USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 863 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 13 HIS : no HD1:sc= 0.146 K(o=0.15,f=-3.8!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.235 USER MOD Single : A 31 SER OG : rot -120:sc= 0.168 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 143:sc= -2.81! (180deg=-5.19!) USER MOD Single : A 41 CYS SG : rot -140:sc= -0.151 USER MOD Single : A 42 SER OG : rot -42:sc= 0.303 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 47 THR OG1 : rot -78:sc= 0.579 USER MOD Single : A 52 TYR OH : rot -153:sc= 1.23 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.0125 X(o=0.012,f=-0.11) USER MOD Single : A 59 HIS : no HD1:sc= -0.517 K(o=-0.48,f=-2.8) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc=-0.00622 (180deg=-0.0697) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0401 (180deg=-0.341) USER MOD Single : A 66 TYR OH : rot -130:sc= -2.33! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.00855 K(o=0.0086,f=-8.1!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.9!) USER MOD Single : A 103 GLN : amide:sc= -3.22! C(o=-3.2!,f=-5.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N GLU A 9 -15.220 0.034 -6.616 1.00 1.14 N ATOM 138 CA GLU A 9 -14.619 1.370 -6.493 1.00 34.42 C ATOM 139 C GLU A 9 -13.227 1.294 -5.862 1.00 44.51 C ATOM 140 O GLU A 9 -13.104 1.160 -4.659 1.00 11.21 O ATOM 141 CB GLU A 9 -15.522 2.334 -5.717 1.00 43.30 C ATOM 142 CG GLU A 9 -15.101 3.783 -5.846 1.00 22.22 C ATOM 143 CD GLU A 9 -15.213 4.256 -7.278 1.00 45.21 C ATOM 144 OE1 GLU A 9 -16.293 4.741 -7.665 1.00 50.33 O ATOM 145 OE2 GLU A 9 -14.236 4.126 -8.048 1.00 43.34 O ATOM 0 HA GLU A 9 -14.512 1.768 -7.502 1.00 34.42 H new ATOM 0 HB2 GLU A 9 -16.547 2.227 -6.073 1.00 43.30 H new ATOM 0 HB3 GLU A 9 -15.520 2.055 -4.663 1.00 43.30 H new ATOM 0 HG2 GLU A 9 -15.725 4.405 -5.204 1.00 22.22 H new ATOM 0 HG3 GLU A 9 -14.074 3.899 -5.501 1.00 22.22 H new ATOM 152 N LEU A 10 -12.185 1.367 -6.687 1.00 74.53 N ATOM 153 CA LEU A 10 -10.813 1.204 -6.209 1.00 70.14 C ATOM 154 C LEU A 10 -9.877 2.308 -6.670 1.00 0.21 C ATOM 155 O LEU A 10 -9.776 2.602 -7.869 1.00 61.03 O ATOM 156 CB LEU A 10 -10.191 -0.161 -6.632 1.00 21.12 C ATOM 157 CG LEU A 10 -10.722 -1.460 -5.992 1.00 62.34 C ATOM 158 CD1 LEU A 10 -10.623 -1.405 -4.491 1.00 52.22 C ATOM 159 CD2 LEU A 10 -12.124 -1.783 -6.431 1.00 1.12 C ATOM 0 H LEU A 10 -12.264 1.538 -7.689 1.00 74.53 H new ATOM 0 HA LEU A 10 -10.905 1.249 -5.124 1.00 70.14 H new ATOM 0 HB2 LEU A 10 -10.309 -0.255 -7.712 1.00 21.12 H new ATOM 0 HB3 LEU A 10 -9.121 -0.110 -6.432 1.00 21.12 H new ATOM 0 HG LEU A 10 -10.085 -2.270 -6.346 1.00 62.34 H new ATOM 0 HD11 LEU A 10 -11.004 -2.334 -4.067 1.00 52.22 H new ATOM 0 HD12 LEU A 10 -9.581 -1.274 -4.200 1.00 52.22 H new ATOM 0 HD13 LEU A 10 -11.212 -0.567 -4.118 1.00 52.22 H new ATOM 0 HD21 LEU A 10 -12.451 -2.706 -5.953 1.00 1.12 H new ATOM 0 HD22 LEU A 10 -12.791 -0.970 -6.145 1.00 1.12 H new ATOM 0 HD23 LEU A 10 -12.147 -1.907 -7.514 1.00 1.12 H new ATOM 171 N GLU A 11 -9.196 2.899 -5.713 1.00 72.41 N ATOM 172 CA GLU A 11 -8.107 3.834 -5.954 1.00 2.22 C ATOM 173 C GLU A 11 -7.063 3.631 -4.904 1.00 42.42 C ATOM 174 O GLU A 11 -7.310 3.868 -3.744 1.00 1.50 O ATOM 175 CB GLU A 11 -8.515 5.311 -5.902 1.00 11.45 C ATOM 176 CG GLU A 11 -9.469 5.788 -6.955 1.00 41.01 C ATOM 177 CD GLU A 11 -9.541 7.291 -6.967 1.00 3.21 C ATOM 178 OE1 GLU A 11 -8.661 7.923 -7.593 1.00 33.32 O ATOM 179 OE2 GLU A 11 -10.444 7.878 -6.337 1.00 10.41 O ATOM 0 H GLU A 11 -9.384 2.743 -4.723 1.00 72.41 H new ATOM 0 HA GLU A 11 -7.753 3.627 -6.964 1.00 2.22 H new ATOM 0 HB2 GLU A 11 -8.961 5.506 -4.927 1.00 11.45 H new ATOM 0 HB3 GLU A 11 -7.610 5.915 -5.965 1.00 11.45 H new ATOM 0 HG2 GLU A 11 -9.150 5.427 -7.933 1.00 41.01 H new ATOM 0 HG3 GLU A 11 -10.460 5.373 -6.770 1.00 41.01 H new ATOM 186 N VAL A 12 -5.919 3.193 -5.266 1.00 34.24 N ATOM 187 CA VAL A 12 -4.898 3.052 -4.282 1.00 11.15 C ATOM 188 C VAL A 12 -3.853 4.082 -4.608 1.00 5.13 C ATOM 189 O VAL A 12 -3.310 4.079 -5.703 1.00 22.20 O ATOM 190 CB VAL A 12 -4.272 1.636 -4.284 1.00 51.43 C ATOM 191 CG1 VAL A 12 -3.457 1.400 -3.015 1.00 1.05 C ATOM 192 CG2 VAL A 12 -5.337 0.567 -4.449 1.00 75.13 C ATOM 0 H VAL A 12 -5.660 2.928 -6.216 1.00 34.24 H new ATOM 0 HA VAL A 12 -5.318 3.195 -3.286 1.00 11.15 H new ATOM 0 HB VAL A 12 -3.597 1.570 -5.138 1.00 51.43 H new ATOM 0 HG11 VAL A 12 -3.027 0.399 -3.040 1.00 1.05 H new ATOM 0 HG12 VAL A 12 -2.656 2.137 -2.954 1.00 1.05 H new ATOM 0 HG13 VAL A 12 -4.105 1.496 -2.144 1.00 1.05 H new ATOM 0 HG21 VAL A 12 -4.868 -0.417 -4.447 1.00 75.13 H new ATOM 0 HG22 VAL A 12 -6.048 0.632 -3.626 1.00 75.13 H new ATOM 0 HG23 VAL A 12 -5.860 0.717 -5.393 1.00 75.13 H new ATOM 202 N HIS A 13 -3.594 4.973 -3.692 1.00 40.33 N ATOM 203 CA HIS A 13 -2.645 6.035 -3.956 1.00 74.13 C ATOM 204 C HIS A 13 -1.771 6.276 -2.760 1.00 70.21 C ATOM 205 O HIS A 13 -2.175 6.020 -1.631 1.00 51.34 O ATOM 206 CB HIS A 13 -3.348 7.363 -4.399 1.00 71.20 C ATOM 207 CG HIS A 13 -4.212 8.035 -3.352 1.00 2.12 C ATOM 208 ND1 HIS A 13 -5.586 8.052 -3.394 1.00 12.44 N ATOM 209 CD2 HIS A 13 -3.873 8.728 -2.247 1.00 35.14 C ATOM 210 CE1 HIS A 13 -6.045 8.720 -2.358 1.00 24.34 C ATOM 211 NE2 HIS A 13 -5.024 9.138 -1.651 1.00 65.32 N ATOM 0 H HIS A 13 -4.017 4.992 -2.764 1.00 40.33 H new ATOM 0 HA HIS A 13 -2.022 5.706 -4.788 1.00 74.13 H new ATOM 0 HB2 HIS A 13 -2.581 8.069 -4.717 1.00 71.20 H new ATOM 0 HB3 HIS A 13 -3.967 7.151 -5.271 1.00 71.20 H new ATOM 0 HD2 HIS A 13 -2.869 8.922 -1.898 1.00 35.14 H new ATOM 0 HE1 HIS A 13 -7.086 8.894 -2.129 1.00 24.34 H new ATOM 0 HE2 HIS A 13 -5.083 9.684 -0.791 1.00 65.32 H new ATOM 220 N ILE A 14 -0.607 6.769 -3.003 1.00 55.02 N ATOM 221 CA ILE A 14 0.324 7.090 -1.963 1.00 14.00 C ATOM 222 C ILE A 14 0.364 8.616 -1.850 1.00 74.34 C ATOM 223 O ILE A 14 0.913 9.284 -2.720 1.00 43.53 O ATOM 224 CB ILE A 14 1.743 6.587 -2.327 1.00 24.22 C ATOM 225 CG1 ILE A 14 1.717 5.117 -2.743 1.00 74.20 C ATOM 226 CG2 ILE A 14 2.703 6.780 -1.160 1.00 21.52 C ATOM 227 CD1 ILE A 14 3.065 4.560 -3.169 1.00 73.33 C ATOM 0 H ILE A 14 -0.264 6.966 -3.943 1.00 55.02 H new ATOM 0 HA ILE A 14 0.017 6.619 -1.030 1.00 14.00 H new ATOM 0 HB ILE A 14 2.094 7.179 -3.172 1.00 24.22 H new ATOM 0 HG12 ILE A 14 1.339 4.523 -1.911 1.00 74.20 H new ATOM 0 HG13 ILE A 14 1.012 4.997 -3.566 1.00 74.20 H new ATOM 0 HG21 ILE A 14 3.693 6.419 -1.440 1.00 21.52 H new ATOM 0 HG22 ILE A 14 2.761 7.839 -0.907 1.00 21.52 H new ATOM 0 HG23 ILE A 14 2.343 6.220 -0.297 1.00 21.52 H new ATOM 0 HD11 ILE A 14 2.954 3.512 -3.447 1.00 73.33 H new ATOM 0 HD12 ILE A 14 3.439 5.125 -4.023 1.00 73.33 H new ATOM 0 HD13 ILE A 14 3.771 4.643 -2.342 1.00 73.33 H new ATOM 239 N PRO A 15 -0.271 9.201 -0.831 1.00 24.12 N ATOM 240 CA PRO A 15 -0.290 10.647 -0.668 1.00 42.53 C ATOM 241 C PRO A 15 0.996 11.196 -0.043 1.00 11.23 C ATOM 242 O PRO A 15 1.328 12.374 -0.223 1.00 51.30 O ATOM 243 CB PRO A 15 -1.485 10.880 0.252 1.00 43.31 C ATOM 244 CG PRO A 15 -1.569 9.645 1.079 1.00 31.31 C ATOM 245 CD PRO A 15 -1.057 8.518 0.218 1.00 51.13 C ATOM 0 HA PRO A 15 -0.364 11.161 -1.626 1.00 42.53 H new ATOM 0 HB2 PRO A 15 -1.341 11.764 0.873 1.00 43.31 H new ATOM 0 HB3 PRO A 15 -2.400 11.038 -0.319 1.00 43.31 H new ATOM 0 HG2 PRO A 15 -0.971 9.743 1.985 1.00 31.31 H new ATOM 0 HG3 PRO A 15 -2.596 9.458 1.393 1.00 31.31 H new ATOM 0 HD2 PRO A 15 -0.441 7.825 0.791 1.00 51.13 H new ATOM 0 HD3 PRO A 15 -1.875 7.938 -0.209 1.00 51.13 H new ATOM 253 N SER A 16 1.717 10.358 0.689 1.00 3.22 N ATOM 254 CA SER A 16 2.934 10.776 1.368 1.00 3.34 C ATOM 255 C SER A 16 3.825 9.557 1.643 1.00 74.44 C ATOM 256 O SER A 16 3.333 8.422 1.715 1.00 3.45 O ATOM 257 CB SER A 16 2.575 11.461 2.697 1.00 14.34 C ATOM 258 OG SER A 16 1.683 12.561 2.491 1.00 45.43 O ATOM 0 H SER A 16 1.477 9.377 0.828 1.00 3.22 H new ATOM 0 HA SER A 16 3.474 11.478 0.732 1.00 3.34 H new ATOM 0 HB2 SER A 16 2.114 10.737 3.369 1.00 14.34 H new ATOM 0 HB3 SER A 16 3.484 11.814 3.184 1.00 14.34 H new ATOM 0 HG SER A 16 1.471 12.976 3.353 1.00 45.43 H new ATOM 264 N VAL A 17 5.113 9.789 1.778 1.00 64.44 N ATOM 265 CA VAL A 17 6.077 8.742 2.086 1.00 74.34 C ATOM 266 C VAL A 17 7.044 9.283 3.117 1.00 64.43 C ATOM 267 O VAL A 17 7.593 10.374 2.927 1.00 2.53 O ATOM 268 CB VAL A 17 6.929 8.332 0.848 1.00 45.10 C ATOM 269 CG1 VAL A 17 7.875 7.194 1.193 1.00 53.40 C ATOM 270 CG2 VAL A 17 6.090 7.983 -0.363 1.00 62.43 C ATOM 0 H VAL A 17 5.529 10.715 1.677 1.00 64.44 H new ATOM 0 HA VAL A 17 5.518 7.873 2.433 1.00 74.34 H new ATOM 0 HB VAL A 17 7.515 9.210 0.576 1.00 45.10 H new ATOM 0 HG11 VAL A 17 8.459 6.926 0.312 1.00 53.40 H new ATOM 0 HG12 VAL A 17 8.547 7.509 1.991 1.00 53.40 H new ATOM 0 HG13 VAL A 17 7.299 6.330 1.523 1.00 53.40 H new ATOM 0 HG21 VAL A 17 6.743 7.706 -1.191 1.00 62.43 H new ATOM 0 HG22 VAL A 17 5.435 7.146 -0.123 1.00 62.43 H new ATOM 0 HG23 VAL A 17 5.487 8.845 -0.649 1.00 62.43 H new ATOM 280 N GLY A 18 7.248 8.581 4.201 1.00 54.11 N ATOM 281 CA GLY A 18 8.230 9.060 5.147 1.00 4.23 C ATOM 282 C GLY A 18 9.199 7.988 5.615 1.00 14.41 C ATOM 283 O GLY A 18 8.880 6.816 5.587 1.00 43.32 O ATOM 0 H GLY A 18 6.773 7.713 4.448 1.00 54.11 H new ATOM 0 HA2 GLY A 18 8.794 9.874 4.691 1.00 4.23 H new ATOM 0 HA3 GLY A 18 7.715 9.475 6.013 1.00 4.23 H new ATOM 287 N PRO A 19 10.422 8.356 6.015 1.00 3.10 N ATOM 288 CA PRO A 19 11.336 7.421 6.640 1.00 54.42 C ATOM 289 C PRO A 19 10.913 7.258 8.095 1.00 23.14 C ATOM 290 O PRO A 19 10.978 8.220 8.883 1.00 62.53 O ATOM 291 CB PRO A 19 12.711 8.105 6.547 1.00 34.43 C ATOM 292 CG PRO A 19 12.480 9.403 5.824 1.00 33.13 C ATOM 293 CD PRO A 19 11.009 9.689 5.887 1.00 44.20 C ATOM 0 HA PRO A 19 11.351 6.435 6.175 1.00 54.42 H new ATOM 0 HB2 PRO A 19 13.128 8.280 7.539 1.00 34.43 H new ATOM 0 HB3 PRO A 19 13.422 7.479 6.008 1.00 34.43 H new ATOM 0 HG2 PRO A 19 13.049 10.209 6.288 1.00 33.13 H new ATOM 0 HG3 PRO A 19 12.814 9.332 4.789 1.00 33.13 H new ATOM 0 HD2 PRO A 19 10.757 10.325 6.736 1.00 44.20 H new ATOM 0 HD3 PRO A 19 10.658 10.201 4.991 1.00 44.20 H new ATOM 301 N GLU A 20 10.467 6.077 8.447 1.00 21.01 N ATOM 302 CA GLU A 20 9.828 5.876 9.740 1.00 14.42 C ATOM 303 C GLU A 20 9.727 4.397 10.140 1.00 14.32 C ATOM 304 O GLU A 20 9.586 4.071 11.327 1.00 0.42 O ATOM 305 CB GLU A 20 8.441 6.552 9.695 1.00 21.33 C ATOM 306 CG GLU A 20 7.528 6.274 10.855 1.00 75.45 C ATOM 307 CD GLU A 20 6.306 7.130 10.814 1.00 32.11 C ATOM 308 OE1 GLU A 20 5.400 6.839 10.041 1.00 20.23 O ATOM 309 OE2 GLU A 20 6.249 8.139 11.554 1.00 