USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 110:sc= -1.87 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -139:sc= -2.72! (180deg=-5.68!) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0528 (180deg=-0.409) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -134:sc= 1.07 (180deg=-0.475) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.621 (180deg=0.13) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= -0.693 (180deg=-2!) USER MOD Single : A 45 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.3) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -106:sc= 0.245 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 CYS SG : rot -48:sc= -2.91 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.15 K(o=-1.1,f=-1.8) USER MOD Single : A 67 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.1!) USER MOD Single : A 71 MET CE :methyl -150:sc= -0.163 (180deg=-1.51!) USER MOD Single : A 74 SER OG : rot -69:sc= 0.842 USER MOD Single : A 75 SER OG : rot 50:sc= -0.074! USER MOD Single : A 78 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 83 GLN : amide:sc= -0.773! K(o=-0.77!,f=-1.6) USER MOD Single : A 88 MET CE :methyl 145:sc= -0.317 (180deg=-0.369) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc=-0.00167 (180deg=-0.103) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.54 K(o=0.54,f=-0.058) USER MOD Single : A 104 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.5!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -145:sc= 0.569 USER MOD Single : A 118 CYS SG : rot 180:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.482 19.151 2.969 1.00 0.00 N ATOM 121 CA ARG A 11 10.219 18.662 1.811 1.00 0.00 C ATOM 122 C ARG A 11 9.265 18.172 0.725 1.00 0.00 C ATOM 123 O ARG A 11 9.362 18.581 -0.433 1.00 0.00 O ATOM 124 CB ARG A 11 11.165 17.531 2.221 1.00 0.00 C ATOM 125 CG ARG A 11 12.256 17.969 3.184 1.00 0.00 C ATOM 126 CD ARG A 11 13.488 18.464 2.442 1.00 0.00 C ATOM 127 NE ARG A 11 13.363 19.865 2.048 1.00 0.00 N ATOM 128 CZ ARG A 11 14.322 20.541 1.424 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.469 19.947 1.125 1.00 0.00 N ATOM 130 NH2 ARG A 11 14.133 21.813 1.098 1.00 0.00 N ATOM 0 HA ARG A 11 10.805 19.489 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.584 16.732 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.628 17.113 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.876 18.761 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.530 17.134 3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.366 18.343 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.648 17.851 1.555 1.00 0.00 H new ATOM 0 HE ARG A 11 12.492 20.351 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.617 18.969 1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.203 20.468 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.251 22.272 1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.869 22.332 0.619 1.00 0.00 H new ATOM 144 N LEU A 12 8.343 17.296 1.107 1.00 0.00 N ATOM 145 CA LEU A 12 7.370 16.749 0.167 1.00 0.00 C ATOM 146 C LEU A 12 6.743 17.858 -0.673 1.00 0.00 C ATOM 147 O LEU A 12 6.730 19.028 -0.291 1.00 0.00 O ATOM 148 CB LEU A 12 6.280 15.984 0.918 1.00 0.00 C ATOM 149 CG LEU A 12 6.632 14.557 1.342 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.687 13.638 0.132 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.957 14.536 2.091 1.00 0.00 C ATOM 0 H LEU A 12 8.248 16.949 2.061 1.00 0.00 H new ATOM 0 HA LEU A 12 7.892 16.063 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.014 16.552 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.391 15.946 0.288 1.00 0.00 H new ATOM 0 HG LEU A 12 5.852 14.194 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.939 12.627 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.716 13.630 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.446 13.997 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.192 13.513 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.747 14.918 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.882 15.161 2.981 1.00 0.00 H new ATOM 163 N PRO A 13 6.208 17.482 -1.844 1.00 0.00 N ATOM 164 CA PRO A 13 5.566 18.429 -2.761 1.00 0.00 C ATOM 165 C PRO A 13 4.245 18.960 -2.215 1.00 0.00 C ATOM 166 O PRO A 13 3.230 18.263 -2.236 1.00 0.00 O ATOM 167 CB PRO A 13 5.327 17.595 -4.022 1.00 0.00 C ATOM 168 CG PRO A 13 5.252 16.188 -3.537 1.00 0.00 C ATOM 169 CD PRO A 13 6.187 16.104 -2.363 1.00 0.00 C ATOM 0 HA PRO A 13 6.180 19.314 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.405 17.891 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.136 17.723 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.234 15.930 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.545 15.489 -4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.829 15.398 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.181 15.773 -2.664 1.00 0.00 H new ATOM 177 N GLU A 14 4.265 20.196 -1.728 1.00 0.00 N ATOM 178 CA GLU A 14 3.067 20.819 -1.176 1.00 0.00 C ATOM 179 C GLU A 14 1.932 20.812 -2.196 1.00 0.00 C ATOM 180 O GLU A 14 0.755 20.802 -1.832 1.00 0.00 O ATOM 181 CB GLU A 14 3.366 22.255 -0.739 1.00 0.00 C ATOM 182 CG GLU A 14 3.864 23.143 -1.867 1.00 0.00 C ATOM 183 CD GLU A 14 4.026 24.589 -1.443 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.247 25.044 -0.579 1.00 0.00 O ATOM 185 OE2 GLU A 14 4.930 25.267 -1.974 1.00 0.00 O ATOM 0 H GLU A 14 5.097 20.786 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 14 2.755 20.240 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.462 22.693 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.113 22.236 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.821 22.765 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.165 23.089 -2.702 1.00 0.00 H new ATOM 192 N THR A 15 2.293 20.819 -3.475 1.00 0.00 N ATOM 193 CA THR A 15 1.306 20.815 -4.548 1.00 0.00 C ATOM 194 C THR A 15 0.684 19.434 -4.718 1.00 0.00 C ATOM 195 O THR A 15 -0.085 19.200 -5.651 1.00 0.00 O ATOM 196 CB THR A 15 1.930 21.253 -5.886 1.00 0.00 C ATOM 197 OG1 THR A 15 2.926 20.308 -6.295 1.00 0.00 O ATOM 198 CG2 THR A 15 2.555 22.635 -5.766 1.00 0.00 C ATOM 0 H THR A 15 3.262 20.827 -3.793 1.00 0.00 H new ATOM 0 HA THR A 15 0.530 21.527 -4.267 1.00 0.00 H new ATOM 0 HB THR A 15 1.138 21.293 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.317 20.593 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.989 22.922 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.789 23.357 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.335 22.617 -5.005 1.00 0.00 H new ATOM 206 N ILE A 16 1.020 18.523 -3.811 1.00 0.00 N ATOM 207 CA ILE A 16 0.492 17.166 -3.861 1.00 0.00 C ATOM 208 C ILE A 16 0.140 16.661 -2.465 1.00 0.00 C ATOM 209 O ILE A 16 0.686 17.132 -1.467 1.00 0.00 O ATOM 210 CB ILE A 16 1.497 16.194 -4.507 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.076 16.801 -5.786 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.828 14.860 -4.803 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.263 16.039 -6.333 1.00 0.00 C ATOM 0 H ILE A 16 1.655 18.700 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.411 17.201 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 16 2.314 16.021 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.296 16.837 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.375 17.830 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.551 14.184 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.459 14.424 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.006 15.015 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.621 16.526 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.060 16.025 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.964 15.017 -6.564 1.00 0.00 H new ATOM 225 N ASP A 17 -0.774 15.700 -2.403 1.00 0.00 N ATOM 226 CA ASP A 17 -1.198 15.128 -1.130 1.00 0.00 C ATOM 227 C ASP A 17 -1.034 13.612 -1.133 1.00 0.00 C ATOM 228 O ASP A 17 -1.761 12.900 -1.827 1.00 0.00 O ATOM 229 CB ASP A 17 -2.654 15.496 -0.840 1.00 0.00 C ATOM 230 CG ASP A 17 -3.025 15.288 0.615 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.646 16.135 1.450 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.695 14.279 0.918 1.00 0.00 O ATOM 0 H ASP A 17 -1.236 15.300 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.564 15.542 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.823 16.539 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.310 14.894 -1.469 1.00 0.00 H new ATOM 237 N LEU A 18 -0.074 13.124 -0.355 1.00 0.00 N ATOM 238 CA LEU A 18 0.186 11.691 -0.269 1.00 0.00 C ATOM 239 C LEU A 18 -1.119 10.903 -0.213 1.00 0.00 C ATOM 240 O LEU A 18 -1.316 9.954 -0.971 1.00 0.00 O ATOM 241 CB LEU A 18 1.036 11.380 0.964 1.00 0.00 C ATOM 242 CG LEU A 18 2.551 11.374 0.751 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.276 11.624 2.064 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.997 10.056 0.135 1.00 0.00 C ATOM 0 H LEU A 18 0.537 13.699 0.225 1.00 0.00 H new ATOM 0 HA LEU A 18 0.732 11.392 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.801 12.112 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.739 10.404 1.348 1.00 0.00 H new ATOM 0 HG LEU A 18 2.805 12.179 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.352 11.616 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.979 12.593 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.017 10.842 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.077 10.069 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.730 9.235 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.504 9.919 -0.827 1.00 0.00 H new ATOM 256 N GLY A 19 -2.008 11.304 0.690 1.00 0.00 N ATOM 257 CA GLY A 19 -3.284 10.626 0.827 1.00 0.00 C ATOM 258 C GLY A 19 -3.966 10.399 -0.507 1.00 0.00 C ATOM 259 O GLY A 19 -4.382 9.283 -0.817 1.00 0.00 O ATOM 0 H GLY A 19 -1.868 12.086 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.131 9.667 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.938 11.215 1.470 1.00 0.00 H new ATOM 263 N ALA A 20 -4.083 11.460 -1.298 1.00 0.00 N ATOM 264 CA ALA A 20 -4.719 11.371 -2.607 1.00 0.00 C ATOM 265 C ALA A 20 -3.936 10.451 -3.537 1.00 0.00 C ATOM 266 O ALA A 20 -4.518 9.722 -4.341 1.00 0.00 O ATOM 267 CB ALA A 20 -4.856 12.755 -3.222 1.00 0.00 C ATOM 0 H ALA A 20 -3.746 12.392 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.713 10.946 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.332 12.673 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.466 13.383 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.868 13.202 -3.336 1.00 0.00 H new ATOM 273 N LEU A 21 -2.613 10.490 -3.423 1.00 0.00 N ATOM 274 CA LEU A 21 -1.748 9.660 -4.255 1.00 0.00 C ATOM 275 C LEU A 21 -1.979 8.179 -3.972 1.00 0.00 C ATOM 276 O LEU A 21 -2.218 7.392 -4.887 1.00 0.00 O ATOM 277 CB LEU A 21 -0.280 10.014 -4.011 1.00 0.00 C ATOM 278 CG LEU A 21 0.729 9.391 -4.976 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.151 8.140 -5.619 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.142 10.397 -6.040 1.00 0.00 C ATOM 0 H LEU A 21 -2.116 11.087 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.994 9.855 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.176 11.098 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.018 9.712 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 21 1.616 9.107 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.883 7.711 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.093 7.413 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.752 8.399 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.860 9.936 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.263 10.713 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.598 11.264 -5.563 1.00 0.00 H new ATOM 292 N TYR A 22 -1.909 7.807 -2.698 1.00 0.00 N ATOM 293 CA TYR A 22 -2.110 6.421 -2.294 1.00 0.00 C ATOM 294 C TYR A 22 -3.409 5.868 -2.872 1.00 0.00 C ATOM 295 O TYR A 22 -3.499 4.688 -3.214 1.00 0.00 O ATOM 296 CB TYR A 22 -2.129 6.310 -0.769 1.00 0.00 C ATOM 297 CG TYR A 22 -2.788 5.047 -0.262 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.103 3.838 -0.251 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.097 5.063 0.205 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.702 2.682 0.211 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.703 3.912 0.670 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.002 2.724 0.670 1.00 0.00 C ATOM 303 OH TYR A 22 -4.603 1.575 1.131 1.00 0.00 O ATOM 0 H TYR A 22 -1.714 8.447 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.280 