 1.625 1.00 0.00 C ATOM 397 C ARG A 18 7.884 3.982 2.325 1.00 0.00 C ATOM 398 O ARG A 18 7.154 3.288 3.031 1.00 0.00 O ATOM 399 CB ARG A 18 8.722 3.012 0.179 1.00 0.00 C ATOM 400 CG ARG A 18 9.913 2.889 -0.760 1.00 0.00 C ATOM 401 CD ARG A 18 10.567 4.242 -1.010 1.00 0.00 C ATOM 402 NE ARG A 18 11.420 4.225 -2.196 1.00 0.00 N ATOM 403 CZ ARG A 18 12.058 5.295 -2.671 1.00 0.00 C ATOM 404 NH1 ARG A 18 12.013 6.448 -2.016 1.00 0.00 N ATOM 405 NH2 ARG A 18 12.745 5.210 -3.801 1.00 0.00 N ATOM 0 H ARG A 18 8.809 1.457 2.434 1.00 0.00 H new ATOM 0 HA ARG A 18 9.901 4.087 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.175 2.069 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.047 3.774 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.645 2.203 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.588 2.460 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.795 5.002 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.160 4.524 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 18 11.534 3.340 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.488 6.519 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.503 7.263 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.786 4.326 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.233 6.029 -4.164 1.00 0.00 H new ATOM 419 N TRP A 19 7.679 5.274 2.124 1.00 0.00 N ATOM 420 CA TRP A 19 6.582 5.973 2.773 1.00 0.00 C ATOM 421 C TRP A 19 5.376 6.006 1.851 1.00 0.00 C ATOM 422 O TRP A 19 5.451 6.501 0.723 1.00 0.00 O ATOM 423 CB TRP A 19 7.005 7.398 3.153 1.00 0.00 C ATOM 424 CG TRP A 19 6.004 8.123 4.009 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.029 8.986 3.592 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.884 8.048 5.435 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.315 9.449 4.670 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.820 8.888 5.811 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.575 7.351 6.429 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.430 9.048 7.138 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.188 7.511 7.746 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.123 8.353 8.090 1.00 0.00 C ATOM 0 H TRP A 19 8.256 5.858 1.519 1.00 0.00 H new ATOM 0 HA TRP A 19 6.315 5.441 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.957 7.355 3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.172 7.972 2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.847 9.263 2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.535 10.105 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.397 6.699 6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.610 9.698 7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.716 6.978 8.523 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.843 8.455 9.128 1.00 0.00 H new ATOM 443 N PHE A 20 4.273 5.455 2.329 1.00 0.00 N ATOM 444 CA PHE A 20 3.044 5.401 1.558 1.00 0.00 C ATOM 445 C PHE A 20 1.917 6.077 2.323 1.00 0.00 C ATOM 446 O PHE A 20 1.890 6.056 3.556 1.00 0.00 O ATOM 447 CB PHE A 20 2.655 3.951 1.247 1.00 0.00 C ATOM 448 CG PHE A 20 3.641 3.218 0.379 1.00 0.00 C ATOM 449 CD1 PHE A 20 3.561 3.296 -1.002 1.00 0.00 C ATOM 450 CD2 PHE A 20 4.638 2.441 0.944 1.00 0.00 C ATOM 451 CE1 PHE A 20 4.459 2.614 -1.802 1.00 0.00 C ATOM 452 CE2 PHE A 20 5.537 1.756 0.149 1.00 0.00 C ATOM 453 CZ PHE A 20 5.448 1.843 -1.225 1.00 0.00 C ATOM 0 H PHE A 20 4.205 5.035 3.256 1.00 0.00 H new ATOM 0 HA PHE A 20 3.212 5.926 0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.541 3.408 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.682 3.946 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.788 3.896 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.714 2.369 2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.387 2.684 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.309 1.153 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.151 1.309 -1.848 1.00 0.00 H new ATOM 463 N VAL A 21 0.995 6.687 1.596 1.00 0.00 N ATOM 464 CA VAL A 21 -0.158 7.328 2.206 1.00 0.00 C ATOM 465 C VAL A 21 -1.431 6.956 1.450 1.00 0.00 C ATOM 466 O VAL A 21 -1.444 6.922 0.217 1.00 0.00 O ATOM 467 CB VAL A 21 -0.020 8.873 2.260 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.181 9.288 3.101 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.080 9.471 0.864 1.00 0.00 C ATOM 0 H VAL A 21 1.023 6.752 0.578 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.214 6.966 3.232 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.922 9.262 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.253 10.375 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.060 8.914 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.090 8.872 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.176 10.554 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.954 9.064 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.818 9.224 0.297 1.00 0.00 H new ATOM 479 N LEU A 22 -2.489 6.641 2.183 1.00 0.00 N ATOM 480 CA LEU A 22 -3.769 6.341 1.558 1.00 0.00 C ATOM 481 C LEU A 22 -4.676 7.548 1.722 1.00 0.00 C ATOM 482 O LEU A 22 -4.985 7.956 2.844 1.00 0.00 O ATOM 483 CB LEU A 22 -4.401 5.086 2.197 1.00 0.00 C ATOM 484 CG LEU A 22 -5.584 4.441 1.444 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.859 5.260 1.588 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.250 4.243 -0.030 1.00 0.00 C ATOM 0 H LEU A 22 -2.488 6.587 3.202 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.627 6.132 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.621 4.334 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.739 5.349 3.199 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.759 3.466 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.668 4.773 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.125 5.336 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.698 6.258 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.100 3.787 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.030 5.208 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.381 3.592 -0.122 1.00 0.00 H new ATOM 498 N ASP A 23 -5.098 8.112 0.604 1.00 0.00 N ATOM 499 CA ASP A 23 -5.910 9.323 0.626 1.00 0.00 C ATOM 500 C ASP A 23 -6.939 9.310 -0.499 1.00 0.00 C ATOM 501 O ASP A 23 -6.588 9.171 -1.669 1.00 0.00 O ATOM 502 CB ASP A 23 -5.017 10.571 0.508 1.00 0.00 C ATOM 503 CG ASP A 23 -5.801 11.871 0.599 1.00 0.00 C ATOM 504 OD1 ASP A 23 -6.463 12.249 -0.389 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.754 12.529 1.662 1.00 0.00 O ATOM 0 H ASP A 23 -4.894 7.755 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.440 9.355 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.266 10.550 1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.483 10.541 -0.442 1.00 0.00 H new ATOM 510 N ASN A 24 -8.213 9.395 -0.122 1.00 0.00 N ATOM 511 CA ASN A 24 -9.319 9.573 -1.075 1.00 0.00 C ATOM 512 C ASN A 24 -9.407 8.412 -2.072 1.00 0.00 C ATOM 513 O ASN A 24 -9.865 8.574 -3.203 1.00 0.00 O ATOM 514 CB ASN A 24 -9.162 10.910 -1.821 1.00 0.00 C ATOM 515 CG ASN A 24 -10.424 11.366 -2.524 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.370 11.976 -3.592 1.00 0.00 O ATOM 517 ND2 ASN A 24 -11.566 11.106 -1.914 1.00 0.00 N ATOM 0 H ASN A 24 -8.513 9.343 0.851 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.249 9.584 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.854 11.678 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.362 10.815 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.446 11.414 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.568 10.598 -1.030 1.00 0.00 H new ATOM 524 N GLY A 25 -8.991 7.236 -1.635 1.00 0.00 N ATOM 525 CA GLY A 25 -9.034 6.064 -2.496 1.00 0.00 C ATOM 526 C GLY A 25 -7.810 5.948 -3.382 1.00 0.00 C ATOM 527 O GLY A 25 -7.757 5.101 -4.274 1.00 0.00 O ATOM 0 H GLY A 25 -8.623 7.066 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.119 5.168 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.927 6.108 -3.120 1.00 0.00 H new ATOM 531 N ILE A 26 -6.836 6.812 -3.154 1.00 0.00 N ATOM 532 