USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -0.461 K(o=-0.43,f=-2.6) USER MOD Set 1.2: A 106 SER OG : rot 128:sc= 0.027 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.32) USER MOD Single : A 20 MET CE :methyl -169:sc=-0.00875 (180deg=-0.235) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 153:sc= -1.75 USER MOD Single : A 31 SER OG : rot 117:sc= -1.03 USER MOD Single : A 33 GLN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.046) USER MOD Single : A 45 ASN : amide:sc= 0.942 K(o=0.94,f=-2.4!) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.58 USER MOD Single : A 52 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 77:sc= 0.277 USER MOD Single : A 67 SER OG : rot 51:sc= -3.02! USER MOD Single : A 71 MET CE :methyl -142:sc= -1.4 (180deg=-1.99!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc=-0.00583 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.099) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -4.9! C(o=-4.9!,f=-8.9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -108:sc= -6.07! USER MOD Single : A 108 SER OG : rot 180:sc= 0.154 USER MOD Single : A 111 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.2!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 114 THR OG1 : rot 170:sc= 0.702 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.928 12.054 -3.733 1.00 0.00 N ATOM 151 CA ALA A 14 10.865 11.067 -3.643 1.00 0.00 C ATOM 152 C ALA A 14 11.031 10.042 -4.767 1.00 0.00 C ATOM 153 O ALA A 14 11.752 10.285 -5.733 1.00 0.00 O ATOM 154 CB ALA A 14 9.508 11.772 -3.693 1.00 0.00 C ATOM 0 HA ALA A 14 10.919 10.530 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.711 11.032 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.429 12.468 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.417 12.319 -4.631 1.00 0.00 H new ATOM 160 N PRO A 15 10.333 8.887 -4.598 1.00 0.00 N ATOM 161 CA PRO A 15 10.395 7.823 -5.587 1.00 0.00 C ATOM 162 C PRO A 15 9.574 8.179 -6.828 1.00 0.00 C ATOM 163 O PRO A 15 8.518 8.801 -6.721 1.00 0.00 O ATOM 164 CB PRO A 15 9.879 6.587 -4.868 1.00 0.00 C ATOM 165 CG PRO A 15 9.115 7.098 -3.657 1.00 0.00 C ATOM 166 CD PRO A 15 9.468 8.564 -3.467 1.00 0.00 C ATOM 0 HA PRO A 15 11.405 7.657 -5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.232 5.998 -5.518 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.702 5.939 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.042 6.980 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.379 6.524 -2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.575 9.189 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.979 8.729 -2.518 1.00 0.00 H new ATOM 174 N ASP A 16 10.091 7.770 -7.977 1.00 0.00 N ATOM 175 CA ASP A 16 9.419 8.038 -9.237 1.00 0.00 C ATOM 176 C ASP A 16 8.971 6.716 -9.862 1.00 0.00 C ATOM 177 O ASP A 16 9.173 6.488 -11.054 1.00 0.00 O ATOM 178 CB ASP A 16 10.358 8.734 -10.225 1.00 0.00 C ATOM 179 CG ASP A 16 10.672 10.195 -9.899 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.789 11.038 -10.166 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.788 10.436 -9.391 1.00 0.00 O ATOM 0 H ASP A 16 10.967 7.255 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 16 8.566 8.685 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.294 8.177 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.914 8.687 -11.220 1.00 0.00 H new ATOM 186 N GLY A 17 8.370 5.878 -9.030 1.00 0.00 N ATOM 187 CA GLY A 17 7.891 4.585 -9.486 1.00 0.00 C ATOM 188 C GLY A 17 7.192 3.828 -8.354 1.00 0.00 C ATOM 189 O GLY A 17 7.642 3.862 -7.210 1.00 0.00 O ATOM 0 H GLY A 17 8.204 6.070 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.200 4.722 -10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.727 3.995 -9.861 1.00 0.00 H new ATOM 193 N PRO A 18 6.075 3.146 -8.723 1.00 0.00 N ATOM 194 CA PRO A 18 5.309 2.383 -7.752 1.00 0.00 C ATOM 195 C PRO A 18 6.026 1.081 -7.390 1.00 0.00 C ATOM 196 O PRO A 18 7.038 0.735 -7.998 1.00 0.00 O ATOM 197 CB PRO A 18 3.958 2.154 -8.409 1.00 0.00 C ATOM 198 CG PRO A 18 4.171 2.391 -9.895 1.00 0.00 C ATOM 199 CD PRO A 18 5.512 3.084 -10.069 1.00 0.00 C ATOM 0 HA PRO A 18 5.192 2.907 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.600 1.142 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.208 2.836 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.156 1.446 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.368 3.005 -10.302 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.161 2.527 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.391 4.080 -10.494 1.00 0.00 H new ATOM 207 N PRO A 19 5.459 0.376 -6.375 1.00 0.00 N ATOM 208 CA PRO A 19 6.033 -0.881 -5.924 1.00 0.00 C ATOM 209 C PRO A 19 5.737 -2.006 -6.918 1.00 0.00 C ATOM 210 O PRO A 19 4.797 -1.912 -7.706 1.00 0.00 O ATOM 211 CB PRO A 19 5.423 -1.123 -4.553 1.00 0.00 C ATOM 212 CG PRO A 19 4.187 -0.241 -4.486 1.00 0.00 C ATOM 213 CD PRO A 19 4.261 0.755 -5.632 1.00 0.00 C ATOM 0 HA PRO A 19 7.121 -0.848 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.161 -2.173 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.128 -0.869 -3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.283 -0.845 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.142 0.280 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.372 0.702 -6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.331 1.778 -5.263 1.00 0.00 H new ATOM 221 N MET A 20 6.556 -3.045 -6.848 1.00 0.00 N ATOM 222 CA MET A 20 6.394 -4.187 -7.731 1.00 0.00 C ATOM 223 C MET A 20 5.726 -5.354 -7.001 1.00 0.00 C ATOM 224 O MET A 20 5.524 -5.299 -5.789 1.00 0.00 O ATOM 225 CB MET A 20 7.763 -4.628 -8.252 1.00 0.00 C ATOM 226 CG MET A 20 8.582 -3.426 -8.727 1.00 0.00 C ATOM 227 SD MET A 20 7.646 -2.480 -9.916 1.00 0.00 S ATOM 228 CE MET A 20 8.041 -3.379 -11.407 1.00 0.00 C ATOM 0 H MET A 20 7.334 -3.120 -6.193 1.00 0.00 H new ATOM 0 HA MET A 20 5.756 -3.891 -8.564 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.304 -5.153 -7.465 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.634 -5.332 -9.074 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.846 -2.797 -7.877 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.516 -3.766 -9.175 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.700 -2.813 -12.274 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.120 -3.524 -11.470 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.545 -4.349 -11.389 1.00 0.00 H new ATOM 238 N ASP A 21 5.400 -6.382 -7.770 1.00 0.00 N ATOM 239 CA ASP A 21 4.758 -7.561 -7.212 1.00 0.00 C ATOM 240 C ASP A 21 3.515 -7.136 -6.428 1.00 0.00 C ATOM 241 O ASP A 21 3.037 -7.873 -5.567 1.00 0.00 O ATOM 242 CB ASP A 21 5.695 -8.295 -6.251 1.00 0.00 C ATOM 243 CG ASP A 21 5.198 -9.664 -5.784 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.108 -10.062 -6.249 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.920 -10.283 -4.972 1.00 0.00 O ATOM 0 H ASP A 21 5.568 -6.424 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 21 4.495 -8.224 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.662 -8.423 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.859 -7.666 -5.376 1.00 0.00 H new ATOM 250 N VAL A 22 3.026 -5.948 -6.755 1.00 0.00 N ATOM 251 CA VAL A 22 1.847 -5.416 -6.092 1.00 0.00 C ATOM 252 C VAL A 22 0.636 -6.284 -6.441 1.00 0.00 C ATOM 253 O VAL A 22 0.125 -6.223 -7.558 1.00 0.00 O ATOM 254 CB VAL A 22 1.656 -3.945 -6.465 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.390 -3.376 -5.821 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.885 -3.118 -6.084 1.00 0.00 C ATOM 0 H VAL A 22 3.425 -5.339 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 22 1.970 -5.449 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 22 1.536 -3.887 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.278 -2.329 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.478 -3.939 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.467 -3.454 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.722 -2.076 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.051 -3.187 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.759 -3.501 -6.611 1.00 0.00 H new ATOM 266 N THR A 23 0.212 -7.072 -5.464 1.00 0.00 N ATOM 267 CA THR A 23 -0.929 -7.951 -5.653 1.00 0.00 C ATOM 268 C THR A 23 -1.658 -8.173 -4.326 1.00 0.00 C ATOM 269 O THR A 23 -1.058 -8.059 -3.258 1.00 0.00 O ATOM 270 CB THR A 23 -0.427 -9.246 -6.295 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.582 -9.790 -6.928 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.039 -10.301 -5.258 1.00 0.00 C ATOM 0 H THR A 23 0.639 -7.120 -4.539 1.00 0.00 H new ATOM 0 HA THR A 23 -1.666 -7.504 -6.321 1.00 0.00 H new ATOM 0 HB THR A 23 0.432 -9.027 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.346 -10.632 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.310 -11.200 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.756 -9.911 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.907 -10.545 -4.645 1.00 0.00 H new ATOM 280 N LEU A 24 -2.940 -8.487 -4.437 1.00 0.00 N ATOM 281 CA LEU A 24 -3.757 -8.726 -3.260 1.00 0.00 C ATOM 282 C LEU A 24 -4.041 -10.225 -3.137 1.00 0.00 C ATOM 283 O LEU A 24 -3.834 -10.979 -4.087 1.00 0.00 O ATOM 284 CB LEU A 24 -5.018 -7.862 -3.298 1.00 0.00 C ATOM 285 CG LEU A 24 -4.799 -6.364 -3.521 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.119 -5.657 -3.835 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.079 -5.731 -2.328 1.00 0.00 C ATOM 0 H LEU A 24 -3.433 -8.581 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.222 -8.428 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.667 -8.236 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.554 -7.995 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.153 -6.239 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.935 -4.594 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.555 -6.084 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.809 -5.789 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.936 -4.666 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.679 -5.866 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.109 -6.209 -2.193 1.00 0.00 H new ATOM 299 N GLN A 25 -4.512 -10.611 -1.961 1.00 0.00 N ATOM 300 CA GLN A 25 -4.827 -12.006 -1.702 1.00 0.00 C ATOM 301 C GLN A 25 -5.686 -12.131 -0.443 1.00 0.00 C ATOM 302 O GLN A 25 -5.252 -11.765 0.649 1.00 0.00 O ATOM 303 CB GLN A 25 -3.552 -12.843 -1.581 1.00 0.00 C ATOM 304 CG GLN A 25 -3.739 -14.222 -2.217 1.00 0.00 C ATOM 305 CD GLN A 25 -2.512 -14.617 -3.041 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.478 -14.485 -4.253 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.510 -15.109 -2.317 1.00 0.00 N ATOM 0 H GLN A 25 -4.683 -9.982 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.397 -12.392 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.725 -12.324 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.285 -12.956 -0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.913 -14.965 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.623 -14.215 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.605 -15.192 