5.832 -2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.105 6.350 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.652 7.173 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.085 3.801 -0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.650 5.991 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.155 1.751 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.720 3.942 1.032 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.721 1.634 2.102 1.00 0.00 H new ATOM 313 N LEU A 23 -4.415 6.730 -2.978 1.00 0.00 N ATOM 314 CA LEU A 23 -5.712 6.330 -3.514 1.00 0.00 C ATOM 315 C LEU A 23 -5.592 5.921 -4.979 1.00 0.00 C ATOM 316 O LEU A 23 -6.215 4.955 -5.417 1.00 0.00 O ATOM 317 CB LEU A 23 -6.719 7.472 -3.372 1.00 0.00 C ATOM 318 CG LEU A 23 -7.184 7.784 -1.950 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.840 9.155 -1.891 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.143 6.710 -1.455 1.00 0.00 C ATOM 0 H LEU A 23 -4.358 7.710 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.065 5.471 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.277 8.374 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.595 7.234 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.311 7.793 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.165 9.359 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.124 9.915 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.703 9.175 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.464 6.948 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.013 6.669 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.640 5.743 -1.459 1.00 0.00 H new ATOM 332 N SER A 24 -4.785 6.663 -5.731 1.00 0.00 N ATOM 333 CA SER A 24 -4.584 6.379 -7.147 1.00 0.00 C ATOM 334 C SER A 24 -3.931 5.014 -7.340 1.00 0.00 C ATOM 335 O SER A 24 -4.163 4.340 -8.343 1.00 0.00 O ATOM 336 CB SER A 24 -3.720 7.466 -7.790 1.00 0.00 C ATOM 337 OG SER A 24 -4.457 8.664 -7.969 1.00 0.00 O ATOM 0 H SER A 24 -4.260 7.465 -5.383 1.00 0.00 H new ATOM 0 HA SER A 24 -5.560 6.367 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.850 7.661 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.348 7.117 -8.753 1.00 0.00 H new ATOM 0 HG SER A 24 -3.882 9.343 -8.380 1.00 0.00 H new ATOM 343 N MET A 25 -3.114 4.614 -6.372 1.00 0.00 N ATOM 344 CA MET A 25 -2.428 3.329 -6.434 1.00 0.00 C ATOM 345 C MET A 25 -3.379 2.187 -6.088 1.00 0.00 C ATOM 346 O MET A 25 -3.142 1.036 -6.454 1.00 0.00 O ATOM 347 CB MET A 25 -1.232 3.318 -5.480 1.00 0.00 C ATOM 348 CG MET A 25 -0.430 4.610 -5.496 1.00 0.00 C ATOM 349 SD MET A 25 1.027 4.536 -4.437 1.00 0.00 S ATOM 350 CE MET A 25 2.326 4.864 -5.627 1.00 0.00 C ATOM 0 H MET A 25 -2.911 5.161 -5.535 1.00 0.00 H new ATOM 0 HA MET A 25 -2.072 3.185 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.588 3.133 -4.466 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.575 2.489 -5.743 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.121 4.828 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.068 5.433 -5.173 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.175 4.210 -5.428 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.953 4.678 -6.634 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.642 5.904 -5.544 1.00 0.00 H new ATOM 360 N LYS A 26 -4.455 2.514 -5.381 1.00 0.00 N ATOM 361 CA LYS A 26 -5.443 1.516 -4.986 1.00 0.00 C ATOM 362 C LYS A 26 -6.277 1.073 -6.184 1.00 0.00 C ATOM 363 O LYS A 26 -6.878 -0.001 -6.170 1.00 0.00 O ATOM 364 CB LYS A 26 -6.357 2.078 -3.895 1.00 0.00 C ATOM 365 CG LYS A 26 -5.664 2.262 -2.556 1.00 0.00 C ATOM 366 CD LYS A 26 -6.641 2.124 -1.400 1.00 0.00 C ATOM 367 CE LYS A 26 -7.313 3.450 -1.077 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.007 3.414 0.240 1.00 0.00 N ATOM 0 H LYS A 26 -4.666 3.462 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.911 0.649 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.754 3.038 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.208 1.409 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.869 1.524 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.193 3.244 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.399 1.382 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.114 1.758 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.566 4.244 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.032 3.693 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.155 4.385 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.927 2.940 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.425 2.891 0.925 1.00 0.00 H new ATOM 382 N ASP A 27 -6.307 1.905 -7.219 1.00 0.00 N ATOM 383 CA ASP A 27 -7.065 1.597 -8.426 1.00 0.00 C ATOM 384 C ASP A 27 -6.531 0.334 -9.095 1.00 0.00 C ATOM 385 O ASP A 27 -5.345 0.019 -8.996 1.00 0.00 O ATOM 386 CB ASP A 27 -7.006 2.771 -9.404 1.00 0.00 C ATOM 387 CG ASP A 27 -8.206 2.814 -10.331 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.221 2.048 -11.317 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.130 3.612 -10.068 1.00 0.00 O ATOM 0 H ASP A 27 -5.815 2.798 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.103 1.424 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.950 3.704 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.094 2.700 -9.997 1.00 0.00 H new ATOM 394 N THR A 28 -7.415 -0.387 -9.778 1.00 0.00 N ATOM 395 CA THR A 28 -7.034 -1.616 -10.462 1.00 0.00 C ATOM 396 C THR A 28 -6.380 -1.317 -11.806 1.00 0.00 C ATOM 397 O THR A 28 -5.450 -2.008 -12.220 1.00 0.00 O ATOM 398 CB THR A 28 -8.251 -2.533 -10.688 1.00 0.00 C ATOM 399 OG1 THR A 28 -7.820 -3.890 -10.838 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.030 -2.104 -11.922 1.00 0.00 C ATOM 0 H THR A 28 -8.400 -0.140 -9.872 1.00 0.00 H new ATOM 0 HA THR A 28 -6.318 -2.127 -9.819 1.00 0.00 H new ATOM 0 HB THR A 28 -8.905 -2.453 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.599 -4.467 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.885 -2.766 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.381 -1.080 -11.793 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.383 -2.158 -12.798 1.00 0.00 H new ATOM 408 N GLU A 29 -6.873 -0.284 -12.482 1.00 0.00 N ATOM 409 CA GLU A 29 -6.335 0.105 -13.780 1.00 0.00 C ATOM 410 C GLU A 29 -5.547 1.407 -13.675 1.00 0.00 C ATOM 411 O GLU A 29 -4.679 1.690 -14.501 1.00 0.00 O ATOM 412 CB GLU A 29 -7.465 0.260 -14.800 1.00 0.00 C ATOM 413 CG GLU A 29 -8.736 0.852 -14.214 1.00 0.00 C ATOM 414 CD GLU A 29 -9.620 1.493 -15.266 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.775 0.897 -16.353 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.156 2.590 -15.004 1.00 0.00 O ATOM 0 H GLU A 29 -7.643 0.298 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.659 -0.682 -14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.121 0.895 -15.617 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.693 -0.716 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.295 0.068 -13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.473 1.597 -13.463 1.00 0.00 H new ATOM 423 N LYS A 30 -5.857 2.198 -12.653 1.00 0.00 N ATOM 424 CA LYS A 30 -5.180 3.471 -12.437 1.00 0.00 C ATOM 425 C LYS A 30 -4.248 3.393 -11.231 1.00 0.00 C ATOM 426 O LYS A 30 -3.748 4.411 -10.755 1.00 0.00 O ATOM 427 CB LYS A 30 -6.204 4.589 -12.231 1.00 0.00 C ATOM 428 CG LYS A 30 -7.342 4.563 -13.237 1.00 0.00 C ATOM 429 CD LYS A 30 -6.998 5.351 -14.489 1.00 0.00 C ATOM 430 CE LYS A 30 -8.218 5.551 -15.375 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.441 4.392 -16.283 1.00 0.00 N ATOM 0 H LYS A 30 -6.574 1.979 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.584 3.692 -13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.617 4.511 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.696 5.552 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.567 3.531 -13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.241 4.977 -12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.588 6.321 -14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.223 4.827 -15.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.100 5.698 -14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.092 6.457 -15.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.635 4.737 -17.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.592 3.792 -16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.252 3.837 -15.944 1.00 0.00 H new ATOM 445 N GLY A 31 -4.017 2.178 -10.744 1.00 0.00 N ATOM 446 CA GLY A 31 -3.145 1.990 -9.600 1.00 0.00 C ATOM 447 C GLY A 31 -1.986 1.060 -9.900 1.00 0.00 C ATOM 448 O GLY A 31 -1.717 0.748 -11.061 1.00 0.00 O ATOM 0 H GLY A 31 -4.419 1.320 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.757 2.957 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.724 1.588 -8.768 1.00 0.00 H new ATOM 452 N ILE A 32 -1.299 0.617 -8.853 1.00 0.00 N ATOM 453 CA ILE A 32 -0.163 -0.283 -9.011 1.00 0.00 C ATOM 454 C ILE A 32 -0.612 -1.740 -9.010 1.00 0.00 C ATOM 455 O ILE A 32 -1.383 -2.164 -8.149 1.00 0.00 O ATOM 456 CB ILE A 32 0.878 -0.077 -7.895 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.346 1.379 -7.866 1.00 0.00 C ATOM 458 CG2 ILE A 32 2.059 -1.015 -8.093 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.268 1.694 -6.709 1.00 0.00 C ATOM 0 H ILE A 32 -1.509 0.866 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 32 0.295 -0.047 -9.972 1.00 0.00 H new ATOM 0 HB ILE A 32 0.412 -0.308 -6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.859 1.606 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.474 2.031 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.786 -0.858 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.711 -2.048 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.527 -0.813 -9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.560 2.743 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.752 1.499 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.157 1.067 -6.771 1.00 0.00 H new ATOM 471 N LYS A 33 -0.122 -2.505 -9.980 1.00 0.00 N ATOM 472 CA LYS A 33 -0.470 -3.917 -10.091 1.00 0.00 C ATOM 473 C LYS A 33 0.219 -4.734 -9.003 1.00 0.00 C ATOM 474 O LYS A 33 1.371 -4.475 -8.656 1.00 0.00 O ATOM 475 CB LYS A 33 -0.078 -4.453 -11.470 1.00 0.00 C ATOM 476 CG LYS A 33 -1.131 -4.210 -12.538 1.00 0.00 C ATOM 477 CD LYS A 33 -2.355 -5.084 -12.323 1.00 0.00 C ATOM 478 CE LYS A 33 -2.118 -6.506 -12.806 1.00 0.00 C ATOM 479 NZ LYS A 33 -3.395 -7.209 -13.110 1.00 0.00 N ATOM 0 H LYS A 33 0.518 -2.171 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.549 -4.011 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.857 -3.986 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.111 -5.524 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.426 -3.161 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.707 -4.412 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.612 -5.097 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.206 -4.656 -12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.493 -6.487 -13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.570 -7.061 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.190 -8.175 -13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.981 -7.250 -12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.906 -6.693 -13.854 1.00 0.00 H new ATOM 493 N GLU A 34 -0.494 -5.721 -8.469 1.00 0.00 N ATOM 494 CA GLU A 34 0.051 -6.575 -7.420 1.00 0.00 C ATOM 495 C GLU A 34 0.377 -7.963 -7.964 1.00 0.00 C ATOM 496 O GLU A 34 -0.367 -8.515 -8.777 1.00 0.00 O ATOM 497 CB GLU A 34 -0.940 -6.690 -6.260 1.00 0.00 C ATOM 498 CG GLU A 34 -1.567 -5.364 -5.862 1.00 0.00 C ATOM 499 CD GLU A 34 -2.788 -5.538 -4.980 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.856 -5.907 -5.512 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.677 -5.305 -3.758 1.00 0.00 O ATOM 0 H GLU A 34 -1.449 -5.949 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 34 0.973 -6.120 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.730 -7.388 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.428 -7.114 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.827 -4.760 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.848 -4.815 -6.761 1.00 0.00 H new ATOM 508 N LEU A 35 1.493 -8.522 -7.511 1.00 0.00 N ATOM 509 CA LEU A 35 1.920 -9.846 -7.951 1.00 0.00 C ATOM 510 C LEU A 35 2.392 -10.687 -6.770 1.00 0.00 C ATOM 511 O LEU A 35 2.617 -10.169 -5.677 1.00 0.00 O ATOM 512 CB LEU A 35 3.040 -9.725 -8.986 1.00 0.00 C ATOM 513 CG LEU A 35 2.850 -8.653 -10.059 1.00 0.00 C ATOM 514 CD1 