CA ILE A 26 -5.591 6.766 -3.897 1.00 0.00 C ATOM 533 C ILE A 26 -4.437 6.426 -2.959 1.00 0.00 C ATOM 534 O ILE A 26 -4.345 6.966 -1.858 1.00 0.00 O ATOM 535 CB ILE A 26 -5.302 8.113 -4.604 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.496 8.543 -5.470 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.042 8.016 -5.452 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.935 7.498 -6.477 1.00 0.00 C ATOM 0 H ILE A 26 -6.885 7.556 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.688 5.994 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.145 8.870 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.337 8.781 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.235 9.458 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.857 8.973 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.194 7.763 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.171 7.242 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.782 7.877 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.110 7.276 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.229 6.589 -5.953 1.00 0.00 H new ATOM 550 N LEU A 27 -3.583 5.510 -3.383 1.00 0.00 N ATOM 551 CA LEU A 27 -2.414 5.141 -2.606 1.00 0.00 C ATOM 552 C LEU A 27 -1.178 5.774 -3.246 1.00 0.00 C ATOM 553 O LEU A 27 -0.769 5.397 -4.343 1.00 0.00 O ATOM 554 CB LEU A 27 -2.305 3.604 -2.536 1.00 0.00 C ATOM 555 CG LEU A 27 -1.351 3.026 -1.478 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.105 3.239 -1.867 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.640 3.635 -0.110 1.00 0.00 C ATOM 0 H LEU A 27 -3.679 5.007 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.497 5.510 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.301 3.200 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.989 3.241 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.523 1.951 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.752 2.819 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.304 2.745 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.303 4.306 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.956 3.215 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.504 4.716 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.667 3.410 0.179 1.00 0.00 H new ATOM 569 N SER A 28 -0.597 6.745 -2.568 1.00 0.00 N ATOM 570 CA SER A 28 0.534 7.476 -3.118 1.00 0.00 C ATOM 571 C SER A 28 1.827 7.104 -2.408 1.00 0.00 C ATOM 572 O SER A 28 1.848 6.922 -1.190 1.00 0.00 O ATOM 573 CB SER A 28 0.289 8.979 -3.006 1.00 0.00 C ATOM 574 OG SER A 28 -0.881 9.357 -3.710 1.00 0.00 O ATOM 0 H SER A 28 -0.887 7.047 -1.638 1.00 0.00 H new ATOM 0 HA SER A 28 0.635 7.204 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.192 9.258 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.147 9.521 -3.402 1.00 0.00 H new ATOM 0 HG SER A 28 -1.018 10.323 -3.622 1.00 0.00 H new ATOM 580 N TYR A 29 2.899 6.985 -3.180 1.00 0.00 N ATOM 581 CA TYR A 29 4.208 6.678 -2.628 1.00 0.00 C ATOM 582 C TYR A 29 5.061 7.937 -2.595 1.00 0.00 C ATOM 583 O TYR A 29 4.934 8.804 -3.466 1.00 0.00 O ATOM 584 CB TYR A 29 4.910 5.587 -3.451 1.00 0.00 C ATOM 585 CG TYR A 29 5.275 6.002 -4.864 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.342 5.944 -5.893 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.556 6.448 -5.169 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.676 6.318 -7.181 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.895 6.825 -6.453 1.00 0.00 C ATOM 590 CZ TYR A 29 5.953 6.758 -7.455 1.00 0.00 C ATOM 591 OH TYR A 29 6.289 7.135 -8.735 1.00 0.00 O ATOM 0 H TYR A 29 2.885 7.097 -4.194 1.00 0.00 H new ATOM 0 HA TYR A 29 4.075 6.304 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.817 5.283 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.262 4.712 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.340 5.601 -5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.299 6.500 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.940 6.266 -7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.895 7.171 -6.671 1.00 0.00 H new ATOM 0 HH TYR A 29 7.226 7.420 -8.757 1.00 0.00 H new ATOM 601 N TYR A 30 5.906 8.043 -1.586 1.00 0.00 N ATOM 602 CA TYR A 30 6.799 9.182 -1.449 1.00 0.00 C ATOM 603 C TYR A 30 8.182 8.725 -1.014 1.00 0.00 C ATOM 604 O TYR A 30 8.341 7.657 -0.415 1.00 0.00 O ATOM 605 CB TYR A 30 6.235 10.186 -0.438 1.00 0.00 C ATOM 606 CG TYR A 30 4.984 10.882 -0.922 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.046 11.812 -1.949 1.00 0.00 C ATOM 608 CD2 TYR A 30 3.745 10.604 -0.363 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.912 12.449 -2.404 1.00 0.00 C ATOM 610 CE2 TYR A 30 2.604 11.238 -0.815 1.00 0.00 C ATOM 611 CZ TYR A 30 2.694 12.159 -1.836 1.00 0.00 C ATOM 612 OH TYR A 30 1.563 12.793 -2.290 1.00 0.00 O ATOM 0 H TYR A 30 5.994 7.349 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 30 6.882 9.671 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.016 9.667 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.996 10.934 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.000 12.041 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.672 9.882 0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.980 13.173 -3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.646 11.013 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 30 0.785 12.476 -1.785 1.00 0.00 H new ATOM 622 N ASP A 31 9.180 9.539 -1.335 1.00 0.00 N ATOM 623 CA ASP A 31 10.563 9.240 -0.979 1.00 0.00 C ATOM 624 C ASP A 31 10.799 9.439 0.509 1.00 0.00 C ATOM 625 O ASP A 31 11.670 8.799 1.096 1.00 0.00 O ATOM 626 CB ASP A 31 11.539 10.106 -1.781 1.00 0.00 C ATOM 627 CG ASP A 31 11.861 9.513 -3.136 1.00 0.00 C ATOM 628 OD1 ASP A 31 12.789 8.677 -3.215 1.00 0.00 O ATOM 629 OD2 ASP A 31 11.195 9.872 -4.126 1.00 0.00 O ATOM 0 H ASP A 31 9.057 10.415 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 31 10.743 8.193 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.112 11.100 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.461 10.229 -1.213 1.00 0.00 H new ATOM 634 N SER A 32 10.022 10.327 1.111 1.00 0.00 N ATOM 635 CA SER A 32 10.121 10.593 2.535 1.00 0.00 C ATOM 636 C SER A 32 8.936 11.434 2.995 1.00 0.00 C ATOM 637 O SER A 32 8.055 11.758 2.199 1.00 0.00 O ATOM 638 CB SER A 32 11.440 11.308 2.863 1.00 0.00 C ATOM 639 OG SER A 32 11.658 11.383 4.264 1.00 0.00 O ATOM 0 H SER A 32 9.312 10.878 0.630 1.00 0.00 H new ATOM 0 HA SER A 32 10.106 9.641 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.269 10.778 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.424 12.313 2.442 1.00 0.00 H new ATOM 0 HG SER A 32 11.486 12.297 4.573 1.00 0.00 H new ATOM 645 N GLN A 33 8.931 11.804 4.264 1.00 0.00 N ATOM 646 CA GLN A 33 7.854 12.607 4.827 1.00 0.00 C ATOM 647 C GLN A 33 7.852 13.996 4.187 1.00 0.00 C ATOM 648 O GLN A 33 6.798 14.559 3.887 1.00 0.00 O ATOM 649 CB GLN A 33 8.024 12.684 6.353 1.00 0.00 C ATOM 650 CG GLN A 33 6.999 13.546 7.082 1.00 0.00 C ATOM 651 CD GLN A 33 7.475 14.971 7.299 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.219 15.859 6.486 1.00 0.00 O ATOM 653 NE2 GLN A 33 8.182 15.199 8.396 1.00 0.00 N ATOM 0 H GLN A 33 9.665 11.560 4.929 1.00 0.00 H new ATOM 0 HA GLN A 33 6.890 12.145 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.978 11.673 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.020 13.070 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.071 13.561 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.771 13.093 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.374 14.437 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.534 16.136 8.590 1.00 0.00 H new ATOM 662 N ASP A 34 9.048 14.521 3.944 1.00 0.00 N ATOM 663 CA ASP A 34 9.211 15.833 3.320 1.00 0.00 C ATOM 664 C ASP A 34 8.783 15.801 1.852 1.00 0.00 C ATOM 665 O ASP A 34 8.456 16.832 1.258 1.00 0.00 O ATOM 666 CB ASP A 34 10.672 16.280 3.433 1.00 0.00 C ATOM 667 CG ASP A 34 10.950 17.582 2.710 1.00 0.00 C ATOM 668 OD1 ASP A 34 10.564 18.651 3.229 1.00 0.00 O ATOM 669 OD2 ASP A 34 11.563 