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.647 -15.403 -2.774 1.00 0.00 H new ATOM 316 N PRO A 26 -6.922 -12.663 -0.640 1.00 0.00 N ATOM 317 CA PRO A 26 -7.847 -12.841 0.466 1.00 0.00 C ATOM 318 C PRO A 26 -7.436 -14.030 1.338 1.00 0.00 C ATOM 319 O PRO A 26 -7.574 -15.182 0.928 1.00 0.00 O ATOM 320 CB PRO A 26 -9.208 -13.024 -0.184 1.00 0.00 C ATOM 321 CG PRO A 26 -8.933 -13.405 -1.629 1.00 0.00 C ATOM 322 CD PRO A 26 -7.470 -13.108 -1.919 1.00 0.00 C ATOM 0 HA PRO A 26 -7.857 -11.990 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.781 -13.801 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.794 -12.107 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.148 -14.461 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.578 -12.840 -2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.951 -13.994 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.366 -12.338 -2.684 1.00 0.00 H new ATOM 330 N VAL A 27 -6.939 -13.710 2.523 1.00 0.00 N ATOM 331 CA VAL A 27 -6.508 -14.738 3.456 1.00 0.00 C ATOM 332 C VAL A 27 -7.663 -15.084 4.397 1.00 0.00 C ATOM 333 O VAL A 27 -7.810 -16.234 4.808 1.00 0.00 O ATOM 334 CB VAL A 27 -5.250 -14.277 4.197 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.012 -14.405 3.307 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.410 -12.845 4.711 1.00 0.00 C ATOM 0 H VAL A 27 -6.825 -12.754 2.859 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.240 -15.650 2.923 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.112 -14.929 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.132 -14.071 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.882 -15.446 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.139 -13.789 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.502 -12.542 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.586 -12.174 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.256 -12.797 5.396 1.00 0.00 H new ATOM 346 N THR A 28 -8.453 -14.067 4.712 1.00 0.00 N ATOM 347 CA THR A 28 -9.590 -14.249 5.597 1.00 0.00 C ATOM 348 C THR A 28 -10.889 -13.872 4.882 1.00 0.00 C ATOM 349 O THR A 28 -10.969 -13.940 3.656 1.00 0.00 O ATOM 350 CB THR A 28 -9.337 -13.434 6.867 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.594 -12.089 6.472 1.00 0.00 O ATOM 352 CG2 THR A 28 -7.862 -13.428 7.274 1.00 0.00 C ATOM 0 H THR A 28 -8.327 -13.114 4.370 1.00 0.00 H new ATOM 0 HA THR A 28 -9.705 -15.295 5.882 1.00 0.00 H new ATOM 0 HB THR A 28 -9.937 -13.837 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.879 -11.568 7.251 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.737 -12.836 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.532 -14.450 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.265 -12.994 6.472 1.00 0.00 H new ATOM 360 N SER A 29 -11.874 -13.482 5.677 1.00 0.00 N ATOM 361 CA SER A 29 -13.165 -13.093 5.135 1.00 0.00 C ATOM 362 C SER A 29 -13.387 -11.593 5.337 1.00 0.00 C ATOM 363 O SER A 29 -14.307 -11.015 4.761 1.00 0.00 O ATOM 364 CB SER A 29 -14.298 -13.889 5.787 1.00 0.00 C ATOM 365 OG SER A 29 -14.123 -14.011 7.196 1.00 0.00 O ATOM 0 H SER A 29 -11.804 -13.427 6.693 1.00 0.00 H new ATOM 0 HA SER A 29 -13.168 -13.314 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.250 -13.400 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.347 -14.882 5.340 1.00 0.00 H new ATOM 0 HG SER A 29 -14.867 -14.524 7.575 1.00 0.00 H new ATOM 371 N GLN A 30 -12.527 -11.005 6.155 1.00 0.00 N ATOM 372 CA GLN A 30 -12.617 -9.583 6.439 1.00 0.00 C ATOM 373 C GLN A 30 -11.230 -8.940 6.382 1.00 0.00 C ATOM 374 O GLN A 30 -11.026 -7.847 6.906 1.00 0.00 O ATOM 375 CB GLN A 30 -13.280 -9.336 7.796 1.00 0.00 C ATOM 376 CG GLN A 30 -14.686 -9.939 7.838 1.00 0.00 C ATOM 377 CD GLN A 30 -14.926 -10.678 9.155 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.433 -10.304 10.206 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.711 -11.746 9.041 1.00 0.00 N ATOM 0 H GLN A 30 -11.764 -11.487 6.630 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.242 -9.120 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.670 -9.772 8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.334 -8.265 7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.428 -9.149 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.816 -10.626 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.091 -12.004 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.932 -12.306 9.864 1.00 0.00 H new ATOM 388 N SER A 31 -10.312 -9.648 5.741 1.00 0.00 N ATOM 389 CA SER A 31 -8.949 -9.161 5.608 1.00 0.00 C ATOM 390 C SER A 31 -8.356 -9.622 4.275 1.00 0.00 C ATOM 391 O SER A 31 -8.911 -10.498 3.615 1.00 0.00 O ATOM 392 CB SER A 31 -8.077 -9.639 6.771 1.00 0.00 C ATOM 393 OG SER A 31 -6.881 -8.874 6.890 1.00 0.00 O ATOM 0 H SER A 31 -10.485 -10.555 5.308 1.00 0.00 H new ATOM 0 HA SER A 31 -8.972 -8.071 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.643 -9.573 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.823 -10.689 6.626 1.00 0.00 H new ATOM 0 HG SER A 31 -6.877 -8.405 7.751 1.00 0.00 H new ATOM 399 N ILE A 32 -7.235 -9.012 3.920 1.00 0.00 N ATOM 400 CA ILE A 32 -6.560 -9.349 2.678 1.00 0.00 C ATOM 401 C ILE A 32 -5.051 -9.178 2.860 1.00 0.00 C ATOM 402 O ILE A 32 -4.607 -8.314 3.615 1.00 0.00 O ATOM 403 CB ILE A 32 -7.136 -8.535 1.518 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.635 -8.795 1.356 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.365 -8.804 0.224 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.216 -7.961 0.213 1.00 0.00 C ATOM 0 H ILE A 32 -6.777 -8.286 4.471 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.734 -10.394 2.421 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.016 -7.477 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.805 -9.854 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.152 -8.555 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.795 -8.213 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.319 -8.528 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.431 -9.863 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.283 -8.165 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.066 -6.902 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.714 -8.221 -0.719 1.00 0.00 H new ATOM 418 N GLN A 33 -4.303 -10.015 2.156 1.00 0.00 N ATOM 419 CA GLN A 33 -2.853 -9.967 2.230 1.00 0.00 C ATOM 420 C GLN A 33 -2.283 -9.234 1.014 1.00 0.00 C ATOM 421 O GLN A 33 -2.337 -9.743 -0.104 1.00 0.00 O ATOM 422 CB GLN A 33 -2.263 -11.374 2.348 1.00 0.00 C ATOM 423 CG GLN A 33 -0.736 -11.336 2.269 1.00 0.00 C ATOM 424 CD GLN A 33 -0.110 -12.254 3.322 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.761 -12.723 4.240 1.00 0.00 O ATOM 426 NE2 GLN A 33 1.188 -12.482 3.137 1.00 0.00 N ATOM 0 H GLN A 33 -4.674 -10.731 1.531 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.573 -9.415 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.571 -11.823 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.656 -12.005 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.412 -11.643 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.386 -10.315 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.673 -12.057 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.698 -13.082 3.786 1.00 0.00 H new ATOM 435 N VAL A 34 -1.750 -8.049 1.274 1.00 0.00 N ATOM 436 CA VAL A 34 -1.170 -7.241 0.215 1.00 0.00 C ATOM 437 C VAL A 34 0.350 -7.414 0.220 1.00 0.00 C ATOM 438 O VAL A 34 1.031 -6.926 1.121 1.00 0.00 O ATOM 439 CB VAL A 34 -1.606 -5.782 0.372 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.008 -4.909 -0.733 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.131 -5.666 0.397 1.00 0.00 C ATOM 0 H VAL A 34 -1.708 -7.629 2.203 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.531 -7.572 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.226 -5.420 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.333 -3.878 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.080 -4.955 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.344 -5.271 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.415 -4.620 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.541 -6.055 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.526 -6.241 1.235 1.00 0.00 H new ATOM 451 N THR A 35 0.838 -8.110 -0.796 1.00 0.00 N ATOM 452 CA THR A 35 2.265 -8.354 -0.920 1.00 0.00 C ATOM 453 C THR A 35 2.823 -7.640 -2.153 1.00 0.00 C ATOM 454 O THR A 35 2.191 -7.631 -3.208 1.00 0.00 O ATOM 455 CB THR A 35 2.485 -9.868 -0.942 1.00 0.00 C ATOM 456 OG1 THR A 35 1.366 -10.371 -1.666 1.00 0.00 O ATOM 457 CG2 THR A 35 2.348 -10.500 0.444 1.00 0.00 C ATOM 0 H THR A 35 0.270 -8.513 -1.541 1.00 0.00 H new ATOM 0 HA THR A 35 2.812 -7.944 -0.071 1.00 0.00 H new ATOM 0 HB THR A 35 3.475 -10.085 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.429 -11.347 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.513 -11.575 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.086 -10.064 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.347 -10.312 0.832 1.00 0.00 H new ATOM 465 N TRP A 36 4.000 -7.059 -1.978 1.00 0.00 N ATOM 466 CA TRP A 36 4.651 -6.344 -3.063 1.00 0.00 C ATOM 467 C TRP A 36 6.163 -6.493 -2.888 1.00 0.00 C ATOM 468 O TRP A 36 6.621 -7.181 -1.977 1.00 0.00 O ATOM 469 CB TRP A 36 4.195 -4.885 -3.109 1.00 0.00 C ATOM 470 CG TRP A 36 4.619 -4.061 -1.891 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.832 -3.564 -1.614 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.777 -3.658 -0.791 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.834 -2.872 -0.420 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.545 -2.931 0.096 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.413 -3.899 -0.553 1.00 0.00 C ATOM 476 CZ2 TRP A 36 4.036 -2.385 1.281 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.920 -3.347 0.636 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.679 -2.613 1.539 1.00 0.00 C ATOM 0 H TRP A 36 4.520 -7.068 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 36 4.370 -6.767 -4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.596 -4.418 -4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.109 -4.857 -3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.699 -3.689 -2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.634 -2.404 0.005 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.794 -4.465 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.657 -1.819 1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.877 -3.503 0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.224 -2.220 2.436 1.00 0.00 H new ATOM 489 N LYS A 37 6.897 -5.836 -3.774 1.00 0.00 N ATOM 490 CA LYS A 37 8.348 -5.887 -3.729 1.00 0.00 C ATOM 491 C LYS A 37 8.911 -4.482 -3.959 1.00 0.00 C ATOM 492 O LYS A 37 8.210 -3.603 -4.458 1.00 0.00 O ATOM 493 CB LYS A 37 8.879 -6.931 -4.713 1.00 0.00 C ATOM 494 CG LYS A 37 8.769 -8.341 -4.130 1.00 0.00 C ATOM 495 CD LYS A 37 9.651 -9.324 -4.902 1.00 0.00 C ATOM 496 CE LYS A 37 11.067 -9.361 -4.324 1.00 0.00 C ATOM 497 NZ LYS A 37 12.070 -9.383 -5.412 1.00 0.00 N ATOM 0 H LYS A 37 6.514 -5.265 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 