12.12 O ATOM 0 H GLU A 20 10.530 5.241 7.866 1.00 21.01 H new ATOM 0 HA GLU A 20 10.447 6.332 10.513 1.00 14.42 H new ATOM 0 HB2 GLU A 20 8.588 7.630 9.626 1.00 21.33 H new ATOM 0 HB3 GLU A 20 7.937 6.239 8.780 1.00 21.33 H new ATOM 0 HG2 GLU A 20 7.237 5.224 10.845 1.00 75.45 H new ATOM 0 HG3 GLU A 20 8.063 6.448 11.789 1.00 75.45 H new ATOM 465 N SER A 31 14.146 -2.264 5.617 1.00 70.23 N ATOM 466 CA SER A 31 14.135 -0.954 5.042 1.00 70.54 C ATOM 467 C SER A 31 13.628 -0.001 6.092 1.00 32.10 C ATOM 468 O SER A 31 12.746 -0.363 6.861 1.00 1.43 O ATOM 469 CB SER A 31 13.221 -0.924 3.805 1.00 54.10 C ATOM 470 OG SER A 31 13.097 0.383 3.280 1.00 40.13 O ATOM 0 HA SER A 31 15.137 -0.668 4.722 1.00 70.54 H new ATOM 0 HB2 SER A 31 13.623 -1.588 3.039 1.00 54.10 H new ATOM 0 HB3 SER A 31 12.235 -1.305 4.071 1.00 54.10 H new ATOM 0 HG SER A 31 12.155 0.654 3.297 1.00 40.13 H new ATOM 476 N HIS A 32 14.173 1.185 6.159 1.00 73.24 N ATOM 477 CA HIS A 32 13.654 2.151 7.118 1.00 75.42 C ATOM 478 C HIS A 32 12.653 3.084 6.418 1.00 61.04 C ATOM 479 O HIS A 32 12.058 3.979 7.035 1.00 52.43 O ATOM 480 CB HIS A 32 14.778 2.984 7.819 1.00 14.24 C ATOM 481 CG HIS A 32 15.522 3.978 6.953 1.00 11.33 C ATOM 482 ND1 HIS A 32 15.312 5.338 7.026 1.00 35.21 N ATOM 483 CD2 HIS A 32 16.496 3.806 6.032 1.00 74.04 C ATOM 484 CE1 HIS A 32 16.119 5.956 6.183 1.00 20.54 C ATOM 485 NE2 HIS A 32 16.845 5.048 5.570 1.00 20.21 N ATOM 0 H HIS A 32 14.952 1.508 5.585 1.00 73.24 H new ATOM 0 HA HIS A 32 13.153 1.588 7.905 1.00 75.42 H new ATOM 0 HB2 HIS A 32 14.332 3.525 8.653 1.00 14.24 H new ATOM 0 HB3 HIS A 32 15.504 2.289 8.242 1.00 14.24 H new ATOM 0 HD2 HIS A 32 16.921 2.864 5.718 1.00 74.04 H new ATOM 0 HE1 HIS A 32 16.173 7.023 6.025 1.00 20.54 H new ATOM 0 HE2 HIS A 32 17.555 5.238 4.863 1.00 20.21 H new ATOM 494 N MET A 33 12.464 2.857 5.127 1.00 44.41 N ATOM 495 CA MET A 33 11.632 3.700 4.318 1.00 12.02 C ATOM 496 C MET A 33 10.210 3.143 4.263 1.00 2.25 C ATOM 497 O MET A 33 10.013 1.926 4.073 1.00 20.31 O ATOM 498 CB MET A 33 12.207 3.756 2.916 1.00 62.30 C ATOM 499 CG MET A 33 11.647 4.874 2.107 1.00 53.43 C ATOM 500 SD MET A 33 12.065 6.444 2.850 1.00 24.15 S ATOM 501 CE MET A 33 11.449 7.493 1.607 1.00 44.52 C ATOM 0 H MET A 33 12.888 2.080 4.621 1.00 44.41 H new ATOM 0 HA MET A 33 11.601 4.700 4.751 1.00 12.02 H new ATOM 0 HB2 MET A 33 13.290 3.864 2.976 1.00 62.30 H new ATOM 0 HB3 MET A 33 12.009 2.812 2.409 1.00 62.30 H new ATOM 0 HG2 MET A 33 12.039 4.829 1.091 1.00 53.43 H new ATOM 0 HG3 MET A 33 10.564 4.774 2.036 1.00 53.43 H new ATOM 0 HE1 MET A 33 11.009 8.379 2.064 1.00 44.52 H new ATOM 0 HE2 MET A 33 12.263 7.792 0.947 1.00 44.52 H new ATOM 0 HE3 MET A 33 10.689 6.966 1.030 1.00 44.52 H new ATOM 511 N VAL A 34 9.223 4.010 4.417 1.00 13.15 N ATOM 512 CA VAL A 34 7.846 3.569 4.419 1.00 74.41 C ATOM 513 C VAL A 34 6.907 4.538 3.689 1.00 70.05 C ATOM 514 O VAL A 34 6.844 5.725 3.994 1.00 32.02 O ATOM 515 CB VAL A 34 7.346 3.253 5.870 1.00 75.21 C ATOM 516 CG1 VAL A 34 7.534 4.423 6.809 1.00 11.30 C ATOM 517 CG2 VAL A 34 5.909 2.825 5.895 1.00 64.51 C ATOM 0 H VAL A 34 9.352 5.014 4.541 1.00 13.15 H new ATOM 0 HA VAL A 34 7.819 2.639 3.851 1.00 74.41 H new ATOM 0 HB VAL A 34 7.964 2.425 6.216 1.00 75.21 H new ATOM 0 HG11 VAL A 34 7.172 4.155 7.802 1.00 11.30 H new ATOM 0 HG12 VAL A 34 8.592 4.678 6.865 1.00 11.30 H new ATOM 0 HG13 VAL A 34 6.973 5.281 6.438 1.00 11.30 H new ATOM 0 HG21 VAL A 34 5.609 2.617 6.922 1.00 64.51 H new ATOM 0 HG22 VAL A 34 5.285 3.621 5.489 1.00 64.51 H new ATOM 0 HG23 VAL A 34 5.787 1.925 5.292 1.00 64.51 H new ATOM 527 N PHE A 35 6.191 4.023 2.718 1.00 12.44 N ATOM 528 CA PHE A 35 5.238 4.825 1.999 1.00 23.10 C ATOM 529 C PHE A 35 3.830 4.554 2.471 1.00 2.44 C ATOM 530 O PHE A 35 3.502 3.444 2.874 1.00 61.13 O ATOM 531 CB PHE A 35 5.391 4.721 0.461 1.00 51.23 C ATOM 532 CG PHE A 35 5.461 3.345 -0.112 1.00 42.03 C ATOM 533 CD1 PHE A 35 4.352 2.544 -0.150 1.00 43.23 C ATOM 534 CD2 PHE A 35 6.647 2.868 -0.639 1.00 5.45 C ATOM 535 CE1 PHE A 35 4.407 1.286 -0.693 1.00 4.30 C ATOM 536 CE2 PHE A 35 6.716 1.604 -1.186 1.00 23.40 C ATOM 537 CZ PHE A 35 5.591 0.808 -1.211 1.00 14.12 C ATOM 0 H PHE A 35 6.252 3.053 2.410 1.00 12.44 H new ATOM 0 HA PHE A 35 5.460 5.866 2.232 1.00 23.10 H new ATOM 0 HB2 PHE A 35 4.551 5.240 -0.001 1.00 51.23 H new ATOM 0 HB3 PHE A 35 6.295 5.257 0.172 1.00 51.23 H new ATOM 0 HD1 PHE A 35 3.419 2.908 0.254 1.00 43.23 H new ATOM 0 HD2 PHE A 35 7.528 3.492 -0.622 1.00 5.45 H new ATOM 0 HE1 PHE A 35 3.521 0.669 -0.715 1.00 4.30 H new ATOM 0 HE2 PHE A 35 7.648 1.239 -1.593 1.00 23.40 H new ATOM 0 HZ PHE A 35 5.637 -0.185 -1.634 1.00 14.12 H new ATOM 547 N ARG A 36 3.019 5.564 2.460 1.00 65.35 N ATOM 548 CA ARG A 36 1.663 5.461 2.939 1.00 41.22 C ATOM 549 C ARG A 36 0.724 5.189 1.762 1.00 73.24 C ATOM 550 O ARG A 36 0.449 6.077 0.988 1.00 1.43 O ATOM 551 CB ARG A 36 1.258 6.792 3.606 1.00 24.24 C ATOM 552 CG ARG A 36 2.170 7.275 4.750 1.00 62.21 C ATOM 553 CD ARG A 36 2.257 6.246 5.850 1.00 31.31 C ATOM 554 NE ARG A 36 2.873 6.750 7.078 1.00 42.34 N ATOM 555 CZ ARG A 36 2.232 6.847 8.266 1.00 34.43 C ATOM 556 NH1 ARG A 36 0.910 6.636 8.343 1.00 64.25 N ATOM 557 NH2 ARG A 36 2.896 7.171 9.361 1.00 22.31 N ATOM 0 H ARG A 36 3.273 6.491 2.118 1.00 65.35 H new ATOM 0 HA ARG A 36 1.594 4.646 3.660 1.00 41.22 H new ATOM 0 HB2 ARG A 36 1.228 7.566 2.839 1.00 24.24 H new ATOM 0 HB3 ARG A 36 0.245 6.688 3.994 1.00 24.24 H new ATOM 0 HG2 ARG A 36 3.167 7.481 4.361 1.00 62.21 H new ATOM 0 HG3 ARG A 36 1.786 8.212 5.154 1.00 62.21 H new ATOM 0 HD2 ARG A 36 1.254 5.885 6.078 1.00 31.31 H new ATOM 0 HD3 ARG A 36 2.829 5.391 5.491 1.00 31.31 H new ATOM 0 HE ARG A 36 3.848 7.047 7.036 1.00 42.34 H new ATOM 0 HH11 ARG A 36 0.381 6.401 7.503 1.00 64.25 H new ATOM 0 HH12 ARG A 36 0.433 6.711 9.242 1.00 64.25 H new ATOM 0 HH21 ARG A 36 3.899 7.350 9.315 1.00 22.31 H new ATOM 0 HH22 ARG A 36 2.406 7.242 10.253 1.00 22.31 H new ATOM 571 N VAL A 37 0.271 3.967 1.621 1.00 10.01 N ATOM 572 CA VAL A 37 -0.665 3.620 0.552 1.00 73.40 C ATOM 573 C VAL A 37 -2.097 3.655 1.048 1.00 10.33 C ATOM 574 O VAL A 37 -2.460 2.947 1.994 1.00 4.44 O ATOM 575 CB VAL A 37 -0.365 2.232 -0.131 1.00 35.43 C ATOM 576 CG1 VAL A 37 0.840 2.304 -1.015 1.00 3.24 C ATOM 577 CG2 VAL A 37 -0.157 1.134 0.885 1.00 74.32 C ATOM 0 H VAL A 37 0.529 3.188 2.227 1.00 10.01 H new ATOM 0 HA VAL A 37 -0.525 4.382 -0.215 1.00 73.40 H new ATOM 0 HB VAL A 37 -1.243 1.996 -0.732 1.00 35.43 H new ATOM 0 HG11 VAL A 37 1.017 1.329 -1.469 1.00 3.24 H new ATOM 0 HG12 VAL A 37 0.673 3.044 -1.798 1.00 3.24 H new ATOM 0 HG13 VAL A 37 1.709 2.591 -0.423 1.00 3.24 H new ATOM 0 HG21 VAL A 37 0.047 0.195 0.370 1.00 74.32 H new ATOM 0 HG22 VAL A 37 0.687 1.387 1.526 1.00 74.32 H new ATOM 0 HG23 VAL A 37 -1.055 1.026 1.493 1.00 74.32 H new ATOM 587 N GLU A 38 -2.896 4.496 0.451 1.00 45.43 N ATOM 588 CA GLU A 38 -4.283 4.561 0.788 1.00 22.25 C ATOM 589 C GLU A 38 -5.069 3.727 -0.165 1.00 43.44 C ATOM 590 O GLU A 38 -5.152 4.034 -1.359 1.00 74.14 O ATOM 591 CB GLU A 38 -4.840 5.976 0.778 1.00 32.24 C ATOM 592 CG GLU A 38 -4.177 6.921 1.731 1.00 51.22 C ATOM 593 CD GLU A 38 -4.941 8.190 1.859 1.00 73.51 C ATOM 594 OE1 GLU A 38 -4.922 8.999 0.931 1.00 30.22 O ATOM 595 OE2 GLU A 38 -5.599 8.378 2.895 1.00 53.24 O ATOM 0 H GLU A 38 -2.603 5.149 -0.276 1.00 45.43 H new ATOM 0 HA GLU A 38 -4.372 4.185 1.807 1.00 22.25 H new ATOM 0 HB2 GLU A 38 -4.751 6.379 -0.231 1.00 32.24 H new ATOM 0 HB3 GLU A 38 -5.904 5.934 1.012 1.00 32.24 H new ATOM 0 HG2 GLU A 38 -4.087 6.449 2.709 1.00 51.22 H new ATOM 0 HG3 GLU A 38 -3.166 7.137 1.387 1.00 51.22 H new ATOM 602 N VAL A 39 -5.620 2.679 0.346 1.00 23.34 N ATOM 603 CA VAL A 39 -6.454 1.807 -0.423 1.00 21.12 C ATOM 604 C VAL A 39 -7.881 2.302 -0.328 1.00 64.44 C ATOM 605 O VAL A 39 -8.519 2.201 0.734 1.00 50.20 O ATOM 606 CB VAL A 39 -6.363 0.351 0.090 1.00 22.24 C ATOM 607 CG1 VAL A 39 -7.311 -0.563 -0.675 1.00 14.33 C ATOM 608 CG2 VAL A 39 -4.930 -0.170 -0.003 1.00 52.00 C ATOM 0 H VAL A 39 -5.505 2.397 1.319 1.00 23.34 H new ATOM 0 HA VAL A 39 -6.119 1.813 -1.460 1.00 21.12 H new ATOM 0 HB VAL A 39 -6.664 0.351 1.138 1.00 22.24 H new ATOM 0 HG11 VAL A 39 -7.224 -1.580 -0.292 1.00 14.33 H new ATOM 0 HG12 VAL A 39 -8.335 -0.213 -0.548 1.00 14.33 H new ATOM 0 HG13 VAL A 39 -7.053 -0.551 -1.734 1.00 14.33 H new ATOM 0 HG21 VAL A 39 -4.891 -1.196 0.363 1.00 52.00 H new ATOM 0 HG22 VAL A 39 -4.600 -0.143 -1.041 1.00 52.00 H new ATOM 0 HG23 VAL A 39 -4.275 0.457 0.602 1.00 52.00 H new ATOM 618 N LEU A 40 -8.344 2.909 -1.396 1.00 61.45 N ATOM 619 CA LEU A 40 -9.693 3.383 -1.481 1.00 44.31 C ATOM 620 C LEU A 40 -10.516 2.306 -2.095 1.00 45.13 C ATOM 621 O LEU A 40 -10.223 1.845 -3.200 1.00 53.13 O ATOM 622 CB LEU A 40 -9.774 4.695 -2.326 1.00 64.25 C ATOM 623 CG LEU A 40 -11.130 5.455 -2.399 1.00 42.22 C ATOM 624 CD1 LEU A 40 -10.903 6.844 -2.954 1.00 65.04 C ATOM 625 CD2 LEU A 40 -12.130 4.737 -3.305 1.00 32.31 C ATOM 0 H LEU A 40 -7.787 3.086 -2.232 1.00 61.45 H new ATOM 0 HA LEU A 40 -10.068 3.622 -0.486 1.00 44.31 H new ATOM 0 HB2 LEU A 40 -9.028 5.387 -1.934 1.00 64.25 H new ATOM 0 HB3 LEU A 40 -9.477 4.450 -3.346 1.00 64.25 H new ATOM 0 HG LEU A 40 -11.537 5.499 -1.389 1.00 42.22 H new ATOM 0 HD11 LEU A 40 -11.853 7.375 -3.005 1.00 65.04 H new ATOM 0 HD12 LEU A 40 -10.217 7.388 -2.304 1.00 65.04 H new ATOM 0 HD13 LEU A 40 -10.474 6.771 -3.954 1.00 65.04 H new ATOM 0 HD21 LEU A 40 -13.065 5.297 -3.331 1.00 32.31 H new ATOM 0 HD22 LEU A 40 -11.722 4.666 -4.313 1.00 32.31 H new ATOM 0 HD23 LEU A 40 -12.318 3.736 -2.918 1.00 32.31 H new ATOM 637 N CYS A 41 -11.506 1.893 -1.386 1.00 73.50 N ATOM 638 CA CYS A 41 -12.413 0.933 -1.865 1.00 3.41 C ATOM 639 C CYS A 41 -13.790 1.289 -1.374 1.00 72.43 C ATOM 640 O CYS A 41 -13.970 1.610 -0.184 1.00 54.44 O ATOM 641 CB CYS A 41 -12.025 -0.468 -1.432 1.00 55.14 C ATOM 642 SG CYS A 41 -13.090 -1.745 -2.106 1.00 63.04 S ATOM 0 H CYS A 41 -11.705 2.223 -0.442 1.00 73.50 H new ATOM 0 HA CYS A 41 -12.397 0.937 -2.955 1.00 3.41 H new ATOM 0 HB2 CYS A 41 -10.998 -0.663 -1.739 1.00 55.14 H new ATOM 0 HB3 CYS A 41 -12.049 -0.523 -0.344 1.00 55.14 H new ATOM 0 HG CYS A 41 -13.314 -2.647 -1.197 1.00 63.04 H new ATOM 648 N SER A 42 -14.746 1.292 -2.290 1.00 54.11 N ATOM 649 CA SER A 42 -16.138 1.616 -2.001 1.00 4.53 C ATOM 650 C SER A 42 -16.248 3.084 -1.508 1.00 31.42 C ATOM 651 O SER A 42 -17.196 3.457 -0.842 1.00 12.23 O ATOM 652 CB SER A 42 -16.698 0.600 -0.960 1.00 3.42 C ATOM 653 OG SER A 42 -18.096 0.740 -0.738 1.00 