LEU A 35 1.524 -8.847 -10.778 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.926 -7.263 -9.445 1.00 0.00 C ATOM 0 H LEU A 35 2.119 -8.079 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 35 1.064 -10.343 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.973 -9.523 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.156 -10.689 -9.481 1.00 0.00 H new ATOM 0 HG LEU A 35 3.654 -8.751 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.406 -8.075 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.507 -9.828 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.707 -8.777 -10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.789 -6.513 -10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.144 -7.154 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.900 -7.125 -8.976 1.00 0.00 H new ATOM 527 N ASN A 36 2.541 -11.988 -6.998 1.00 0.00 N ATOM 528 CA ASN A 36 2.988 -12.901 -5.953 1.00 0.00 C ATOM 529 C ASN A 36 4.365 -13.470 -6.280 1.00 0.00 C ATOM 530 O ASN A 36 4.623 -13.892 -7.408 1.00 0.00 O ATOM 531 CB ASN A 36 1.982 -14.040 -5.777 1.00 0.00 C ATOM 532 CG ASN A 36 2.011 -15.021 -6.934 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.562 -16.116 -6.820 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.415 -14.631 -8.055 1.00 0.00 N ATOM 0 H ASN A 36 2.359 -12.433 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 36 3.058 -12.340 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.196 -14.570 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.979 -13.624 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.401 -15.248 -8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.971 -13.714 -8.104 1.00 0.00 H new ATOM 541 N LEU A 37 5.246 -13.480 -5.286 1.00 0.00 N ATOM 542 CA LEU A 37 6.598 -13.998 -5.467 1.00 0.00 C ATOM 543 C LEU A 37 7.030 -14.826 -4.261 1.00 0.00 C ATOM 544 O LEU A 37 6.510 -14.653 -3.159 1.00 0.00 O ATOM 545 CB LEU A 37 7.581 -12.847 -5.688 1.00 0.00 C ATOM 546 CG LEU A 37 7.178 -11.813 -6.740 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.826 -10.470 -6.444 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.557 -12.294 -8.133 1.00 0.00 C ATOM 0 H LEU A 37 5.049 -13.135 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 37 6.599 -14.642 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.726 -12.332 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.545 -13.269 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 37 6.096 -11.687 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.528 -9.747 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.505 -10.120 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.910 -10.579 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.263 -11.546 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.635 -12.449 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.045 -13.233 -8.346 1.00 0.00 H new ATOM 560 N GLU A 38 7.986 -15.724 -4.477 1.00 0.00 N ATOM 561 CA GLU A 38 8.488 -16.577 -3.407 1.00 0.00 C ATOM 562 C GLU A 38 9.967 -16.307 -3.144 1.00 0.00 C ATOM 563 O GLU A 38 10.835 -16.763 -3.889 1.00 0.00 O ATOM 564 CB GLU A 38 8.283 -18.052 -3.761 1.00 0.00 C ATOM 565 CG GLU A 38 8.688 -19.006 -2.651 1.00 0.00 C ATOM 566 CD GLU A 38 8.745 -20.449 -3.114 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.407 -20.719 -4.137 1.00 0.00 O ATOM 568 OE2 GLU A 38 8.127 -21.309 -2.451 1.00 0.00 O ATOM 0 H GLU A 38 8.428 -15.879 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 38 7.927 -16.347 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.233 -18.216 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.858 -18.285 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.664 -18.714 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.980 -18.920 -1.827 1.00 0.00 H new ATOM 575 N LYS A 39 10.246 -15.562 -2.080 1.00 0.00 N ATOM 576 CA LYS A 39 11.619 -15.230 -1.717 1.00 0.00 C ATOM 577 C LYS A 39 12.264 -16.368 -0.933 1.00 0.00 C ATOM 578 O LYS A 39 13.092 -17.109 -1.463 1.00 0.00 O ATOM 579 CB LYS A 39 11.652 -13.943 -0.890 1.00 0.00 C ATOM 580 CG LYS A 39 13.057 -13.473 -0.552 1.00 0.00 C ATOM 581 CD LYS A 39 13.750 -12.872 -1.763 1.00 0.00 C ATOM 582 CE LYS A 39 15.011 -12.120 -1.366 1.00 0.00 C ATOM 583 NZ LYS A 39 15.770 -11.644 -2.556 1.00 0.00 N ATOM 0 H LYS A 39 9.539 -15.176 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 39 12.186 -15.079 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.136 -13.155 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.098 -14.101 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.012 -12.733 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.642 -14.312 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.004 -13.663 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.067 -12.195 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.744 -11.268 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.647 -12.770 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.722 -12.062 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.271 -11.930 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.847 -10.607 -2.527 1.00 0.00 H new ATOM 597 N ASP A 40 11.879 -16.502 0.332 1.00 0.00 N ATOM 598 CA ASP A 40 12.419 -17.551 1.188 1.00 0.00 C ATOM 599 C ASP A 40 11.297 -18.393 1.788 1.00 0.00 C ATOM 600 O ASP A 40 10.689 -18.015 2.789 1.00 0.00 O ATOM 601 CB ASP A 40 13.268 -16.942 2.305 1.00 0.00 C ATOM 602 CG ASP A 40 14.722 -16.782 1.905 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.984 -16.529 0.711 1.00 0.00 O ATOM 604 OD2 ASP A 40 15.598 -16.912 2.786 1.00 0.00 O ATOM 0 H ASP A 40 11.195 -15.897 0.787 1.00 0.00 H new ATOM 0 HA ASP A 40 13.048 -18.197 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.860 -15.969 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.205 -17.574 3.191 1.00 0.00 H new ATOM 609 N LYS A 41 11.028 -19.538 1.168 1.00 0.00 N ATOM 610 CA LYS A 41 9.979 -20.435 1.640 1.00 0.00 C ATOM 611 C LYS A 41 8.757 -19.648 2.103 1.00 0.00 C ATOM 612 O LYS A 41 7.993 -20.110 2.950 1.00 0.00 O ATOM 613 CB LYS A 41 10.502 -21.306 2.784 1.00 0.00 C ATOM 614 CG LYS A 41 11.765 -22.074 2.436 1.00 0.00 C ATOM 615 CD LYS A 41 11.456 -23.315 1.616 1.00 0.00 C ATOM 616 CE LYS A 41 12.596 -24.320 1.673 1.00 0.00 C ATOM 617 NZ LYS A 41 12.532 -25.163 2.899 1.00 0.00 N ATOM 0 H LYS A 41 11.522 -19.866 0.338 1.00 0.00 H new ATOM 0 HA LYS A 41 9.682 -21.076 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.698 -20.674 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.725 -22.013 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.443 -21.428 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.281 -22.362 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.542 -23.779 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.272 -23.031 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.561 -24.959 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.548 -23.791 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.326 -25.835 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.591 -24.556 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.634 -25.688 2.913 1.00 0.00 H new ATOM 631 N LYS A 42 8.578 -18.457 1.541 1.00 0.00 N ATOM 632 CA LYS A 42 7.448 -17.607 1.894 1.00 0.00 C ATOM 633 C LYS A 42 6.976 -16.800 0.688 1.00 0.00 C ATOM 634 O LYS A 42 7.749 -16.049 0.092 1.00 0.00 O ATOM 635 CB LYS A 42 7.831 -16.661 3.035 1.00 0.00 C ATOM 636 CG LYS A 42 7.975 -17.356 4.378 1.00 0.00 C ATOM 637 CD LYS A 42 8.050 -16.354 5.518 1.00 0.00 C ATOM 638 CE LYS A 42 6.663 -15.928 5.977 1.00 0.00 C ATOM 639 NZ LYS A 42 6.175 -14.734 5.233 1.00 0.00 N ATOM 0 H LYS A 42 9.202 -18.059 0.839 1.00 0.00 H new ATOM 0 HA LYS A 42 6.631 -18.250 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.771 -16.168 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.075 -15.881 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.129 -18.025 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.873 -17.973 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.593 -16.793 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.614 -15.478 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.965 -16.753 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.686 -15.707 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.772 -14.048 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.968 -14.295 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.444 -15.024 4.553 1.00 0.00 H new ATOM 653 N ILE A 43 5.705 -16.960 0.336 1.00 0.00 N ATOM 654 CA ILE A 43 5.132 -16.245 -0.797 1.00 0.00 C ATOM 655 C ILE A 43 4.272 -15.075 -0.331 1.00 0.00 C ATOM 656 O ILE A 43 3.395 -15.234 0.518 1.00 0.00 O ATOM 657 CB ILE A 43 4.277 -17.176 -1.677 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.175 -18.094 -2.509 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.362 -16.361 -2.579 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.551 -19.438 -2.811 1.00 0.00 C ATOM 0 H ILE A 43 5.053 -17.578 0.819 1.00 0.00 H new ATOM 0 HA ILE A 43 5.968 -15.867 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 43 3.657 -17.795 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.419 -17.597 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.114 -18.250 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.765 -17.034 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.702 -15.746 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.963 -15.719 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.243 -20.036 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.332 -19.956 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.627 -19.293 -3.370 1.00 0.00 H new ATOM 672 N PHE A 44 4.529 -13.898 -0.892 1.00 0.00 N ATOM 673 CA PHE A 44 3.779 -12.700 -0.535 1.00 0.00 C ATOM 674 C PHE A 44 2.776 -12.340 -1.627 1.00 0.00 C ATOM 675 O PHE A 44 3.157 -11.998 -2.746 1.00 0.00 O ATOM 676 CB PHE A 44 4.732 -11.528 -0.296 1.00 0.00 C ATOM 677 CG PHE A 44 5.788 -11.814 0.733 1.00 0.00 C ATOM 678 CD1 PHE A 44 5.439 -12.235 2.006 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.131 -11.662 0.427 1.00 0.00 C ATOM 680 CE1 PHE A 44 6.408 -12.500 2.955 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.105 -11.925 1.372 1.00 0.00 C ATOM 682 CZ PHE A 44 7.743 -12.344 2.638 1.00 0.00 C ATOM 0 H PHE A 44 5.252 -13.748 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 44 3.230 -12.906 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.215 -11.265 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.154 -10.659 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.396 -12.358 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.420 -11.334 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.122 -12.829 3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.148 -11.803 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.502 -12.549 3.378 1.00 0.00 H new ATOM 692 N ASN A 45 1.492 -12.420 -1.293 1.00 0.00 N ATOM 693 CA ASN A 45 0.433 -12.104 -2.245 1.00 0.00 C ATOM 694 C ASN A 45 0.093 -10.618 -2.207 1.00 0.00 C ATOM 695 O ASN A 45 0.443 -9.914 -1.259 1.00 0.00 O ATOM 696 CB ASN A 45 -0.817 -12.933 -1.943 1.00 0.00 C ATOM 697 CG ASN A 45 -0.800 -14.280 -2.639 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.742 -14.639 -3.345 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.276 -15.034 -2.442 1.00 0.00 N ATOM 0 H ASN A 45 1.160 -12.701 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 45 0.792 -12.351 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.898 -13.084 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.702 -12.378 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.344 -15.951 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.034 -14.696 -1.849 1.00 0.00 H new ATOM 706 N HIS A 46 -0.593 -10.146 -3.243 1.00 0.00 N ATOM 707 CA HIS A 46 -0.982 -8.743 -3.328 1.00 0.00 C ATOM 708 C HIS A 46 0.211 -7.831 -3.058 1.00 0.00 C ATOM 709 O HIS A 46 0.048 -6.695 -2.612 1.00 0.00 O ATOM 710 CB HIS A 46 -2.103 -8.442 -2.333 1.00 0.00 C ATOM 711 CG HIS A 46 -3.344 -9.247 -2.568 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.116 -9.126 -3.704 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.945 -10.191 -1.806 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.139 -9.959 -3.629 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.058 -10.617 -2.487 1.00 0.00 N ATOM 0 H HIS A 46 -0.891 -10.715 -4.036 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.342 -8.552 -4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.742 -8.633 -1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.351 -7.382 -2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.611 -10.543 -0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.910 -10.081 -4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.716 -11.326 -2.164 1.00 0.00 H new ATOM 724 N CYS A 47 1.409 -8.336 -3.331 1.00 0.00 N ATOM 725 CA CYS A 47 2.630 -7.567 -3.117 1.00 0.00 C ATOM 726 C CYS A 47 3.229 -7.116 -4.445 1.00 0.00 C ATOM 727 O CYS A 47 3.262 -7.876 -5.413 1.00 0.00 O ATOM 728 CB CYS A 47 3.651 -8.399 -2.339 1.00 0.00 C ATOM 729 SG CYS A 47 4.519 -9.629 -3.341 1.00 0.00 S ATOM 0 H CYS A 47 1.561 -9.274 -3.701 1.00 0.00 H new ATOM 0 HA CYS A 47 2.375 -6.681 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.384 -7.728 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.141 -8.907 -1.520 1.00 0.00 H new ATOM 0 HG CYS A 47 4.065 -10.815 -3.062 1.00 0.00 H new ATOM 735 N PHE A 48 3.701 -5.875 -4.484 1.00 0.00 N ATOM 736 CA PHE A 48 4.297 -5.321 -5.694 1.00 0.00 C ATOM 737 C PHE A 48 5.742 -4.900 -5.446 1.00 0.00 C ATOM 738 O PHE A 48 6.036 -4.176 -4.494 1.00 0.00 O ATOM 739 CB PHE A 48 3.482 -4.123 -6.187 1.00 0.00 C ATOM 740 CG PHE A 48 2.932 -3.275 -5.076 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.676 -2.232 -4.549 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.670 -3.521 -4.559 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.171 -1.451 -3.526 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.160 -2.743 -3.537 1.00 0.00 C ATOM 745 CZ PHE A 48 1.912 -1.706 -3.021 1.00 0.00 C ATOM 0 H PHE A 48 3.682 -5.233 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 48 4.290 -6.097 -6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.111 -3.505 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.657 -4.483 -6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.661 -2.027 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.078 -4.331 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.761 -0.642 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.175 -2.946 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.515 -1.095 -2.223 1.00 0.00 H new ATOM 755 N THR A 49 6.643 -5.360 -6.308 1.00 0.00 N ATOM 756 CA THR A 49 8.058 -5.034 -6.183 1.00 0.00 C ATOM 757 C THR A 49 8.260 -3.540 -5.963 1.00 0.00 C ATOM 758 O THR A 49 7.333 -2.748 -6.123 1.00 0.00 O ATOM 759 CB THR A 49 8.848 -5.470 -7.431 1.00 0.00 C ATOM 760 OG1 THR A 49 8.276 -4.878 -8.603 1.00 0.00 O ATOM 761 CG2 THR A 49 8.848 -6.985 -7.570 1.00 0.00 C ATOM 0 H THR A 49 6.417 -5.960 -7.101 1.00 0.00 H new ATOM 0 HA THR A 49 8.433 -5.580 -5.317 1.00 0.00 H new ATOM 0 HB THR A 49 9.878 -5.132 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.784 -5.158 -9.392 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.412 -7.269 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.310 -7.431 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.822 -7.342 -7.662 1.00 0.00 H new ATOM 769 N GLY A 50 9.480 -3.160 -5.595 1.00 0.00 N ATOM 770 CA GLY A 50 9.782 -1.760 -5.360 1.00 0.00 C ATOM 771 C GLY A 50 10.301 -1.062 -6.601 1.00 0.00 C ATOM 772 O GLY A 50 11.065 -0.102 -6.508 1.00 0.00 O ATOM 0 H GLY A 50 10.264 -3.797 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.884 -1.252 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.524 -1.680 -4.565 1.00 0.00 H new ATOM 776 N ASN A 51 9.887 -1.547 -7.768 1.00 0.00 N ATOM 777 CA ASN A 51 10.317 -0.964 -9.033 1.00 0.00 C ATOM 778 C ASN A 51 9.146 -0.303 -9.754 1.00 0.00 C ATOM 779 O ASN A 51 9.318 0.699 -10.449 1.00 0.00 O ATOM 780 CB ASN A 51 10.940 -2.039 -9.928 1.00 0.00 C ATOM 781 CG ASN A 51 11.374 -1.491 -11.273 1.00 0.00 C ATOM 782 OD1 ASN A 51 10.920 -1.953 -12.320 1.00 0.00 O ATOM 783 ND2 ASN A 51 12.257 -0.499 -11.251 1.00 0.00 N ATOM 0 H ASN A 51 9.255 -2.342 -7.863 1.00 0.00 H new ATOM 0 HA ASN A 51 11.065 -0.201 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.801 -2.475 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.220 -2.842 -10.081 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.585 -0.089 -12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.607 -0.147 -10.360 1.00 0.00 H new ATOM 790 N CYS A 52 7.957 -0.869 -9.582 1.00 0.00 N ATOM 791 CA CYS A 52 6.757 -0.335 -10.216 1.00 0.00 C ATOM 792 C CYS A 52 6.283 0.928 -9.505 1.00 0.00 C ATOM 793 O CYS A 52 5.628 1.781 -10.103 1.00 0.00 O ATOM 794 CB CYS A 52 5.644 -1.384 -10.214 1.00 0.00 C ATOM 795 SG CYS A 52 5.081 -1.860 -8.563 1.00 0.00 S ATOM 0 H CYS A 52 7.798 -1.698 -9.009 1.00 0.00 H new ATOM 0 HA CYS A 52 7.003 -0.079 -11.247 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.795 -0.998 -10.779 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.997 -2.273 -10.736 1.00 0.00 H new ATOM 0 HG CYS A 52 6.110 -2.112 -7.809 1.00 0.00 H new ATOM 801 N VAL A 53 6.618 1.041 -8.223 1.00 0.00 N ATOM 802 CA VAL A 53 6.226 2.199 -7.429 1.00 0.00 C ATOM 803 C VAL A 53 6.771 3.489 -8.034 1.00 0.00 C ATOM 804 O VAL A 53 6.009 4.379 -8.412 1.00 0.00 O ATOM 805 CB VAL A 53 6.721 2.077 -5.976 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.212 3.241 -5.139 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.288 0.748 -5.376 1.00 0.00 C ATOM 0 H VAL A 53 7.160 0.344 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 53 5.136 2.231 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 53 7.810 2.111 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.572 3.138 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.577 4.178 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.122 3.242 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.646 0.679 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.200 0.681 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.707 -0.070 -5.962 1.00 0.00 H new ATOM 817 N ILE A 54 8.093 3.582 -8.122 1.00 0.00 N ATOM 818 CA ILE A 54 8.740 4.762 -8.682 1.00 0.00 C ATOM 819 C ILE A 54 8.210 5.068 -10.079 1.00 0.00 C ATOM 820 O ILE A 54 7.706 6.161 -10.337 1.00 0.00 O ATOM 821 CB ILE A 54 10.268 4.587 -8.751 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.808 4.087 -7.410 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.934 5.899 -9.140 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.361 4.921 -6.229 1.00 0.00 C ATOM 0 H ILE A 54 8.737 2.854 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 54 8.508 5.595 -8.018 1.00 0.00 H new ATOM 0 HB ILE A 54 10.499 3.844 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.486 3.057 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.897 4.078 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.014 5.760 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.568 6.217 -10.116 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.697 6.661 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.782 4.508 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.706 5.947 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.273 4.909 -6.166 1.00 0.00 H new ATOM 836 N ASP A 55 8.327 4.095 -10.975 1.00 0.00 N ATOM 837 CA ASP A 55 7.857 4.259 -12.346 1.00 0.00 C ATOM 838 C ASP A 55 6.392 4.681 -12.372 1.00 0.00 C ATOM 839 O ASP A 55 6.047 5.727 -12.922 1.00 0.00 O ATOM 840 CB ASP A 55 8.039 2.957 -13.129 1.00 0.00 C ATOM 841 CG ASP A 55 9.465 2.764 -13.608 1.00 0.00 C ATOM 842 OD1 ASP A 55 10.391 2.892 -12.780 1.00 0.00 O ATOM 843 OD2 ASP A 55 9.654 2.485 -14.810 1.00 0.00 O ATOM 0 H ASP A 55 8.743 3.185 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 55 8.451 5.043 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.753 2.115 -12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.367 2.956 -13.987 1.00 0.00 H new ATOM 848 N TRP A 56 5.534 3.861 -11.775 1.00 0.00 N ATOM 849 CA TRP A 56 4.105 4.150 -11.731 1.00 0.00 C ATOM 850 C TRP A 56 3.857 5.644 -11.555 1.00 0.00 C ATOM 851 O TRP A 56 3.010 6.227 -12.233 1.00 0.00 O ATOM 852 CB TRP A 56 3.442 3.373 -10.592 1.00 0.00 C ATOM 853 CG TRP A 56 1.966 3.612 -10.491 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.971 2.799 -10.954 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.320 4.739 -9.890 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.256 3.354 -10.678 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.069 4.544 -10.025 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.778 5.894 -9.251 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.999 5.461 -9.544 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.853 6.803 -8.774 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.522 6.582 -8.922 1.00 0.00 C ATOM 0 H TRP A 56 5.803 2.991 -11.315 1.00 0.00 H new ATOM 0 HA TRP A 56 3.667 3.837 -12.679 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.621 2.308 -10.736 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.913 3.651 -9.649 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.125 1.859 -11.462 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.159 2.946 -10.920 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.836 6.073 -9.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.060 5.293 -9.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.196 7.699 -8.279 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.220 7.311 -8.537 1.00 0.00 H new ATOM 872 N LEU A 57 4.600 6.259 -10.641 1.00 0.00 N ATOM 873 CA LEU A 57 4.460 7.687 -10.377 1.00 0.00 C ATOM 874 C LEU A 57 4.813 8.507 -11.614 1.00 0.00 C ATOM 875 O LEU A 57 4.075 9.414 -12.001 1.00 0.00 O ATOM 876 CB LEU A 57 5.355 8.099 -9.206 1.00 0.00 C ATOM 877 CG LEU A 57 5.052 7.433 -7.864 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.297 7.398 -6.992 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.920 8.160 -7.151 1.00 0.00 C ATOM 0 H LEU A 57 5.305 5.792 -10.071 1.00 0.00 H new ATOM 0 HA LEU A 57 3.419 7.883 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.390 7.882 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.279 9.179 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 57 4.737 6.407 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.062 6.920 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.080 6.833 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.643 8.416 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.718 7.672 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.207 9.197 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.023 8.133 -7.770 1.00 0.00 H new ATOM 891 N VAL A 58 5.944 8.181 -12.231 1.00 0.00 N ATOM 892 CA VAL A 58 6.393 8.885 -13.427 1.00 0.00 C ATOM 893 C VAL A 58 5.361 8.782 -14.545 1.00 0.00 C ATOM 894 O VAL A 58 5.018 9.779 -15.180 1.00 0.00 O ATOM 895 CB VAL A 58 7.738 8.332 -13.932 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.208 9.104 -15.155 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.783 8.381 -12.827 1.00 0.00 C ATOM 0 H VAL A 58 6.566 7.434 -11.923 1.00 0.00 H new ATOM 0 HA VAL A 58 6.521 9.931 -13.149 1.00 0.00 H new ATOM 0 HB VAL A 58 7.597 7.291 -14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.160 8.699 -15.497 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.468 9.012 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.333 10.155 -14.896 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.727 7.986 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.923 9.413 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.448 7.779 -11.982 1.00 0.00 H new ATOM 907 N SER A 59 4.870 7.570 -14.779 1.00 0.00 N ATOM 908 CA SER A 59 3.879 7.336 -15.823 1.00 0.00 C ATOM 909 C SER A 59 2.621 8.161 -15.573 1.00 0.00 C ATOM 910 O SER A 59 1.988 8.647 -16.509 1.00 0.00 O ATOM 911 CB SER A 59 3.523 5.849 -15.893 1.00 0.00 C ATOM 912 OG SER A 59 2.973 5.515 -17.156 1.00 0.00 O ATOM 0 H SER A 59 5.142 6.735 -14.260 1.00 0.00 H new ATOM 0 HA SER A 59 4.311 7.644 -16.775 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.415 5.249 -15.711 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.809 5.605 -15.106 1.00 0.00 H new ATOM 0 HG SER A 59 2.755 4.560 -17.176 1.00 0.00 H new ATOM 918 N ASN A 60 2.264 8.314 -14.302 1.00 0.00 N ATOM 919 CA ASN A 60 1.081 9.080 -13.927 1.00 0.00 C ATOM 920 C ASN A 60 1.354 10.578 -14.008 1.00 0.00 C ATOM 921 O ASN A 60 0.511 11.394 -13.637 1.00 0.00 O ATOM 922 CB ASN A 60 0.634 8.707 -12.512 1.00 0.00 C ATOM 923 CG ASN A 60 -0.251 7.476 -12.490 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.412 7.539 -12.084 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.295 6.347 -12.928 1.00 0.00 N ATOM 0 H ASN A 60 2.777 7.918 -13.514 1.00 0.00 H new ATOM 0 HA ASN A 60 0.284 8.836 -14.629 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.512 8.530 -11.891 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.096 