37 8.687 -6.210 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.318 -6.875 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.920 -6.713 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.064 -8.329 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.731 -8.673 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.212 -10.321 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.691 -9.035 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.230 -8.490 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.186 -10.242 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.026 -9.408 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.924 -10.227 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.966 -8.529 -5.997 1.00 0.00 H new ATOM 511 N ALA A 38 10.170 -4.315 -3.583 1.00 0.00 N ATOM 512 CA ALA A 38 10.835 -3.033 -3.742 1.00 0.00 C ATOM 513 C ALA A 38 10.597 -2.513 -5.161 1.00 0.00 C ATOM 514 O ALA A 38 10.594 -3.286 -6.117 1.00 0.00 O ATOM 515 CB ALA A 38 12.322 -3.185 -3.418 1.00 0.00 C ATOM 0 H ALA A 38 10.748 -5.046 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 38 10.424 -2.299 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.821 -2.223 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.437 -3.528 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.770 -3.912 -4.096 1.00 0.00 H new ATOM 521 N PRO A 39 10.399 -1.171 -5.256 1.00 0.00 N ATOM 522 CA PRO A 39 10.161 -0.538 -6.542 1.00 0.00 C ATOM 523 C PRO A 39 11.455 -0.439 -7.352 1.00 0.00 C ATOM 524 O PRO A 39 12.543 -0.655 -6.820 1.00 0.00 O ATOM 525 CB PRO A 39 9.564 0.819 -6.209 1.00 0.00 C ATOM 526 CG PRO A 39 9.918 1.085 -4.755 1.00 0.00 C ATOM 527 CD PRO A 39 10.396 -0.223 -4.145 1.00 0.00 C ATOM 0 HA PRO A 39 9.483 -1.112 -7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.971 1.594 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.484 0.816 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.695 1.846 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.051 1.464 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.391 -0.118 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.733 -0.553 -3.345 1.00 0.00 H new ATOM 535 N LYS A 40 11.295 -0.112 -8.626 1.00 0.00 N ATOM 536 CA LYS A 40 12.437 0.019 -9.515 1.00 0.00 C ATOM 537 C LYS A 40 13.600 0.658 -8.753 1.00 0.00 C ATOM 538 O LYS A 40 13.399 1.581 -7.966 1.00 0.00 O ATOM 539 CB LYS A 40 12.044 0.776 -10.785 1.00 0.00 C ATOM 540 CG LYS A 40 11.825 -0.188 -11.952 1.00 0.00 C ATOM 541 CD LYS A 40 10.336 -0.478 -12.152 1.00 0.00 C ATOM 542 CE LYS A 40 9.995 -0.589 -13.640 1.00 0.00 C ATOM 543 NZ LYS A 40 10.579 -1.821 -14.215 1.00 0.00 N ATOM 0 H LYS A 40 10.391 0.066 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 40 12.774 -0.962 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.133 1.347 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.824 1.492 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.242 0.239 -12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.358 -1.120 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.071 -1.405 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.743 0.315 -11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.913 -0.597 -13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.375 0.283 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.338 -1.881 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.613 -1.798 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.197 -2.651 -13.718 1.00 0.00 H new ATOM 557 N LYS A 41 14.792 0.140 -9.013 1.00 0.00 N ATOM 558 CA LYS A 41 15.987 0.649 -8.362 1.00 0.00 C ATOM 559 C LYS A 41 16.261 2.073 -8.848 1.00 0.00 C ATOM 560 O LYS A 41 16.434 2.986 -8.042 1.00 0.00 O ATOM 561 CB LYS A 41 17.161 -0.310 -8.574 1.00 0.00 C ATOM 562 CG LYS A 41 18.495 0.387 -8.295 1.00 0.00 C ATOM 563 CD LYS A 41 18.750 0.501 -6.790 1.00 0.00 C ATOM 564 CE LYS A 41 19.536 -0.706 -6.275 1.00 0.00 C ATOM 565 NZ LYS A 41 20.983 -0.397 -6.219 1.00 0.00 N ATOM 0 H LYS A 41 14.955 -0.627 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 41 15.840 0.704 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.053 -1.173 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.149 -0.685 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.306 -0.171 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.491 1.381 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.303 1.416 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.800 0.574 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.179 -0.984 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.366 -1.563 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.502 -1.227 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.323 -0.154 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.142 0.407 -5.579 1.00 0.00 H new ATOM 579 N GLU A 42 16.292 2.219 -10.165 1.00 0.00 N ATOM 580 CA GLU A 42 16.542 3.517 -10.768 1.00 0.00 C ATOM 581 C GLU A 42 15.405 4.485 -10.435 1.00 0.00 C ATOM 582 O GLU A 42 15.529 5.691 -10.646 1.00 0.00 O ATOM 583 CB GLU A 42 16.730 3.392 -12.281 1.00 0.00 C ATOM 584 CG GLU A 42 15.467 2.841 -12.947 1.00 0.00 C ATOM 585 CD GLU A 42 15.719 2.522 -14.422 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.300 3.396 -15.100 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.326 1.411 -14.837 1.00 0.00 O ATOM 0 H GLU A 42 16.148 1.460 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 42 17.467 3.917 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.972 4.368 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.573 2.735 -12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.141 1.940 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.660 3.568 -12.861 1.00 0.00 H new ATOM 594 N LEU A 43 14.322 3.921 -9.921 1.00 0.00 N ATOM 595 CA LEU A 43 13.163 4.719 -9.557 1.00 0.00 C ATOM 596 C LEU A 43 13.115 4.875 -8.036 1.00 0.00 C ATOM 597 O LEU A 43 12.470 5.788 -7.522 1.00 0.00 O ATOM 598 CB LEU A 43 11.889 4.118 -10.154 1.00 0.00 C ATOM 599 CG LEU A 43 11.840 4.033 -11.681 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.550 3.359 -12.151 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.027 5.414 -12.313 1.00 0.00 C ATOM 0 H LEU A 43 14.222 2.921 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 43 13.243 5.721 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.760 3.114 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.038 4.709 -9.815 1.00 0.00 H new ATOM 0 HG LEU A 43 12.670 3.410 -12.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.540 3.311 -13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.497 2.350 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.692 3.935 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.988 5.326 -13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.233 6.080 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.993 5.822 -12.017 1.00 0.00 H new ATOM 613 N GLN A 44 13.805 3.970 -7.357 1.00 0.00 N ATOM 614 CA GLN A 44 13.849 3.996 -5.905 1.00 0.00 C ATOM 615 C GLN A 44 14.312 5.369 -5.413 1.00 0.00 C ATOM 616 O GLN A 44 13.845 5.852 -4.382 1.00 0.00 O ATOM 617 CB GLN A 44 14.752 2.886 -5.364 1.00 0.00 C ATOM 618 CG GLN A 44 13.923 1.713 -4.838 1.00 0.00 C ATOM 619 CD GLN A 44 14.788 0.755 -4.016 1.00 0.00 C ATOM 620 OE1 GLN A 44 14.997 0.930 -2.827 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.278 -0.266 -4.715 1.00 0.00 N ATOM 0 H GLN A 44 14.338 3.214 -7.786 1.00 0.00 H new ATOM 0 HA GLN A 44 12.843 3.817 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.420 2.539 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.380 3.280 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.105 2.088 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.474 1.177 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.064 -0.353 -5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.867 -0.961 -4.257 1.00 0.00 H new ATOM 630 N ASN A 45 15.224 5.958 -6.172 1.00 0.00 N ATOM 631 CA ASN A 45 15.755 7.265 -5.825 1.00 0.00 C ATOM 632 C ASN A 45 16.206 7.256 -4.363 1.00 0.00 C ATOM 633 O ASN A 45 15.998 8.229 -3.640 1.00 0.00 O ATOM 634 CB ASN A 45 14.691 8.352 -5.985 1.00 0.00 C ATOM 635 CG ASN A 45 14.638 8.860 -7.427 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.605 8.802 -8.169 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.458 9.360 -7.782 1.00 0.00 N ATOM 0 H ASN A 45 15.609 5.554 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 45 16.590 7.477 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.716 7.957 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.909 9.181 -5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.321 9.725 -8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.689 9.379 -7.112 1.00 0.00 H new ATOM 644 N GLY A 46 16.816 6.147 -3.972 1.00 0.00 N ATOM 645 CA GLY A 46 17.298 5.999 -2.609 1.00 0.00 C ATOM 646 C GLY A 46 16.460 4.976 -1.839 1.00 0.00 C ATOM 647 O GLY A 46 15.424 4.525 -2.325 1.00 0.00 O ATOM 0 H GLY A 46 16.988 5.342 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.342 5.685 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.261 6.962 -2.100 1.00 0.00 H new ATOM 651 N VAL A 47 16.940 4.640 -0.651 1.00 0.00 N ATOM 652 CA VAL A 47 16.248 3.679 0.191 1.00 0.00 C ATOM 653 C VAL A 47 14.797 4.126 0.381 1.00 0.00 C ATOM 654 O VAL A 47 14.382 5.149 -0.162 1.00 0.00 O ATOM 655 CB VAL A 47 16.998 3.507 1.514 1.00 0.00 C ATOM 656 CG1 VAL A 47 18.485 3.242 1.270 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.798 4.723 2.420 1.00 0.00 C ATOM 0 H VAL A 47 17.800 5.016 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 47 16.227 2.699 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 47 16.583 2.638 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 18.995 3.124 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 18.601 2.332 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 47 18.920 4.082 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.341 4.575 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 47 17.173 5.615 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.736 4.847 2.634 1.00 0.00 H new ATOM 667 N ILE A 48 14.064 3.337 1.154 1.00 0.00 N ATOM 668 CA ILE A 48 12.669 3.639 1.422 1.00 0.00 C ATOM 669 C ILE A 48 12.429 3.623 2.933 1.00 0.00 C ATOM 670 O ILE A 48 13.100 2.896 3.664 1.00 0.00 O ATOM 671 CB ILE A 48 11.756 2.688 0.645 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.271 2.476 -0.780 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.308 3.180 0.664 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.005 3.707 -1.648 1.00 0.00 C ATOM 0 H ILE A 48 14.411 2.489 1.603 1.00 0.00 H new ATOM 0 HA ILE A 48 12.422 4.641 1.070 1.00 0.00 H new ATOM 0 HB ILE A 48 11.772 1.718 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.341 2.267 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.786 1.605 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.681 2.486 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.957 3.237 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.253 4.168 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.381 3.530 