17.540 1.621 1.00 0.00 O ATOM 0 H ASP A 34 9.927 14.055 4.171 1.00 0.00 H new ATOM 0 HA ASP A 34 8.572 16.545 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.931 16.393 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.317 15.501 3.027 1.00 0.00 H new ATOM 674 N ASP A 35 8.764 14.610 1.278 1.00 0.00 N ATOM 675 CA ASP A 35 8.425 14.442 -0.132 1.00 0.00 C ATOM 676 C ASP A 35 6.908 14.415 -0.320 1.00 0.00 C ATOM 677 O ASP A 35 6.401 14.594 -1.424 1.00 0.00 O ATOM 678 CB ASP A 35 9.065 13.159 -0.674 1.00 0.00 C ATOM 679 CG ASP A 35 8.864 12.977 -2.167 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.222 13.894 -2.936 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.380 11.900 -2.574 1.00 0.00 O ATOM 0 H ASP A 35 8.980 13.740 1.765 1.00 0.00 H new ATOM 0 HA ASP A 35 8.818 15.290 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.133 13.173 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.644 12.301 -0.150 1.00 0.00 H new ATOM 686 N VAL A 36 6.189 14.231 0.783 1.00 0.00 N ATOM 687 CA VAL A 36 4.730 14.175 0.759 1.00 0.00 C ATOM 688 C VAL A 36 4.143 15.504 0.301 1.00 0.00 C ATOM 689 O VAL A 36 3.243 15.538 -0.537 1.00 0.00 O ATOM 690 CB VAL A 36 4.154 13.821 2.150 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.634 13.816 2.126 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.679 12.475 2.624 1.00 0.00 C ATOM 0 H VAL A 36 6.596 14.117 1.711 1.00 0.00 H new ATOM 0 HA VAL A 36 4.453 13.392 0.053 1.00 0.00 H new ATOM 0 HB VAL A 36 4.482 14.588 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.255 13.564 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.271 14.803 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.284 13.077 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.261 12.246 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.387 11.700 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.766 12.512 2.693 1.00 0.00 H new ATOM 782 N SER A 43 0.967 8.243 -8.730 1.00 0.00 N ATOM 783 CA SER A 43 0.322 7.611 -7.592 1.00 0.00 C ATOM 784 C SER A 43 -0.363 6.323 -8.032 1.00 0.00 C ATOM 785 O SER A 43 -0.435 6.028 -9.226 1.00 0.00 O ATOM 786 CB SER A 43 -0.695 8.564 -6.956 1.00 0.00 C ATOM 787 OG SER A 43 -0.062 9.734 -6.453 1.00 0.00 O ATOM 0 HA SER A 43 1.081 7.371 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.446 8.843 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.218 8.054 -6.147 1.00 0.00 H new ATOM 0 HG SER A 43 -0.223 9.804 -5.489 1.00 0.00 H new ATOM 793 N ILE A 44 -0.877 5.568 -7.075 1.00 0.00 N ATOM 794 CA ILE A 44 -1.537 4.313 -7.377 1.00 0.00 C ATOM 795 C ILE A 44 -3.028 4.437 -7.119 1.00 0.00 C ATOM 796 O ILE A 44 -3.464 4.715 -6.003 1.00 0.00 O ATOM 797 CB ILE A 44 -0.970 3.146 -6.535 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.533 2.973 -6.790 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.716 1.856 -6.854 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.177 1.905 -5.927 1.00 0.00 C ATOM 0 H ILE A 44 -0.849 5.804 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.354 4.093 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.112 3.381 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.688 2.723 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.035 3.924 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.308 1.042 -6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.774 1.981 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.601 1.621 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.239 1.839 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.054 2.164 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.702 0.944 -6.122 1.00 0.00 H new ATOM 812 N LYS A 45 -3.799 4.234 -8.166 1.00 0.00 N ATOM 813 CA LYS A 45 -5.244 4.316 -8.087 1.00 0.00 C ATOM 814 C LYS A 45 -5.813 2.994 -7.586 1.00 0.00 C ATOM 815 O LYS A 45 -5.722 1.979 -8.268 1.00 0.00 O ATOM 816 CB LYS A 45 -5.822 4.670 -9.465 1.00 0.00 C ATOM 817 CG LYS A 45 -7.274 4.267 -9.642 1.00 0.00 C ATOM 818 CD LYS A 45 -7.788 4.587 -11.037 1.00 0.00 C ATOM 819 CE LYS A 45 -7.754 6.076 -11.319 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.304 6.398 -12.662 1.00 0.00 N ATOM 0 H LYS A 45 -3.444 4.008 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.523 5.100 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.731 5.745 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.223 4.184 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.379 3.199 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.886 4.783 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.183 4.063 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.809 4.220 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.327 6.603 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.727 6.435 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.263 7.426 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.742 5.915 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.292 6.079 -12.718 1.00 0.00 H new ATOM 834 N MET A 46 -6.403 3.012 -6.395 1.00 0.00 N ATOM 835 CA MET A 46 -6.954 1.797 -5.802 1.00 0.00 C ATOM 836 C MET A 46 -8.115 1.260 -6.627 1.00 0.00 C ATOM 837 O MET A 46 -8.370 0.068 -6.649 1.00 0.00 O ATOM 838 CB MET A 46 -7.409 2.040 -4.367 1.00 0.00 C ATOM 839 CG MET A 46 -6.267 2.357 -3.413 1.00 0.00 C ATOM 840 SD MET A 46 -4.955 1.122 -3.456 1.00 0.00 S ATOM 841 CE MET A 46 -5.840 -0.303 -2.848 1.00 0.00 C ATOM 0 H MET A 46 -6.512 3.850 -5.823 1.00 0.00 H new ATOM 0 HA MET A 46 -6.158 1.053 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.121 2.865 -4.355 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.938 1.157 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.850 3.332 -3.665 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.658 2.430 -2.398 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.231 -0.820 -2.106 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.776 0.018 -2.390 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.054 -0.979 -3.676 1.00 0.00 H new ATOM 851 N ALA A 47 -8.802 2.148 -7.328 1.00 0.00 N ATOM 852 CA ALA A 47 -9.944 1.754 -8.148 1.00 0.00 C ATOM 853 C ALA A 47 -9.512 0.960 -9.384 1.00 0.00 C ATOM 854 O ALA A 47 -10.348 0.403 -10.099 1.00 0.00 O ATOM 855 CB ALA A 47 -10.743 2.983 -8.553 1.00 0.00 C ATOM 0 H ALA A 47 -8.592 3.146 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.575 1.098 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.593 2.679 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.103 3.494 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.107 3.658 -9.126 1.00 0.00 H new ATOM 861 N VAL A 48 -8.213 0.929 -9.649 1.00 0.00 N ATOM 862 CA VAL A 48 -7.685 0.145 -10.758 1.00 0.00 C ATOM 863 C VAL A 48 -6.595 -0.808 -10.261 1.00 0.00 C ATOM 864 O VAL A 48 -6.099 -1.651 -11.003 1.00 0.00 O ATOM 865 CB VAL A 48 -7.131 1.057 -11.877 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.832 1.719 -11.457 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.949 0.289 -13.174 1.00 0.00 C ATOM 0 H VAL A 48 -7.508 1.435 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.504 -0.440 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.867 1.842 -12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.469 2.353 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.004 2.327 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.089 0.953 -11.235 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.558 0.958 -13.