15.30 O ATOM 0 H SER A 42 -14.576 1.066 -3.270 1.00 54.11 H new ATOM 0 HA SER A 42 -16.741 1.534 -2.906 1.00 4.53 H new ATOM 0 HB2 SER A 42 -16.491 -0.414 -1.303 1.00 3.42 H new ATOM 0 HB3 SER A 42 -16.171 0.731 -0.015 1.00 3.42 H new ATOM 0 HG SER A 42 -18.325 1.691 -0.687 1.00 15.30 H new ATOM 659 N GLY A 43 -15.264 3.905 -1.869 1.00 62.32 N ATOM 660 CA GLY A 43 -15.277 5.315 -1.495 1.00 22.20 C ATOM 661 C GLY A 43 -14.449 5.602 -0.256 1.00 41.11 C ATOM 662 O GLY A 43 -14.017 6.735 -0.029 1.00 55.23 O ATOM 0 H GLY A 43 -14.453 3.619 -2.417 1.00 62.32 H new ATOM 0 HA2 GLY A 43 -14.898 5.910 -2.326 1.00 22.20 H new ATOM 0 HA3 GLY A 43 -16.306 5.630 -1.320 1.00 22.20 H new ATOM 666 N ARG A 44 -14.207 4.581 0.532 1.00 72.32 N ATOM 667 CA ARG A 44 -13.466 4.740 1.775 1.00 20.40 C ATOM 668 C ARG A 44 -12.012 4.361 1.553 1.00 72.51 C ATOM 669 O ARG A 44 -11.735 3.406 0.847 1.00 32.32 O ATOM 670 CB ARG A 44 -14.069 3.894 2.931 1.00 73.14 C ATOM 671 CG ARG A 44 -15.491 4.283 3.399 1.00 40.13 C ATOM 672 CD ARG A 44 -16.577 4.029 2.345 1.00 21.12 C ATOM 673 NE ARG A 44 -17.910 4.409 2.830 1.00 51.42 N ATOM 674 CZ ARG A 44 -19.079 4.136 2.217 1.00 54.21 C ATOM 675 NH1 ARG A 44 -19.104 3.521 1.044 1.00 22.23 N ATOM 676 NH2 ARG A 44 -20.218 4.515 2.777 1.00 23.20 N ATOM 0 H ARG A 44 -14.511 3.626 0.340 1.00 72.32 H new ATOM 0 HA ARG A 44 -13.536 5.786 2.072 1.00 20.40 H new ATOM 0 HB2 ARG A 44 -14.086 2.850 2.617 1.00 73.14 H new ATOM 0 HB3 ARG A 44 -13.398 3.958 3.788 1.00 73.14 H new ATOM 0 HG2 ARG A 44 -15.734 3.721 4.301 1.00 40.13 H new ATOM 0 HG3 ARG A 44 -15.499 5.339 3.669 1.00 40.13 H new ATOM 0 HD2 ARG A 44 -16.345 4.593 1.441 1.00 21.12 H new ATOM 0 HD3 ARG A 44 -16.577 2.974 2.071 1.00 21.12 H new ATOM 0 HE ARG A 44 -17.955 4.925 3.709 1.00 51.42 H new ATOM 0 HH11 ARG A 44 -18.231 3.247 0.593 1.00 22.23 H new ATOM 0 HH12 ARG A 44 -19.996 3.321 0.592 1.00 22.23 H new ATOM 0 HH21 ARG A 44 -20.208 5.011 3.668 1.00 23.20 H new ATOM 0 HH22 ARG A 44 -21.105 4.311 2.317 1.00 23.20 H new ATOM 690 N ARG A 45 -11.096 5.094 2.153 1.00 73.53 N ATOM 691 CA ARG A 45 -9.665 4.840 1.959 1.00 45.22 C ATOM 692 C ARG A 45 -8.916 4.846 3.281 1.00 33.43 C ATOM 693 O ARG A 45 -9.009 5.803 4.059 1.00 43.33 O ATOM 694 CB ARG A 45 -8.992 5.843 0.959 1.00 73.15 C ATOM 695 CG ARG A 45 -8.979 7.323 1.379 1.00 64.03 C ATOM 696 CD ARG A 45 -10.360 7.943 1.357 1.00 73.24 C ATOM 697 NE ARG A 45 -10.385 9.291 1.925 1.00 53.32 N ATOM 698 CZ ARG A 45 -11.397 10.152 1.782 1.00 52.42 C ATOM 699 NH1 ARG A 45 -12.457 9.817 1.050 1.00 53.14 N ATOM 700 NH2 ARG A 45 -11.354 11.340 2.377 1.00 30.12 N ATOM 0 H ARG A 45 -11.307 5.871 2.780 1.00 73.53 H new ATOM 0 HA ARG A 45 -9.600 3.846 1.515 1.00 45.22 H new ATOM 0 HB2 ARG A 45 -7.962 5.525 0.797 1.00 73.15 H new ATOM 0 HB3 ARG A 45 -9.504 5.765 0.000 1.00 73.15 H new ATOM 0 HG2 ARG A 45 -8.561 7.409 2.382 1.00 64.03 H new ATOM 0 HG3 ARG A 45 -8.323 7.881 0.711 1.00 64.03 H new ATOM 0 HD2 ARG A 45 -10.720 7.980 0.329 1.00 73.24 H new ATOM 0 HD3 ARG A 45 -11.048 7.306 1.913 1.00 73.24 H new ATOM 0 HE ARG A 45 -9.576 9.594 2.467 1.00 53.32 H new ATOM 0 HH11 ARG A 45 -12.497 8.903 0.598 1.00 53.14 H new ATOM 0 HH12 ARG A 45 -13.230 10.474 0.941 1.00 53.14 H new ATOM 0 HH21 ARG A 45 -10.547 11.597 2.945 1.00 30.12 H new ATOM 0 HH22 ARG A 45 -12.128 11.995 2.266 1.00 30.12 H new ATOM 714 N HIS A 46 -8.177 3.790 3.538 1.00 11.43 N ATOM 715 CA HIS A 46 -7.396 3.702 4.765 1.00 13.04 C ATOM 716 C HIS A 46 -5.946 3.967 4.414 1.00 54.21 C ATOM 717 O HIS A 46 -5.434 3.405 3.438 1.00 72.34 O ATOM 718 CB HIS A 46 -7.528 2.300 5.411 1.00 21.01 C ATOM 719 CG HIS A 46 -7.035 2.224 6.845 1.00 20.33 C ATOM 720 ND1 HIS A 46 -7.890 2.159 7.922 1.00 5.44 N ATOM 721 CD2 HIS A 46 -5.782 2.189 7.370 1.00 44.21 C ATOM 722 CE1 HIS A 46 -7.190 2.091 9.038 1.00 24.13 C ATOM 723 NE2 HIS A 46 -5.912 2.109 8.733 1.00 1.55 N ATOM 0 H HIS A 46 -8.096 2.981 2.922 1.00 11.43 H new ATOM 0 HA HIS A 46 -7.763 4.435 5.484 1.00 13.04 H new ATOM 0 HB2 HIS A 46 -8.575 1.997 5.382 1.00 21.01 H new ATOM 0 HB3 HIS A 46 -6.971 1.582 4.809 1.00 21.01 H new ATOM 0 HD2 HIS A 46 -4.855 2.219 6.816 1.00 44.21 H new ATOM 0 HE1 HIS A 46 -7.599 2.031 10.036 1.00 24.13 H new ATOM 0 HE2 HIS A 46 -5.142 2.070 9.401 1.00 1.55 H new ATOM 732 N THR A 47 -5.292 4.801 5.188 1.00 1.24 N ATOM 733 CA THR A 47 -3.911 5.119 4.940 1.00 54.41 C ATOM 734 C THR A 47 -3.051 4.036 5.581 1.00 25.12 C ATOM 735 O THR A 47 -2.970 3.941 6.808 1.00 72.22 O ATOM 736 CB THR A 47 -3.550 6.486 5.556 1.00 2.30 C ATOM 737 OG1 THR A 47 -4.555 7.468 5.211 1.00 42.30 O ATOM 738 CG2 THR A 47 -2.193 6.959 5.047 1.00 64.33 C ATOM 0 H THR A 47 -5.698 5.271 5.997 1.00 1.24 H new ATOM 0 HA THR A 47 -3.736 5.168 3.865 1.00 54.41 H new ATOM 0 HB THR A 47 -3.507 6.372 6.639 1.00 2.30 H new ATOM 0 HG1 THR A 47 -4.416 7.768 4.288 1.00 42.30 H new ATOM 0 HG21 THR A 47 -1.954 7.925 5.492 1.00 64.33 H new ATOM 0 HG22 THR A 47 -1.428 6.233 5.323 1.00 64.33 H new ATOM 0 HG23 THR A 47 -2.225 7.057 3.962 1.00 64.33 H new ATOM 746 N VAL A 48 -2.457 3.203 4.765 1.00 62.23 N ATOM 747 CA VAL A 48 -1.675 2.100 5.259 1.00 30.11 C ATOM 748 C VAL A 48 -0.178 2.290 4.981 1.00 71.53 C ATOM 749 O VAL A 48 0.242 2.296 3.826 1.00 51.20 O ATOM 750 CB VAL A 48 -2.128 0.764 4.614 1.00 2.12 C ATOM 751 CG1 VAL A 48 -1.315 -0.385 5.161 1.00 11.43 C ATOM 752 CG2 VAL A 48 -3.613 0.516 4.841 1.00 43.11 C ATOM 0 H VAL A 48 -2.501 3.269 3.748 1.00 62.23 H new ATOM 0 HA VAL A 48 -1.836 2.067 6.337 1.00 30.11 H new ATOM 0 HB VAL A 48 -1.960 0.836 3.539 1.00 2.12 H new ATOM 0 HG11 VAL A 48 -1.644 -1.316 4.699 1.00 11.43 H new ATOM 0 HG12 VAL A 48 -0.260 -0.223 4.939 1.00 11.43 H new ATOM 0 HG13 VAL A 48 -1.453 -0.447 6.240 1.00 11.43 H new ATOM 0 HG21 VAL A 48 -3.899 -0.428 4.377 1.00 43.11 H new ATOM 0 HG22 VAL A 48 -3.815 0.470 5.911 1.00 43.11 H new ATOM 0 HG23 VAL A 48 -4.189 1.328 4.398 1.00 43.11 H new ATOM 762 N PRO A 49 0.639 2.478 6.026 1.00 43.22 N ATOM 763 CA PRO A 49 2.088 2.520 5.883 1.00 64.41 C ATOM 764 C PRO A 49 2.627 1.167 5.392 1.00 21.55 C ATOM 765 O PRO A 49 2.358 0.109 5.987 1.00 53.43 O ATOM 766 CB PRO A 49 2.596 2.825 7.301 1.00 31.44 C ATOM 767 CG PRO A 49 1.469 2.485 8.206 1.00 13.14 C ATOM 768 CD PRO A 49 0.214 2.684 7.415 1.00 55.23 C ATOM 0 HA PRO A 49 2.415 3.260 5.153 1.00 64.41 H new ATOM 0 HB2 PRO A 49 3.481 2.234 7.537 1.00 31.44 H new ATOM 0 HB3 PRO A 49 2.877 3.873 7.400 1.00 31.44 H new ATOM 0 HG2 PRO A 49 1.549 1.455 8.555 1.00 13.14 H new ATOM 0 HG3 PRO A 49 1.476 3.122 9.090 1.00 13.14 H new ATOM 0 HD2 PRO A 49 -0.559 1.973 7.706 1.00 55.23 H new ATOM 0 HD3 PRO A 49 -0.198 3.682 7.563 1.00 55.23 H new ATOM 776 N ARG A 50 3.346 1.200 4.307 1.00 60.54 N ATOM 777 CA ARG A 50 3.877 0.018 3.711 1.00 74.45 C ATOM 778 C ARG A 50 5.389 0.191 3.579 1.00 73.35 C ATOM 779 O ARG A 50 5.855 1.050 2.817 1.00 40.11 O ATOM 780 CB ARG A 50 3.272 -0.130 2.317 1.00 60.52 C ATOM 781 CG ARG A 50 3.344 -1.519 1.702 1.00 64.34 C ATOM 782 CD ARG A 50 2.378 -2.468 2.408 1.00 14.24 C ATOM 783 NE ARG A 50 1.007 -1.901 2.423 1.00 24.21 N ATOM 784 CZ ARG A 50 -0.019 -2.291 1.646 1.00 61.53 C ATOM 785 NH1 ARG A 50 0.159 -3.214 0.713 1.00 60.14 N ATOM 786 NH2 ARG A 50 -1.219 -1.724 1.793 1.00 53.11 N ATOM 0 H ARG A 50 3.580 2.059 3.810 1.00 60.54 H new ATOM 0 HA ARG A 50 3.647 -0.860 4.315 1.00 74.45 H new ATOM 0 HB2 ARG A 50 2.225 0.171 2.363 1.00 60.52 H new ATOM 0 HB3 ARG A 50 3.775 0.568 1.648 1.00 60.52 H new ATOM 0 HG2 ARG A 50 3.101 -1.466 0.641 1.00 64.34 H new ATOM 0 HG3 ARG A 50 4.361 -1.904 1.777 1.00 64.34 H new ATOM 0 HD2 ARG A 50 2.373 -3.433 1.902 1.00 14.24 H new ATOM 0 HD3 ARG A 50 2.715 -2.646 3.429 1.00 14.24 H new ATOM 0 HE ARG A 50 0.826 -1.145 3.084 1.00 24.21 H new ATOM 0 HH11 ARG A 50 1.079 -3.634 0.580 1.00 60.14 H new ATOM 0 HH12 ARG A 50 -0.624 -3.505 0.127 1.00 60.14 H new ATOM 0 HH21 ARG A 50 -1.357 -0.996 2.494 1.00 53.11 H new ATOM 0 HH22 ARG A 50 -1.998 -2.019 1.204 1.00 53.11 H new ATOM 800 N ARG A 51 6.141 -0.567 4.340 1.00 14.51 N ATOM 801 CA ARG A 51 7.581 -0.519 4.255 1.00 11.12 C ATOM 802 C ARG A 51 8.046 -1.145 2.944 1.00 1.24 C ATOM 803 O ARG A 51 7.530 -2.188 2.530 1.00 30.10 O ATOM 804 CB ARG A 51 8.198 -1.169 5.503 1.00 51.25 C ATOM 805 CG ARG A 51 9.688 -1.463 5.454 1.00 50.22 C ATOM 806 CD ARG A 51 10.194 -1.931 6.819 1.00 65.23 C ATOM 807 NE ARG A 51 9.357 -2.976 7.415 1.00 2.33 N ATOM 808 CZ ARG A 51 9.604 -3.610 8.571 1.00 32.43 C ATOM 809 NH1 ARG A 51 10.694 -3.320 9.274 1.00 24.54 N ATOM 810 NH2 ARG A 51 8.744 -4.514 9.028 1.00 42.52 N ATOM 0 H ARG A 51 5.778 -1.227 5.028 1.00 14.51 H new ATOM 0 HA ARG A 51 7.928 0.514 4.241 1.00 11.12 H new ATOM 0 HB2 ARG A 51 8.008 -0.517 6.355 1.00 51.25 H new ATOM 0 HB3 ARG A 51 7.673 -2.105 5.694 1.00 51.25 H new ATOM 0 HG2 ARG A 51 9.888 -2.229 4.705 1.00 50.22 H new ATOM 0 HG3 ARG A 51 10.230 -0.568 5.147 1.00 50.22 H new ATOM 0 HD2 ARG A 51 11.212 -2.306 6.714 1.00 65.23 H new ATOM 0 HD3 ARG A 51 10.237 -1.078 7.496 1.00 65.23 H new ATOM 0 HE ARG A 51 8.514 -3.244 6.907 1.00 2.33 H new ATOM 0 HH11 ARG A 51 11.346 -2.613 8.935 1.00 24.54 H new ATOM 0 HH12 ARG A 51 10.878 -3.804 10.153 1.00 24.54 H new ATOM 0 HH21 ARG A 51 7.897 -4.725 8.500 1.00 42.52 H new ATOM 0 HH22 ARG A 51 8.931 -4.997 9.907 1.00 42.52 H new ATOM 824 N TYR A 52 9.008 -0.491 2.300 1.00 42.33 N ATOM 825 CA TYR A 52 9.504 -0.870 0.961 1.00 53.25 C ATOM 826 C TYR A 52 9.890 -2.362 0.891 1.00 5.32 C ATOM 827 O TYR A 52 9.515 -3.074 -0.049 1.00 24.31 O ATOM 828 CB TYR A 52 10.703 0.030 0.597 1.00 72.15 C ATOM 829 CG TYR A 52 11.215 -0.098 -0.828 1.00 14.42 C ATOM 830 CD1 TYR A 52 10.612 0.615 -1.859 1.00 32.21 C ATOM 831 CD2 TYR A 52 12.306 -0.906 -1.144 1.00 12.34 C ATOM 832 CE1 TYR A 52 11.073 0.528 -3.157 1.00 11.53 C ATOM 833 CE2 TYR A 52 12.772 -1.000 -2.446 1.00 4.33 C ATOM 834 CZ TYR A 52 12.149 -0.278 -3.447 1.00 23.13 C ATOM 835 OH TYR A 52 12.613 -0.349 -4.740 1.00 35.22 O ATOM 0 H TYR A 52 9.477 0.327 2.689 1.00 42.33 H new ATOM 0 HA TYR A 52 8.703 -0.723 0.237 1.00 53.25 H new ATOM 0 HB2 TYR A 52 10.420 1.068 0.770 1.00 72.15 H new ATOM 0 HB3 TYR A 52 11.523 -0.195 1.279 1.00 72.15 H new ATOM 0 HD1 TYR A 52 9.766 1.249 -1.639 1.00 32.21 H new ATOM 0 HD2 TYR A 52 12.796 -1.468 -0.362 1.00 12.34 H new ATOM 0 HE1 TYR A 52 10.590 1.091 -3.942 1.00 11.53 H new ATOM 0 HE2 TYR A 52 13.616 -1.633 -2.677 1.00 4.33 H new ATOM 0 HH TYR A 52 13.047 -1.216 -4.885 1.00 35.22 H new ATOM 845 N SER A 53 10.591 -2.827 1.906 1.00 13.43 N ATOM 846 CA SER A 53 11.041 -4.205 1.956 1.00 4.34 C ATOM 