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.933 3.898 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.512 4.571 -1.219 1.00 0.00 H new ATOM 686 N ARG A 49 11.471 4.435 3.356 1.00 0.00 N ATOM 687 CA ARG A 49 11.135 4.524 4.767 1.00 0.00 C ATOM 688 C ARG A 49 9.885 3.695 5.068 1.00 0.00 C ATOM 689 O ARG A 49 9.739 3.161 6.167 1.00 0.00 O ATOM 690 CB ARG A 49 10.889 5.975 5.184 1.00 0.00 C ATOM 691 CG ARG A 49 12.179 6.794 5.108 1.00 0.00 C ATOM 692 CD ARG A 49 12.755 7.040 6.504 1.00 0.00 C ATOM 693 NE ARG A 49 14.227 7.174 6.427 1.00 0.00 N ATOM 694 CZ ARG A 49 15.006 7.511 7.464 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.458 7.752 8.663 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.333 7.609 7.302 1.00 0.00 N ATOM 0 H ARG A 49 10.917 5.037 2.747 1.00 0.00 H new ATOM 0 HA ARG A 49 11.980 4.133 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.133 6.420 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.495 6.003 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.912 6.269 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.980 7.748 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.321 7.944 6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.491 6.216 7.166 1.00 0.00 H new ATOM 0 HE ARG A 49 14.677 6.999 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.448 7.679 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.051 8.008 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.750 7.427 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.926 7.866 8.092 1.00 0.00 H new ATOM 710 N GLY A 50 9.014 3.613 4.073 1.00 0.00 N ATOM 711 CA GLY A 50 7.781 2.858 4.217 1.00 0.00 C ATOM 712 C GLY A 50 6.879 3.041 2.995 1.00 0.00 C ATOM 713 O GLY A 50 7.211 3.796 2.082 1.00 0.00 O ATOM 0 H GLY A 50 9.138 4.057 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.011 1.801 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.254 3.183 5.114 1.00 0.00 H new ATOM 717 N TYR A 51 5.757 2.338 3.016 1.00 0.00 N ATOM 718 CA TYR A 51 4.805 2.414 1.921 1.00 0.00 C ATOM 719 C TYR A 51 3.380 2.605 2.445 1.00 0.00 C ATOM 720 O TYR A 51 3.055 2.161 3.545 1.00 0.00 O ATOM 721 CB TYR A 51 4.892 1.071 1.193 1.00 0.00 C ATOM 722 CG TYR A 51 6.245 0.809 0.530 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.381 0.687 1.304 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.330 0.694 -0.843 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.655 0.441 0.680 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.604 0.448 -1.467 1.00 0.00 C ATOM 727 CZ TYR A 51 8.704 0.333 -0.675 1.00 0.00 C ATOM 728 OH TYR A 51 9.907 0.100 -1.265 1.00 0.00 O ATOM 0 H TYR A 51 5.485 1.712 3.774 1.00 0.00 H new ATOM 0 HA TYR A 51 5.035 3.258 1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.686 0.270 1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.112 1.031 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.314 0.776 2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.441 0.789 -1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.552 0.344 1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.685 0.357 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 51 10.126 -0.853 -1.196 1.00 0.00 H new ATOM 738 N GLN A 52 2.569 3.268 1.633 1.00 0.00 N ATOM 739 CA GLN A 52 1.187 3.523 2.001 1.00 0.00 C ATOM 740 C GLN A 52 0.258 2.536 1.291 1.00 0.00 C ATOM 741 O GLN A 52 0.345 2.359 0.077 1.00 0.00 O ATOM 742 CB GLN A 52 0.795 4.968 1.687 1.00 0.00 C ATOM 743 CG GLN A 52 1.009 5.871 2.903 1.00 0.00 C ATOM 744 CD GLN A 52 0.411 7.260 2.667 1.00 0.00 C ATOM 745 OE1 GLN A 52 -0.253 7.518 1.677 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.684 8.137 3.629 1.00 0.00 N ATOM 0 H GLN A 52 2.843 3.636 0.722 1.00 0.00 H new ATOM 0 HA GLN A 52 1.084 3.378 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.387 5.335 0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.250 5.007 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.550 5.418 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.075 5.961 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.246 7.855 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.331 9.092 3.564 1.00 0.00 H new ATOM 755 N ILE A 53 -0.610 1.920 2.080 1.00 0.00 N ATOM 756 CA ILE A 53 -1.555 0.955 1.542 1.00 0.00 C ATOM 757 C ILE A 53 -2.962 1.554 1.573 1.00 0.00 C ATOM 758 O ILE A 53 -3.638 1.509 2.600 1.00 0.00 O ATOM 759 CB ILE A 53 -1.438 -0.379 2.283 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.025 -0.952 2.161 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.501 -1.368 1.800 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.935 -0.252 3.126 1.00 0.00 C ATOM 0 H ILE A 53 -0.679 2.070 3.087 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.324 0.736 0.499 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.622 -0.199 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.043 -2.021 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.332 -0.835 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.396 -2.308 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.493 -0.953 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.372 -1.548 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.933 -0.678 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.969 0.813 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.588 -0.392 4.150 1.00 0.00 H new ATOM 774 N GLY A 54 -3.363 2.102 0.435 1.00 0.00 N ATOM 775 CA GLY A 54 -4.678 2.709 0.319 1.00 0.00 C ATOM 776 C GLY A 54 -5.688 1.722 -0.268 1.00 0.00 C ATOM 777 O GLY A 54 -5.480 1.189 -1.357 1.00 0.00 O ATOM 0 H GLY A 54 -2.800 2.138 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.017 3.041 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.619 3.594 -0.314 1.00 0.00 H new ATOM 781 N TYR A 55 -6.761 1.508 0.479 1.00 0.00 N ATOM 782 CA TYR A 55 -7.804 0.594 0.046 1.00 0.00 C ATOM 783 C TYR A 55 -9.182 1.077 0.504 1.00 0.00 C ATOM 784 O TYR A 55 -9.318 1.632 1.594 1.00 0.00 O ATOM 785 CB TYR A 55 -7.497 -0.745 0.719 1.00 0.00 C ATOM 786 CG TYR A 55 -7.561 -0.703 2.247 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.512 -0.167 2.967 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.666 -1.200 2.906 1.00 0.00 C ATOM 789 CE1 TYR A 55 -6.571 -0.127 4.405 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.726 -1.160 4.344 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.675 -0.626 5.023 1.00 0.00 C ATOM 792 OH TYR A 55 -7.731 -0.588 6.381 1.00 0.00 O ATOM 0 H TYR A 55 -6.931 1.952 1.382 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.823 0.521 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.203 -1.492 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.502 -1.073 0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.647 0.222 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.487 -1.619 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.757 0.290 4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.586 -1.545 4.872 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.578 -0.977 6.685 1.00 0.00 H new ATOM 802 N ARG A 56 -10.168 0.850 -0.351 1.00 0.00 N ATOM 803 CA ARG A 56 -11.530 1.256 -0.048 1.00 0.00 C ATOM 804 C ARG A 56 -12.525 0.415 -0.850 1.00 0.00 C ATOM 805 O ARG A 56 -12.229 -0.006 -1.967 1.00 0.00 O ATOM 806 CB ARG A 56 -11.748 2.736 -0.370 1.00 0.00 C ATOM 807 CG ARG A 56 -11.201 3.082 -1.756 1.00 0.00 C ATOM 808 CD ARG A 56 -11.967 4.256 -2.370 1.00 0.00 C ATOM 809 NE ARG A 56 -12.979 3.755 -3.326 1.00 0.00 N ATOM 810 CZ ARG A 56 -14.019 4.477 -3.766 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.189 5.736 -3.339 1.00 0.00 N ATOM 812 NH2 ARG A 56 -14.887 3.941 -4.634 1.00 0.00 N ATOM 0 H ARG A 56 -10.051 0.390 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.693 1.100 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.812 2.968 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.256 3.352 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.143 3.333 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.277 2.212 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.452 4.835 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.275 4.927 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.879 2.801 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.527 6.145 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.980 6.286 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.757 2.983 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.678 4.490 -4.969 1.00 0.00 H new ATOM 826 N GLU A 57 -13.685 0.195 -0.248 1.00 0.00 N ATOM 827 CA GLU A 57 -14.725 -0.588 -0.893 1.00 0.00 C ATOM 828 C GLU A 57 -14.938 -0.109 -2.330 1.00 0.00 C ATOM 829 O GLU A 57 -14.758 1.071 -2.627 1.00 0.00 O ATOM 830 CB GLU A 57 -16.030 -0.527 -0.096 1.00 0.00 C ATOM 831 CG GLU A 57 -16.772 -1.864 -0.155 1.00 0.00 C ATOM 832 CD GLU A 57 -18.286 -1.654 -0.098 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.745 -1.106 0.927 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.950 -2.045 -1.082 1.00 0.00 O ATOM 0 H GLU A 57 -13.927 0.545 0.679 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.403 -1.629 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.815 -0.272 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.666 0.264 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.509 -2.390 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.457 -2.496 0.676 1.00 0.00 H new ATOM 936 N TYR A 66 -9.734 6.420 -0.010 1.00 0.00 N ATOM 937 CA TYR A 66 -8.903 5.242 0.175 1.00 0.00 C ATOM 938 C TYR A 66 -8.236 5.253 1.552 1.00 0.00 C ATOM 939 O TYR A 66 -7.423 6.129 1.845 1.00 0.00 O ATOM 940 CB TYR A 66 -7.821 5.316 -0.904 1.00 0.00 C ATOM 941 CG TYR A 66 -8.216 4.658 -2.227 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.861 5.396 -3.199 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.927 3.327 -2.449 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.233 4.777 -4.445 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.299 2.708 -3.695 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.933 3.463 -4.631 1.00 0.00 C ATOM 947 OH TYR A 66 -9.284 2.878 -5.808 1.00 0.00 O ATOM 0 HA TYR A 66 -9.502 4.334 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.578 6.362 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.915 4.839 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.087 6.438 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.422 2.750 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.738 5.343 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.079 1.667 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.651 3.144 -6.507 1.00 0.00 H new ATOM 957 N SER A 67 -8.603 4.270 2.360 1.00 0.00 N ATOM 958 CA SER A 67 -8.050 4.155 3.699 1.00 0.00 C ATOM 959 C SER A 67 -6.536 3.948 3.623 1.00 0.00 C ATOM 960 O SER A 67 -6.070 2.884 3.217 1.00 0.00 O ATOM 961 CB SER A 67 -8.705 3.006 4.469 1.00 0.00 C ATOM 962 OG SER A 67 -8.256 1.733 4.012 1.00 0.00 O ATOM 0 H SER A 67 -9.277 3.545 2.113 1.00 0.00 H new ATOM 0 HA SER A 67 -8.258 5.081 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.483 3.109 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.788 3.068 