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.248 -0.531 -13.016 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.910 -0.112 -13.497 1.00 0.00 H new ATOM 877 N CYS A 49 -6.234 -0.663 -8.995 1.00 0.00 N ATOM 878 CA CYS A 49 -5.193 -1.477 -8.392 1.00 0.00 C ATOM 879 C CYS A 49 -5.750 -2.222 -7.195 1.00 0.00 C ATOM 880 O CYS A 49 -6.286 -1.619 -6.268 1.00 0.00 O ATOM 881 CB CYS A 49 -4.012 -0.606 -7.963 1.00 0.00 C ATOM 882 SG CYS A 49 -2.698 -1.508 -7.109 1.00 0.00 S ATOM 0 H CYS A 49 -6.652 0.018 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.842 -2.197 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.592 -0.123 -8.845 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.378 0.186 -7.310 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.555 -0.933 -7.341 1.00 0.00 H new ATOM 888 N GLU A 50 -5.598 -3.526 -7.202 1.00 0.00 N ATOM 889 CA GLU A 50 -6.174 -4.344 -6.165 1.00 0.00 C ATOM 890 C GLU A 50 -5.221 -4.452 -4.991 1.00 0.00 C ATOM 891 O GLU A 50 -4.025 -4.684 -5.166 1.00 0.00 O ATOM 892 CB GLU A 50 -6.464 -5.754 -6.681 1.00 0.00 C ATOM 893 CG GLU A 50 -7.195 -5.809 -8.007 1.00 0.00 C ATOM 894 CD GLU A 50 -7.330 -7.232 -8.511 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.320 -7.799 -8.980 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.436 -7.800 -8.420 1.00 0.00 O ATOM 0 H GLU A 50 -5.081 -4.041 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.105 -3.872 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.520 -6.290 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.055 -6.284 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.185 -5.366 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.659 -5.211 -8.744 1.00 0.00 H new ATOM 903 N ILE A 51 -5.755 -4.270 -3.804 1.00 0.00 N ATOM 904 CA ILE A 51 -5.059 -4.663 -2.601 1.00 0.00 C ATOM 905 C ILE A 51 -5.611 -6.011 -2.206 1.00 0.00 C ATOM 906 O ILE A 51 -6.787 -6.145 -1.862 1.00 0.00 O ATOM 907 CB ILE A 51 -5.251 -3.643 -1.453 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.844 -4.228 -0.091 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.695 -3.169 -1.403 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.360 -4.480 0.074 1.00 0.00 C ATOM 0 H ILE A 51 -6.672 -3.851 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.986 -4.705 -2.789 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.598 -2.795 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.172 -3.547 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.377 -5.167 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.815 -2.452 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.955 -2.693 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.352 -4.022 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.169 -4.892 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.025 -5.187 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.817 -3.542 -0.040 1.00 0.00 H new ATOM 922 N LYS A 52 -4.782 -7.020 -2.283 1.00 0.00 N ATOM 923 CA LYS A 52 -5.275 -8.363 -2.114 1.00 0.00 C ATOM 924 C LYS A 52 -4.988 -8.837 -0.708 1.00 0.00 C ATOM 925 O LYS A 52 -3.843 -9.078 -0.326 1.00 0.00 O ATOM 926 CB LYS A 52 -4.701 -9.284 -3.197 1.00 0.00 C ATOM 927 CG LYS A 52 -4.821 -8.655 -4.584 1.00 0.00 C ATOM 928 CD LYS A 52 -4.789 -9.670 -5.716 1.00 0.00 C ATOM 929 CE LYS A 52 -6.175 -9.856 -6.323 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.109 -10.245 -7.760 1.00 0.00 N ATOM 0 H LYS A 52 -3.780 -6.941 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.357 -8.384 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.654 -9.494 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.227 -10.238 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.752 -8.091 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.008 -7.942 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.092 -9.339 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.421 -10.625 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.715 -10.621 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.741 -8.930 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.975 -10.758 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.023 -9.391 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.283 -10.857 -7.916 1.00 0.00 H new ATOM 944 N VAL A 53 -6.062 -8.932 0.057 1.00 0.00 N ATOM 945 CA VAL A 53 -5.999 -9.249 1.464 1.00 0.00 C ATOM 946 C VAL A 53 -6.715 -10.560 1.736 1.00 0.00 C ATOM 947 O VAL A 53 -7.865 -10.747 1.339 1.00 0.00 O ATOM 948 CB VAL A 53 -6.615 -8.105 2.312 1.00 0.00 C ATOM 949 CG1 VAL A 53 -6.855 -8.548 3.750 1.00 0.00 C ATOM 950 CG2 VAL A 53 -5.697 -6.895 2.283 1.00 0.00 C ATOM 0 H VAL A 53 -7.010 -8.789 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.953 -9.356 1.750 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.580 -7.840 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.287 -7.724 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.542 -9.395 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.908 -8.843 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.133 -6.093 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.725 -7.166 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.574 -6.556 1.254 1.00 0.00 H new ATOM 1025 N THR A 59 1.051 -9.294 8.685 1.00 0.00 N ATOM 1026 CA THR A 59 1.304 -8.347 7.587 1.00 0.00 C ATOM 1027 C THR A 59 0.948 -8.923 6.207 1.00 0.00 C ATOM 1028 O THR A 59 -0.227 -9.136 5.926 1.00 0.00 O ATOM 1029 CB THR A 59 2.755 -7.809 7.597 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.710 -8.876 7.615 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.978 -6.911 8.801 1.00 0.00 C ATOM 0 HA THR A 59 0.634 -7.506 7.769 1.00 0.00 H new ATOM 0 HB THR A 59 2.897 -7.235 6.682 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.327 -9.650 8.078 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.003 -6.541 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.288 -6.069 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.804 -7.478 9.715 1.00 0.00 H new ATOM 1039 N ARG A 60 1.979 -9.189 5.389 1.00 0.00 N ATOM 1040 CA ARG A 60 1.849 -9.738 4.021 1.00 0.00 C ATOM 1041 C ARG A 60 0.587 -9.301 3.254 1.00 0.00 C ATOM 1042 O ARG A 60 -0.481 -9.903 3.381 1.00 0.00 O ATOM 1043 CB ARG A 60 1.960 -11.264 4.063 1.00 0.00 C ATOM 1044 CG ARG A 60 1.087 -11.924 5.116 1.00 0.00 C ATOM 1045 CD ARG A 60 1.619 -13.297 5.464 1.00 0.00 C ATOM 1046 NE ARG A 60 1.493 -14.242 4.350 1.00 0.00 N ATOM 1047 CZ ARG A 60 2.170 -15.388 4.261 1.00 0.00 C ATOM 1048 NH1 ARG A 60 3.099 -15.687 5.163 1.00 0.00 N ATOM 1049 NH2 ARG A 60 1.941 -16.214 3.246 1.00 0.00 N ATOM 0 H ARG A 60 2.948 -9.027 5.662 1.00 0.00 H new ATOM 0 HA ARG A 60 2.674 -9.309 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.694 -11.663 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.999 -11.536 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.055 -11.303 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.064 -12.007 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.667 -13.216 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.080 -13.684 6.329 1.00 0.00 H new ATOM 0 HE ARG A 60 0.847 -14.008 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.296 -15.039 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.615 -16.564 5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.249 -15.971 2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.457 -17.091 3.176 1.00 0.00 H new ATOM 1063 N MET A 61 0.741 -8.276 2.415 1.00 0.00 N ATOM 1064 CA MET A 61 -0.339 -7.799 1.550 1.00 0.00 C ATOM 1065 C MET A 61 0.203 -7.585 0.132 1.00 0.00 C ATOM 1066 O MET A 61 1.407 -7.421 -0.050 1.00 0.00 O ATOM 1067 CB MET A 61 -0.937 -6.486 2.086 1.00 0.00 C ATOM 1068 CG MET A 61 -1.273 -6.519 3.568 1.00 0.00 C ATOM 1069 SD MET A 61 -0.085 -5.608 4.575 1.00 0.00 S ATOM 1070 CE MET A 61 -0.577 -3.926 4.203 1.00 0.00 C ATOM 0 H MET A 61 1.613 -7.756 2.316 1.00 0.00 H new ATOM 0 HA MET A 61 -1.130 -8.549 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.232 -5.676 1.902 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.842 -6.255 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.268 -6.100 3.720 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.309 -7.555 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.037 -3.237 4.853 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.345 -3.701 3.162 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.649 -3.816 4.368 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.665 -7.610 -0.873 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.224 -7.442 -2.258 1.00 0.00 C ATOM 1082 C GLU A 62 -0.990 -6.325 -2.967 1.00 0.00 C ATOM 1083 O GLU A 62 -2.202 -6.191 -2.798 