847 C SER A 53 9.846 -5.168 2.122 1.00 64.11 C ATOM 848 O SER A 53 9.849 -6.280 1.572 1.00 52.11 O ATOM 849 CB SER A 53 12.061 -4.379 3.099 1.00 10.21 C ATOM 850 OG SER A 53 12.655 -5.663 3.093 1.00 43.54 O ATOM 0 H SER A 53 10.863 -2.266 2.713 1.00 13.43 H new ATOM 0 HA SER A 53 11.530 -4.452 1.014 1.00 4.34 H new ATOM 0 HB2 SER A 53 12.838 -3.620 3.009 1.00 10.21 H new ATOM 0 HB3 SER A 53 11.564 -4.215 4.055 1.00 10.21 H new ATOM 0 HG SER A 53 13.295 -5.731 3.832 1.00 43.54 H new ATOM 856 N GLU A 54 8.804 -4.715 2.830 1.00 31.13 N ATOM 857 CA GLU A 54 7.635 -5.547 3.087 1.00 74.30 C ATOM 858 C GLU A 54 6.808 -5.676 1.850 1.00 11.43 C ATOM 859 O GLU A 54 6.245 -6.726 1.596 1.00 51.31 O ATOM 860 CB GLU A 54 6.774 -4.992 4.199 1.00 43.42 C ATOM 861 CG GLU A 54 7.486 -4.849 5.504 1.00 34.22 C ATOM 862 CD GLU A 54 6.592 -4.301 6.574 1.00 2.15 C ATOM 863 OE1 GLU A 54 6.095 -3.179 6.410 1.00 35.44 O ATOM 864 OE2 GLU A 54 6.441 -4.954 7.622 1.00 73.23 O ATOM 0 H GLU A 54 8.752 -3.779 3.232 1.00 31.13 H new ATOM 0 HA GLU A 54 8.004 -6.525 3.396 1.00 74.30 H new ATOM 0 HB2 GLU A 54 6.392 -4.017 3.897 1.00 43.42 H new ATOM 0 HB3 GLU A 54 5.911 -5.644 4.337 1.00 43.42 H new ATOM 0 HG2 GLU A 54 7.871 -5.820 5.815 1.00 34.22 H new ATOM 0 HG3 GLU A 54 8.346 -4.191 5.378 1.00 34.22 H new ATOM 871 N PHE A 55 6.731 -4.601 1.069 1.00 4.41 N ATOM 872 CA PHE A 55 5.998 -4.660 -0.169 1.00 33.43 C ATOM 873 C PHE A 55 6.635 -5.665 -1.106 1.00 52.53 C ATOM 874 O PHE A 55 5.944 -6.383 -1.823 1.00 75.51 O ATOM 875 CB PHE A 55 5.858 -3.295 -0.863 1.00 11.23 C ATOM 876 CG PHE A 55 5.158 -3.436 -2.189 1.00 11.55 C ATOM 877 CD1 PHE A 55 3.803 -3.700 -2.236 1.00 63.23 C ATOM 878 CD2 PHE A 55 5.869 -3.368 -3.382 1.00 42.05 C ATOM 879 CE1 PHE A 55 3.164 -3.885 -3.440 1.00 20.23 C ATOM 880 CE2 PHE A 55 5.236 -3.562 -4.591 1.00 74.04 C ATOM 881 CZ PHE A 55 3.883 -3.820 -4.623 1.00 1.41 C ATOM 0 H PHE A 55 7.162 -3.700 1.275 1.00 4.41 H new ATOM 0 HA PHE A 55 4.987 -4.980 0.084 1.00 33.43 H new ATOM 0 HB2 PHE A 55 5.299 -2.613 -0.223 1.00 11.23 H new ATOM 0 HB3 PHE A 55 6.844 -2.856 -1.013 1.00 11.23 H new ATOM 0 HD1 PHE A 55 3.239 -3.762 -1.317 1.00 63.23 H new ATOM 0 HD2 PHE A 55 6.929 -3.161 -3.361 1.00 42.05 H new ATOM 0 HE1 PHE A 55 2.102 -4.081 -3.463 1.00 20.23 H new ATOM 0 HE2 PHE A 55 5.799 -3.512 -5.511 1.00 74.04 H new ATOM 0 HZ PHE A 55 3.383 -3.971 -5.569 1.00 1.41 H new ATOM 891 N HIS A 56 7.948 -5.723 -1.082 1.00 12.40 N ATOM 892 CA HIS A 56 8.674 -6.661 -1.908 1.00 11.12 C ATOM 893 C HIS A 56 8.308 -8.110 -1.508 1.00 25.11 C ATOM 894 O HIS A 56 8.117 -8.968 -2.371 1.00 20.23 O ATOM 895 CB HIS A 56 10.183 -6.406 -1.794 1.00 13.54 C ATOM 896 CG HIS A 56 11.024 -7.226 -2.721 1.00 31.34 C ATOM 897 ND1 HIS A 56 11.865 -8.221 -2.297 1.00 73.44 N ATOM 898 CD2 HIS A 56 11.168 -7.166 -4.063 1.00 25.42 C ATOM 899 CE1 HIS A 56 12.489 -8.737 -3.332 1.00 35.23 C ATOM 900 NE2 HIS A 56 12.084 -8.113 -4.417 1.00 51.23 N ATOM 0 H HIS A 56 8.536 -5.129 -0.497 1.00 12.40 H new ATOM 0 HA HIS A 56 8.392 -6.521 -2.951 1.00 11.12 H new ATOM 0 HB2 HIS A 56 10.376 -5.351 -1.987 1.00 13.54 H new ATOM 0 HB3 HIS A 56 10.496 -6.605 -0.769 1.00 13.54 H new ATOM 0 HD2 HIS A 56 10.653 -6.493 -4.732 1.00 25.42 H new ATOM 0 HE1 HIS A 56 13.212 -9.538 -3.298 1.00 35.23 H new ATOM 0 HE2 HIS A 56 12.402 -8.306 -5.367 1.00 51.23 H new ATOM 909 N ALA A 57 8.181 -8.353 -0.202 1.00 44.03 N ATOM 910 CA ALA A 57 7.784 -9.671 0.313 1.00 0.32 C ATOM 911 C ALA A 57 6.312 -9.961 -0.026 1.00 45.30 C ATOM 912 O ALA A 57 5.964 -11.062 -0.463 1.00 54.33 O ATOM 913 CB ALA A 57 8.015 -9.743 1.815 1.00 34.05 C ATOM 0 H ALA A 57 8.347 -7.654 0.522 1.00 44.03 H new ATOM 0 HA ALA A 57 8.400 -10.432 -0.166 1.00 0.32 H new ATOM 0 HB1 ALA A 57 7.716 -10.725 2.182 1.00 34.05 H new ATOM 0 HB2 ALA A 57 9.072 -9.581 2.029 1.00 34.05 H new ATOM 0 HB3 ALA A 57 7.423 -8.974 2.311 1.00 34.05 H new ATOM 919 N LEU A 58 5.476 -8.957 0.169 1.00 12.21 N ATOM 920 CA LEU A 58 4.040 -8.995 -0.150 1.00 4.30 C ATOM 921 C LEU A 58 3.820 -9.336 -1.609 1.00 3.41 C ATOM 922 O LEU A 58 3.027 -10.221 -1.948 1.00 10.31 O ATOM 923 CB LEU A 58 3.455 -7.611 0.178 1.00 74.44 C ATOM 924 CG LEU A 58 2.068 -7.223 -0.361 1.00 63.14 C ATOM 925 CD1 LEU A 58 0.978 -8.205 0.052 1.00 13.23 C ATOM 926 CD2 LEU A 58 1.735 -5.855 0.155 1.00 51.14 C ATOM 0 H LEU A 58 5.774 -8.065 0.563 1.00 12.21 H new ATOM 0 HA LEU A 58 3.544 -9.767 0.438 1.00 4.30 H new ATOM 0 HB2 LEU A 58 3.419 -7.522 1.264 1.00 74.44 H new ATOM 0 HB3 LEU A 58 4.164 -6.865 -0.180 1.00 74.44 H new ATOM 0 HG LEU A 58 2.108 -7.241 -1.450 1.00 63.14 H new ATOM 0 HD11 LEU A 58 0.021 -7.880 -0.357 1.00 13.23 H new ATOM 0 HD12 LEU A 58 1.218 -9.197 -0.331 1.00 13.23 H new ATOM 0 HD13 LEU A 58 0.914 -8.241 1.140 1.00 13.23 H new ATOM 0 HD21 LEU A 58 0.754 -5.556 -0.214 1.00 51.14 H new ATOM 0 HD22 LEU A 58 1.724 -5.870 1.245 1.00 51.14 H new ATOM 0 HD23 LEU A 58 2.485 -5.143 -0.190 1.00 51.14 H new ATOM 938 N HIS A 59 4.547 -8.658 -2.464 1.00 72.12 N ATOM 939 CA HIS A 59 4.443 -8.857 -3.887 1.00 33.44 C ATOM 940 C HIS A 59 4.844 -10.301 -4.225 1.00 65.13 C ATOM 941 O HIS A 59 4.244 -10.916 -5.085 1.00 72.04 O ATOM 942 CB HIS A 59 5.344 -7.844 -4.622 1.00 33.13 C ATOM 943 CG HIS A 59 5.169 -7.783 -6.118 1.00 20.40 C ATOM 944 ND1 HIS A 59 4.773 -6.636 -6.772 1.00 54.43 N ATOM 945 CD2 HIS A 59 5.365 -8.706 -7.086 1.00 4.10 C ATOM 946 CE1 HIS A 59 4.734 -6.862 -8.065 1.00 4.54 C ATOM 947 NE2 HIS A 59 5.087 -8.103 -8.279 1.00 74.13 N ATOM 0 H HIS A 59 5.229 -7.951 -2.190 1.00 72.12 H new ATOM 0 HA HIS A 59 3.416 -8.695 -4.213 1.00 33.44 H new ATOM 0 HB2 HIS A 59 5.155 -6.852 -4.211 1.00 33.13 H new ATOM 0 HB3 HIS A 59 6.384 -8.086 -4.405 1.00 33.13 H new ATOM 0 HD2 HIS A 59 5.682 -9.728 -6.943 1.00 4.10 H new ATOM 0 HE1 HIS A 59 4.457 -6.145 -8.823 1.00 4.54 H new ATOM 0 HE2 HIS A 59 5.145 -8.550 -9.194 1.00 74.13 H new ATOM 956 N LYS A 60 5.836 -10.834 -3.513 1.00 12.55 N ATOM 957 CA LYS A 60 6.277 -12.214 -3.726 1.00 74.21 C ATOM 958 C LYS A 60 5.250 -13.230 -3.267 1.00 74.14 C ATOM 959 O LYS A 60 5.183 -14.336 -3.815 1.00 13.33 O ATOM 960 CB LYS A 60 7.629 -12.510 -3.061 1.00 33.23 C ATOM 961 CG LYS A 60 8.820 -11.809 -3.689 1.00 54.20 C ATOM 962 CD LYS A 60 8.996 -12.192 -5.163 1.00 33.44 C ATOM 963 CE LYS A 60 9.215 -13.690 -5.364 1.00 33.42 C ATOM 964 NZ LYS A 60 10.428 -14.178 -4.655 1.00 4.43 N ATOM 0 H LYS A 60 6.349 -10.335 -2.786 1.00 12.55 H new ATOM 0 HA LYS A 60 6.397 -12.311 -4.805 1.00 74.21 H new ATOM 0 HB2 LYS A 60 7.571 -12.224 -2.011 1.00 33.23 H new ATOM 0 HB3 LYS A 60 7.803 -13.586 -3.089 1.00 33.23 H new ATOM 0 HG2 LYS A 60 8.691 -10.730 -3.607 1.00 54.20 H new ATOM 0 HG3 LYS A 60 9.724 -12.065 -3.137 1.00 54.20 H new ATOM 0 HD2 LYS A 60 8.114 -11.880 -5.722 1.00 33.44 H new ATOM 0 HD3 LYS A 60 9.845 -11.647 -5.576 1.00 33.44 H new ATOM 0 HE2 LYS A 60 8.342 -14.235 -5.005 1.00 33.42 H new ATOM 0 HE3 LYS A 60 9.308 -13.903 -6.429 1.00 33.42 H new ATOM 0 HZ1 LYS A 60 10.606 -15.170 -4.913 1.00 4.43 H new ATOM 0 HZ2 LYS A 60 11.247 -13.597 -4.928 1.00 4.43 H new ATOM 0 HZ3 LYS A 60 10.281 -14.109 -3.628 1.00 4.43 H new ATOM 978 N ARG A 61 4.443 -12.872 -2.290 1.00 2.22 N ATOM 979 CA ARG A 61 3.469 -13.805 -1.774 1.00 13.51 C ATOM 980 C ARG A 61 2.326 -13.949 -2.763 1.00 0.43 C ATOM 981 O ARG A 61 1.884 -15.061 -3.068 1.00 34.34 O ATOM 982 CB ARG A 61 2.926 -13.375 -0.392 1.00 73.44 C ATOM 983 CG ARG A 61 2.111 -14.475 0.286 1.00 74.12 C ATOM 984 CD ARG A 61 1.566 -14.076 1.656 1.00 41.55 C ATOM 985 NE ARG A 61 1.060 -15.271 2.368 1.00 31.41 N ATOM 986 CZ ARG A 61 0.263 -15.297 3.448 1.00 13.24 C ATOM 987 NH1 ARG A 61 -0.339 -14.210 3.896 1.00 70.33 N ATOM 988 NH2 ARG A 61 0.022 -16.452 4.037 1.00 3.11 N ATOM 0 H ARG A 61 4.442 -11.955 -1.844 1.00 2.22 H new ATOM 0 HA ARG A 61 3.967 -14.766 -1.641 1.00 13.51 H new ATOM 0 HB2 ARG A 61 3.760 -13.097 0.252 1.00 73.44 H new ATOM 0 HB3 ARG A 61 2.304 -12.487 -0.510 1.00 73.44 H new ATOM 0 HG2 ARG A 61 1.278 -14.750 -0.361 1.00 74.12 H new ATOM 0 HG3 ARG A 61 2.735 -15.362 0.397 1.00 74.12 H new ATOM 0 HD2 ARG A 61 2.350 -13.598 2.243 1.00 41.55 H new ATOM 0 HD3 ARG A 61 0.765 -13.346 1.539 1.00 41.55 H new ATOM 0 HE ARG A 61 1.349 -16.176 1.997 1.00 31.41 H new ATOM 0 HH11 ARG A 61 -0.204 -13.319 3.419 1.00 70.33 H new ATOM 0 HH12 ARG A 61 -0.939 -14.262 4.719 1.00 70.33 H new ATOM 0 HH21 ARG A 61 0.439 -17.308 3.671 1.00 3.11 H new ATOM 0 HH22 ARG A 61 -0.581 -16.489 4.859 1.00 3.11 H new ATOM 1002 N ILE A 62 1.885 -12.831 -3.297 1.00 62.52 N ATOM 1003 CA ILE A 62 0.755 -12.823 -4.193 1.00 1.12 C ATOM 1004 C ILE A 62 1.098 -12.990 -5.657 1.00 73.34 C ATOM 1005 O ILE A 62 0.201 -13.232 -6.451 1.00 2.12 O ATOM 1006 CB ILE A 62 -0.106 -11.578 -4.049 1.00 75.20 C ATOM 1007 CG1 ILE A 62 0.708 -10.304 -4.272 1.00 14.43 C ATOM 1008 CG2 ILE A 62 -0.809 -11.567 -2.720 1.00 2.22 C ATOM 1009 CD1 ILE A 62 -0.134 -9.064 -4.247 1.00 64.41 C ATOM 0 H ILE A 62 2.295 -11.913 -3.124 1.00 62.52 H new ATOM 0 HA ILE A 62 0.198 -13.705 -3.877 1.00 1.12 H new ATOM 0 HB ILE A 62 -0.869 -11.605 -4.827 1.00 75.20 H new ATOM 0 HG12 ILE A 62 1.477 -10.231 -3.503 1.00 14.43 H new ATOM 0 HG13 ILE A 62 1.221 -10.370 -5.231 1.00 14.43 H new ATOM 0 HG21 ILE A 62 -1.419 -10.667 -2.639 1.00 2.22 H new ATOM 0 HG22 ILE A 62 -1.447 -12.447 -2.639 1.00 2.22 H new ATOM 0 HG23 ILE A 62 -0.071 -11.579 -1.918 1.00 2.22 H new ATOM 0 HD11 ILE A 62 0.498 -8.191 -4.411 1.00 64.41 H new ATOM 0 HD12 ILE A 62 -0.887 -9.119 -5.033 1.00 64.41 H new ATOM 0 HD13 ILE A 62 -0.627 -8.978 -3.279 1.00 64.41 H new ATOM 1021 N LYS A 63 2.370 -12.873 -6.028 1.00 71.35 N ATOM 1022 CA LYS A 63 2.743 -12.962 -7.451 1.00 73.41 C ATOM 1023 C LYS A 63 2.368 -14.307 -8.052 1.00 14.31 C ATOM 1024 O LYS A 63 2.081 -14.406 -9.238 1.00 12.33 O ATOM 1025 CB LYS A 63 4.237 -12.568 -7.707 1.00 11.03 C ATOM 1026 CG LYS A 63 5.324 -13.459 -7.060 1.00 43.13 C ATOM 1027 CD LYS A 63 5.551 -14.786 -7.795 1.00 53.42 C ATOM 1028 CE LYS A 63 6.107 -14.567 -9.206 1.00 20.42 C ATOM 1029 NZ LYS A 63 6.342 -15.844 -9.922 1.00 70.31 N ATOM 0 H LYS A 63 3.148 -12.720 -5.387 1.00 71.35 H new ATOM 0 HA LYS A 63 2.151 -12.216 -7.981 1.00 73.41 H new ATOM 0 HB2 LYS A 63 4.404 -12.559 -8.784 1.00 11.03 H new ATOM 0 HB3 LYS A 63 4.383 -11.547 -7.354 1.00 11.03 H new ATOM 0 HG2 LYS A 63 6.263 -12.906 -7.028 1.00 43.13 H new ATOM 0 HG3 LYS A 63 5.043 -13.669 -6.028 1.00 43.13 H new ATOM 0 HD2 LYS A 63 6.243 -15.404 -7.223 1.00 53.42 H new ATOM 0 HD3 LYS A 63 4.610 -15.333 -7.856 1.00 53.42 H new ATOM 0 HE2 LYS A 63 5.410 -13.955 -9.778 1.00 20.42 H new ATOM 0 HE3 LYS A 63 7.042 -14.011 -9.143 1.00 20.42 H new ATOM 0 HZ1 LYS A 63 6.718 -15.646 -10.871 1.00 70.31 H new ATOM 0 HZ2 LYS A 63 7.028 -16.418 -9.391 1.00 70.31 H new ATOM 0 HZ3 LYS A 63 5.446 -16.365 -10.006 1.00 70.31 H new ATOM 1043 N LYS A 64 2.377 -15.334 -7.227 1.00 72.32 N ATOM 1044 CA LYS A 64 1.976 -16.662 -7.653 1.00 13.30 C ATOM 1045 C LYS A 64 0.519 -16.938 -7.231 1.00 32.23 C ATOM 1046 O LYS A 64 -0.121 -17.886 -7.704 1.00 42.34 O ATOM 1047 CB LYS A 64 2.920 -17.710 -7.043 1.00 40.32 C ATOM 1048 CG LYS A 64 2.638 -19.131 -7.493 1.00 32.34 C ATOM 1049 CD LYS A 64 3.586 -20.124 -6.873 1.00 2.50 C ATOM 1050 CE LYS A 64 3.290 -21.530 -7.365 1.00 44.43 C ATOM 1051 NZ LYS A 64 1.908 -21.958 -7.038 1.00 42.24 N ATOM 0 H LYS A 64 2.660 -15.274 -6.249 1.00 72.32 H new ATOM 0 HA LYS A 64 2.037 -16.723 -8.740 1.00 13.30 H new ATOM 0 HB2 LYS A 64 3.947 -17.454 -7.304 1.00 40.32 H new ATOM 0 HB3 LYS A 64 2.846 -17.662 -5.957 1.00 40.32 H new ATOM 0 HG2 LYS A 64 1.614 -19.397 -7.231 1.00 32.34 H new ATOM 0 HG3 LYS A 64 2.714 -19.188 -8.579 1.00 32.34 H new ATOM 0 HD2 LYS A 64 4.613 -19.856 -7.120 1.00 2.50 H new ATOM 0 HD3 LYS A 64 3.499 -20.088 -5.787 1.00 2.50 H new ATOM 0 HE2 LYS A 64 3.436 -21.574 -8.444 1.00 44.43 H new ATOM 0 HE3 LYS A 64 4.000 -22.226 -6.918 1.00 44.43 H new ATOM 0 HZ1 LYS A 64 1.817 -22.983 -7.189 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 1.702 -21.735 -6.043 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 1.235 -21.456 -7.652 1.00 42.24 H new ATOM 1065 N LEU A 65 -0.003 -16.089 -6.377 1.00 12.42 N ATOM 1066 CA LEU A 65 -1.327 -16.281 -5.819 1.00 63.21 C ATOM 1067 C LEU A 65 -2.383 -15.721 -6.768 1.00 32.13 C ATOM 1068 O LEU A 65 -3.321 -16.430 -7.140 1.00 44.21 O ATOM 1069 CB LEU A 65 -1.389 -15.651 -4.398 1.00 43.04 C ATOM 1070 CG LEU A 65 -2.625 -15.936 -3.506 1.00 10.13 C ATOM 1071 CD1 LEU A 65 -2.324 -15.517 -2.077 1.00 72.25 C ATOM 1072 CD2 LEU A 65 -3.848 -15.168 -3.980 1.00 3.34 C ATOM 0 H LEU A 65 0.473 -15.249 -6.049 1.00 12.42 H new ATOM 0 HA LEU A 65 -1.541 -17.344 -5.709 1.00 63.21 H new ATOM 0 HB2 LEU A 65 -0.505 -15.981 -3.852 1.00 43.04 H new ATOM 0 HB3 LEU A 65 -1.307 -14.570 -4.513 1.00 43.04 H new ATOM 0 HG LEU A 65 -2.836 -17.004 -3.565 1.00 10.13 H new ATOM 0 HD11 LEU A 65 -3.192 -15.717 -1.449 1.00 72.25 H new ATOM 0 HD12 LEU A 65 -1.469 -16.081 -1.705 1.00 72.25 H new ATOM 0 HD13 LEU A 65 -2.095 -14.452 -2.051 1.00 72.25 H new ATOM 0 HD21 LEU A 65 -4.694 -15.394 -3.330 1.00 3.34 H new ATOM 0 HD22 LEU A 65 -3.641 -14.098 -3.948 1.00 3.34 H new ATOM 0 HD23 LEU A 65 -4.088 -15.461 -5.002 1.00 3.34 H new ATOM 1084 N TYR A 66 -2.227 -14.478 -7.190 1.00 11.42 N ATOM 1085 CA TYR A 66 -3.188 -13.907 -8.101 1.00 5.43 C ATOM 1086 C TYR A 66 -2.488 -13.147 -9.216 1.00 51.23 C ATOM 1087 O TYR A 66 -1.256 -13.178 -9.299 1.00 62.40 O ATOM 1088 CB TYR A 66 -4.286 -13.075 -7.372 1.00 22.01 C ATOM 1089 CG TYR A 66 -3.940 -11.723 -6.796 1.00 50.52 C ATOM 1090 CD1 TYR A 66 -3.468 -11.608 -5.511 1.00 5.30 C ATOM 1091 CD2 TYR A 66 -4.165 -10.559 -7.514 1.00 15.55 C ATOM 1092 CE1 TYR A 66 -3.216 -10.382 -4.956 1.00 11.23 C ATOM 1093 CE2 TYR A 66 -3.923 -9.326 -6.959 1.00 65.53 C ATOM 1094 CZ TYR A 66 -3.448 -9.246 -5.675 1.00 10.53 C ATOM 1095 OH TYR A 66 -3.208 -8.020 -5.101 1.00 44.21 O ATOM 0 H TYR A 66 -1.460 -13.861 -6.921 1.00 11.42 H new ATOM 0 HA TYR A 66 -3.731 -14.727 -8.571 1.00 5.43 H new ATOM 0 HB2 TYR A 66 -5.105 -12.929 -8.076 1.00 22.01 H new ATOM 0 HB3 TYR A 66 -4.671 -13.687 -6.557 1.00 22.01 H new ATOM 0 HD1 TYR A 66 -3.293 -12.500 -4.928 1.00 5.30 H new ATOM 0 HD2 TYR A 66 -4.537 -10.622 -8.526 1.00 15.55 H new ATOM 0 HE1 TYR A 66 -2.833 -10.314 -3.948 1.00 11.23 H new ATOM 0 HE2 TYR A 66 -4.105 -8.427 -7.529 1.00 65.53 H new ATOM 0 HH TYR A 66 -3.990 -7.443 -5.224 1.00 44.21 H new ATOM 1105 N LYS A 67 -3.251 -12.531 -10.103 1.00 32.12 N ATOM 1106 CA LYS A 67 -2.665 -11.781 -11.211 1.00 15.03 C ATOM 1107 C LYS A 67 -2.001 -10.518 -10.722 1.00 15.43 C ATOM 1108 O LYS A 67 -2.655 -9.619 -10.196 1.00 42.14 O ATOM 1109 CB LYS A 67 -3.682 -11.489 -12.305 1.00 52.45 C ATOM 1110 CG LYS A 67 -4.275 -12.745 -12.915 1.00 44.15 C ATOM 1111 CD LYS A 67 -5.131 -12.452 -14.135 1.00 62.31 C ATOM 1112 CE LYS A 67 -6.314 -11.556 -13.827 1.00 13.42 C ATOM 1113 NZ LYS A 67 -7.157 -11.358 -15.015 1.00 64.22 N ATOM 0 H LYS A 67 -4.271 -12.532 -10.082 1.00 32.12 H new ATOM 0 HA LYS A 67 -1.895 -12.412 -11.656 1.00 15.03 H new ATOM 0 HB2 LYS A 67 -4.485 -10.878 -11.893 1.00 52.45 H new ATOM 0 HB3 LYS A 67 -3.205 -10.901 -13.089 1.00 52.45 H new ATOM 0 HG2 LYS A 67 -3.470 -13.424 -13.195 1.00 44.15 H new ATOM 0 HG3 LYS A 67 -4.879 -13.258 -12.167 1.00 44.15 H new ATOM 0 HD2 LYS A 67 -4.514 -11.980 -14.900 1.00 62.31 H new ATOM 0 HD3 LYS A 67 -5.493 -13.392 -14.552 1.00 62.31 H new ATOM 0 HE2 LYS A 67 -6.908 -11.997 -13.026 1.00 13.42 H new ATOM 0 HE3 LYS A 67 -5.958 -10.591 -13.466 1.00 13.42 H new ATOM 0 HZ1 LYS A 67 -7.958 -10.741 -14.773 1.00 64.22 H new ATOM 0 HZ2 LYS A 67 -6.595 -10.916 -15.770 1.00 64.22 H new ATOM 0 HZ3 LYS A 67 -7.515 -12.277 -15.344 1.00 64.22 H new ATOM 1127 N VAL A 68 -0.704 -10.472 -10.899 1.00 64.15 N ATOM 1128 CA VAL A 68 0.148 -9.416 -10.394 1.00 31.12 C ATOM 1129 C VAL A 68 1.248 -9.149 -11.444 1.00 41.25 C ATOM 1130 O VAL A 68 1.788 -10.105 -12.012 1.00 63.35 O ATOM 1131 CB VAL A 68 0.833 -9.890 -9.050 1.00 54.04 C ATOM 1132 CG1 VAL A 68 1.722 -8.830 -8.453 1.00 30.12 C ATOM 1133 CG2 VAL A 68 -0.193 -10.341 -8.019 1.00 4.32 C ATOM 0 H VAL A 68 -0.193 -11.189 -11.414 1.00 64.15 H new ATOM 0 HA VAL A 68 -0.438 -8.516 -10.206 1.00 31.12 H new ATOM 0 HB VAL A 68 1.456 -10.743 -9.319 1.00 54.04 H new ATOM 0 HG11 VAL A 68 2.168 -9.206 -7.532 1.00 30.12 H new ATOM 0 HG12 VAL A 68 2.511 -8.576 -9.161 1.00 30.12 H new ATOM 0 HG13 VAL A 68 1.131 -7.941 -8.234 1.00 30.12 H new ATOM 0 HG21 VAL A 68 0.319 -10.659 -7.111 1.00 4.32 H new ATOM 0 HG22 VAL A 68 -0.864 -9.514 -7.787 1.00 4.32 H new ATOM 0 HG23 VAL A 68 -0.770 -11.174 -8.420 1.00 4.32 H new ATOM 1143 N PRO A 69 1.587 -7.867 -11.743 1.00 43.45 N ATOM 1144 CA PRO A 69 2.645 -7.536 -12.697 1.00 45.14 C ATOM 1145 C PRO A 69 4.034 -7.693 -12.065 1.00 2.52 C ATOM 1146 O PRO A 69 4.185 -8.317 -10.990 1.00 11.01 O ATOM 1147 CB PRO A 69 2.383 -6.047 -13.032 1.00 61.00 C ATOM 1148 CG PRO A 69 1.109 -5.700 -12.337 1.00 54.31 C ATOM 1149 CD PRO A 69 0.987 -6.662 -11.202 1.00 24.34 C ATOM 0 HA PRO A 69 2.632 -8.188 -13.570 1.00 45.14 H new ATOM 0 HB2 PRO A 69 3.203 -5.417 -12.687 1.00 61.00 H new ATOM 0 HB3 PRO A 69 2.297 -5.896 -14.108 1.00 61.00 H new ATOM 0 HG2 PRO A 69 1.128 -4.671 -11.977 1.00 54.31 H new ATOM 0 HG3 PRO A 69 0.259 -5.785 -13.014 1.00 54.31 H new ATOM 0 HD2 PRO A 69 1.513 -6.311 -10.314 1.00 24.34 H new ATOM 0 HD3 PRO A 69 -0.052 -6.820 -10.915 1.00 24.34 H new ATOM 1157 N ASP A 70 5.035 -7.128 -12.704 1.00 51.22 N ATOM 1158 CA ASP A 70 6.402 -7.210 -12.219 1.00 20.01 C ATOM 1159 C ASP A 70 6.654 -6.286 -11.043 1.00 52.25 C ATOM 1160 O ASP A 70 5.767 -5.543 -10.608 1.00 43.40 O ATOM 1161 CB ASP A 70 7.427 -6.997 -13.335 1.00 31.20 C ATOM 1162 CG ASP A 70 7.428 -8.129 -14.337 1.00 62.13 C ATOM 1163 OD1 ASP A 70 6.660 -8.067 -15.323 1.00 73.52 O ATOM 1164 OD2 ASP A 70 8.198 -9.109 -14.146 1.00 1.40 O ATOM 0 H ASP A 70 4.929 -6.600 -13.571 1.00 51.22 H new ATOM 0 HA ASP A 70 6.535 -8.229 -11.855 1.00 20.01 H new ATOM 0 HB2 ASP A 70 7.212 -6.060 -13.849 1.00 31.20 H new ATOM 0 HB3 ASP A 70 8.421 -6.900 -12.899 1.00 31.20 H new ATOM 1169 N PHE A 71 7.845 -6.338 -10.531 1.00 11.22 N ATOM 1170 CA PHE A 71 8.195 -5.639 -9.319 1.00 52.22 C ATOM 1171 C PHE A 71 9.487 -4.857 -9.497 1.00 52.42 C ATOM 1172 O PHE A 71 10.235 -5.106 -10.447 1.00 3.23 O ATOM 1173 CB PHE A 71 8.370 -6.680 -8.191 1.00 11.02 C ATOM 1174 CG PHE A 71 9.479 -7.696 -8.436 1.00 3.12 C ATOM 1175 CD1 PHE A 71 9.321 -8.716 -9.363 1.00 71.45 C ATOM 1176 CD2 PHE A 71 10.669 -7.626 -7.732 1.00 34.15 C ATOM 1177 CE1 PHE A 71 10.323 -9.638 -9.581 1.00 20.32 C ATOM 1178 CE2 PHE A 71 11.675 -8.548 -7.947 1.00 71.12 C ATOM 1179 CZ PHE A 71 11.500 -9.555 -8.873 1.00 21.55 C ATOM 0 H PHE A 71 8.613 -6.870 -10.941 1.00 11.22 H new ATOM 0 HA PHE A 71 7.404 -4.932 -9.069 1.00 52.22 H new ATOM 0 HB2 PHE A 71 8.575 -6.155 -7.258 1.00 11.02 H new ATOM 0 HB3 PHE A 71 7.429 -7.213 -8.057 1.00 11.02 H new ATOM 0 HD1 PHE A 71 8.400 -8.789 -9.922 1.00 71.45 H new ATOM 0 HD2 PHE A 71 10.813 -6.840 -7.005 1.00 34.15 H new ATOM 0 HE1 PHE A 71 10.184 -10.425 -10.307 1.00 20.32 H new ATOM 0 HE2 PHE A 71 12.598 -8.480 -7.390 1.00 71.12 H new ATOM 0 HZ PHE A 71 12.285 -10.277 -9.042 1.00 21.55 H new ATOM 1189 N PRO A 72 9.745 -3.878 -8.617 1.00 50.34 N ATOM 1190 CA PRO A 72 11.014 -3.170 -8.582 1.00 75.12 C ATOM 1191 C PRO A 72 12.025 -3.926 -7.704 1.00 11.53 C ATOM 1192 O PRO A 72 11.636 -4.761 -6.862 1.00 53.44 O ATOM 1193 CB PRO A 72 10.642 -1.834 -7.943 1.00 74.14 C ATOM 1194 CG PRO A 72 9.529 -2.163 -7.005 1.00 15.20 C ATOM 1195 CD PRO A 72 8.804 -3.351 -7.597 1.00 62.41 C ATOM 0 HA PRO A 72 11.480 -3.065 -9.562 1.00 75.12 H new ATOM 0 HB2 PRO A 72 11.490 -1.397 -7.415 1.00 74.14 H new ATOM 0 HB3 PRO A 72 10.327 -1.109 -8.694 1.00 74.14 H new ATOM 0 HG2 PRO A 72 9.915 -2.399 -6.013 1.00 15.20 H new ATOM 0 HG3 PRO A 72 8.854 -1.314 -6.891 1.00 15.20 H new ATOM 0 HD2 PRO A 72 8.579 -4.100 -6.837 1.00 62.41 H new ATOM 0 HD3 PRO A 72 7.855 -3.056 -8.045 1.00 62.41 H new ATOM 1203 N SER A 73 13.290 -3.658 -7.906 1.00 51.22 N ATOM 1204 CA SER A 73 14.332 -4.302 -7.143 1.00 21.24 C ATOM 1205 C SER A 73 14.303 -3.804 -5.696 1.00 45.32 C ATOM 1206 O SER A 73 13.881 -2.672 -5.425 1.00 31.34 O ATOM 1207 CB SER A 73 15.705 -4.025 -7.786 1.00 34.41 C ATOM 1208 OG SER A 73 16.767 -4.667 -7.083 1.00 75.32 O ATOM 0 H SER A 73 13.627 -2.991 -8.600 1.00 51.22 H new ATOM 0 HA SER A 73 14.162 -5.379 -7.142 1.00 21.24 H new ATOM 0 HB2 SER A 73 15.696 -4.368 -8.820 1.00 34.41 H new ATOM 0 HB3 SER A 73 15.884 -2.950 -7.809 1.00 34.41 H new ATOM 0 HG SER A 73 17.619 -4.467 -7.524 1.00 75.32 H new ATOM 1214 N LYS A 74 14.722 -4.654 -4.771 1.00 52.22 N ATOM 1215 CA LYS A 74 14.777 -4.269 -3.374 1.00 53.42 C ATOM 1216 C LYS A 74 15.956 -3.340 -3.115 1.00 72.15 C ATOM 1217 O LYS A 74 15.947 -2.553 -2.156 1.00 25.52 O ATOM 1218 CB LYS A 74 14.857 -5.482 -2.450 1.00 21.43 C ATOM 1219 CG LYS A 74 16.031 -6.411 -2.741 1.00 22.33 C ATOM 1220 CD LYS A 74 16.230 -7.431 -1.638 1.00 5.12 C ATOM 1221 CE LYS A 74 16.659 -6.746 -0.349 1.00 14.12 C ATOM 1222 NZ LYS