9.546 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.252 5.486 -12.937 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.261 6.341 -13.255 1.00 0.00 H new ATOM 932 N GLN A 61 2.539 10.933 -14.497 1.00 0.00 N ATOM 933 CA GLN A 61 2.923 12.333 -14.626 1.00 0.00 C ATOM 934 C GLN A 61 2.994 13.007 -13.260 1.00 0.00 C ATOM 935 O GLN A 61 2.653 14.181 -13.117 1.00 0.00 O ATOM 936 CB GLN A 61 1.931 13.075 -15.523 1.00 0.00 C ATOM 937 CG GLN A 61 1.681 12.386 -16.855 1.00 0.00 C ATOM 938 CD GLN A 61 0.392 12.837 -17.512 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.401 13.377 -18.619 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.728 12.617 -16.833 1.00 0.00 N ATOM 0 H GLN A 61 3.248 10.270 -14.810 1.00 0.00 H new ATOM 0 HA GLN A 61 3.913 12.371 -15.081 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.984 13.179 -14.994 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.305 14.082 -15.709 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.516 12.587 -17.526 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.648 11.307 -16.701 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.690 12.166 -15.919 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.626 12.899 -17.226 1.00 0.00 H new ATOM 949 N SER A 62 3.439 12.256 -12.258 1.00 0.00 N ATOM 950 CA SER A 62 3.551 12.779 -10.901 1.00 0.00 C ATOM 951 C SER A 62 4.965 13.281 -10.627 1.00 0.00 C ATOM 952 O SER A 62 5.167 14.204 -9.839 1.00 0.00 O ATOM 953 CB SER A 62 3.174 11.701 -9.883 1.00 0.00 C ATOM 954 OG SER A 62 1.881 11.183 -10.145 1.00 0.00 O ATOM 0 H SER A 62 3.728 11.283 -12.360 1.00 0.00 H new ATOM 0 HA SER A 62 2.861 13.617 -10.804 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.906 10.894 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.205 12.119 -8.877 1.00 0.00 H new ATOM 0 HG SER A 62 1.664 10.495 -9.482 1.00 0.00 H new ATOM 960 N VAL A 63 5.943 12.664 -11.285 1.00 0.00 N ATOM 961 CA VAL A 63 7.339 13.048 -11.114 1.00 0.00 C ATOM 962 C VAL A 63 8.019 13.261 -12.462 1.00 0.00 C ATOM 963 O VAL A 63 7.502 12.851 -13.501 1.00 0.00 O ATOM 964 CB VAL A 63 8.120 11.984 -10.320 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.701 11.995 -8.858 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.915 10.606 -10.931 1.00 0.00 C ATOM 0 H VAL A 63 5.794 11.897 -11.941 1.00 0.00 H new ATOM 0 HA VAL A 63 7.344 13.984 -10.556 1.00 0.00 H new ATOM 0 HB VAL A 63 9.182 12.225 -10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.263 11.237 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.904 12.976 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.635 11.780 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.474 9.867 -10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.855 10.354 -10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.269 10.609 -11.962 1.00 0.00 H new ATOM 976 N ARG A 64 9.182 13.903 -12.437 1.00 0.00 N ATOM 977 CA ARG A 64 9.933 14.172 -13.657 1.00 0.00 C ATOM 978 C ARG A 64 10.803 12.976 -14.034 1.00 0.00 C ATOM 979 O ARG A 64 11.067 12.734 -15.211 1.00 0.00 O ATOM 980 CB ARG A 64 10.806 15.415 -13.481 1.00 0.00 C ATOM 981 CG ARG A 64 10.034 16.642 -13.025 1.00 0.00 C ATOM 982 CD ARG A 64 10.705 17.927 -13.486 1.00 0.00 C ATOM 983 NE ARG A 64 10.019 19.114 -12.985 1.00 0.00 N ATOM 984 CZ ARG A 64 10.506 20.345 -13.092 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.677 20.549 -13.680 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.822 21.375 -12.610 1.00 0.00 N ATOM 0 H ARG A 64 9.625 14.247 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 64 9.219 14.349 -14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.589 15.198 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.301 15.638 -14.426 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.018 16.600 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.956 16.641 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.741 17.937 -13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.726 17.954 -14.575 1.00 0.00 H new ATOM 0 HE ARG A 64 9.116 18.991 -12.527 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.206 19.760 -14.051 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.049 21.495 -13.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.921 21.222 -12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.197 22.320 -12.693 1.00 0.00 H new ATOM 1000 N ASN A 65 11.246 12.231 -13.026 1.00 0.00 N ATOM 1001 CA ASN A 65 12.087 11.061 -13.251 1.00 0.00 C ATOM 1002 C ASN A 65 11.993 10.090 -12.079 1.00 0.00 C ATOM 1003 O ASN A 65 11.287 10.345 -11.103 1.00 0.00 O ATOM 1004 CB ASN A 65 13.541 11.486 -13.461 1.00 0.00 C ATOM 1005 CG ASN A 65 13.881 12.769 -12.728 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.584 13.866 -13.202 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.506 12.637 -11.564 1.00 0.00 N ATOM 0 H ASN A 65 11.036 12.417 -12.045 1.00 0.00 H new ATOM 0 HA ASN A 65 11.730 10.555 -14.148 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.202 10.690 -13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.727 11.620 -14.527 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.759 13.465 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.733 11.708 -11.209 1.00 0.00 H new ATOM 1014 N ARG A 66 12.710 8.976 -12.182 1.00 0.00 N ATOM 1015 CA ARG A 66 12.707 7.966 -11.131 1.00 0.00 C ATOM 1016 C ARG A 66 13.077 8.581 -9.784 1.00 0.00 C ATOM 1017 O ARG A 66 12.273 8.585 -8.852 1.00 0.00 O ATOM 1018 CB ARG A 66 13.684 6.839 -11.474 1.00 0.00 C ATOM 1019 CG ARG A 66 13.080 5.755 -12.350 1.00 0.00 C ATOM 1020 CD ARG A 66 13.073 6.162 -13.815 1.00 0.00 C ATOM 1021 NE ARG A 66 12.323 5.221 -14.642 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.290 5.272 -15.969 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.964 6.213 -16.616 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.584 4.379 -16.651 1.00 0.00 N ATOM 0 H ARG A 66 13.300 8.750 -12.983 1.00 0.00 H new ATOM 0 HA ARG A 66 11.700 7.556 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.551 7.263 -11.981 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.044 6.388 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.647 4.832 -12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.061 5.548 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.638 7.157 -13.913 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.099 6.226 -14.178 1.00 0.00 H new ATOM 0 HE ARG A 66 11.795 4.484 -14.175 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.509 6.900 -16.095 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.937 6.250 -17.635 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.066 3.653 -16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.559 4.419 -17.670 1.00 0.00 H new ATOM 1038 N GLN A 67 14.297 9.099 -9.691 1.00 0.00 N ATOM 1039 CA GLN A 67 14.773 9.716 -8.458 1.00 0.00 C ATOM 1040 C GLN A 67 13.691 10.592 -7.835 1.00 0.00 C ATOM 1041 O GLN A 67 13.430 10.513 -6.636 1.00 0.00 O ATOM 1042 CB GLN A 67 16.026 10.549 -8.730 1.00 0.00 C ATOM 1043 CG GLN A 67 17.320 9.763 -8.594 1.00 0.00 C ATOM 1044 CD GLN A 67 17.860 9.769 -7.177 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.470 10.599 -6.356 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.762 8.840 -6.883 1.00 0.00 N ATOM 0 H GLN A 67 14.974 9.104 -10.454 1.00 0.00 H new ATOM 0 HA GLN A 67 15.020 8.920 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.966 10.963 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.049 11.392 -8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.150 8.734 -8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 67 18.068 10.183 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 67 19.056 8.172 -7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.160 8.795 -5.945 1.00 0.00 H new ATOM 1055 N GLU A 68 13.066 11.428 -8.659 1.00 0.00 N ATOM 1056 CA GLU A 68 12.013 12.319 -8.188 1.00 0.00 C ATOM 1057 C GLU A 68 10.933 11.540 -7.442 1.00 0.00 C ATOM 1058 O GLU A 68 10.412 11.998 -6.426 1.00 0.00 O ATOM 1059 CB GLU A 68 11.391 13.076 -9.363 1.00 0.00 C ATOM 1060 CG GLU A 68 12.151 14.334 -9.748 1.00 0.00 C ATOM 1061 CD GLU A 68 12.369 15.267 -8.572 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.431 16.016 -8.227 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.477 15.248 -7.997 1.00 0.00 O ATOM 0 H GLU A 68 13.271 11.506 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 68 12.461 13.036 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.342 12.413 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.366 13.345 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.117 14.056 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.602 14.861 -10.528 1.00 0.00 H new ATOM 1070 N GLY A 69 10.602 10.359 -7.955 1.00 0.00 N ATOM 1071 CA GLY A 69 9.587 9.535 -7.326 1.00 0.00 C ATOM 1072 C GLY A 69 10.078 8.883 -6.049 1.00 0.00 C ATOM 1073 O GLY A 69 9.280 8.454 -5.215 1.00 0.00 O ATOM 0 H GLY A 69 11.019 9.958 -8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.713 10.147 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.267 8.762 -8.025 1.00 0.00 H new ATOM 1077 N LEU A 70 11.396 8.806 -5.895 1.00 0.00 N ATOM 1078 CA LEU A 70 11.994 8.199 -4.711 1.00 0.00 C ATOM 1079 C LEU A 70 11.440 8.830 -3.438 1.00 0.00 C ATOM 1080 O LEU A 70 11.145 8.135 -2.466 1.00 0.00 O ATOM 1081 CB LEU A 70 13.515 8.350 -4.749 1.00 0.00 C ATOM 1082 CG LEU A 70 14.318 7.231 -4.084 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.624 6.757 -2.817 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.519 6.073 -5.050 1.00 0.00 C ATOM 0 H LEU A 70 12.070 9.156 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 70 11.741 7.139 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.827 8.424 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.778 9.293 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 70 15.297 7.624 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.210 5.961 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.533 7.589 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.632 6.381 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.092 5.286 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.549 5.680 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.060 6.422 -5.929 1.00 0.00 H new ATOM 1096 N MET A 71 11.301 10.152 -3.451 1.00 0.00 N ATOM 1097 CA MET A 71 10.780 10.877 -2.298 1.00 0.00 C ATOM 1098 C MET A 71 9.324 10.504 -2.034 1.00 0.00 C ATOM 1099 O MET A 71 8.983 10.025 -0.951 1.00 0.00 O ATOM 1100 CB MET A 71 10.899 12.386 -2.520 1.00 0.00 C ATOM 1101 CG MET A 71 12.267 12.820 -3.022 1.00 0.00 C ATOM 1102 SD MET A 71 13.613 12.185 -2.004 1.00 0.00 S ATOM 1103 CE MET A 71 14.830 11.793 -3.258 1.00 0.00 C ATOM 0 H MET A 71 11.542 10.743 -4.247 1.00 0.00 H new ATOM 0 HA MET A 71 11.373 10.598 -1.427 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.141 12.700 -3.238 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.684 12.901 -1.584 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.399 12.476 -4.048 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.314 13.909 -3.042 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.444 10.957 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.324 11.521 -4.184 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.465 12.662 -3.433 1.00 0.00 H new ATOM 1113 N ILE A 72 8.472 10.725 -3.028 1.00 0.00 N ATOM 1114 CA ILE A 72 7.054 10.411 -2.902 1.00 0.00 C ATOM 1115 C ILE A 72 6.848 8.970 -2.448 1.00 0.00 C ATOM 1116 O ILE A 72 6.074 8.702 -1.530 1.00 0.00 O ATOM 1117 CB ILE A 72 6.308 10.630 -4.232 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.468 12.078 -4.699 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.837 10.276 -4.079 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.819 13.085 -3.775 1.00 0.00 C ATOM 0 H ILE A 72 8.738 11.120 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 72 6.647 11.088 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 72 6.742 9.975 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.530 12.308 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.037 12.180 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.324 10.436 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.743 9.230 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.389 10.908 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.972 14.090 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.751 12.880 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.267 13.011 -2.784 1.00 0.00 H new ATOM 1132 N ALA A 73 7.548 