4.362 1.00 0.00 H new ATOM 0 HG SER A 67 -7.276 1.716 4.002 1.00 0.00 H new ATOM 968 N ILE A 68 -5.809 4.982 4.021 1.00 0.00 N ATOM 969 CA ILE A 68 -4.357 4.928 4.004 1.00 0.00 C ATOM 970 C ILE A 68 -3.857 4.350 5.329 1.00 0.00 C ATOM 971 O ILE A 68 -4.449 4.594 6.379 1.00 0.00 O ATOM 972 CB ILE A 68 -3.773 6.302 3.672 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.142 6.726 2.249 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.261 6.326 3.903 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.546 5.764 1.219 1.00 0.00 C ATOM 0 H ILE A 68 -6.199 5.863 4.357 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.010 4.262 3.214 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.214 7.033 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.227 6.752 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.779 7.736 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.871 7.314 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.049 6.100 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.784 5.581 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.823 6.088 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.460 5.759 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.930 4.759 1.395 1.00 0.00 H new ATOM 987 N VAL A 69 -2.772 3.596 5.238 1.00 0.00 N ATOM 988 CA VAL A 69 -2.185 2.982 6.417 1.00 0.00 C ATOM 989 C VAL A 69 -0.662 3.117 6.353 1.00 0.00 C ATOM 990 O VAL A 69 -0.026 2.581 5.447 1.00 0.00 O ATOM 991 CB VAL A 69 -2.652 1.530 6.538 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.899 1.427 7.418 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.903 0.918 5.158 1.00 0.00 C ATOM 0 H VAL A 69 -2.283 3.396 4.365 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.519 3.493 7.320 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.856 0.961 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.210 0.385 7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.673 1.806 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.704 2.017 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.234 -0.114 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.673 1.491 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.981 0.941 4.577 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.123 3.837 7.325 1.00 0.00 N ATOM 1004 CA GLU A 70 1.313 4.049 7.391 1.00 0.00 C ATOM 1005 C GLU A 70 2.002 2.831 8.009 1.00 0.00 C ATOM 1006 O GLU A 70 1.489 2.237 8.956 1.00 0.00 O ATOM 1007 CB GLU A 70 1.644 5.322 8.173 1.00 0.00 C ATOM 1008 CG GLU A 70 3.084 5.289 8.690 1.00 0.00 C ATOM 1009 CD GLU A 70 3.683 6.696 8.733 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.192 7.546 7.959 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.619 6.890 9.539 1.00 0.00 O ATOM 0 H GLU A 70 -0.655 4.281 8.074 1.00 0.00 H new ATOM 0 HA GLU A 70 1.688 4.178 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.503 6.193 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.955 5.428 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.106 4.850 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.691 4.651 8.047 1.00 0.00 H new ATOM 1018 N MET A 71 3.155 2.495 7.449 1.00 0.00 N ATOM 1019 CA MET A 71 3.919 1.358 7.933 1.00 0.00 C ATOM 1020 C MET A 71 5.421 1.591 7.756 1.00 0.00 C ATOM 1021 O MET A 71 5.839 2.661 7.315 1.00 0.00 O ATOM 1022 CB MET A 71 3.504 0.100 7.168 1.00 0.00 C ATOM 1023 CG MET A 71 3.890 0.203 5.692 1.00 0.00 C ATOM 1024 SD MET A 71 5.548 -0.414 5.449 1.00 0.00 S ATOM 1025 CE MET A 71 5.183 -2.074 4.904 1.00 0.00 C ATOM 0 H MET A 71 3.579 2.991 6.664 1.00 0.00 H new ATOM 0 HA MET A 71 3.712 1.232 8.996 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.981 -0.774 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.427 -0.045 7.257 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.188 -0.367 5.084 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.827 1.240 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.914 -2.764 5.325 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.184 -2.355 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.227 -2.118 3.816 1.00 0.00 H new ATOM 1035 N LYS A 72 6.192 0.573 8.108 1.00 0.00 N ATOM 1036 CA LYS A 72 7.638 0.654 7.993 1.00 0.00 C ATOM 1037 C LYS A 72 8.139 -0.487 7.105 1.00 0.00 C ATOM 1038 O LYS A 72 7.535 -1.558 7.064 1.00 0.00 O ATOM 1039 CB LYS A 72 8.284 0.683 9.380 1.00 0.00 C ATOM 1040 CG LYS A 72 8.115 -0.660 10.093 1.00 0.00 C ATOM 1041 CD LYS A 72 9.473 -1.253 10.473 1.00 0.00 C ATOM 1042 CE LYS A 72 9.302 -2.536 11.290 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.525 -2.818 12.075 1.00 0.00 N ATOM 0 H LYS A 72 5.842 -0.313 8.473 1.00 0.00 H new ATOM 0 HA LYS A 72 7.931 1.586 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.344 0.918 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.834 1.475 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.509 -0.526 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.579 -1.354 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.046 -1.466 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.044 -0.524 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.448 -2.436 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.089 -3.372 10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.392 -3.692 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.333 -2.934 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.711 -2.027 12.724 1.00 0.00 H new ATOM 1057 N ALA A 73 9.238 -0.218 6.416 1.00 0.00 N ATOM 1058 CA ALA A 73 9.828 -1.209 5.532 1.00 0.00 C ATOM 1059 C ALA A 73 10.581 -2.248 6.365 1.00 0.00 C ATOM 1060 O ALA A 73 11.379 -1.893 7.231 1.00 0.00 O ATOM 1061 CB ALA A 73 10.733 -0.511 4.514 1.00 0.00 C ATOM 0 H ALA A 73 9.735 0.672 6.452 1.00 0.00 H new ATOM 0 HA ALA A 73 9.053 -1.734 4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.176 -1.254 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.144 0.194 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.524 0.025 5.038 1.00 0.00 H new ATOM 1067 N THR A 74 10.299 -3.509 6.075 1.00 0.00 N ATOM 1068 CA THR A 74 10.940 -4.602 6.787 1.00 0.00 C ATOM 1069 C THR A 74 11.887 -5.362 5.857 1.00 0.00 C ATOM 1070 O THR A 74 12.140 -6.549 6.057 1.00 0.00 O ATOM 1071 CB THR A 74 9.842 -5.483 7.388 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.157 -6.005 6.254 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.777 -4.669 8.126 1.00 0.00 C ATOM 0 H THR A 74 9.635 -3.799 5.357 1.00 0.00 H new ATOM 0 HA THR A 74 11.563 -4.232 7.601 1.00 0.00 H new ATOM 0 HB THR A 74 10.288 -6.203 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.429 -6.589 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.022 -5.342 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.243 -4.112 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.306 -3.972 7.432 1.00 0.00 H new ATOM 1081 N GLY A 75 12.386 -4.647 4.860 1.00 0.00 N ATOM 1082 CA GLY A 75 13.300 -5.239 3.898 1.00 0.00 C ATOM 1083 C GLY A 75 12.930 -4.835 2.469 1.00 0.00 C ATOM 1084 O GLY A 75 12.254 -3.828 2.260 1.00 0.00 O ATOM 0 H GLY A 75 12.175 -3.662 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.320 -4.922 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.277 -6.325 3.990 1.00 0.00 H new ATOM 1088 N ASP A 76 13.389 -5.640 1.523 1.00 0.00 N ATOM 1089 CA ASP A 76 13.115 -5.379 0.120 1.00 0.00 C ATOM 1090 C ASP A 76 11.649 -5.702 -0.177 1.00 0.00 C ATOM 1091 O ASP A 76 11.050 -5.111 -1.074 1.00 0.00 O ATOM 1092 CB ASP A 76 13.985 -6.256 -0.784 1.00 0.00 C ATOM 1093 CG ASP A 76 15.451 -6.366 -0.360 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.987 -5.336 0.102 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.002 -7.478 -0.509 1.00 0.00 O ATOM 0 H ASP A 76 13.949 -6.474 1.700 1.00 0.00 H new ATOM 0 HA ASP A 76 13.334 -4.330 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.555 -7.257 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.944 -5.859 -1.798 1.00 0.00 H new ATOM 1100 N SER A 77 11.115 -6.638 0.592 1.00 0.00 N ATOM 1101 CA SER A 77 9.731 -7.047 0.423 1.00 0.00 C ATOM 1102 C SER A 77 8.907 -6.624 1.641 1.00 0.00 C ATOM 1103 O SER A 77 9.382 -6.702 2.773 1.00 0.00 O ATOM 1104 CB SER A 77 9.624 -8.558 0.209 1.00 0.00 C ATOM 1105 OG SER A 77 10.044 -9.290 1.357 1.00 0.00 O ATOM 0 H SER A 77 11.616 -7.126 1.335 1.00 0.00 H new ATOM 0 HA SER A 77 9.336 -6.553 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.593 -8.818 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.232 -8.847 -0.648 1.00 0.00 H new ATOM 0 HG SER A 77 9.959 -10.250 1.182 1.00 0.00 H new ATOM 1111 N GLU A 78 7.687 -6.185 1.367 1.00 0.00 N ATOM 1112 CA GLU A 78 6.794 -5.750 2.427 1.00 0.00 C ATOM 1113 C GLU A 78 5.387 -6.305 2.196 1.00 0.00 C ATOM 1114 O GLU A 78 5.003 -6.581 1.060 1.00 0.00 O ATOM 1115 CB GLU A 78 6.770 -4.223 2.532 1.00 0.00 C ATOM 1116 CG GLU A 78 8.175 -3.669 2.777 1.00 0.00 C ATOM 1117 CD GLU A 78 8.516 -2.573 1.766 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.571 -1.862 1.359 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.713 -2.470 1.422 1.00 0.00 O ATOM 0 H GLU A 78 7.297 -6.121 0.427 1.00 0.00 H new ATOM 0 HA GLU A 78 7.168 -6.141 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.362 -3.798 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.109 -3.921 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.241 -3.269 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.905 -4.475 2.705 1.00 0.00 H new ATOM 1126 N VAL A 79 4.656 -6.452 3.292 1.00 0.00 N ATOM 1127 CA VAL A 79 3.300 -6.970 3.223 1.00 0.00 C ATOM 1128 C VAL A 79 2.461 -6.339 4.336 1.00 0.00 C ATOM 1129 O VAL A 79 2.984 -6.001 5.397 1.00 0.00 O ATOM 1130 CB VAL A 79 3.320 -8.499 3.282 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.912 -8.988 4.605 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.919 -9.074 3.063 1.00 0.00 C ATOM 0 H VAL A 79 4.977 -6.221 4.232 1.00 0.00 H new ATOM 0 HA VAL A 79 2.836 -6.701 2.274 1.00 0.00 H new ATOM 0 HB VAL A 79 3.959 -8.858 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.915 -10.078 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.934 -8.621 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.310 -8.614 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.961 -10.162 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.248 -8.703 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.548 -8.767 2.085 1.00 0.00 H new ATOM 1142 N TYR A 80 1.174 -6.199 4.056 1.00 0.00 N ATOM 1143 CA TYR A 80 0.257 -5.614 5.020 1.00 0.00 C ATOM 1144 C TYR A 80 -1.120 -6.275 4.937 1.00 0.00 C ATOM 1145 O TYR A 80 -1.768 -6.239 3.892 1.00 0.00 O ATOM 1146 CB TYR A 80 0.126 -4.139 4.636 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.375 -3.243 5.771 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.599 -3.493 6.358 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.396 -2.185 6.207 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.071 -2.650 7.426 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -0.075 -1.342 7.275 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.286 -1.616 7.832 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.731 -0.820 8.840 1.00 0.00 O ATOM 0 H TYR A 80 0.744 -6.481 3.175 1.00 0.00 H new ATOM 0 HA TYR A 80 0.629 -5.750 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.097 -3.774 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.557 -4.053 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.203 -4.321 6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.353 -1.989 5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.027 -2.835 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.519 -0.511 7.626 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.066 -0.124 9.025 1.00 0.00 H new ATOM 1163 N THR A 81 -1.527 -6.863 6.052 1.00 0.00 N ATOM 1164 CA THR A 81 -2.816 -7.530 6.119 1.00 0.00 C ATOM 1165 C THR A 81 -3.920 -6.527 6.461 1.00 0.00 C ATOM 1166 O THR A 81 -4.168 -6.246 7.632 1.00 0.00 O ATOM 1167 CB THR A 81 -2.704 -8.676 7.127 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.871 -9.631 6.476 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.030 -9.412 7.328 1.00 0.00 C ATOM 0 H THR A 81 -0.987 -6.891 6.917 1.00 0.00 H new ATOM 0 HA THR A 81 -3.092 -7.953 5.153 1.00 0.00 H new ATOM 0 HB THR A 81 -2.359 -8.285 8.084 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.744 -10.407 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.894 -10.215 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.781 -8.714 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.360 -9.832 6.378 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.552 -6.014 5.416 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.623 -5.047 5.590 1.00 0.00 C ATOM 1179 C LEU A 82 -6.863 -5.759 6.135 1.00 0.00 C ATOM 1180 O LEU A 82 -7.532 -6.493 5.409 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.875 -4.285 4.287 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.667 -3.561 3.690 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.926 -3.173 2.233 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.274 -2.354 4.544 1.00 0.00 C ATOM 0 H LEU A 82 -4.343 -6.249 4.446 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.339 -4.292 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.255 -4.988 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.662 -3.552 4.464 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.820 -4.247 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.052 -2.660 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.120 -4.071 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.791 -2.511 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.413 -1.857 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.110 -1.656 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.019 -2.688 5.550 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.132 -5.518 7.410 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.280 -6.127 8.061 1.00 0.00 C ATOM 1198 C ASP A 83 -9.449 -5.140 8.052 1.00 0.00 C ATOM 1199 O ASP A 83 -9.344 -4.054 7.484 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.966 -6.476 9.517 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.038 -5.492 10.232 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.507 -4.367 10.507 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.880 -5.888 10.487 1.00 0.00 O ATOM 0 H ASP A 83 -6.575 -4.909 8.010 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.532 -7.038 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.903 -6.536 10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.513 -7.467 9.548 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.535 -5.554 8.688 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.723 -4.719 8.760 1.00 0.00 C ATOM 1210 C ASN A 84 -12.262 -4.483 7.348 1.00 0.00 C ATOM 1211 O ASN A 84 -12.253 -3.356 6.857 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.402 -3.357 9.378 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.618 -3.376 10.892 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.704 -3.633 11.387 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.528 -3.091 11.598 1.00 0.00 N ATOM 0 H ASN A 84 -10.618 -6.456 9.158 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.458 -5.232 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.369 -3.089 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.033 -2.591 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.569 -3.078 12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.650 -2.885 11.121 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.719 -5.566 6.735 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.261 -5.491 5.389 1.00 0.00 C ATOM 1224 C LEU A 85 -14.619 -6.194 5.351 1.00 0.00 C ATOM 1225 O LEU A 85 -15.058 -6.758 6.352 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.255 -6.039 4.375 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.791 -5.666 4.613 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.875 -6.372 3.612 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.601 -4.148 4.592 1.00 0.00 C ATOM 0 H LEU A 85 -12.725 -6.500 7.146 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.432 -4.453 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.335 -7.126 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.542 -5.689 3.383 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.508 -6.012 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.840 -6.089 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.982 -7.451 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.149 -6.079 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.551 -3.910 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.908 -3.756 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.208 -3.694 5.375 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.246 -6.139 4.185 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.545 -6.764 4.004 1.00 0.00 C ATOM 1243 C LYS A 86 -16.350 -8.209 3.541 1.00 0.00 C ATOM 1244 O LYS A 86 -15.238 -8.613 3.208 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.414 -5.929 3.061 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.758 -5.591 3.710 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.799 -5.219 2.653 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.016 -6.143 2.732 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.260 -5.353 2.869 1.00 0.00 N ATOM 0 H LYS A 86 -14.878 -5.671 3.356 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.085 -6.801 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.892 -5.009 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.581 -6.477 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.111 -6.444 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.631 -4.763 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.113 -4.185 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.353 -5.283 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.068 -6.762 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.912 -6.819 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -23.076 -5.996 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.214 -4.781 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.366 -4.726 2.046 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.450 -8.949 3.537 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.414 -10.340 3.122 1.00 0.00 C ATOM 1265 C LYS A 87 -17.887 -10.447 1.670 1.00 0.00 C ATOM 1266 O LYS A 87 -18.865 -9.809 1.284 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.213 -11.211 4.094 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.645 -11.112 5.511 1.00 0.00 C ATOM 1269 CD LYS A 87 -18.680 -11.551 6.549 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.412 -12.983 7.018 1.00 0.00 C ATOM 1271 NZ LYS A 87 -18.943 -13.188 8.385 1.00 0.00 N ATOM 0 H LYS A 87 -18.371 -8.610 3.815 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.393 -10.720 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.257 -10.898 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.191 -12.249 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.755 -11.735 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.336 -10.086 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.654 -10.874 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.680 -11.486 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.877 -13.690 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.340 -13.182 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.753 -14.164 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.480 -12.526 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.969 -13.018 8.388 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.170 -11.258 0.906 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.504 -11.457 -0.494 1.00 0.00 C ATOM 1287 C PHE A 88 -17.872 -10.131 -1.163 1.00 0.00 C ATOM 1288 O PHE A 88 -18.956 -9.998 -1.731 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.716 -12.390 -0.537 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.026 -12.944 -1.929 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.012 -13.334 -2.747 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.316 -13.046 -2.348 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.300 -13.848 -4.039 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.603 -13.561 -3.640 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.589 -13.951 -4.458 1.00 0.00 C ATOM 0 H PHE A 88 -16.359 -11.785 1.230 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.649 -11.876 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.544 -13.223 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.589 -11.852 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.988 -13.253 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.121 -12.736 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.495 -14.157 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.627 -13.643 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.808 -14.343 -5.440 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.950 -9.184 -1.074 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.164 -7.873 -1.664 1.00 0.00 C ATOM 1307 C ALA A 89 -15.888 -7.427 -2.380 1.00 0.00 C ATOM 1308 O ALA A 89 -14.785 -7.781 -1.969 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.597 -6.888 -0.576 1.00 0.00 C ATOM 0 H ALA A 89 -16.053 -9.298 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.962 -7.911 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.757 -5.905 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.523 -7.236 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.819 -6.821 0.185 1.00 0.00 H new ATOM 1315 N GLN A 90 -16.082 -6.656 -3.440 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.960 -6.157 -4.218 1.00 0.00 C ATOM 1317 C GLN A 90 -14.252 -5.029 -3.465 1.00 0.00 C ATOM 1318 O GLN A 90 -14.903 -4.138 -2.921 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.417 -5.691 -5.602 1.00 0.00 C ATOM 1320 CG GLN A 90 -14.267 -5.028 -6.363 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.770 -4.372 -7.652 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -15.820 -3.753 -7.695 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.963 -4.542 -8.695 1.00 