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.386 -8.757 -3.029 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.122 -8.626 -4.521 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.161 -9.956 -5.246 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.239 -10.589 -5.295 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.889 -10.384 -5.764 1.00 0.00 O ATOM 0 H GLU A 62 -1.670 -7.744 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 62 0.829 -7.161 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.295 -9.499 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.398 -9.134 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.863 -7.958 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.853 -8.164 -4.673 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.268 -5.526 -3.753 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.871 -4.491 -4.588 1.00 0.00 C ATOM 1097 C LEU A 63 -0.660 -4.848 -6.060 1.00 0.00 C ATOM 1098 O LEU A 63 0.477 -4.996 -6.514 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.233 -3.122 -4.290 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.871 -2.293 -3.163 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.182 -1.666 -3.612 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.096 -3.144 -1.927 1.00 0.00 C ATOM 0 H LEU A 63 0.748 -5.579 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.937 -4.432 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.816 -3.282 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.258 -2.529 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.177 -1.491 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.608 -1.087 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.999 -1.010 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.880 -2.451 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.548 -2.536 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.760 -3.973 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.141 -3.536 -1.576 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.745 -4.983 -6.802 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.662 -5.348 -8.213 1.00 0.00 C ATOM 1116 C ILE A 64 -2.448 -4.370 -9.087 1.00 0.00 C ATOM 1117 O ILE A 64 -3.662 -4.239 -8.968 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.141 -6.808 -8.441 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.501 -7.074 -9.910 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.317 -7.130 -7.538 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.331 -6.966 -10.862 1.00 0.00 C ATOM 0 H ILE A 64 -2.695 -4.846 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.615 -5.288 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.310 -7.465 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.932 -8.072 -9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.272 -6.368 -10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.639 -8.157 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.018 -7.015 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.140 -6.450 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.669 -7.168 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.913 -5.961 -10.812 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.567 -7.691 -10.583 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.727 -3.682 -9.960 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.309 -2.717 -10.870 1.00 0.00 C ATOM 1135 C ILE A 65 -1.915 -3.066 -12.306 1.00 0.00 C ATOM 1136 O ILE A 65 -0.728 -3.104 -12.640 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.853 -1.277 -10.490 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.912 -0.309 -11.676 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.443 -1.308 -9.921 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.256 -0.209 -12.356 1.00 0.00 C ATOM 0 H ILE A 65 -0.716 -3.781 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.396 -2.751 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.550 -0.911 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.623 0.683 -11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.171 -0.617 -12.414 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.134 -0.296 -9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.424 -1.936 -9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.241 -1.715 -10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.194 0.500 -13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.543 -1.188 -12.740 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.002 0.133 -11.639 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.912 -3.363 -13.161 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.681 -3.691 -14.572 1.00 0.00 C ATOM 1154 C PRO A 66 -1.964 -2.568 -15.311 1.00 0.00 C ATOM 1155 O PRO A 66 -2.515 -1.486 -15.514 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.090 -3.885 -15.138 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.940 -4.193 -13.955 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.349 -3.405 -12.821 1.00 0.00 C ATOM 0 HA PRO A 66 -2.043 -4.567 -14.685 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.437 -2.988 -15.651 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.115 -4.697 -15.865 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.977 -3.909 -14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.935 -5.261 -13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.778 -2.405 -12.757 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.523 -3.888 -11.860 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.729 -2.838 -15.696 1.00 0.00 N ATOM 1167 CA GLY A 67 0.088 -1.848 -16.362 1.00 0.00 C ATOM 1168 C GLY A 67 1.481 -1.800 -15.776 1.00 0.00 C ATOM 1169 O GLY A 67 2.461 -2.097 -16.457 1.00 0.00 O ATOM 0 H GLY A 67 -0.272 -3.739 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.147 -2.078 -17.426 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.380 -0.868 -16.273 1.00 0.00 H new ATOM 1173 N GLU A 68 1.566 -1.446 -14.502 1.00 0.00 N ATOM 1174 CA GLU A 68 2.851 -1.374 -13.814 1.00 0.00 C ATOM 1175 C GLU A 68 3.035 -2.573 -12.889 1.00 0.00 C ATOM 1176 O GLU A 68 3.977 -3.347 -13.061 1.00 0.00 O ATOM 1177 CB GLU A 68 2.948 -0.073 -13.018 1.00 0.00 C ATOM 1178 CG GLU A 68 2.663 1.159 -13.858 1.00 0.00 C ATOM 1179 CD GLU A 68 3.032 2.448 -13.159 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.189 2.989 -12.417 1.00 0.00 O ATOM 1181 OE2 GLU A 68 4.163 2.934 -13.363 1.00 0.00 O ATOM 0 H GLU A 68 0.762 -1.204 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 68 3.644 -1.392 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.245 -0.109 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.946 0.010 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.215 1.089 -14.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.604 1.181 -14.113 1.00 0.00 H new ATOM 1188 N GLN A 69 2.126 -2.705 -11.916 1.00 0.00 N ATOM 1189 CA GLN A 69 2.085 -3.829 -10.963 1.00 0.00 C ATOM 1190 C GLN A 69 3.446 -4.142 -10.324 1.00 0.00 C ATOM 1191 O GLN A 69 4.344 -3.296 -10.293 1.00 0.00 O ATOM 1192 CB GLN A 69 1.486 -5.089 -11.618 1.00 0.00 C ATOM 1193 CG GLN A 69 2.349 -5.741 -12.691 1.00 0.00 C ATOM 1194 CD GLN A 69 1.766 -7.043 -13.203 1.00 0.00 C ATOM 1195 OE1 GLN A 69 2.029 -8.112 -12.651 1.00 0.00 O ATOM 1196 NE2 GLN A 69 0.979 -6.965 -14.265 1.00 0.00 N ATOM 0 H GLN A 69 1.383 -2.023 -11.763 1.00 0.00 H new ATOM 0 HA GLN A 69 1.433 -3.508 -10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.289 -5.824 -10.838 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.524 -4.826 -12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.468 -5.049 -13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.344 -5.928 -12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.787 -6.059 -14.692 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.565 -7.811 -14.656 1.00 0.00 H new ATOM 1205 N HIS A 70 3.564 -5.360 -9.780 1.00 0.00 N ATOM 1206 CA HIS A 70 4.770 -5.806 -9.086 1.00 0.00 C ATOM 1207 C HIS A 70 4.975 -4.988 -7.811 1.00 0.00 C ATOM 1208 O HIS A 70 6.057 -4.467 -7.547 