8.045 -3.098 1.00 0.00 N ATOM 1133 CA ALA A 73 7.446 6.631 -2.759 1.00 0.00 C ATOM 1134 C ALA A 73 7.905 6.375 -1.328 1.00 0.00 C ATOM 1135 O ALA A 73 7.252 5.653 -0.575 1.00 0.00 O ATOM 1136 CB ALA A 73 8.260 5.794 -3.734 1.00 0.00 C ATOM 0 H ALA A 73 8.192 8.250 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 73 6.398 6.340 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.174 4.740 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.883 5.945 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.306 6.096 -3.687 1.00 0.00 H new ATOM 1142 N SER A 74 9.034 6.972 -0.958 1.00 0.00 N ATOM 1143 CA SER A 74 9.584 6.805 0.383 1.00 0.00 C ATOM 1144 C SER A 74 8.601 7.301 1.439 1.00 0.00 C ATOM 1145 O SER A 74 8.286 6.591 2.393 1.00 0.00 O ATOM 1146 CB SER A 74 10.910 7.556 0.510 1.00 0.00 C ATOM 1147 OG SER A 74 10.694 8.936 0.748 1.00 0.00 O ATOM 0 H SER A 74 9.586 7.576 -1.568 1.00 0.00 H new ATOM 0 HA SER A 74 9.760 5.742 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.496 7.131 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.493 7.428 -0.402 1.00 0.00 H new ATOM 0 HG SER A 74 10.315 9.351 -0.055 1.00 0.00 H new ATOM 1153 N SER A 75 8.120 8.528 1.260 1.00 0.00 N ATOM 1154 CA SER A 75 7.176 9.123 2.198 1.00 0.00 C ATOM 1155 C SER A 75 5.989 8.195 2.437 1.00 0.00 C ATOM 1156 O SER A 75 5.558 7.998 3.574 1.00 0.00 O ATOM 1157 CB SER A 75 6.685 10.473 1.673 1.00 0.00 C ATOM 1158 OG SER A 75 6.661 10.492 0.257 1.00 0.00 O ATOM 0 H SER A 75 8.369 9.129 0.474 1.00 0.00 H new ATOM 0 HA SER A 75 7.692 9.276 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.686 10.675 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.335 11.267 2.039 1.00 0.00 H new ATOM 0 HG SER A 75 6.194 9.696 -0.073 1.00 0.00 H new ATOM 1164 N LEU A 76 5.464 7.627 1.356 1.00 0.00 N ATOM 1165 CA LEU A 76 4.326 6.719 1.446 1.00 0.00 C ATOM 1166 C LEU A 76 4.565 5.649 2.506 1.00 0.00 C ATOM 1167 O LEU A 76 3.634 5.212 3.183 1.00 0.00 O ATOM 1168 CB LEU A 76 4.066 6.060 0.090 1.00 0.00 C ATOM 1169 CG LEU A 76 3.270 6.890 -0.918 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.442 6.332 -2.322 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.798 6.928 -0.533 1.00 0.00 C ATOM 0 H LEU A 76 5.808 7.779 0.408 1.00 0.00 H new ATOM 0 HA LEU A 76 3.451 7.301 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.027 5.805 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.535 5.124 0.260 1.00 0.00 H new ATOM 0 HG LEU A 76 3.654 7.910 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.869 6.935 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.496 6.358 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.084 5.303 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.247 7.523 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.400 5.913 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.692 7.375 0.455 1.00 0.00 H new ATOM 1183 N LEU A 77 5.818 5.232 2.647 1.00 0.00 N ATOM 1184 CA LEU A 77 6.181 4.215 3.627 1.00 0.00 C ATOM 1185 C LEU A 77 6.269 4.814 5.027 1.00 0.00 C ATOM 1186 O LEU A 77 6.119 4.110 6.025 1.00 0.00 O ATOM 1187 CB LEU A 77 7.517 3.570 3.251 1.00 0.00 C ATOM 1188 CG LEU A 77 7.439 2.357 2.324 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.833 1.896 1.930 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.669 1.225 2.989 1.00 0.00 C ATOM 0 H LEU A 77 6.600 5.583 2.095 1.00 0.00 H new ATOM 0 HA LEU A 77 5.403 3.452 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.142 4.326 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.023 3.269 4.168 1.00 0.00 H new ATOM 0 HG LEU A 77 6.906 2.649 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.757 1.032 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.351 2.704 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.392 1.622 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.624 0.370 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.174 0.934 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.657 1.559 3.219 1.00 0.00 H new ATOM 1202 N ASN A 78 6.510 6.119 5.092 1.00 0.00 N ATOM 1203 CA ASN A 78 6.616 6.814 6.370 1.00 0.00 C ATOM 1204 C ASN A 78 5.241 7.001 7.003 1.00 0.00 C ATOM 1205 O ASN A 78 5.104 7.001 8.226 1.00 0.00 O ATOM 1206 CB ASN A 78 7.292 8.173 6.181 1.00 0.00 C ATOM 1207 CG ASN A 78 8.800 8.095 6.329 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.325 7.185 6.971 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.503 9.052 5.735 1.00 0.00 N ATOM 0 H ASN A 78 6.636 6.717 4.275 1.00 0.00 H new ATOM 0 HA ASN A 78 7.224 6.203 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.046 8.564 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.894 8.878 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.521 9.052 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.025 9.787 5.213 1.00 0.00 H new ATOM 1216 N GLU A 79 4.225 7.161 6.161 1.00 0.00 N ATOM 1217 CA GLU A 79 2.860 7.350 6.638 1.00 0.00 C ATOM 1218 C GLU A 79 2.172 6.006 6.866 1.00 0.00 C ATOM 1219 O GLU A 79 1.331 5.870 7.753 1.00 0.00 O ATOM 1220 CB GLU A 79 2.056 8.183 5.638 1.00 0.00 C ATOM 1221 CG GLU A 79 2.563 9.607 5.486 1.00 0.00 C ATOM 1222 CD GLU A 79 2.227 10.476 6.682 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.227 10.180 7.368 1.00 0.00 O ATOM 1224 OE2 GLU A 79 2.965 11.453 6.932 1.00 0.00 O ATOM 0 H GLU A 79 4.321 7.164 5.146 1.00 0.00 H new ATOM 0 HA GLU A 79 2.906 7.882 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.081 7.692 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.013 8.209 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.644 9.591 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.131 10.049 4.588 1.00 0.00 H new ATOM 1231 N GLY A 80 2.538 5.016 6.057 1.00 0.00 N ATOM 1232 CA GLY A 80 1.947 3.697 6.185 1.00 0.00 C ATOM 1233 C GLY A 80 1.271 3.238 4.909 1.00 0.00 C ATOM 1234 O GLY A 80 0.993 2.051 4.737 1.00 0.00 O ATOM 0 H GLY A 80 3.233 5.104 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.721 2.981 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.218 3.706 6.996 1.00 0.00 H new ATOM 1238 N TYR A 81 1.003 4.180 4.012 1.00 0.00 N ATOM 1239 CA TYR A 81 0.351 3.867 2.746 1.00 0.00 C ATOM 1240 C TYR A 81 0.925 2.591 2.138 1.00 0.00 C ATOM 1241 O TYR A 81 0.198 1.783 1.559 1.00 0.00 O ATOM 1242 CB TYR A 81 0.511 5.029 1.764 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.187 6.295 2.207 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.573 6.360 2.276 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.539 7.428 2.554 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.216 7.515 2.679 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.094 8.586 2.959 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.472 8.625 3.020 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.107 9.778 3.422 1.00 0.00 O ATOM 0 H TYR A 81 1.227 5.167 4.138 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.709 3.709 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.573 5.237 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.120 4.729 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.158 5.492 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.618 7.402 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.294 7.548 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.486 9.457 3.227 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.439 10.465 3.627 1.00 0.00 H new ATOM 1259 N LEU A 82 2.235 2.416 2.275 1.00 0.00 N ATOM 1260 CA LEU A 82 2.910 1.238 1.741 1.00 0.00 C ATOM 1261 C LEU A 82 3.557 0.427 2.859 1.00 0.00 C ATOM 1262 O LEU A 82 4.122 0.988 3.797 1.00 0.00 O ATOM 1263 CB LEU A 82 3.968 1.652 0.717 1.00 0.00 C ATOM 1264 CG LEU A 82 3.444 2.291 -0.570 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.582 2.927 -1.352 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.721 1.258 -1.422 1.00 0.00 C ATOM 0 H LEU A 82 2.851 3.075 2.751 1.00 0.00 H new ATOM 0 HA LEU A 82 2.163 0.614 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.652 2.353 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.551 0.770 0.450 1.00 0.00 H new ATOM 0 HG LEU A 82 2.734 3.073 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.190 3.376 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.056 3.697 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.317 2.164 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.355 1.730 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.410 0.454 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.880 0.849 -0.862 1.00 0.00 H new ATOM 1278 N GLN A 83 3.471 -0.895 2.750 1.00 0.00 N ATOM 1279 CA GLN A 83 4.050 -1.782 3.752 1.00 0.00 C ATOM 1280 C GLN A 83 5.081 -2.714 3.123 1.00 0.00 C ATOM 1281 O GLN A 83 4.811 -3.407 2.143 1.00 0.00 O ATOM 1282 CB GLN A 83 2.953 -2.602 4.433 1.00 0.00 C ATOM 1283 CG GLN A 83 1.820 -1.757 4.991 1.00 0.00 C ATOM 1284 CD GLN A 83 2.258 -0.889 6.154 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.240 -1.190 6.833 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.529 0.196 6.391 1.00 0.00 N ATOM 0 H GLN A 83 3.007 -1.375 1.979 1.00 0.00 H new ATOM 0 HA GLN A 83 4.551 -1.167 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.545 -3.314 3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.395 -3.183 5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.421 -1.123 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.010 -2.410 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.723 0.407 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.775 0.818 7.161 1.00 0.00 H new ATOM 1295 N PRO A 84 6.292 -2.731 3.699 1.00 0.00 N ATOM 1296 CA PRO A 84 7.389 -3.573 3.211 1.00 0.00 C ATOM 1297 C PRO A 84 7.138 -5.055 3.466 1.00 0.00 C ATOM 1298 O PRO A 84 6.546 -5.429 4.478 1.00 0.00 O ATOM 1299 CB PRO A 84 8.595 -3.088 4.019 1.00 0.00 C ATOM 1300 CG PRO A 84 8.012 -2.517 5.265 1.00 0.00 C ATOM 1301 CD PRO A 84 6.685 -1.930 4.870 1.00 0.00 C ATOM 0 HA PRO A 84 7.520 -3.488 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.278 -3.908 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.164 -2.339 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.887 -3.287 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.666 -1.754 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.955 -2.010 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.771 -0.872 4.622 1.00 0.00 H new ATOM 1309 N ALA A 85 7.594 -5.895 2.542 1.00 0.00 N ATOM 1310 CA ALA A 85 7.421 -7.337 2.669 1.00 0.00 C ATOM 1311 C ALA A 85 8.723 -8.074 2.374 1.00 0.00 C ATOM 1312 O ALA A 85 9.002 -8.428 1.230 1.00 0.00 O ATOM 1313 CB ALA A 85 6.317 -7.820 1.740 1.00 0.00 C ATOM 0 H ALA A 85 8.086 -5.602 1.698 1.00 0.00 H new ATOM 0 HA ALA A 85 7.136 -7.555 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.199 -8.898 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.381 -7.325 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.579 -7.583 0.709 1.00 0.00 H new ATOM 1319 N GLY A 86 9.519 -8.301 3.415 1.00 0.00 N ATOM 1320 CA GLY A 86 10.782 -8.994 3.246 1.00 0.00 C ATOM 1321 C GLY A 86 11.905 -8.354 4.040 1.00 0.00 C ATOM 1322 O GLY A 86 11.923 -7.138 4.233 1.00 0.00 O ATOM 0 H GLY A 86 9.311 -8.017 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.668 -10.033 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.049 -9.005 2.189 1.00 0.00 H new ATOM 1326 N ASP A 87 12.843 -9.174 4.501 1.00 0.00 N ATOM 1327 CA ASP A 87 13.974 -8.681 5.279 1.00 0.00 C ATOM 1328 C ASP A 87 14.634 -7.493 4.585 1.00 0.00 C ATOM 1329 O ASP A 87 14.942 -6.485 5.219 1.00 0.00 O ATOM 1330 CB ASP A 87 14.998 -9.797 5.492 1.00 0.00 C ATOM 1331 CG ASP A 87 16.146 -9.366 6.384 1.00 0.00 C ATOM 1332 OD1 ASP A 87 15.880 -8.760 7.443 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.310 -9.635 6.023 1.00 0.00 O ATOM 0 H ASP A 87 12.843 -10.183 4.350 1.00 0.00 H new ATOM 0 HA ASP A 87 13.601 -8.351 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.503 -10.661 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.391 -10.115 4.526 1.00 0.00 H new ATOM 1338 N MET A 88 14.848 -7.622 3.280 1.00 0.00 N ATOM 1339 CA MET A 88 15.472 -6.559 2.500 1.00 0.00 C ATOM 1340 C MET A 88 14.970 -5.190 2.948 1.00 0.00 C ATOM 1341 O MET A 88 15.696 -4.431 3.590 1.00 0.00 O ATOM 1342 CB MET A 88 15.189 -6.757 1.010 1.00 0.00 C ATOM 1343 CG MET A 88 15.980 -5.820 0.111 1.00 0.00 C ATOM 1344 SD MET A 88 16.291 -6.522 -1.521 1.00 0.00 S ATOM 1345 CE MET A 88 16.914 -5.087 -2.393 1.00 0.00 C ATOM 0 H MET A 88 14.599 -8.451 2.740 1.00 0.00 H new ATOM 0 HA MET A 88 16.548 -6.604 2.667 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.419 -7.787 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.125 -6.609 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.435 -4.882 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.931 -5.582 0.587 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.681 -5.397 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.097 -4.604 -2.929 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.344 -4.385 -1.678 1.00 0.00 H new ATOM 1355 N SER A 89 13.724 -4.880 2.604 1.00 0.00 N ATOM 1356 CA SER A 89 13.126 -3.600 2.967 1.00 0.00 C ATOM 1357 C SER A 89 12.982 -3.478 4.481 1.00 0.00 C ATOM 1358 O SER A 89 13.320 -2.451 5.068 1.00 0.00 O ATOM 1359 CB SER A 89 11.759 -3.444 2.299 1.00 0.00 C ATOM 1360 OG SER A 89 10.965 -4.604 2.484 1.00 0.00 O ATOM 0 H SER A 89 13.109 -5.498 2.074 1.00 0.00 H new ATOM 0 HA SER A 89 13.786 -2.806 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.245 -2.577 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.891 -3.256 1.233 1.00 0.00 H new ATOM 0 HG SER A 89 10.096 -4.478 2.049 1.00 0.00 H new ATOM 1366 N LYS A 90 12.476 -4.535 5.107 1.00 0.00 N ATOM 1367 CA LYS A 90 12.287 -4.550 6.553 1.00 0.00 C ATOM 1368 C LYS A 90 13.524 -4.016 7.269 1.00 0.00 C ATOM 1369 O LYS A 90 13.449 -3.584 8.419 1.00 0.00 O ATOM 1370 CB LYS A 90 11.980 -5.970 7.034 1.00 0.00 C ATOM 1371 CG LYS A 90 10.503 -6.320 6.991 1.00 0.00 C ATOM 1372 CD LYS A 90 10.274 -7.804 7.223 1.00 0.00 C ATOM 1373 CE LYS A 90 8.809 -8.107 7.494 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.387 -7.646 8.846 1.00 0.00 N ATOM 0 H LYS A 90 12.189 -5.393 4.636 1.00 0.00 H new ATOM 0 HA LYS A 90 11.443 -3.902 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.531 -6.680 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.343 -6.085 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.970 -5.746 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.088 -6.034 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.607 -8.365 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.878 -8.139 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.192 -7.623 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.638 -9.180 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.454 -8.045 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.081 -7.963 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.331 -6.608 8.857 1.00 0.00 H new ATOM 1388 N SER A 91 14.660 -4.047 6.581 1.00 0.00 N ATOM 1389 CA SER A 91 15.914 -3.568 7.152 1.00 0.00 C ATOM 1390 C SER A 91 16.109 -2.083 6.864 1.00 0.00 C ATOM 1391 O SER A 91 16.666 -1.350 7.681 1.00 0.00 O ATOM 1392 CB SER A 91 17.092 -4.368 6.592 1.00 0.00 C ATOM 1393 OG SER A 91 17.265 -5.584 7.299 1.00 0.00 O ATOM 0 H SER A 91 14.739 -4.399 5.627 1.00 0.00 H new ATOM 0 HA SER A 91 15.871 -3.708 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.923 -4.579 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.003 -3.773 6.657 1.00 0.00 H new ATOM 0 HG SER A 91 18.023 -6.077 6.921 1.00 0.00 H new ATOM 1399 N ALA A 92 15.647 -1.647 5.697 1.00 0.00 N ATOM 1400 CA ALA A 92 15.769 -0.249 5.301 1.00 0.00 C ATOM 1401 C ALA A 92 14.752 0.619 6.032 1.00 0.00 C ATOM 1402 O ALA A 92 15.059 1.736 6.448 1.00 0.00 O ATOM 1403 CB ALA A 92 15.599 -0.111 3.795 1.00 0.00 C ATOM 0 H ALA A 92 15.185 -2.241 5.009 1.00 0.00 H new ATOM 0 HA ALA A 92 16.766 0.096 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.692 0.938 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.368 -0.693 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.615 -0.479 3.505 1.00 0.00 H new ATOM 1409 N VAL A 93 13.538 0.099 6.186 1.00 0.00 N ATOM 1410 CA VAL A 93 12.475 0.827 6.868 1.00 0.00 C ATOM 1411 C VAL A 93 12.812 1.042 8.339 1.00 0.00 C ATOM 1412 O VAL A 93 12.640 2.139 8.872 1.00 0.00 O ATOM 1413 CB VAL A 93 11.130 0.084 6.765 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.716 -0.072 5.309 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.216 -1.271 7.451 1.00 0.00 C ATOM 0 H VAL A 93 13.267 -0.824 5.847 1.00 0.00 H new ATOM 0 HA VAL A 93 12.387 1.794 6.373 1.00 0.00 H new ATOM 0 HB VAL A 93 10.368 0.675 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.763 -0.599 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.612 0.912 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.476 -0.641 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.257 -1.782 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.990 -1.872 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.463 -1.131 8.503 1.00 0.00 H new ATOM 1425 N ASP A 94 13.294 -0.010 8.990 1.00 0.00 N ATOM 1426 CA ASP A 94 13.658 0.063 10.400 1.00 0.00 C ATOM 1427 C ASP A 94 14.944 0.862 10.589 1.00 0.00 C ATOM 1428 O ASP A 94 14.997 1.791 11.393 1.00 0.00 O ATOM 1429 CB ASP A 94 13.826 -1.342 10.979 1.00 0.00 C ATOM 1430 CG ASP A 94 12.501 -2.057 11.159 1.00 0.00 C ATOM 1431 OD1 ASP A 94 11.518 -1.394 11.549 1.00 0.00 O ATOM 1432 OD2 ASP A 94 12.448 -3.280 10.909 1.00 0.00 O ATOM 0 H ASP A 94 13.442 -0.925 8.564 1.00 0.00 H new ATOM 0 HA ASP A 94 12.854 0.572 10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.466 -1.929 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.334 -1.277 11.941 1.00 0.00 H new ATOM 1483 N ASN A 99 15.893 7.548 3.495 1.00 0.00 N ATOM 1484 CA ASN A 99 14.686 7.054 2.843 1.00 0.00 C ATOM 1485 C ASN A 99 14.524 5.553 3.061 1.00 0.00 C ATOM 1486 O ASN A 99 15.408 4.756 2.744 1.00 0.00 O ATOM 1487 CB ASN A 99 14.728 7.362 1.345 1.00 0.00 C ATOM 1488 CG ASN A 99 16.144 7.396 0.801 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.515 8.307 0.061 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.942 6.400 1.167 1.00 0.00 N ATOM 0 HA ASN A 99 13.830 7.561 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.153 6.610 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.248 8.323 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.905 6.369 0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.592 5.666 1.782 1.00 0.00 H new ATOM 1497 N PRO A 100 13.369 5.156 3.614 1.00 0.00 N ATOM 1498 CA PRO A 100 13.063 3.749 3.886 1.00 0.00 C ATOM 1499 C PRO A 100 12.840 2.947 2.608 1.00 0.00 C ATOM 1500 O PRO A 100 12.736 1.720 2.643 1.00 0.00 O ATOM 1501 CB PRO A 100 11.773 3.817 4.706 1.00 0.00 C ATOM 1502 CG PRO A 100 11.139 5.105 4.307 1.00 0.00 C ATOM 1503 CD PRO A 100 12.271 6.051 4.016 1.00 0.00 C ATOM 0 HA PRO A 100 13.883 3.246 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.121 2.971 4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 100 11.982 3.793 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.506 4.973 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.503 5.491 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.014 6.753 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.535 6.643 4.892 1.00 0.00 H new ATOM 1511 N PHE A 101 12.767 3.647 1.481 1.00 0.00 N ATOM 1512 CA PHE A 101 12.556 2.999 0.191 1.00 0.00 C ATOM 1513 C PHE A 101 13.881 2.540 -0.411 1.00 0.00 C ATOM 1514 O PHE A 101 14.939 3.093 -0.107 1.00 0.00 O ATOM 1515 CB PHE A 101 11.849 3.954 -0.773 1.00 0.00 C ATOM 1516 CG PHE A 101 10.956 3.258 -1.759 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.798 2.624 -1.338 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.275 3.236 -3.108 1.00 0.00 C ATOM 1519 CE1 PHE A 101 8.973 1.983 -2.244 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.454 2.597 -4.017 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.303 1.968 -3.585 1.00 0.00 C ATOM 0 H PHE A 101 12.851 4.662 1.434 1.00 0.00 H new ATOM 0 HA PHE A 101 11.927 2.123 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.257 4.665 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.598 4.529 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.537 2.631 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.175 3.724 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.072 1.495 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.712 2.589 -5.066 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.662 1.465 -4.294 1.00 0.00 H new ATOM 1531 N LEU A 102 13.815 1.525 -1.265 1.00 0.00 N ATOM 1532 CA LEU A 102 15.009 0.989 -1.910 1.00 0.00 C ATOM 1533 C LEU A 102 14.885 1.059 -3.428 1.00 0.00 C ATOM 1534 O LEU A 102 15.790 0.647 -4.155 1.00 0.00 O ATOM 1535 CB LEU A 102 15.243 -0.458 -1.472 1.00 0.00 C ATOM 1536 CG LEU A 102 15.428 -0.684 0.029 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.836 -2.122 0.306 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.460 0.283 0.591 1.00 0.00 C ATOM 0 H LEU A 102 12.948 1.056 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 102 15.861 1.597 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.398 -1.059 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.127 -0.834 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 102 14.476 -0.496 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.963 -2.264 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.062 -2.797 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.776 -2.338 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.579 0.108 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.415 0.128 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.126 1.307 0.426 1.00 0.00 H new ATOM 1550 N ASP A 103 13.761 1.586 -3.901 1.00 0.00 N ATOM 1551 CA ASP A 103 13.520 1.714 -5.334 1.00 0.00 C ATOM 1552 C ASP A 103 14.140 0.546 -6.095 1.00 0.00 C ATOM 1553 O ASP A 103 14.838 0.741 -7.089 1.00 0.00 O ATOM 1554 CB ASP A 103 14.089 3.036 -5.852 1.00 0.00 C ATOM 1555 CG ASP A 103 14.028 3.139 -7.364 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.245 2.385 -7.979 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.762 3.974 -7.931 1.00 0.00 O ATOM 0 H ASP A 103 13.002 1.932 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 103 12.443 1.701 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.534 3.865 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.124 3.136 -5.525 1.00 0.00 H new ATOM 1562 N ASN A 104 13.879 -0.668 -5.621 1.00 0.00 N ATOM 1563 CA ASN A 104 14.413 -1.867 -6.256 1.00 0.00 C ATOM 1564 C ASN A 104 13.304 -2.880 -6.524 1.00 0.00 C ATOM 1565 O ASN A 104 12.295 -2.935 -5.820 1.00 0.00 O ATOM 1566 CB ASN A 104 15.493 -2.499 -5.375 1.00 0.00 C ATOM 1567 CG ASN A 104 16.878 -1.966 -5.688 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.099 -1.354 -6.733 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.820 -2.198 -4.781 1.00 0.00 N ATOM 0 H ASN A 104 13.301 -0.847 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 104 14.855 -1.577 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.261 -2.308 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.483 -3.580 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.771 -1.864 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.592 -2.710 -3.929 1.00 0.00 H new ATOM 1576 N PRO A 105 13.493 -3.702 -7.567 1.00 0.00 N ATOM 1577 CA PRO A 105 12.520 -4.729 -7.951 1.00 0.00 C ATOM 1578 C PRO A 105 12.448 -5.868 -6.940 1.00 0.00 C ATOM 1579 O PRO A 105 11.501 -6.654 -6.942 1.00 0.00 O ATOM 1580 CB PRO A 105 13.053 -5.238 -9.293 1.00 0.00 C ATOM 1581 CG PRO A 105 14.515 -4.957 -9.251 1.00 0.00 C ATOM 1582 CD PRO A 105 14.671 -3.694 -8.450 1.00 0.00 C ATOM 0 HA PRO A 105 11.507 -4.331 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.858 -6.303 -9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.575 -4.726 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.058 -5.782 -8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.918 -4.834 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.600 -3.692 -7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.687 -2.812 -9.090 1.00 0.00 H new ATOM 1590 N ASP A 106 13.456 -5.952 -6.078 1.00 0.00 N ATOM 1591 CA ASP A 106 13.506 -6.994 -5.060 1.00 0.00 C ATOM 1592 C ASP A 106 12.712 -6.585 -3.824 1.00 0.00 C ATOM 1593 O ASP A 106 12.158 -7.431 -3.121 1.00 0.00 O ATOM 1594 CB ASP A 106 14.956 -7.290 -4.674 1.00 0.00 C ATOM 1595 CG ASP A 106 15.113 -8.640 -4.002 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.197 -9.478 -4.135 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.150 -8.858 -3.342 1.00 0.00 O ATOM 0 H ASP A 106 14.249 -5.311 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 106 13.057 -7.896 -5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.580 -7.257 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.317 -6.510 -4.004 1.00 0.00 H new ATOM 1602 N ALA A 107 12.661 -5.283 -3.563 1.00 0.00 N ATOM 1603 CA ALA A 107 11.933 -4.762 -2.412 1.00 0.00 C ATOM 1604 C ALA A 107 10.427 -4.826 -2.640 1.00 0.00 C ATOM 1605 O ALA A 107 9.839 -3.922 -3.234 1.00 0.00 O ATOM 1606 CB ALA A 107 12.364 -3.333 -2.119 1.00 0.00 C ATOM 0 H ALA A 107 13.115 -4.569 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 107 12.170 -5.386 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.813 -2.956 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.432 -3.312 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.156 -2.705 -2.986 1.00 0.00 H new ATOM 1612 N PHE A 108 9.806 -5.901 -2.165 1.00 0.00 N ATOM 1613 CA PHE A 108 8.368 -6.084 -2.319 1.00 0.00 C ATOM 1614 C PHE A 108 7.601 -5.223 -1.320 1.00 0.00 C ATOM 1615 O PHE A 108 8.072 -4.970 -0.211 1.00 0.00 O ATOM 1616 CB PHE A 108 7.997 -7.557 -2.131 1.00 0.00 C ATOM 1617 CG PHE A 108 9.020 -8.508 -2.681 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.416 -8.429 -4.007 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.586 -9.481 -1.873 1.00 0.00 C ATOM 1620 CE1 PHE A 108 10.358 -9.303 -4.516 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.529 -10.357 -2.377 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.914 -10.269 -3.701 1.00 0.00 C ATOM 0 H PHE A 108 10.277 -6.659 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 108 8.093 -5.773 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.862 -7.756 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.039 -7.747 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.984 -7.676 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.287 -9.556 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.659 -9.230 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.964 -11.110 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.648 -10.954 -4.098 1.00 0.00 H new ATOM 1632 N TYR A 109 6.416 -4.775 -1.721 1.00 0.00 N ATOM 1633 CA TYR A 109 5.584 -3.940 -0.864 1.00 0.00 C ATOM 1634 C TYR A 109 4.111 -4.311 -1.005 1.00 0.00 C ATOM 1635 O TYR A 109 3.741 -5.116 -1.860 1.00 0.00 O ATOM 1636 CB TYR A 109 5.784 -2.463 -1.206 1.00 0.00 C ATOM 1637 CG TYR A 109 7.164 -1.945 -0.869 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.509 -1.628 0.439 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.123 -1.773 -1.860 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.769 -1.154 0.750 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.386 -1.300 -1.557 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.704 -0.992 -0.251 1.00 0.00 C ATOM 1643 OH TYR A 109 10.960 -0.521 0.056 1.00 0.00 O ATOM 0 H TYR A 109 6.010 -4.977 -2.635 1.00 0.00 H new ATOM 0 HA TYR A 109 5.886 -4.111 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.600 -2.317 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.042 -1.871 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.780 -1.754 1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.877 -2.013 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.021 -0.912 1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.120 -1.172 -2.339 1.00 0.00 H new ATOM 0 HH TYR A 109 11.498 -0.466 -0.762 1.00 0.00 H new ATOM 1653 N TYR A 110 3.274 -3.718 -0.161 1.00 0.00 N ATOM 1654 CA TYR A 110 1.842 -3.986 -0.189 1.00 0.00 C ATOM 1655 C TYR A 110 1.073 -2.926 0.594 1.00 0.00 C ATOM 1656 O TYR A 110 1.582 -2.363 1.563 1.00 0.00 O ATOM 1657 CB TYR A 110 1.550 -5.373 0.387 1.00 0.00 C ATOM 1658 CG TYR A 110 1.782 -5.471 1.877 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.845 -4.983 2.780 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.939 -6.050 2.384 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.053 -5.070 4.143 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.155 -6.142 3.745 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.209 -5.650 4.621 1.00 0.00 C ATOM 1664 OH TYR A 110 2.421 -5.739 5.977 1.00 0.00 O ATOM 0 H TYR A 110 3.563 -3.048 0.552 1.00 0.00 H new ATOM 0 HA TYR A 110 1.513 -3.954 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.515 -5.636 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.178 -6.107 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.062 -4.528 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.682 -6.435 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.314 -4.686 4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.059 -6.597 4.122 1.00 0.00 H new ATOM 0 HH TYR A 110 3.282 -6.175 6.146 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.157 -2.660 0.167 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.997 -1.667 0.826 1.00 0.00 C ATOM 1676 C PHE A 111 -1.688 -2.266 2.048 1.00 0.00 C ATOM 1677 O PHE A 111 -2.083 -3.432 2.061 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.043 -1.124 -0.150 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.456 -0.616 -1.435 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.648 0.510 -1.446 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.711 -1.264 -2.633 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.108 0.980 -2.628 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.173 -0.798 -3.818 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.370 0.325 -3.815 1.00 0.00 C ATOM 0 H PHE A 111 -0.594 -3.118 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.358 -0.848 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.762 -1.912 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.594 -0.317 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.438 1.026 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.338 -2.144 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.519 1.859 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.381 -1.312 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.052 0.691 -4.739 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.836 -1.449 3.102 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.479 -1.875 4.349 1.00 0.00 C ATOM 1696 C PRO A 112 -3.979 -2.093 4.183 1.00 0.00 C ATOM 1697 O PRO A 112 -4.619 -2.734 5.017 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.211 -0.708 5.302 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.030 0.474 4.413 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.389 -0.047 3.157 1.00 0.00 C ATOM 0 HA PRO A 112 -2.091 -2.830 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.042 -0.561 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.323 -0.888 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.987 0.948 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.402 1.227 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.712 0.512 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.302 0.027 3.200 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.534 -1.558 3.101 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.959 -1.696 2.825 1.00 0.00 C ATOM 1710 C ASP A 113 -6.225 -2.906 1.934 1.00 0.00 C ATOM 1711 O ASP A 113 -7.300 -3.503 1.987 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.496 -0.429 2.158 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.961 -0.546 1.788 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.260 -1.123 0.721 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.810 -0.062 2.565 1.00 0.00 O ATOM 0 H ASP A 113 -4.019 -1.025 2.401 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.475 -1.845 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.361 0.418 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.913 -0.219 1.261 1.00 0.00 H new ATOM 1720 N SER A 114 -5.239 -3.261 1.117 1.00 0.00 N ATOM 1721 CA SER A 114 -5.369 -4.396 0.211 1.00 0.00 C ATOM 1722 C SER A 114 -5.686 -5.674 0.983 1.00 0.00 C ATOM 1723 O SER A 114 -6.678 -6.348 0.709 1.00 0.00 O ATOM 1724 CB SER A 114 -4.082 -4.581 -0.596 1.00 0.00 C ATOM 1725 OG SER A 114 -4.040 -3.693 -1.699 1.00 0.00 O ATOM 0 H SER A 114 -4.342 -2.779 1.064 1.00 0.00 H new ATOM 0 HA SER A 114 -6.193 -4.191 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.218 -4.409 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.016 -5.610 -0.950 1.00 0.00 H new ATOM 0 HG SER A 114 -3.598 -4.132 -2.456 1.00 0.00 H new ATOM 1731 N GLY A 115 -4.835 -6.000 1.951 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.041 -7.195 2.748 1.00 0.00 C ATOM 1733 C GLY A 115 -3.926 -8.207 2.574 1.00 0.00 C ATOM 1734 O GLY A 115 -4.177 -9.410 2.498 1.00 0.00 O ATOM 0 H GLY A 115 -4.007 -5.458 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.115 -6.918 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.990 -7.654 2.471 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.691 -7.720 2.509 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.534 -8.591 2.339 1.00 0.00 C ATOM 1740 C PHE A 116 -1.664 -9.843 3.202 1.00 0.00 C ATOM 1741 O PHE A 116 -1.849 -9.757 4.416 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.249 -7.842 2.697 1.00 0.00 C ATOM 1743 CG PHE A 116 0.871 -8.746 3.130 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.939 -9.212 4.433 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.856 -9.128 2.233 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.967 -10.043 4.834 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.886 -9.960 2.628 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.943 -10.417 3.930 1.00 0.00 C ATOM 0 H PHE A 116 -2.466 -6.727 2.571 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.490 -8.895 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 116 0.076 -7.262 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.462 -7.132 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.179 -8.922 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.818 -8.772 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.008 -10.400 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.646 -10.253 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.749 -11.065 4.241 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.566 -11.005 2.566 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.674 -12.276 3.275 1.00 0.00 C ATOM 1760 C PHE A 117 -0.532 -13.211 2.891 1.00 0.00 C ATOM 1761 O PHE A 117 -0.423 -13.636 1.740 1.00 0.00 O ATOM 1762 CB PHE A 117 -3.018 -12.941 2.970 1.00 0.00 C ATOM 1763 CG PHE A 117 -3.021 -13.729 1.691 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -2.557 -15.035 1.666 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.486 -13.164 0.515 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.558 -15.761 0.490 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.490 -13.886 -0.664 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.026 -15.187 -0.676 1.00 0.00 C ATOM 0 H PHE A 117 -1.412 -11.094 1.562 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.611 -12.074 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.283 -13.602 3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.790 -12.173 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.191 -15.490 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.850 -12.147 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -2.193 -16.777 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.855 -13.434 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.029 -15.754 -1.595 1.00 0.00 H new ATOM 1778 N CYS A 118 0.317 -13.528 3.862 1.00 0.00 N ATOM 1779 CA CYS A 118 1.453 -14.412 3.626 1.00 0.00 C ATOM 1780 C CYS A 118 1.028 -15.875 3.705 1.00 0.00 C ATOM 1781 O CYS A 118 0.197 -16.246 4.532 1.00 0.00 O ATOM 1782 CB CYS A 118 2.561 -14.135 4.643 1.00 0.00 C ATOM 1783 SG CYS A 118 1.974 -13.953 6.343 1.00 0.00 S ATOM 0 H CYS A 118 0.240 -13.186 4.820 1.00 0.00 H new ATOM 0 HA CYS A 118 1.833 -14.216 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.286 -14.948 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.087 -13.226 4.352 1.00 0.00 H new ATOM 0 HG CYS A 118 2.984 -13.724 7.129 1.00 0.00 H new ATOM 1789 N GLU A 119 1.605 -16.701 2.837 1.00 0.00 N ATOM 1790 CA GLU A 119 1.283 -18.123 2.807 1.00 0.00 C ATOM 1791 C GLU A 119 2.547 -18.969 2.933 1.00 0.00 C ATOM 1792 O GLU A 119 3.049 -19.503 1.944 1.00 0.00 O ATOM 1793 CB GLU A 119 0.547 -18.475 1.513 1.00 0.00 C ATOM 1794 CG GLU A 119 0.974 -17.634 0.322 1.00 0.00 C ATOM 1795 CD GLU A 119 0.700 -18.319 -1.003 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.032 -19.516 -1.132 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.155 -17.658 -1.912 1.00 0.00 O ATOM 0 H GLU A 119 2.297 -16.410 2.146 1.00 0.00 H new ATOM 0 HA GLU A 119 0.634 -18.341 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.716 -19.527 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.525 -18.351 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.449 -16.679 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.039 -17.414 0.400 1.00 0.00 H new