0.00 N ATOM 0 H GLN A 90 -16.999 -6.365 -3.778 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.251 -6.972 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.792 -6.542 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.243 -4.988 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.792 -4.278 -5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.507 -5.772 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.098 -5.072 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.209 -4.142 -9.601 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.930 -5.104 -3.458 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.127 -4.100 -2.781 1.00 0.00 C ATOM 1334 C TYR A 91 -10.856 -3.788 -3.574 1.00 0.00 C ATOM 1335 O TYR A 91 -10.138 -4.698 -3.986 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.736 -4.711 -1.434 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.627 -4.273 -0.270 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.361 -3.095 0.397 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.697 -5.057 0.112 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.200 -2.683 1.493 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.536 -4.645 1.208 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.246 -3.478 1.844 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.038 -3.089 2.879 1.00 0.00 O ATOM 0 H TYR A 91 -12.394 -5.845 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.686 -3.171 -2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.771 -5.797 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.704 -4.441 -1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.524 -2.482 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.905 -5.979 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.003 -1.763 2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.376 -5.249 1.518 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.053 -2.110 2.930 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.617 -2.499 -3.764 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.445 -2.055 -4.501 1.00 0.00 C ATOM 1355 C GLY A 92 -8.415 -1.424 -3.563 1.00 0.00 C ATOM 1356 O GLY A 92 -8.759 -0.590 -2.727 1.00 0.00 O ATOM 0 H GLY A 92 -11.215 -1.747 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.997 -2.901 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.741 -1.332 -5.261 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.170 -1.847 -3.732 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.087 -1.333 -2.911 1.00 0.00 C ATOM 1362 C VAL A 93 -4.968 -0.814 -3.817 1.00 0.00 C ATOM 1363 O VAL A 93 -4.826 -1.263 -4.953 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.613 -2.413 -1.935 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -4.594 -1.846 -0.945 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -6.797 -3.047 -1.203 1.00 0.00 C ATOM 0 H VAL A 93 -6.888 -2.540 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.431 -0.494 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.119 -3.195 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.273 -2.633 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.731 -1.464 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.051 -1.037 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.433 -3.811 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.331 -2.280 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.471 -3.503 -1.928 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.204 0.125 -3.280 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.103 0.711 -4.025 1.00 0.00 C ATOM 1378 C VAL A 94 -1.912 0.919 -3.088 1.00 0.00 C ATOM 1379 O VAL A 94 -2.016 1.642 -2.097 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.560 2.002 -4.707 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.547 1.705 -5.838 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.165 2.973 -3.692 1.00 0.00 C ATOM 0 H VAL A 94 -4.326 0.495 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.778 0.038 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.683 2.479 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.856 2.640 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.068 1.068 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.421 1.195 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.482 3.882 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.026 2.508 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.419 3.222 -2.937 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.807 0.274 -3.433 1.00 0.00 N ATOM 1393 CA VAL A 95 0.402 0.380 -2.634 1.00 0.00 C ATOM 1394 C VAL A 95 1.339 1.409 -3.269 1.00 0.00 C ATOM 1395 O VAL A 95 1.385 1.541 -4.491 1.00 0.00 O ATOM 1396 CB VAL A 95 1.047 -0.999 -2.477 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.185 -0.958 -1.454 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.005 -2.052 -2.096 1.00 0.00 C ATOM 0 H VAL A 95 -0.724 -0.324 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 95 0.167 0.731 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 95 1.472 -1.282 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.627 -1.950 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.946 -0.252 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.794 -0.643 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.490 -3.022 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.463 -1.776 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.756 -2.109 -2.874 1.00 0.00 H new ATOM 1408 N GLN A 96 2.062 2.113 -2.411 1.00 0.00 N ATOM 1409 CA GLN A 96 2.995 3.126 -2.873 1.00 0.00 C ATOM 1410 C GLN A 96 4.163 3.259 -1.893 1.00 0.00 C ATOM 1411 O GLN A 96 3.976 3.154 -0.681 1.00 0.00 O ATOM 1412 CB GLN A 96 2.291 4.470 -3.071 1.00 0.00 C ATOM 1413 CG GLN A 96 1.153 4.647 -2.064 1.00 0.00 C ATOM 1414 CD GLN A 96 0.351 5.916 -2.360 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.857 5.891 -2.534 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.087 7.022 -2.408 1.00 0.00 N ATOM 0 H GLN A 96 2.020 2.002 -1.398 1.00 0.00 H new ATOM 0 HA GLN A 96 3.391 2.814 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.010 5.281 -2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.897 4.532 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.494 3.780 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.561 4.697 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.094 6.972 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.645 7.921 -2.600 1.00 0.00 H new ATOM 1425 N ALA A 97 5.341 3.488 -2.453 1.00 0.00 N ATOM 1426 CA ALA A 97 6.539 3.636 -1.644 1.00 0.00 C ATOM 1427 C ALA A 97 6.737 5.113 -1.300 1.00 0.00 C ATOM 1428 O ALA A 97 6.922 5.942 -2.190 1.00 0.00 O ATOM 1429 CB ALA A 97 7.736 3.045 -2.392 1.00 0.00 C ATOM 0 H ALA A 97 5.492 3.575 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 97 6.439 3.090 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.635 3.156 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.558 1.987 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.869 3.570 -3.338 1.00 0.00 H new ATOM 1435 N PHE A 98 6.693 5.398 -0.007 1.00 0.00 N ATOM 1436 CA PHE A 98 6.865 6.761 0.466 1.00 0.00 C ATOM 1437 C PHE A 98 8.142 6.895 1.298 1.00 0.00 C ATOM 1438 O PHE A 98 8.411 6.068 2.167 1.00 0.00 O ATOM 1439 CB PHE A 98 5.659 7.084 1.349 1.00 0.00 C ATOM 1440 CG PHE A 98 5.809 6.623 2.801 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.690 7.250 3.625 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.061 5.587 3.266 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.829 6.822 4.972 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.200 5.159 4.613 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.082 5.786 5.437 1.00 0.00 C ATOM 0 H PHE A 98 6.541 4.708 0.728 1.00 0.00 H new ATOM 0 HA PHE A 98 6.942 7.442 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.490 8.161 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.772 6.617 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.284 8.073 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.361 5.090 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.529 7.320 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.606 4.336 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.189 5.461 6.461 1.00 0.00 H new ATOM 1455 N ASN A 99 8.896 7.944 1.002 1.00 0.00 N ATOM 1456 CA ASN A 99 10.138 8.197 1.711 1.00 0.00 C ATOM 1457 C ASN A 99 10.099 9.604 2.313 1.00 0.00 C ATOM 1458 O ASN A 99 9.196 10.385 2.016 1.00 0.00 O ATOM 1459 CB ASN A 99 11.338 8.121 0.765 1.00 0.00 C ATOM 1460 CG ASN A 99 11.074 7.139 -0.378 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.386 6.143 -0.228 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.657 7.475 -1.525 1.00 0.00 N ATOM 0 H ASN A 99 8.670 8.628 0.280 1.00 0.00 H new ATOM 0 HA ASN A 99 10.243 7.440 2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.548 9.110 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.223 7.810 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.541 6.884 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.220 8.324 -1.581 1.00 0.00 H new ATOM 1469 N ARG A 100 11.089 9.884 3.147 1.00 0.00 N ATOM 1470 CA ARG A 100 11.180 11.182 3.793 1.00 0.00 C ATOM 1471 C ARG A 100 11.283 12.291 2.744 1.00 0.00 C ATOM 1472 O ARG A 100 10.903 13.432 3.002 1.00 0.00 O ATOM 1473 CB ARG A 100 12.394 11.253 4.721 1.00 0.00 C ATOM 1474 CG ARG A 100 12.218 10.327 5.926 1.00 0.00 C ATOM 1475 CD ARG A 100 11.930 11.130 7.196 1.00 0.00 C ATOM 1476 NE ARG A 100 12.926 10.801 8.240 1.00 0.00 N ATOM 1477 CZ ARG A 100 13.178 11.571 9.307 1.00 0.00 C ATOM 1478 NH1 ARG A 100 12.509 12.719 9.478 1.00 0.00 N ATOM 1479 NH2 ARG A 100 14.100 11.193 10.203 1.00 0.00 N ATOM 0 H ARG A 100 11.836 9.233 3.391 1.00 0.00 H new ATOM 0 HA ARG A 100 10.276 11.320 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.293 10.974 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.535 12.278 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.400 9.631 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.119 9.730 6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.961 12.197 6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.926 10.908 7.557 1.00 0.00 H new ATOM 0 HE ARG A 100 13.454 9.934 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.808 13.007 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.701 13.305 10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.610 10.319 10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.292 11.779 11.015 1.00 0.00 H new ATOM 1493 N ALA A 101 11.798 11.916 1.582 1.00 0.00 N ATOM 1494 CA ALA A 101 11.956 12.865 0.493 1.00 0.00 C ATOM 1495 C ALA A 101 10.584 13.181 -0.105 1.00 0.00 C ATOM 1496 O ALA A 101 10.397 14.230 -0.720 1.00 0.00 O ATOM 1497 CB ALA A 101 12.926 12.295 -0.544 1.00 0.00 C ATOM 0 H ALA A 101 12.111 10.968 1.371 1.00 0.00 H new ATOM 0 HA ALA A 101 12.381 13.800 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.045 13.007 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.894 12.115 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.531 11.357 -0.934 1.00 0.00 H new ATOM 1503 N GLY A 102 9.658 12.255 