A 74 16.921 -7.701 0.732 1.00 62.44 N ATOM 0 H LYS A 74 15.027 -5.608 -4.963 1.00 52.22 H new ATOM 0 HA LYS A 74 13.850 -3.740 -3.153 1.00 53.42 H new ATOM 0 HB2 LYS A 74 14.929 -5.136 -1.419 1.00 21.43 H new ATOM 0 HB3 LYS A 74 13.930 -6.049 -2.532 1.00 21.43 H new ATOM 0 HG2 LYS A 74 15.861 -6.927 -3.686 1.00 22.33 H new ATOM 0 HG3 LYS A 74 16.940 -5.821 -2.859 1.00 22.33 H new ATOM 0 HD2 LYS A 74 15.304 -7.982 -1.473 1.00 5.12 H new ATOM 0 HD3 LYS A 74 16.984 -8.158 -1.939 1.00 5.12 H new ATOM 0 HE2 LYS A 74 17.557 -6.157 -0.535 1.00 14.12 H new ATOM 0 HE3 LYS A 74 15.881 -6.050 -0.035 1.00 14.12 H new ATOM 0 HZ1 LYS A 74 17.210 -7.186 1.588 1.00 62.44 H new ATOM 0 HZ2 LYS A 74 16.058 -8.246 0.931 1.00 62.44 H new ATOM 0 HZ3 LYS A 74 17.682 -8.350 0.445 1.00 62.44 H new ATOM 1236 N ARG A 75 16.975 -3.437 -3.954 1.00 64.12 N ATOM 1237 CA ARG A 75 18.108 -2.570 -3.822 1.00 63.34 C ATOM 1238 C ARG A 75 17.843 -1.323 -4.633 1.00 51.14 C ATOM 1239 O ARG A 75 17.832 -1.351 -5.875 1.00 11.25 O ATOM 1240 CB ARG A 75 19.403 -3.246 -4.280 1.00 53.30 C ATOM 1241 CG ARG A 75 20.630 -2.371 -4.080 1.00 72.53 C ATOM 1242 CD ARG A 75 21.893 -3.034 -4.591 1.00 14.24 C ATOM 1243 NE ARG A 75 23.057 -2.156 -4.421 1.00 2.12 N ATOM 1244 CZ ARG A 75 24.088 -2.069 -5.262 1.00 3.20 C ATOM 1245 NH1 ARG A 75 24.123 -2.814 -6.367 1.00 50.23 N ATOM 1246 NH2 ARG A 75 25.084 -1.221 -4.999 1.00 53.33 N ATOM 0 H ARG A 75 17.030 -4.105 -4.723 1.00 64.12 H new ATOM 0 HA ARG A 75 18.244 -2.319 -2.770 1.00 63.34 H new ATOM 0 HB2 ARG A 75 19.534 -4.178 -3.731 1.00 53.30 H new ATOM 0 HB3 ARG A 75 19.317 -3.507 -5.335 1.00 53.30 H new ATOM 0 HG2 ARG A 75 20.485 -1.422 -4.596 1.00 72.53 H new ATOM 0 HG3 ARG A 75 20.744 -2.144 -3.020 1.00 72.53 H new ATOM 0 HD2 ARG A 75 22.058 -3.969 -4.056 1.00 14.24 H new ATOM 0 HD3 ARG A 75 21.774 -3.286 -5.645 1.00 14.24 H new ATOM 0 HE ARG A 75 23.079 -1.564 -3.591 1.00 2.12 H new ATOM 0 HH11 ARG A 75 23.358 -3.456 -6.574 1.00 50.23 H new ATOM 0 HH12 ARG A 75 24.915 -2.742 -7.006 1.00 50.23 H new ATOM 0 HH21 ARG A 75 25.054 -0.644 -4.158 1.00 53.33 H new ATOM 0 HH22 ARG A 75 25.875 -1.150 -5.638 1.00 53.33 H new ATOM 1260 N LEU A 76 17.624 -0.250 -3.944 1.00 21.23 N ATOM 1261 CA LEU A 76 17.251 0.991 -4.549 1.00 72.33 C ATOM 1262 C LEU A 76 18.014 2.082 -3.781 1.00 41.24 C ATOM 1263 O LEU A 76 18.203 1.929 -2.566 1.00 44.43 O ATOM 1264 CB LEU A 76 15.695 1.113 -4.378 1.00 72.30 C ATOM 1265 CG LEU A 76 14.894 2.182 -5.176 1.00 5.35 C ATOM 1266 CD1 LEU A 76 15.261 3.598 -4.814 1.00 10.41 C ATOM 1267 CD2 LEU A 76 14.995 1.943 -6.679 1.00 33.22 C ATOM 0 H LEU A 76 17.700 -0.209 -2.928 1.00 21.23 H new ATOM 0 HA LEU A 76 17.491 1.073 -5.609 1.00 72.33 H new ATOM 0 HB2 LEU A 76 15.267 0.141 -4.624 1.00 72.30 H new ATOM 0 HB3 LEU A 76 15.500 1.289 -3.320 1.00 72.30 H new ATOM 0 HG LEU A 76 13.851 2.061 -4.882 1.00 5.35 H new ATOM 0 HD11 LEU A 76 14.665 4.291 -5.408 1.00 10.41 H new ATOM 0 HD12 LEU A 76 15.065 3.765 -3.755 1.00 10.41 H new ATOM 0 HD13 LEU A 76 16.319 3.763 -5.017 1.00 10.41 H new ATOM 0 HD21 LEU A 76 14.425 2.707 -7.208 1.00 33.22 H new ATOM 0 HD22 LEU A 76 16.040 1.993 -6.986 1.00 33.22 H new ATOM 0 HD23 LEU A 76 14.593 0.959 -6.919 1.00 33.22 H new ATOM 1279 N PRO A 77 18.540 3.138 -4.479 1.00 63.43 N ATOM 1280 CA PRO A 77 19.239 4.279 -3.853 1.00 44.42 C ATOM 1281 C PRO A 77 18.596 4.749 -2.531 1.00 1.50 C ATOM 1282 O PRO A 77 17.367 4.648 -2.346 1.00 31.11 O ATOM 1283 CB PRO A 77 19.134 5.396 -4.917 1.00 0.10 C ATOM 1284 CG PRO A 77 18.495 4.768 -6.125 1.00 72.53 C ATOM 1285 CD PRO A 77 18.551 3.277 -5.931 1.00 33.54 C ATOM 0 HA PRO A 77 20.259 4.008 -3.581 1.00 44.42 H new ATOM 0 HB2 PRO A 77 18.535 6.229 -4.549 1.00 0.10 H new ATOM 0 HB3 PRO A 77 20.119 5.795 -5.161 1.00 0.10 H new ATOM 0 HG2 PRO A 77 17.464 5.104 -6.233 1.00 72.53 H new ATOM 0 HG3 PRO A 77 19.022 5.058 -7.034 1.00 72.53 H new ATOM 0 HD2 PRO A 77 17.699 2.777 -6.391 1.00 33.54 H new ATOM 0 HD3 PRO A 77 19.450 2.845 -6.372 1.00 33.54 H new ATOM 1293 N ASN A 78 19.425 5.287 -1.627 1.00 21.43 N ATOM 1294 CA ASN A 78 18.956 5.711 -0.289 1.00 20.04 C ATOM 1295 C ASN A 78 17.965 6.845 -0.359 1.00 63.44 C ATOM 1296 O ASN A 78 17.266 7.130 0.621 1.00 32.33 O ATOM 1297 CB ASN A 78 20.103 6.030 0.667 1.00 64.50 C ATOM 1298 CG ASN A 78 20.971 4.825 0.941 1.00 3.13 C ATOM 1299 OD1 ASN A 78 20.689 4.035 1.844 1.00 44.54 O ATOM 1300 ND2 ASN A 78 22.045 4.693 0.207 1.00 30.04 N ATOM 0 H ASN A 78 20.420 5.441 -1.791 1.00 21.43 H new ATOM 0 HA ASN A 78 18.432 4.850 0.125 1.00 20.04 H new ATOM 0 HB2 ASN A 78 20.715 6.827 0.244 1.00 64.50 H new ATOM 0 HB3 ASN A 78 19.697 6.404 1.607 1.00 64.50 H new ATOM 0 HD21 ASN A 78 22.684 3.915 0.373 1.00 30.04 H new ATOM 0 HD22 ASN A 78 22.244 5.368 -0.531 1.00 30.04 H new ATOM 1307 N TRP A 79 17.947 7.521 -1.518 1.00 72.13 N ATOM 1308 CA TRP A 79 16.906 8.474 -1.879 1.00 54.53 C ATOM 1309 C TRP A 79 16.898 9.684 -0.912 1.00 14.35 C ATOM 1310 O TRP A 79 15.895 10.351 -0.727 1.00 34.52 O ATOM 1311 CB TRP A 79 15.566 7.706 -1.836 1.00 23.24 C ATOM 1312 CG TRP A 79 14.451 8.318 -2.598 1.00 12.34 C ATOM 1313 CD1 TRP A 79 13.635 9.311 -2.199 1.00 1.23 C ATOM 1314 CD2 TRP A 79 14.012 7.943 -3.900 1.00 22.21 C ATOM 1315 NE1 TRP A 79 12.739 9.596 -3.175 1.00 14.33 N ATOM 1316 CE2 TRP A 79 12.944 8.770 -4.223 1.00 4.51 C ATOM 1317 CE3 TRP A 79 14.426 6.992 -4.826 1.00 13.44 C ATOM 1318 CZ2 TRP A 79 12.284 8.689 -5.416 1.00 44.31 C ATOM 1319 CZ3 TRP A 79 13.766 6.903 -6.027 1.00 53.41 C ATOM 1320 CH2 TRP A 79 12.703 7.751 -6.315 1.00 53.10 C ATOM 0 H TRP A 79 18.666 7.415 -2.233 1.00 72.13 H new ATOM 0 HA TRP A 79 17.081 8.883 -2.874 1.00 54.53 H new ATOM 0 HB2 TRP A 79 15.733 6.699 -2.218 1.00 23.24 H new ATOM 0 HB3 TRP A 79 15.259 7.606 -0.795 1.00 23.24 H new ATOM 0 HD1 TRP A 79 13.687 9.808 -1.241 1.00 1.23 H new ATOM 0 HE1 TRP A 79 12.023 10.320 -3.126 1.00 14.33 H new ATOM 0 HE3 TRP A 79 15.253 6.334 -4.604 1.00 13.44 H new ATOM 0 HZ2 TRP A 79 11.457 9.346 -5.641 1.00 44.31 H new ATOM 0 HZ3 TRP A 79 14.076 6.167 -6.754 1.00 53.41 H new ATOM 0 HH2 TRP A 79 12.200 7.666 -7.267 1.00 53.10 H new ATOM 1331 N ARG A 80 18.045 9.998 -0.365 1.00 12.22 N ATOM 1332 CA ARG A 80 18.151 11.080 0.604 1.00 23.03 C ATOM 1333 C ARG A 80 17.949 12.455 -0.039 1.00 24.54 C ATOM 1334 O ARG A 80 17.484 13.384 0.606 1.00 64.03 O ATOM 1335 CB ARG A 80 19.491 11.028 1.316 1.00 2.25 C ATOM 1336 CG ARG A 80 19.709 9.778 2.148 1.00 3.40 C ATOM 1337 CD ARG A 80 21.090 9.772 2.771 1.00 35.11 C ATOM 1338 NE ARG A 80 21.330 10.955 3.601 1.00 11.21 N ATOM 1339 CZ ARG A 80 22.487 11.262 4.188 1.00 32.23 C ATOM 1340 NH1 ARG A 80 23.542 10.461 4.067 1.00 55.34 N ATOM 1341 NH2 ARG A 80 22.586 12.377 4.891 1.00 12.15 N ATOM 0 H ARG A 80 18.925 9.524 -0.569 1.00 12.22 H new ATOM 0 HA ARG A 80 17.351 10.938 1.331 1.00 23.03 H new ATOM 0 HB2 ARG A 80 20.286 11.099 0.574 1.00 2.25 H new ATOM 0 HB3 ARG A 80 19.579 11.901 1.963 1.00 2.25 H new ATOM 0 HG2 ARG A 80 18.953 9.722 2.931 1.00 3.40 H new ATOM 0 HG3 ARG A 80 19.585 8.894 1.522 1.00 3.40 H new ATOM 0 HD2 ARG A 80 21.208 8.875 3.378 1.00 35.11 H new ATOM 0 HD3 ARG A 80 21.842 9.725 1.983 1.00 35.11 H new ATOM 0 HE ARG A 80 20.549 11.596 3.741 1.00 11.21 H new ATOM 0 HH11 ARG A 80 23.471 9.602 3.521 1.00 55.34 H new ATOM 0 HH12 ARG A 80 24.423 10.705 4.520 1.00 55.34 H new ATOM 0 HH21 ARG A 80 21.780 12.996 4.982 1.00 12.15 H new ATOM 0 HH22 ARG A 80 23.468 12.618 5.343 1.00 12.15 H new ATOM 1355 N THR A 81 18.302 12.575 -1.295 1.00 3.11 N ATOM 1356 CA THR A 81 18.194 13.837 -1.999 1.00 53.24 C ATOM 1357 C THR A 81 17.022 13.821 -3.020 1.00 73.35 C ATOM 1358 O THR A 81 16.476 14.871 -3.386 1.00 74.21 O ATOM 1359 CB THR A 81 19.541 14.132 -2.714 1.00 25.31 C ATOM 1360 OG1 THR A 81 20.604 14.099 -1.736 1.00 20.40 O ATOM 1361 CG2 THR A 81 19.542 15.495 -3.404 1.00 42.33 C ATOM 0 H THR A 81 18.670 11.809 -1.858 1.00 3.11 H new ATOM 0 HA THR A 81 17.980 14.626 -1.278 1.00 53.24 H new ATOM 0 HB THR A 81 19.687 13.372 -3.481 1.00 25.31 H new ATOM 0 HG1 THR A 81 21.460 14.282 -2.177 1.00 20.40 H new ATOM 0 HG21 THR A 81 20.504 15.656 -3.890 1.00 42.33 H new ATOM 0 HG22 THR A 81 18.749 15.525 -4.151 1.00 42.33 H new ATOM 0 HG23 THR A 81 19.373 16.277 -2.664 1.00 42.33 H new ATOM 1369 N ARG A 82 16.627 12.640 -3.442 1.00 43.42 N ATOM 1370 CA ARG A 82 15.631 12.501 -4.497 1.00 0.43 C ATOM 1371 C ARG A 82 14.206 12.722 -3.925 1.00 2.04 C ATOM 1372 O ARG A 82 13.959 12.464 -2.749 1.00 14.32 O ATOM 1373 CB ARG A 82 15.755 11.105 -5.121 1.00 74.00 C ATOM 1374 CG ARG A 82 15.121 10.956 -6.494 1.00 14.41 C ATOM 1375 CD ARG A 82 15.885 11.782 -7.529 1.00 62.12 C ATOM 1376 NE ARG A 82 15.334 11.642 -8.876 1.00 12.13 N ATOM 1377 CZ ARG A 82 15.655 12.408 -9.923 1.00 13.03 C ATOM 1378 NH1 ARG A 82 16.576 13.359 -9.808 1.00 30.41 N ATOM 1379 NH2 ARG A 82 15.053 12.212 -11.092 1.00 44.02 N ATOM 0 H ARG A 82 16.978 11.756 -3.073 1.00 43.42 H new ATOM 0 HA ARG A 82 15.804 13.254 -5.266 1.00 0.43 H new ATOM 0 HB2 ARG A 82 16.812 10.850 -5.196 1.00 74.00 H new ATOM 0 HB3 ARG A 82 15.299 10.380 -4.446 1.00 74.00 H new ATOM 0 HG2 ARG A 82 15.118 9.906 -6.788 1.00 14.41 H new ATOM 0 HG3 ARG A 82 14.081 11.280 -6.458 1.00 14.41 H new ATOM 0 HD2 ARG A 82 15.863 12.832 -7.239 1.00 62.12 H new ATOM 0 HD3 ARG A 82 16.931 11.474 -7.534 1.00 62.12 H new ATOM 0 HE ARG A 82 14.650 10.901 -9.029 1.00 12.13 H new ATOM 0 HH11 ARG A 82 17.045 13.509 -8.915 1.00 30.41 H new ATOM 0 HH12 ARG A 82 16.814 13.938 -10.613 1.00 30.41 H new ATOM 0 HH21 ARG A 82 14.349 11.480 -11.187 1.00 44.02 H new ATOM 0 HH22 ARG A 82 15.295 12.794 -11.894 1.00 44.02 H new ATOM 1393 N GLY A 83 13.295 13.210 -4.751 1.00 65.41 N ATOM 1394 CA GLY A 83 11.927 13.450 -4.302 1.00 13.24 C ATOM 1395 C GLY A 83 11.078 12.199 -4.364 1.00 31.22 C ATOM 1396 O GLY A 83 11.138 11.453 -5.343 1.00 61.43 O ATOM 0 H GLY A 83 13.472 13.447 -5.727 1.00 65.41 H new ATOM 0 HA2 GLY A 83 11.943 13.826 -3.279 1.00 13.24 H new ATOM 0 HA3 GLY A 83 11.474 14.225 -4.920 1.00 13.24 H new ATOM 1400 N LEU A 84 10.272 11.979 -3.335 1.00 12.12 N ATOM 1401 CA LEU A 84 9.453 10.765 -3.208 1.00 63.30 C ATOM 1402 C LEU A 84 8.391 10.583 -4.246 1.00 2.22 C ATOM 1403 O LEU A 84 7.952 9.459 -4.457 1.00 53.51 O ATOM 1404 CB LEU A 84 8.883 10.551 -1.804 1.00 2.44 C ATOM 1405 CG LEU A 84 9.811 9.896 -0.793 1.00 52.33 C ATOM 1406 CD1 LEU A 84 10.243 8.529 -1.312 1.00 14.41 C ATOM 1407 CD2 LEU A 84 11.012 10.773 -0.463 1.00 61.44 C ATOM 0 H LEU A 84 10.162 12.633 -2.560 1.00 12.12 H new ATOM 0 HA LEU A 84 10.184 9.979 -3.399 