1.00 0.00 O ATOM 1209 CB HIS A 70 5.998 -5.728 -10.012 1.00 0.00 C ATOM 1210 CG HIS A 70 7.246 -6.350 -9.446 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.449 -7.711 -9.391 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.362 -5.788 -8.919 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.629 -7.960 -8.854 1.00 0.00 C ATOM 1214 NE2 HIS A 70 9.204 -6.811 -8.559 1.00 0.00 N ATOM 0 H HIS A 70 2.824 -6.061 -9.811 1.00 0.00 H new ATOM 0 HA HIS A 70 4.646 -6.851 -8.802 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.758 -6.219 -10.955 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.200 -4.681 -10.240 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.553 -4.731 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.052 -8.939 -8.685 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.124 -6.700 -8.133 1.00 0.00 H new ATOM 1223 N PHE A 71 3.918 -4.867 -7.021 1.00 0.00 N ATOM 1224 CA PHE A 71 4.011 -4.176 -5.750 1.00 0.00 C ATOM 1225 C PHE A 71 3.647 -5.116 -4.614 1.00 0.00 C ATOM 1226 O PHE A 71 2.495 -5.526 -4.473 1.00 0.00 O ATOM 1227 CB PHE A 71 3.097 -2.946 -5.719 1.00 0.00 C ATOM 1228 CG PHE A 71 3.464 -1.884 -6.717 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.615 -1.131 -6.553 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.657 -1.636 -7.815 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.954 -0.149 -7.463 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.990 -0.654 -8.729 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.139 0.090 -8.553 1.00 0.00 C ATOM 0 H PHE A 71 2.993 -5.237 -7.239 1.00 0.00 H new ATOM 0 HA PHE A 71 5.041 -3.841 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.071 -3.264 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.121 -2.514 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.255 -1.314 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.758 -2.216 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.854 0.431 -7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.352 -0.469 -9.580 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.401 0.858 -9.266 1.00 0.00 H new ATOM 1243 N TYR A 72 4.634 -5.461 -3.811 1.00 0.00 N ATOM 1244 CA TYR A 72 4.398 -6.275 -2.637 1.00 0.00 C ATOM 1245 C TYR A 72 4.373 -5.363 -1.421 1.00 0.00 C ATOM 1246 O TYR A 72 5.174 -4.432 -1.329 1.00 0.00 O ATOM 1247 CB TYR A 72 5.483 -7.350 -2.493 1.00 0.00 C ATOM 1248 CG TYR A 72 5.062 -8.519 -1.628 1.00 0.00 C ATOM 1249 CD1 TYR A 72 4.394 -9.604 -2.183 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.327 -8.540 -0.265 1.00 0.00 C ATOM 1251 CE1 TYR A 72 4.000 -10.674 -1.406 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.938 -9.610 0.520 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.274 -10.673 -0.056 1.00 0.00 C ATOM 1254 OH TYR A 72 3.879 -11.738 0.722 1.00 0.00 O ATOM 0 H TYR A 72 5.607 -5.190 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 72 3.443 -6.791 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.752 -7.719 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.378 -6.897 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.179 -9.610 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.845 -7.708 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.480 -11.508 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.153 -9.613 1.578 1.00 0.00 H new ATOM 0 HH TYR A 72 4.149 -11.582 1.651 1.00 0.00 H new ATOM 1264 N MET A 73 3.457 -5.613 -0.506 1.00 0.00 N ATOM 1265 CA MET A 73 3.285 -4.749 0.647 1.00 0.00 C ATOM 1266 C MET A 73 3.489 -5.553 1.923 1.00 0.00 C ATOM 1267 O MET A 73 3.020 -6.685 2.037 1.00 0.00 O ATOM 1268 CB MET A 73 1.871 -4.164 0.653 1.00 0.00 C ATOM 1269 CG MET A 73 1.776 -2.696 1.054 1.00 0.00 C ATOM 1270 SD MET A 73 2.057 -1.560 -0.323 1.00 0.00 S ATOM 1271 CE MET A 73 1.482 -0.014 0.387 1.00 0.00 C ATOM 0 H MET A 73 2.819 -6.408 -0.538 1.00 0.00 H new ATOM 0 HA MET A 73 4.016 -3.942 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.443 -4.280 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.256 -4.751 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.790 -2.505 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.505 -2.493 1.838 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.885 0.525 -0.349 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.872 -0.222 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.339 0.595 0.675 1.00 0.00 H new ATOM 1281 N LYS A 74 4.187 -4.980 2.880 1.00 0.00 N ATOM 1282 CA LYS A 74 4.305 -5.598 4.187 1.00 0.00 C ATOM 1283 C LYS A 74 4.475 -4.522 5.235 1.00 0.00 C ATOM 1284 O LYS A 74 5.418 -3.735 5.186 1.00 0.00 O ATOM 1285 CB LYS A 74 5.485 -6.570 4.241 1.00 0.00 C ATOM 1286 CG LYS A 74 5.473 -7.472 5.464 1.00 0.00 C ATOM 1287 CD LYS A 74 6.818 -8.146 5.681 1.00 0.00 C ATOM 1288 CE LYS A 74 7.826 -7.196 6.314 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.399 -6.762 7.672 1.00 0.00 N ATOM 0 H LYS A 74 4.679 -4.092 2.781 1.00 0.00 H new ATOM 0 HA LYS A 74 3.396 -6.167 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.477 -7.188 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.415 -6.001 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.214 -6.886 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.700 -8.232 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.689 -9.019 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.204 -8.504 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.797 -7.686 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.952 -6.321 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.224 -6.410 8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.693 -6.003 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.982 -7.569 8.179 1.00 0.00 H new ATOM 1303 N ALA A 75 3.548 -4.488 6.171 1.00 0.00 N ATOM 1304 CA ALA A 75 3.572 -3.504 7.232 1.00 0.00 C ATOM 1305 C ALA A 75 4.623 -3.861 8.276 1.00 0.00 C ATOM 1306 O ALA A 75 5.332 -4.861 8.133 1.00 0.00 O ATOM 1307 CB ALA A 75 2.193 -3.400 7.860 1.00 0.00 C ATOM 0 H ALA A 75 2.763 -5.137 6.217 1.00 0.00 H new ATOM 0 HA ALA A 75 3.841 -2.534 6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.212 -2.659 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.470 -3.098 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.906 -4.368 8.270 1.00 0.00 H new ATOM 1313 N VAL A 76 4.729 -3.040 9.312 1.00 0.00 N ATOM 1314 CA VAL A 76 5.662 -3.302 10.401 1.00 0.00 C ATOM 1315 C VAL A 76 5.300 -4.611 11.098 1.00 0.00 C ATOM 1316 O VAL A 76 6.106 -5.541 11.164 1.00 0.00 O ATOM 1317 CB VAL A 76 5.662 -2.152 11.431 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.672 -2.414 12.535 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.943 -0.820 10.748 1.00 0.00 C ATOM 0 H VAL A 76 4.181 -2.187 9.422 1.00 0.00 H new ATOM 0 HA VAL A 76 6.661 -3.378 9.972 1.00 0.00 H new ATOM 0 HB VAL A 76 4.672 -2.102 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.653 -1.590 13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.419 -3.343 13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.669 -2.498 12.103 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.939 -0.022 11.491 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.918 -0.859 10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.173 -0.625 10.001 1.00 0.00 H new ATOM 1329 N ASN A 77 4.072 -4.681 11.598 1.00 0.00 N ATOM 1330 CA ASN A 77 3.562 -5.901 12.209 1.00 0.00 C ATOM 1331 C ASN A 77 2.086 -6.094 11.872 1.00 0.00 C ATOM 1332 O ASN A 77 1.483 -5.243 11.222 1.00 0.00 O ATOM 1333 CB ASN A 77 3.758 -5.890 13.731 1.00 0.00 C ATOM 1334 CG ASN A 77 3.050 -4.733 14.411 1.00 0.00 C ATOM 1335 OD1 ASN A 77 1.852 -4.795 14.674 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.793 -3.687 14.731 1.00 0.00 N ATOM 0 H ASN A 77 3.410 -3.905 11.592 1.00 0.00 H new ATOM 0 HA ASN A 77 4.131 -6.736 11.800 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.390 -6.828 14.146 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.824 -5.839 13.954 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.374 -2.893 15.214 