0.097 1.00 0.00 N ATOM 1504 CA GLY A 102 8.308 12.422 -0.415 1.00 0.00 C ATOM 1505 C GLY A 102 7.677 11.068 -0.747 1.00 0.00 C ATOM 1506 O GLY A 102 8.249 10.022 -0.446 1.00 0.00 O ATOM 0 H GLY A 102 9.816 11.387 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.697 12.941 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.328 13.047 -1.308 1.00 0.00 H new ATOM 1510 N THR A 103 6.505 11.133 -1.362 1.00 0.00 N ATOM 1511 CA THR A 103 5.789 9.926 -1.738 1.00 0.00 C ATOM 1512 C THR A 103 5.822 9.738 -3.256 1.00 0.00 C ATOM 1513 O THR A 103 5.852 10.712 -4.006 1.00 0.00 O ATOM 1514 CB THR A 103 4.373 10.019 -1.168 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.573 10.302 0.215 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.651 8.670 -1.171 1.00 0.00 C ATOM 0 H THR A 103 6.033 12.003 -1.609 1.00 0.00 H new ATOM 0 HA THR A 103 6.264 9.038 -1.321 1.00 0.00 H new ATOM 0 HB THR A 103 3.796 10.741 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.704 10.380 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.650 8.792 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.577 8.299 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.210 7.957 -0.565 1.00 0.00 H new ATOM 1524 N GLY A 104 5.814 8.477 -3.665 1.00 0.00 N ATOM 1525 CA GLY A 104 5.842 8.148 -5.080 1.00 0.00 C ATOM 1526 C GLY A 104 4.450 7.758 -5.579 1.00 0.00 C ATOM 1527 O GLY A 104 3.477 7.816 -4.828 1.00 0.00 O ATOM 0 H GLY A 104 5.789 7.671 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.210 9.002 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.538 7.327 -5.252 1.00 0.00 H new ATOM 1531 N PRO A 105 4.396 7.357 -6.878 1.00 0.00 N ATOM 1532 CA PRO A 105 3.139 6.957 -7.487 1.00 0.00 C ATOM 1533 C PRO A 105 2.715 5.568 -7.006 1.00 0.00 C ATOM 1534 O PRO A 105 3.555 4.761 -6.608 1.00 0.00 O ATOM 1535 CB PRO A 105 3.392 7.015 -8.985 1.00 0.00 C ATOM 1536 CG PRO A 105 4.902 6.994 -9.154 1.00 0.00 C ATOM 1537 CD PRO A 105 5.527 7.276 -7.798 1.00 0.00 C ATOM 0 HA PRO A 105 2.311 7.610 -7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.931 6.168 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.963 7.918 -9.419 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.230 6.026 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.215 7.743 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.217 6.484 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.095 8.206 -7.810 1.00 0.00 H new ATOM 1545 N SER A 106 1.412 5.331 -7.057 1.00 0.00 N ATOM 1546 CA SER A 106 0.866 4.054 -6.631 1.00 0.00 C ATOM 1547 C SER A 106 0.821 3.084 -7.814 1.00 0.00 C ATOM 1548 O SER A 106 0.973 3.494 -8.964 1.00 0.00 O ATOM 1549 CB SER A 106 -0.530 4.224 -6.031 1.00 0.00 C ATOM 1550 OG SER A 106 -0.495 4.294 -4.608 1.00 0.00 O ATOM 0 H SER A 106 0.719 6.002 -7.387 1.00 0.00 H new ATOM 0 HA SER A 106 1.516 3.645 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.987 5.131 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.160 3.389 -6.337 1.00 0.00 H new ATOM 0 HG SER A 106 -0.982 5.090 -4.308 1.00 0.00 H new ATOM 1556 N SER A 107 0.611 1.816 -7.490 1.00 0.00 N ATOM 1557 CA SER A 107 0.544 0.785 -8.512 1.00 0.00 C ATOM 1558 C SER A 107 -0.862 0.733 -9.111 1.00 0.00 C ATOM 1559 O SER A 107 -1.814 1.235 -8.515 1.00 0.00 O ATOM 1560 CB SER A 107 0.929 -0.582 -7.940 1.00 0.00 C ATOM 1561 OG SER A 107 0.365 -0.798 -6.650 1.00 0.00 O ATOM 0 H SER A 107 0.485 1.480 -6.535 1.00 0.00 H new ATOM 0 HA SER A 107 1.257 1.034 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.594 -1.366 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.015 -0.657 -7.878 1.00 0.00 H new ATOM 0 HG SER A 107 1.071 -0.751 -5.972 1.00 0.00 H new ATOM 1567 N SER A 108 -0.949 0.120 -10.283 1.00 0.00 N ATOM 1568 CA SER A 108 -2.224 -0.004 -10.970 1.00 0.00 C ATOM 1569 C SER A 108 -3.270 -0.603 -10.027 1.00 0.00 C ATOM 1570 O SER A 108 -3.110 -1.726 -9.550 1.00 0.00 O ATOM 1571 CB SER A 108 -2.090 -0.863 -12.228 1.00 0.00 C ATOM 1572 OG SER A 108 -0.740 -1.254 -12.467 1.00 0.00 O ATOM 0 H SER A 108 -0.158 -0.296 -10.774 1.00 0.00 H new ATOM 0 HA SER A 108 -2.547 0.991 -11.275 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.713 -1.752 -12.128 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.464 -0.307 -13.088 1.00 0.00 H new ATOM 0 HG SER A 108 -0.697 -1.802 -13.278 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.317 0.173 -9.787 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.389 -0.267 -8.910 1.00 0.00 C ATOM 1580 C GLU A 109 -5.713 -1.740 -9.167 1.00 0.00 C ATOM 1581 O GLU A 109 -6.042 -2.121 -10.289 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.632 0.607 -9.084 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.645 0.347 -7.967 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.896 1.208 -8.150 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.722 2.437 -8.301 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.998 0.619 -8.134 1.00 0.00 O ATOM 0 H GLU A 109 -4.446 1.103 -10.184 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.055 -0.164 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.345 1.659 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.092 0.404 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.922 -0.707 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.189 0.562 -7.001 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.610 -2.529 -8.107 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.889 -3.952 -8.204 1.00 0.00 C ATOM 1595 C ILE A 110 -7.176 -4.268 -7.440 1.00 0.00 C ATOM 1596 O ILE A 110 -7.872 -3.360 -6.987 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.681 -4.767 -7.738 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.867 -3.995 -6.698 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -3.824 -5.206 -8.927 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.626 -4.785 -6.276 1.00 0.00 C ATOM 0 H ILE A 110 -5.337 -2.210 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.056 -4.238 -9.242 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.046 -5.672 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.567 -3.031 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.487 -3.790 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.972 -5.783 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.422 -5.821 -9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.466 -4.326 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.065 -4.214 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.931 -5.738 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.997 -4.967 -7.147 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.454 -5.558 -7.320 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.645 -6.005 -6.618 1.00 0.00 C ATOM 1614 C ASN A 111 -8.386 -7.384 -6.009 1.00 0.00 C ATOM 1615 O ASN A 111 -7.343 -7.989 -6.255 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.834 -6.126 -7.574 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.483 -7.002 -8.778 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.170 -8.175 -8.655 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -9.551 -6.369 -9.946 1.00 0.00 N ATOM 0 H ASN A 111 -6.875 -6.308 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.876 -5.272 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.687 -6.552 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.133 -5.135 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.334 -6.867 -10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.820 -5.386 -9.978 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.352 -7.842 -5.227 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.241 -9.139 -4.581 1.00 0.00 C ATOM 1628 C ALA A 112 -10.508 -9.408 -3.767 1.00 0.00 C ATOM 1629 O ALA A 112 -10.505 -9.272 -2.544 1.00 0.00 O ATOM 1630 CB ALA A 112 -7.977 -9.174 -3.721 1.00 0.00 C ATOM 0 H ALA A 112 -10.216 -7.338 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.152 -9.932 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.894 -10.147 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.103 -9.006 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.032 -8.394 -2.962 1.00 0.00 H new ATOM 1636 N THR A 113 -11.561 -9.785 -4.477 1.00 0.00 N ATOM 1637 CA THR A 113 -12.832 -10.075 -3.836 1.00 0.00 C ATOM 1638 C THR A 113 -12.624 -10.993 -2.630 1.00 0.00 C ATOM 1639 O THR A 113 -12.252 -12.155 -2.787 1.00 0.00 O ATOM 1640 CB THR A 113 -13.771 -10.662 -4.891 1.00 0.00 C ATOM 1641 OG1 THR A 113 -13.732 -9.715 -5.956 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.234 -10.656 -4.442 1.00 0.00 C ATOM 0 H THR A 113 -11.560 -9.896 -5.491 1.00 0.00 H new ATOM 0 HA THR A 113 -13.291 -9.169 -3.440 1.00 0.00 H new ATOM 0 HB THR A 113 -13.466 -11.683 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.313 -10.018 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 113 -15.857 -11.083 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.338 -11.249 -3.533 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.550 -9.632 -4.245 1.00 0.00 H new ATOM 1650 N THR A 114 -12.873 -10.438 -1.453 1.00 0.00 N ATOM 1651 CA THR A 114 -12.718 -11.192 -0.221 1.00 0.00 C ATOM 1652 C THR A 114 -13.409 -12.552 -0.338 1.00 0.00 C ATOM 1653 O THR A 114 -14.419 -12.682 -1.028 1.00 0.00 O ATOM 1654 CB THR A 114 -13.252 -10.336 0.928 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.394 -9.687 0.376 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.309 -9.187 1.290 1.00 0.00 C ATOM 0 H THR A 114 -13.181 -9.474 -1.327 1.00 0.00 H new ATOM 0 HA THR A 114 -11.669 -11.411 -0.021 1.00 0.00 H new ATOM 0 HB THR A 114 -13.411 -10.964 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.898 -9.246 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.736 -8.611 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.343 -9.591 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.175 -8.539 0.424 1.00 0.00 H new ATOM 1664 N LEU A 115 -12.837 -13.532 0.347 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.386 -14.877 0.329 1.00 0.00 C ATOM 1666 C LEU A 115 -14.912 -14.802 0.402 1.00 0.00 C ATOM 1667 O LEU A 115 -15.463 -13.921 1.061 1.00 0.00 O ATOM 1668 CB LEU A 115 -12.758 -15.726 1.436 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.252 -15.971 1.321 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -10.788 -17.017 2.336 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -10.866 -16.351 -0.110 1.00 0.00 C ATOM 0 H LEU A 115 -11.999 -13.421 0.918 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.136 -15.378 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -12.955 -15.243 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.263 -16.692 1.456 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.736 -15.041 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.714 -17.172 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.009 -16.668 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.310 -17.957 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.790 -16.520 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.391 -17.261 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.141 -15.543 -0.788 1.00 0.00 H new