1.00 63.30 H new ATOM 0 HB2 LEU A 84 8.575 11.519 -1.409 1.00 2.44 H new ATOM 0 HB3 LEU A 84 7.984 9.940 -1.889 1.00 2.44 H new ATOM 0 HG LEU A 84 9.264 9.766 0.141 1.00 52.33 H new ATOM 0 HD11 LEU A 84 10.908 8.059 -0.588 1.00 14.41 H new ATOM 0 HD12 LEU A 84 9.364 7.901 -1.459 1.00 14.41 H new ATOM 0 HD13 LEU A 84 10.766 8.649 -2.261 1.00 14.41 H new ATOM 0 HD21 LEU A 84 11.646 10.264 0.263 1.00 61.44 H new ATOM 0 HD22 LEU A 84 11.583 10.965 -1.372 1.00 61.44 H new ATOM 0 HD23 LEU A 84 10.668 11.718 -0.044 1.00 61.44 H new ATOM 1419 N GLU A 85 8.008 11.650 -4.904 1.00 22.54 N ATOM 1420 CA GLU A 85 6.983 11.624 -5.950 1.00 42.41 C ATOM 1421 C GLU A 85 7.313 10.551 -7.017 1.00 40.03 C ATOM 1422 O GLU A 85 6.426 9.868 -7.532 1.00 72.51 O ATOM 1423 CB GLU A 85 6.916 13.016 -6.585 1.00 31.02 C ATOM 1424 CG GLU A 85 5.866 13.201 -7.659 1.00 73.02 C ATOM 1425 CD GLU A 85 5.892 14.603 -8.211 1.00 43.43 C ATOM 1426 OE1 GLU A 85 5.245 15.498 -7.627 1.00 30.51 O ATOM 1427 OE2 GLU A 85 6.593 14.843 -9.220 1.00 4.51 O ATOM 0 H GLU A 85 8.397 12.578 -4.735 1.00 22.54 H new ATOM 0 HA GLU A 85 6.017 11.364 -5.517 1.00 42.41 H new ATOM 0 HB2 GLU A 85 6.734 13.746 -5.796 1.00 31.02 H new ATOM 0 HB3 GLU A 85 7.891 13.246 -7.014 1.00 31.02 H new ATOM 0 HG2 GLU A 85 6.036 12.487 -8.465 1.00 73.02 H new ATOM 0 HG3 GLU A 85 4.880 12.988 -7.247 1.00 73.02 H new ATOM 1434 N GLN A 86 8.594 10.376 -7.281 1.00 54.11 N ATOM 1435 CA GLN A 86 9.067 9.426 -8.269 1.00 33.51 C ATOM 1436 C GLN A 86 8.946 7.975 -7.779 1.00 24.11 C ATOM 1437 O GLN A 86 8.447 7.102 -8.514 1.00 72.34 O ATOM 1438 CB GLN A 86 10.496 9.754 -8.642 1.00 42.54 C ATOM 1439 CG GLN A 86 10.641 11.127 -9.257 1.00 73.20 C ATOM 1440 CD GLN A 86 12.068 11.488 -9.544 1.00 73.44 C ATOM 1441 OE1 GLN A 86 12.902 10.624 -9.806 1.00 40.53 O ATOM 1442 NE2 GLN A 86 12.367 12.763 -9.492 1.00 32.35 N ATOM 0 H GLN A 86 9.339 10.892 -6.813 1.00 54.11 H new ATOM 0 HA GLN A 86 8.434 9.511 -9.153 1.00 33.51 H new ATOM 0 HB2 GLN A 86 11.122 9.692 -7.752 1.00 42.54 H new ATOM 0 HB3 GLN A 86 10.864 9.006 -9.344 1.00 42.54 H new ATOM 0 HG2 GLN A 86 10.068 11.168 -10.183 1.00 73.20 H new ATOM 0 HG3 GLN A 86 10.212 11.869 -8.584 1.00 73.20 H new ATOM 0 HE21 GLN A 86 11.644 13.448 -9.271 1.00 32.35 H new ATOM 0 HE22 GLN A 86 13.323 13.071 -9.673 1.00 32.35 H new ATOM 1451 N ARG A 87 9.389 7.718 -6.533 1.00 53.24 N ATOM 1452 CA ARG A 87 9.297 6.365 -5.956 1.00 44.24 C ATOM 1453 C ARG A 87 7.840 6.017 -5.804 1.00 14.35 C ATOM 1454 O ARG A 87 7.392 4.945 -6.201 1.00 32.45 O ATOM 1455 CB ARG A 87 9.988 6.266 -4.571 1.00 10.11 C ATOM 1456 CG ARG A 87 9.903 4.860 -3.965 1.00 61.35 C ATOM 1457 CD ARG A 87 10.540 4.753 -2.578 1.00 43.41 C ATOM 1458 NE ARG A 87 11.985 5.040 -2.574 1.00 51.14 N ATOM 1459 CZ ARG A 87 12.903 4.362 -1.837 1.00 35.04 C ATOM 1460 NH1 ARG A 87 12.545 3.298 -1.116 1.00 24.34 N ATOM 1461 NH2 ARG A 87 14.169 4.739 -1.847 1.00 44.22 N ATOM 0 H ARG A 87 9.807 8.416 -5.917 1.00 53.24 H new ATOM 0 HA ARG A 87 9.808 5.673 -6.625 1.00 44.24 H new ATOM 0 HB2 ARG A 87 11.035 6.551 -4.671 1.00 10.11 H new ATOM 0 HB3 ARG A 87 9.527 6.980 -3.888 1.00 10.11 H new ATOM 0 HG2 ARG A 87 8.856 4.564 -3.899 1.00 61.35 H new ATOM 0 HG3 ARG A 87 10.392 4.154 -4.636 1.00 61.35 H new ATOM 0 HD2 ARG A 87 10.038 5.445 -1.901 1.00 43.41 H new ATOM 0 HD3 ARG A 87 10.375 3.749 -2.187 1.00 43.41 H new ATOM 0 HE ARG A 87 12.319 5.801 -3.166 1.00 51.14 H new ATOM 0 HH11 ARG A 87 11.574 2.986 -1.115 1.00 24.34 H new ATOM 0 HH12 ARG A 87 13.243 2.796 -0.566 1.00 24.34 H new ATOM 0 HH21 ARG A 87 14.458 5.540 -2.408 1.00 44.22 H new ATOM 0 HH22 ARG A 87 14.857 4.229 -1.293 1.00 44.22 H new ATOM 1475 N ARG A 88 7.118 6.960 -5.232 1.00 5.24 N ATOM 1476 CA ARG A 88 5.700 6.874 -5.050 1.00 20.34 C ATOM 1477 C ARG A 88 4.972 6.495 -6.329 1.00 63.04 C ATOM 1478 O ARG A 88 4.217 5.549 -6.323 1.00 13.54 O ATOM 1479 CB ARG A 88 5.161 8.185 -4.401 1.00 62.44 C ATOM 1480 CG ARG A 88 3.657 8.367 -4.453 1.00 43.12 C ATOM 1481 CD ARG A 88 3.219 9.092 -5.708 1.00 33.32 C ATOM 1482 NE ARG A 88 1.775 9.113 -5.862 1.00 41.41 N ATOM 1483 CZ ARG A 88 1.086 10.095 -6.411 1.00 32.52 C ATOM 1484 NH1 ARG A 88 1.679 11.247 -6.706 1.00 50.33 N ATOM 1485 NH2 ARG A 88 -0.204 9.927 -6.643 1.00 33.52 N ATOM 0 H ARG A 88 7.521 7.826 -4.875 1.00 5.24 H new ATOM 0 HA ARG A 88 5.493 6.058 -4.358 1.00 20.34 H new ATOM 0 HB2 ARG A 88 5.477 8.210 -3.358 1.00 62.44 H new ATOM 0 HB3 ARG A 88 5.630 9.035 -4.897 1.00 62.44 H new ATOM 0 HG2 ARG A 88 3.172 7.392 -4.409 1.00 43.12 H new ATOM 0 HG3 ARG A 88 3.329 8.927 -3.577 1.00 43.12 H new ATOM 0 HD2 ARG A 88 3.593 10.115 -5.682 1.00 33.32 H new ATOM 0 HD3 ARG A 88 3.667 8.610 -6.577 1.00 33.32 H new ATOM 0 HE ARG A 88 1.253 8.306 -5.519 1.00 41.41 H new ATOM 0 HH11 ARG A 88 2.671 11.375 -6.508 1.00 50.33 H new ATOM 0 HH12 ARG A 88 1.142 12.003 -7.130 1.00 50.33 H new ATOM 0 HH21 ARG A 88 -0.656 9.046 -6.398 1.00 33.52 H new ATOM 0 HH22 ARG A 88 -0.748 10.678 -7.067 1.00 33.52 H new ATOM 1499 N GLN A 89 5.228 7.212 -7.422 1.00 22.52 N ATOM 1500 CA GLN A 89 4.540 6.940 -8.683 1.00 50.41 C ATOM 1501 C GLN A 89 4.766 5.500 -9.145 1.00 13.13 C ATOM 1502 O GLN A 89 3.821 4.818 -9.540 1.00 22.54 O ATOM 1503 CB GLN A 89 4.973 7.907 -9.782 1.00 24.42 C ATOM 1504 CG GLN A 89 4.218 7.705 -11.090 1.00 31.31 C ATOM 1505 CD GLN A 89 4.744 8.553 -12.223 1.00 53.32 C ATOM 1506 OE1 GLN A 89 5.935 8.870 -12.278 1.00 73.43 O ATOM 1507 NE2 GLN A 89 3.880 8.915 -13.136 1.00 24.33 N ATOM 0 H GLN A 89 5.900 7.978 -7.461 1.00 22.52 H new ATOM 0 HA GLN A 89 3.476 7.084 -8.495 1.00 50.41 H new ATOM 0 HB2 GLN A 89 4.822 8.930 -9.437 1.00 24.42 H new ATOM 0 HB3 GLN A 89 6.041 7.786 -9.964 1.00 24.42 H new ATOM 0 HG2 GLN A 89 4.275 6.655 -11.375 1.00 31.31 H new ATOM 0 HG3 GLN A 89 3.164 7.936 -10.932 1.00 31.31 H new ATOM 0 HE21 GLN A 89 2.903 8.632 -13.054 1.00 24.33 H new ATOM 0 HE22 GLN A 89 4.183 9.480 -13.929 1.00 24.33 H new ATOM 1516 N GLY A 90 6.007 5.043 -9.054 1.00 41.02 N ATOM 1517 CA GLY A 90 6.348 3.708 -9.503 1.00 11.21 C ATOM 1518 C GLY A 90 5.643 2.631 -8.711 1.00 11.11 C ATOM 1519 O GLY A 90 4.994 1.735 -9.289 1.00 44.01 O ATOM 0 H GLY A 90 6.789 5.577 -8.675 1.00 41.02 H new ATOM 0 HA2 GLY A 90 6.090 3.606 -10.557 1.00 11.21 H new ATOM 0 HA3 GLY A 90 7.426 3.566 -9.423 1.00 11.21 H new ATOM 1523 N LEU A 91 5.739 2.722 -7.402 1.00 50.22 N ATOM 1524 CA LEU A 91 5.116 1.750 -6.522 1.00 54.15 C ATOM 1525 C LEU A 91 3.606 1.838 -6.564 1.00 35.35 C ATOM 1526 O LEU A 91 2.934 0.815 -6.564 1.00 51.41 O ATOM 1527 CB LEU A 91 5.646 1.835 -5.070 1.00 21.34 C ATOM 1528 CG LEU A 91 7.056 1.247 -4.779 1.00 30.14 C ATOM 1529 CD1 LEU A 91 7.084 -0.248 -5.045 1.00 45.31 C ATOM 1530 CD2 LEU A 91 8.152 1.942 -5.576 1.00 45.11 C ATOM 0 H LEU A 91 6.246 3.464 -6.919 1.00 50.22 H new ATOM 0 HA LEU A 91 5.400 0.769 -6.903 1.00 54.15 H new ATOM 0 HB2 LEU A 91 5.653 2.885 -4.777 1.00 21.34 H new ATOM 0 HB3 LEU A 91 4.931 1.328 -4.422 1.00 21.34 H new ATOM 0 HG LEU A 91 7.257 1.426 -3.723 1.00 30.14 H new ATOM 0 HD11 LEU A 91 8.080 -0.636 -4.834 1.00 45.31 H new ATOM 0 HD12 LEU A 91 6.357 -0.746 -4.403 1.00 45.31 H new ATOM 0 HD13 LEU A 91 6.834 -0.437 -6.089 1.00 45.31 H new ATOM 0 HD21 LEU A 91 9.116 1.494 -5.336 1.00 45.11 H new ATOM 0 HD22 LEU A 91 7.954 1.829 -6.642 1.00 45.11 H new ATOM 0 HD23 LEU A 91 8.171 3.002 -5.321 1.00 45.11 H new ATOM 1542 N GLU A 92 3.081 3.055 -6.638 1.00 61.42 N ATOM 1543 CA GLU A 92 1.641 3.275 -6.697 1.00 63.44 C ATOM 1544 C GLU A 92 1.080 2.635 -7.952 1.00 15.42 C ATOM 1545 O GLU A 92 0.033 1.994 -7.912 1.00 52.32 O ATOM 1546 CB GLU A 92 1.324 4.772 -6.681 1.00 32.34 C ATOM 1547 CG GLU A 92 -0.152 5.100 -6.618 1.00 14.12 C ATOM 1548 CD GLU A 92 -0.406 6.581 -6.611 1.00 50.51 C ATOM 1549 OE1 GLU A 92 -0.160 7.230 -5.585 1.00 13.22 O ATOM 1550 OE2 GLU A 92 -0.834 7.129 -7.647 1.00 64.31 O ATOM 0 H GLU A 92 3.636 3.911 -6.659 1.00 61.42 H new ATOM 0 HA GLU A 92 1.178 2.818 -5.822 1.00 63.44 H new ATOM 0 HB2 GLU A 92 1.821 5.227 -5.824 1.00 32.34 H new ATOM 0 HB3 GLU A 92 1.747 5.230 -7.575 1.00 32.34 H new ATOM 0 HG2 GLU A 92 -0.659 4.650 -7.472 1.00 14.12 H new ATOM 0 HG3 GLU A 92 -0.583 4.655 -5.721 1.00 14.12 H new ATOM 1557 N ALA A 93 1.808 2.791 -9.061 1.00 73.20 N ATOM 1558 CA ALA A 93 1.419 2.215 -10.337 1.00 2.02 C ATOM 1559 C ALA A 93 1.259 0.707 -10.222 1.00 60.12 C ATOM 1560 O ALA A 93 0.284 0.131 -10.743 1.00 62.31 O ATOM 1561 CB ALA A 93 2.431 2.565 -11.418 1.00 55.34 C ATOM 0 H ALA A 93 2.680 3.320 -9.093 1.00 73.20 H new ATOM 0 HA ALA A 93 0.456 2.640 -10.620 1.00 2.02 H new ATOM 0 HB1 ALA A 93 2.120 2.123 -12.365 1.00 55.34 H new ATOM 0 HB2 ALA A 93 2.489 3.648 -11.525 1.00 55.34 H new ATOM 0 HB3 ALA A 93 3.410 2.174 -11.140 1.00 55.34 H new ATOM 1567 N TYR A 94 2.202 0.051 -9.529 1.00 75.51 N ATOM 1568 CA TYR A 94 2.070 -1.378 -9.330 1.00 23.34 C ATOM 1569 C TYR A 94 0.956 -1.683 -8.364 1.00 53.31 C ATOM 1570 O TYR A 94 0.039 -2.366 -8.720 1.00 72.54 O ATOM 1571 CB TYR A 94 3.354 -2.087 -8.852 1.00 3.14 C ATOM 1572 CG TYR A 94 4.551 -1.975 -9.780 1.00 14.33 C ATOM 1573 CD1 TYR A 94 4.509 -2.512 -11.063 1.00 34.34 C ATOM 1574 CD2 TYR A 94 5.715 -1.342 -9.377 1.00 42.24 C ATOM 1575 CE1 TYR A 94 5.595 -2.420 -11.914 1.00 1.34 C ATOM 1576 CE2 TYR A 94 6.807 -1.247 -10.219 1.00 63.15 C ATOM 1577 CZ TYR A 94 6.740 -1.787 -11.488 1.00 64.14 C ATOM 1578 OH TYR A 94 7.829 -1.691 -12.334 1.00 52.20 O ATOM 0 H TYR A 94 3.031 0.478 -9.115 1.00 75.51 H new ATOM 0 HA TYR A 94 1.846 -1.773 -10.321 1.00 23.34 H new ATOM 0 HB2 TYR A 94 3.632 -1.680 -7.880 1.00 3.14 H new ATOM 0 HB3 TYR A 94 3.130 -3.143 -8.703 1.00 3.14 H new ATOM 0 HD1 TYR A 94 3.612 -3.010 -11.400 1.00 34.34 H new ATOM 0 HD2 TYR A 94 5.770 -0.915 -8.387 1.00 42.24 H new ATOM 0 HE1 TYR A 94 5.545 -2.842 -12.907 1.00 1.34 H new ATOM 0 HE2 TYR A 94 7.708 -0.753 -9.886 1.00 63.15 H new ATOM 0 HH TYR A 94 8.555 -1.214 -11.880 1.00 52.20 H new ATOM 1588 N ILE A 95 1.030 -1.134 -7.148 1.00 22.21 N ATOM 1589 CA ILE A 95 0.079 -1.468 -6.070 1.00 75.51 C ATOM 1590 C ILE A 95 -1.368 -1.243 -6.481 1.00 4.41 C ATOM 1591 O ILE A 95 -2.224 -2.109 -6.251 1.00 31.13 O ATOM 1592 CB ILE A 95 0.396 -0.725 -4.738 1.00 54.35 C ATOM 1593 CG1 ILE A 95 1.824 -1.056 -4.323 1.00 22.33 C ATOM 1594 CG2 ILE A 95 -0.585 -1.133 -3.626 1.00 12.34 C ATOM 1595 CD1 ILE A 95 2.238 -0.535 -2.973 1.00 40.21 C ATOM 0 H ILE A 95 1.740 -0.453 -6.879 1.00 22.21 H new ATOM 0 HA ILE A 95 0.209 -2.535 -5.888 1.00 75.51 H new ATOM 0 HB ILE A 95 0.289 0.348 -4.895 1.00 54.35 H new ATOM 0 HG12 ILE A 95 