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.785 -3.675 14.495 1.00 0.00 H new ATOM 1343 N ALA A 78 1.531 -7.225 12.287 1.00 0.00 N ATOM 1344 CA ALA A 78 0.132 -7.577 12.022 1.00 0.00 C ATOM 1345 C ALA A 78 -0.838 -6.420 12.304 1.00 0.00 C ATOM 1346 O ALA A 78 -1.732 -6.153 11.503 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.252 -8.801 12.840 1.00 0.00 C ATOM 0 H ALA A 78 2.037 -7.932 12.821 1.00 0.00 H new ATOM 0 HA ALA A 78 0.050 -7.800 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.292 -9.060 12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.390 -9.638 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.129 -8.583 13.901 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.661 -5.734 13.430 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.512 -4.601 13.780 1.00 0.00 C ATOM 1355 C ALA A 79 -1.391 -3.483 12.750 1.00 0.00 C ATOM 1356 O ALA A 79 -2.390 -2.910 12.313 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.146 -4.093 15.155 1.00 0.00 C ATOM 0 H ALA A 79 0.064 -5.943 14.116 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.549 -4.937 13.786 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.784 -3.247 15.412 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.287 -4.889 15.886 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.103 -3.776 15.160 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.156 -3.191 12.361 1.00 0.00 N ATOM 1364 CA GLU A 80 0.113 -2.209 11.319 1.00 0.00 C ATOM 1365 C GLU A 80 -0.525 -2.645 10.006 1.00 0.00 C ATOM 1366 O GLU A 80 -1.064 -1.827 9.260 1.00 0.00 O ATOM 1367 CB GLU A 80 1.620 -2.026 11.149 1.00 0.00 C ATOM 1368 CG GLU A 80 2.272 -1.299 12.310 1.00 0.00 C ATOM 1369 CD GLU A 80 1.907 0.172 12.349 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.758 0.494 12.712 1.00 0.00 O ATOM 1371 OE2 GLU A 80 2.765 1.008 11.999 1.00 0.00 O ATOM 0 H GLU A 80 0.680 -3.624 12.755 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.322 -1.254 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.087 -3.004 11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.810 -1.472 10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.971 -1.770 13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.355 -1.400 12.236 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.468 -3.946 9.744 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.141 -4.535 8.594 1.00 0.00 C ATOM 1380 C ARG A 81 -2.625 -4.225 8.647 1.00 0.00 C ATOM 1381 O ARG A 81 -3.219 -3.813 7.658 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.951 -6.052 8.590 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.853 -6.781 7.604 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.263 -8.151 8.129 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.145 -8.052 9.298 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.497 -9.087 10.064 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -3.027 -10.302 9.801 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.327 -8.906 11.090 1.00 0.00 N ATOM 0 H ARG A 81 0.042 -4.617 10.318 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.708 -4.112 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.089 -6.278 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.140 -6.435 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.743 -6.182 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.335 -6.895 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.770 -8.705 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.371 -8.719 8.395 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.513 -7.132 9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.396 -10.445 9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.297 -11.091 10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.694 -7.976 11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.595 -9.698 11.675 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.204 -4.409 9.826 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.634 -4.224 10.020 1.00 0.00 C ATOM 1404 C GLN A 82 -5.030 -2.780 9.740 1.00 0.00 C ATOM 1405 O GLN A 82 -6.112 -2.519 9.223 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.035 -4.616 11.447 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.538 -4.671 11.656 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.199 -5.705 10.767 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.602 -6.734 10.443 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.426 -5.431 10.352 1.00 0.00 N ATOM 0 H GLN A 82 -2.700 -4.688 10.668 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.162 -4.870 9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.607 -5.590 11.682 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.604 -3.901 12.147 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.750 -4.902 12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.968 -3.690 11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.882 -4.567 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.915 -6.084 9.739 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.143 -1.848 10.071 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.394 -0.434 9.819 1.00 0.00 C ATOM 1421 C ARG A 83 -4.446 -0.153 8.319 1.00 0.00 C ATOM 1422 O ARG A 83 -5.342 0.545 7.837 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.310 0.419 10.471 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.339 0.398 11.989 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.220 1.245 12.568 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.322 2.643 12.156 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.271 3.440 11.964 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.034 2.979 12.141 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.457 4.702 11.590 1.00 0.00 N ATOM 0 H ARG A 83 -3.246 -2.046 10.514 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.360 -0.176 10.254 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.335 0.071 10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.418 1.449 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.301 0.769 12.343 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.243 -0.628 12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.246 1.185 13.656 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.259 0.842 12.249 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.253 3.032 12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.114 2.011 12.425 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.766 3.594 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.402 5.059 11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.654 5.314 11.442 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.499 -0.720 7.580 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.506 -0.609 6.126 1.00 0.00 C ATOM 1445 C TRP A 84 -4.699 -1.355 5.555 1.00 0.00 C ATOM 1446 O TRP A 84 -5.304 -0.928 4.584 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.204 -1.141 5.523 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.050 -0.220 5.757 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.082 -0.348 6.705 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.756 0.984 5.038 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.785 0.714 6.639 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.395 1.542 5.623 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.353 1.647 3.962 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.955 2.732 5.171 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.792 2.824 3.511 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.352 3.357 4.115 1.00 0.00 C ATOM 0 H TRP A 84 -2.721 -1.258 7.961 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.587 0.446 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.980 -2.117 5.953 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.337 -1.288 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.007 -1.166 7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.589 0.862 7.249 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.238 1.245 3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.836 3.148 5.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.243 3.342 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.767 4.281 3.740 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.036 -2.466 6.185 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.184 -3.269 5.794 1.00 0.00 C ATOM 1469 C LEU A 85 -7.493 -2.503 5.963 1.00 0.00 C ATOM 1470 O LEU A 85 -8.437 -2.719 5.214 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.207 -4.576 6.584 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.657 -5.795 5.843 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.276 -5.509 5.262 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.602 -6.981 6.786 1.00 0.00 C ATOM 0 H LEU A 85 -4.522 -2.839 6.983 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.085 -3.503 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.633 -4.438 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.235 -4.784 6.881 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.323 -6.027 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.910 -6.394 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.341 -4.676 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.588 -5.252 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.210 -7.849 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.952 -6.746 7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.605 -7.202 7.152 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.566 -1.634 6.956 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.741 -0.800 7.131 1.00 0.00 C ATOM 1488 C VAL A 86 -8.913 0.151 5.946 1.00 0.00 C ATOM 1489 O VAL A 86 -9.980 0.199 5.331 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.655 0.012 8.437 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.768 1.046 8.512 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.714 -0.911 9.642 1.00 0.00 C ATOM 0 H VAL A 86 -6.831 -1.488 7.648 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.606 -1.460 7.186 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.700 0.538 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.683 1.605 9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.685 1.732 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.735 0.543 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.652 -0.320 10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.653 -1.465 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.880 -1.611 9.605 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.855 0.882 5.607 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.927 1.850 4.518 1.00 0.00 C ATOM 1504 C ALA A 87 -7.977 1.160 3.152 1.00 0.00 C ATOM 1505 O ALA A 87 -8.857 1.433 2.334 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.734 2.798 4.588 1.00 0.00 C ATOM 0 H ALA A 87 -6.946 0.824 6.066 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.850 2.419 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.793 3.518 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.745 3.327 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.810 2.227 4.501 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.038 0.252 2.928 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.922 -0.452 1.656 1.00 0.00 C ATOM 1514 C LEU A 88 -8.006 -1.520 1.497 1.00 0.00 C ATOM 1515 O LEU A 88 -8.631 -1.630 0.446 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.538 -1.090 1.533 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.360 -0.118 1.656 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.067 -0.882 1.893 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.249 0.744 0.405 1.00 0.00 C ATOM 0 H LEU A 88 -6.337 -0.018 3.618 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.058 0.280 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.439 -1.856 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.473 -1.596 0.570 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.537 0.536 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.239 -0.178 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.149 -1.459 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.885 -1.557 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.407 1.429 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.092 0.105 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.168 1.316 0.274 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.230 -2.294 2.551 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.144 -3.426 2.480 1.00 0.00 C ATOM 1533 C GLY A 89 -10.569 -3.021 2.172 1.00 0.00 C ATOM 1534 O GLY A 89 -11.275 -3.724 1.446 1.00 0.00 O ATOM 0 H GLY A 89 -7.793 -2.159 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.796 -4.119 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.122 -3.963 3.428 1.00 0.00 H new ATOM 1538 N SER A 90 -10.993 -1.885 2.715 1.00 0.00 N ATOM 1539 CA SER A 90 -12.321 -1.360 2.431 1.00 0.00 C ATOM 1540 C SER A 90 -12.458 -1.052 0.942 1.00 0.00 C ATOM 1541 O SER A 90 -13.553 -1.098 0.379 1.00 0.00 O ATOM 1542 CB SER A 90 -12.584 -0.105 3.262 1.00 0.00 C ATOM 1543 OG SER A 90 -12.458 -0.383 4.647 1.00 0.00 O ATOM 0 H SER A 90 -10.438 -1.313 3.352 1.00 0.00 H new ATOM 0 HA SER A 90 -13.061 -2.114 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.881 0.678 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.585 0.273 3.052 1.00 0.00 H new ATOM 0 HG SER A 90 -11.596 -0.048 4.971 1.00 0.00 H new ATOM 1549 N SER A 91 -11.333 -0.728 0.316 1.00 0.00 N ATOM 1550 CA SER A 91 -11.292 -0.487 -1.112 1.00 0.00 C ATOM 1551 C SER A 91 -11.468 -1.795 -1.887 1.00 0.00 C ATOM 1552 O SER A 91 -12.099 -1.805 -2.933 1.00 0.00 O ATOM 1553 CB SER A 91 -9.979 0.199 -1.501 1.00 0.00 C ATOM 1554 OG SER A 91 -9.993 0.623 -2.855 1.00 0.00 O ATOM 0 H SER A 91 -10.432 -0.627 0.784 1.00 0.00 H new ATOM 0 HA SER A 91 -12.117 0.176 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.810 1.058 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.148 -0.488 -1.343 1.00 0.00 H new ATOM 0 HG SER A 91 -9.873 1.595 -2.895 1.00 0.00 H new ATOM 1560 N LYS A 92 -10.919 -2.901 -1.370 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.006 -4.174 -2.039 1.00 0.00 C ATOM 1562 C LYS A 92 -12.433 -4.712 -1.982 1.00 0.00 C ATOM 1563 O LYS A 92 -12.961 -5.225 -2.971 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.042 -5.148 -1.373 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.340 -6.585 -1.691 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.518 -7.532 -0.836 1.00 0.00 C ATOM 1567 CE LYS A 92 -9.103 -8.767 -1.612 1.00 0.00 C ATOM 1568 NZ LYS A 92 -10.260 -9.529 -2.149 1.00 0.00 N ATOM 0 H LYS A 92 -10.411 -2.924 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.736 -4.053 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.025 -4.916 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.080 -5.006 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.401 -6.780 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.134 -6.775 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.630 -7.016 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.097 -7.829 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.455 -8.471 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.516 -9.417 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.923 -10.413 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.919 -9.751 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.749 -8.957 -2.867 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.047 -4.586 -0.813 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.400 -5.056 -0.601 1.00 0.00 C ATOM 1584 C ALA A 93 -15.401 -4.218 -1.392 1.00 0.00 C ATOM 1585 O ALA A 93 -15.729 -3.095 -1.001 1.00 0.00 O ATOM 1586 CB ALA A 93 -14.727 -5.031 0.883 1.00 0.00 C ATOM 0 H ALA A 93 -12.620 -4.157 0.008 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.473 -6.082 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.746 -5.386 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.033 -5.678 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.637 -4.012 1.258 1.00 0.00 H new