1.945 -2.139 -4.329 1.00 22.33 H new ATOM 0 HG13 ILE A 95 2.505 -0.655 -5.074 1.00 22.33 H new ATOM 0 HG21 ILE A 95 -0.338 -0.598 -2.709 1.00 12.34 H new ATOM 0 HG22 ILE A 95 -1.602 -0.884 -3.929 1.00 12.34 H new ATOM 0 HG23 ILE A 95 -0.511 -2.206 -3.451 1.00 12.34 H new ATOM 0 HD11 ILE A 95 3.270 -0.824 -2.772 1.00 40.21 H new ATOM 0 HD12 ILE A 95 2.157 0.552 -2.962 1.00 40.21 H new ATOM 0 HD13 ILE A 95 1.588 -0.955 -2.206 1.00 40.21 H new ATOM 1607 N GLN A 96 -1.638 -0.110 -7.109 1.00 54.33 N ATOM 1608 CA GLN A 96 -2.970 0.175 -7.582 1.00 72.21 C ATOM 1609 C GLN A 96 -3.356 -0.824 -8.654 1.00 13.12 C ATOM 1610 O GLN A 96 -4.459 -1.352 -8.642 1.00 62.43 O ATOM 1611 CB GLN A 96 -3.074 1.591 -8.132 1.00 33.03 C ATOM 1612 CG GLN A 96 -4.462 1.937 -8.634 1.00 4.24 C ATOM 1613 CD GLN A 96 -4.539 3.300 -9.256 1.00 35.13 C ATOM 1614 OE1 GLN A 96 -3.813 4.222 -8.883 1.00 44.40 O ATOM 1615 NE2 GLN A 96 -5.406 3.439 -10.210 1.00 51.45 N ATOM 0 H GLN A 96 -0.952 0.620 -7.299 1.00 54.33 H new ATOM 0 HA GLN A 96 -3.655 0.092 -6.738 1.00 72.21 H new ATOM 0 HB2 GLN A 96 -2.790 2.298 -7.353 1.00 33.03 H new ATOM 0 HB3 GLN A 96 -2.360 1.711 -8.947 1.00 33.03 H new ATOM 0 HG2 GLN A 96 -4.774 1.192 -9.366 1.00 4.24 H new ATOM 0 HG3 GLN A 96 -5.166 1.882 -7.804 1.00 4.24 H new ATOM 0 HE21 GLN A 96 -5.988 2.649 -10.489 1.00 51.45 H new ATOM 0 HE22 GLN A 96 -5.506 4.338 -10.682 1.00 51.45 H new ATOM 1624 N GLY A 97 -2.422 -1.091 -9.565 1.00 70.45 N ATOM 1625 CA GLY A 97 -2.660 -2.043 -10.624 1.00 33.40 C ATOM 1626 C GLY A 97 -2.968 -3.420 -10.086 1.00 52.12 C ATOM 1627 O GLY A 97 -3.993 -3.961 -10.382 1.00 2.21 O ATOM 0 H GLY A 97 -1.499 -0.658 -9.583 1.00 70.45 H new ATOM 0 HA2 GLY A 97 -3.491 -1.700 -11.240 1.00 33.40 H new ATOM 0 HA3 GLY A 97 -1.784 -2.094 -11.270 1.00 33.40 H new ATOM 1631 N ILE A 98 -2.073 -3.934 -9.259 1.00 53.13 N ATOM 1632 CA ILE A 98 -2.176 -5.270 -8.613 1.00 50.22 C ATOM 1633 C ILE A 98 -3.520 -5.420 -7.944 1.00 32.25 C ATOM 1634 O ILE A 98 -4.245 -6.400 -8.176 1.00 23.53 O ATOM 1635 CB ILE A 98 -1.045 -5.414 -7.535 1.00 11.33 C ATOM 1636 CG1 ILE A 98 0.339 -5.205 -8.137 1.00 73.24 C ATOM 1637 CG2 ILE A 98 -1.082 -6.753 -6.887 1.00 21.11 C ATOM 1638 CD1 ILE A 98 1.466 -5.215 -7.115 1.00 40.35 C ATOM 0 H ILE A 98 -1.223 -3.434 -8.999 1.00 53.13 H new ATOM 0 HA ILE A 98 -2.066 -6.043 -9.374 1.00 50.22 H new ATOM 0 HB ILE A 98 -1.232 -4.641 -6.790 1.00 11.33 H new ATOM 0 HG12 ILE A 98 0.525 -5.985 -8.875 1.00 73.24 H new ATOM 0 HG13 ILE A 98 0.353 -4.254 -8.669 1.00 73.24 H new ATOM 0 HG21 ILE A 98 -0.286 -6.820 -6.145 1.00 21.11 H new ATOM 0 HG22 ILE A 98 -2.046 -6.894 -6.398 1.00 21.11 H new ATOM 0 HG23 ILE A 98 -0.941 -7.527 -7.642 1.00 21.11 H new ATOM 0 HD11 ILE A 98 2.418 -5.060 -7.622 1.00 40.35 H new ATOM 0 HD12 ILE A 98 1.307 -4.417 -6.390 1.00 40.35 H new ATOM 0 HD13 ILE A 98 1.481 -6.175 -6.600 1.00 40.35 H new ATOM 1650 N LEU A 99 -3.868 -4.448 -7.165 1.00 52.40 N ATOM 1651 CA LEU A 99 -5.076 -4.497 -6.436 1.00 23.42 C ATOM 1652 C LEU A 99 -6.304 -4.365 -7.367 1.00 0.42 C ATOM 1653 O LEU A 99 -7.304 -5.018 -7.151 1.00 25.40 O ATOM 1654 CB LEU A 99 -5.017 -3.480 -5.261 1.00 60.22 C ATOM 1655 CG LEU A 99 -6.210 -3.402 -4.312 1.00 42.15 C ATOM 1656 CD1 LEU A 99 -5.775 -2.776 -3.002 1.00 74.04 C ATOM 1657 CD2 LEU A 99 -7.314 -2.555 -4.910 1.00 25.22 C ATOM 0 H LEU A 99 -3.317 -3.601 -7.022 1.00 52.40 H new ATOM 0 HA LEU A 99 -5.202 -5.477 -5.977 1.00 23.42 H new ATOM 0 HB2 LEU A 99 -4.133 -3.710 -4.666 1.00 60.22 H new ATOM 0 HB3 LEU A 99 -4.865 -2.488 -5.687 1.00 60.22 H new ATOM 0 HG LEU A 99 -6.583 -4.413 -4.145 1.00 42.15 H new ATOM 0 HD11 LEU A 99 -6.627 -2.720 -2.325 1.00 74.04 H new ATOM 0 HD12 LEU A 99 -4.992 -3.385 -2.550 1.00 74.04 H new ATOM 0 HD13 LEU A 99 -5.393 -1.772 -3.188 1.00 74.04 H new ATOM 0 HD21 LEU A 99 -8.155 -2.512 -4.218 1.00 25.22 H new ATOM 0 HD22 LEU A 99 -6.941 -1.547 -5.091 1.00 25.22 H new ATOM 0 HD23 LEU A 99 -7.641 -2.996 -5.852 1.00 25.22 H new ATOM 1669 N TYR A 100 -6.190 -3.574 -8.418 1.00 0.24 N ATOM 1670 CA TYR A 100 -7.301 -3.358 -9.360 1.00 63.02 C ATOM 1671 C TYR A 100 -7.412 -4.510 -10.399 1.00 11.25 C ATOM 1672 O TYR A 100 -8.477 -4.727 -10.979 1.00 51.14 O ATOM 1673 CB TYR A 100 -7.113 -1.993 -10.083 1.00 43.24 C ATOM 1674 CG TYR A 100 -8.219 -1.609 -11.053 1.00 22.21 C ATOM 1675 CD1 TYR A 100 -9.353 -0.939 -10.614 1.00 42.52 C ATOM 1676 CD2 TYR A 100 -8.118 -1.904 -12.411 1.00 23.52 C ATOM 1677 CE1 TYR A 100 -10.357 -0.580 -11.493 1.00 35.44 C ATOM 1678 CE2 TYR A 100 -9.114 -1.547 -13.296 1.00 52.14 C ATOM 1679 CZ TYR A 100 -10.232 -0.887 -12.834 1.00 72.20 C ATOM 1680 OH TYR A 100 -11.225 -0.521 -13.718 1.00 51.30 O ATOM 0 H TYR A 100 -5.339 -3.063 -8.652 1.00 0.24 H new ATOM 0 HA TYR A 100 -8.230 -3.346 -8.790 1.00 63.02 H new ATOM 0 HB2 TYR A 100 -7.027 -1.211 -9.329 1.00 43.24 H new ATOM 0 HB3 TYR A 100 -6.169 -2.017 -10.627 1.00 43.24 H new ATOM 0 HD1 TYR A 100 -9.452 -0.694 -9.567 1.00 42.52 H new ATOM 0 HD2 TYR A 100 -7.244 -2.422 -12.777 1.00 23.52 H new ATOM 0 HE1 TYR A 100 -11.234 -0.062 -11.134 1.00 35.44 H new ATOM 0 HE2 TYR A 100 -9.018 -1.783 -14.345 1.00 52.14 H new ATOM 0 HH TYR A 100 -10.981 -0.811 -14.622 1.00 51.30 H new ATOM 1690 N LEU A 101 -6.321 -5.240 -10.608 1.00 75.24 N ATOM 1691 CA LEU A 101 -6.243 -6.295 -11.639 1.00 65.30 C ATOM 1692 C LEU A 101 -7.239 -7.399 -11.480 1.00 53.14 C ATOM 1693 O LEU A 101 -8.045 -7.654 -12.378 1.00 72.04 O ATOM 1694 CB LEU A 101 -4.871 -6.968 -11.637 1.00 53.01 C ATOM 1695 CG LEU A 101 -3.687 -6.194 -12.206 1.00 5.40 C ATOM 1696 CD1 LEU A 101 -2.426 -6.996 -12.027 1.00 71.10 C ATOM 1697 CD2 LEU A 101 -3.891 -5.926 -13.678 1.00 24.52 C ATOM 0 H LEU A 101 -5.460 -5.125 -10.073 1.00 75.24 H new ATOM 0 HA LEU A 101 -6.449 -5.760 -12.566 1.00 65.30 H new ATOM 0 HB2 LEU A 101 -4.632 -7.232 -10.607 1.00 53.01 H new ATOM 0 HB3 LEU A 101 -4.957 -7.901 -12.194 1.00 53.01 H new ATOM 0 HG LEU A 101 -3.606 -5.245 -11.675 1.00 5.40 H new ATOM 0 HD11 LEU A 101 -1.581 -6.441 -12.434 1.00 71.10 H new ATOM 0 HD12 LEU A 101 -2.260 -7.182 -10.966 1.00 71.10 H new ATOM 0 HD13 LEU A 101 -2.522 -7.947 -12.551 1.00 71.10 H new ATOM 0 HD21 LEU A 101 -3.037 -5.373 -14.069 1.00 24.52 H new ATOM 0 HD22 LEU A 101 -3.985 -6.872 -14.211 1.00 24.52 H new ATOM 0 HD23 LEU A 101 -4.799 -5.339 -13.819 1.00 24.52 H new ATOM 1709 N ASN A 102 -7.213 -8.052 -10.364 1.00 2.30 N ATOM 1710 CA ASN A 102 -7.970 -9.272 -10.257 1.00 74.11 C ATOM 1711 C ASN A 102 -8.775 -9.365 -9.013 1.00 33.45 C ATOM 1712 O ASN A 102 -9.967 -9.669 -9.071 1.00 25.23 O ATOM 1713 CB ASN A 102 -7.026 -10.485 -10.377 1.00 24.02 C ATOM 1714 CG ASN A 102 -7.740 -11.837 -10.325 1.00 11.50 C ATOM 1715 OD1 ASN A 102 -8.189 -12.347 -11.340 1.00 51.35 O ATOM 1716 ND2 ASN A 102 -7.799 -12.445 -9.159 1.00 61.42 N ATOM 0 H ASN A 102 -6.693 -7.778 -9.530 1.00 2.30 H new ATOM 0 HA ASN A 102 -8.685 -9.270 -11.080 1.00 74.11 H new ATOM 0 HB2 ASN A 102 -6.475 -10.412 -11.315 1.00 24.02 H new ATOM 0 HB3 ASN A 102 -6.292 -10.442 -9.572 1.00 24.02 H new ATOM 0 HD21 ASN A 102 -8.228 -13.367 -9.086 1.00 61.42 H new ATOM 0 HD22 ASN A 102 -7.415 -11.994 -8.329 1.00 61.42 H new ATOM 1723 N GLN A 103 -8.164 -9.119 -7.880 1.00 32.41 N ATOM 1724 CA GLN A 103 -8.912 -9.366 -6.646 1.00 22.45 C ATOM 1725 C GLN A 103 -9.693 -8.201 -6.140 1.00 41.22 C ATOM 1726 O GLN A 103 -10.761 -8.388 -5.554 1.00 74.54 O ATOM 1727 CB GLN A 103 -8.081 -10.029 -5.564 1.00 51.03 C ATOM 1728 CG GLN A 103 -7.674 -11.415 -5.957 1.00 42.15 C ATOM 1729 CD GLN A 103 -7.044 -12.221 -4.837 1.00 10.25 C ATOM 1730 OE1 GLN A 103 -6.397 -11.691 -3.957 1.00 42.21 O ATOM 1731 NE2 GLN A 103 -7.252 -13.508 -4.866 1.00 12.33 N ATOM 0 H GLN A 103 -7.212 -8.770 -7.773 1.00 32.41 H new ATOM 0 HA GLN A 103 -9.669 -10.092 -6.943 1.00 22.45 H new ATOM 0 HB2 GLN A 103 -7.192 -9.429 -5.368 1.00 51.03 H new ATOM 0 HB3 GLN A 103 -8.652 -10.066 -4.636 1.00 51.03 H new ATOM 0 HG2 GLN A 103 -8.551 -11.948 -6.324 1.00 42.15 H new ATOM 0 HG3 GLN A 103 -6.969 -11.353 -6.786 1.00 42.15 H new ATOM 0 HE21 GLN A 103 -7.801 -13.919 -5.621 1.00 12.33 H new ATOM 0 HE22 GLN A 103 -6.866 -14.104 -4.133 1.00 12.33 H new ATOM 1740 N GLU A 104 -9.192 -7.022 -6.406 1.00 34.43 N ATOM 1741 CA GLU A 104 -9.800 -5.752 -5.926 1.00 41.52 C ATOM 1742 C GLU A 104 -9.945 -5.762 -4.405 1.00 15.42 C ATOM 1743 O GLU A 104 -10.929 -6.260 -3.858 1.00 34.55 O ATOM 1744 CB GLU A 104 -11.101 -5.430 -6.649 1.00 43.12 C ATOM 1745 CG GLU A 104 -10.915 -5.342 -8.149 1.00 4.31 C ATOM 1746 CD GLU A 104 -12.160 -4.961 -8.877 1.00 14.34 C ATOM 1747 OE1 GLU A 104 -13.121 -5.741 -8.873 1.00 35.14 O ATOM 1748 OE2 GLU A 104 -12.196 -3.879 -9.480 1.00 21.22 O ATOM 0 H GLU A 104 -8.348 -6.887 -6.962 1.00 34.43 H new ATOM 0 HA GLU A 104 -9.121 -4.937 -6.175 1.00 41.52 H new ATOM 0 HB2 GLU A 104 -11.841 -6.197 -6.421 1.00 43.12 H new ATOM 0 HB3 GLU A 104 -11.497 -4.485 -6.278 1.00 43.12 H new ATOM 0 HG2 GLU A 104 -10.136 -4.612 -8.369 1.00 4.31 H new ATOM 0 HG3 GLU A 104 -10.565 -6.305 -8.522 1.00 4.31 H new ATOM 1755 N VAL A 105 -8.931 -5.200 -3.756 1.00 32.10 N ATOM 1756 CA VAL A 105 -8.688 -5.309 -2.313 1.00 11.23 C ATOM 1757 C VAL A 105 -8.751 -6.764 -1.827 1.00 22.41 C ATOM 1758 O VAL A 105 -9.785 -7.268 -1.351 1.00 75.03 O ATOM 1759 CB VAL A 105 -9.402 -4.286 -1.359 1.00 31.42 C ATOM 1760 CG1 VAL A 105 -10.918 -4.351 -1.444 1.00 2.11 C ATOM 1761 CG2 VAL A 105 -8.924 -4.534 0.069 1.00 70.23 C ATOM 0 H VAL A 105 -8.228 -4.635 -4.233 1.00 32.10 H new ATOM 0 HA VAL A 105 -7.658 -4.963 -2.221 1.00 11.23 H new ATOM 0 HB VAL A 105 -9.132 -3.280 -1.679 1.00 31.42 H new ATOM 0 HG11 VAL A 105 -11.352 -3.620 -0.762 1.00 2.11 H new ATOM 0 HG12 VAL A 105 -11.235 -4.129 -2.463 1.00 2.11 H new ATOM 0 HG13 VAL A 105 -11.255 -5.350 -1.169 1.00 2.11 H new ATOM 0 HG21 VAL A 105 -9.412 -3.830 0.743 1.00 70.23 H new ATOM 0 HG22 VAL A 105 -9.174 -5.553 0.365 1.00 70.23 H new ATOM 0 HG23 VAL A 105 -7.844 -4.396 0.120 1.00 70.23 H new ATOM 1771 N PRO A 106 -7.637 -7.469 -2.023 1.00 72.44 N ATOM 1772 CA PRO A 106 -7.513 -8.881 -1.702 1.00 23.30 C ATOM 1773 C PRO A 106 -7.565 -9.211 -0.222 1.00 21.31 C ATOM 1774 O PRO A 106 -7.168 -8.411 0.642 1.00 65.11 O ATOM 1775 CB PRO A 106 -6.133 -9.243 -2.227 1.00 51.42 C ATOM 1776 CG PRO A 106 -5.764 -8.155 -3.154 1.00 53.05 C ATOM 1777 CD PRO A 106 -6.402 -6.942 -2.611 1.00 55.22 C ATOM 0 HA PRO A 106 -8.349 -9.429 -2.136 1.00 23.30 H new ATOM 0 HB2 PRO A 106 -5.413 -9.326 -1.413 1.00 51.42 H new ATOM 0 HB3 PRO A 106 -6.148 -10.206 -2.738 1.00 51.42 H new ATOM 0 HG2 PRO A 106 -4.682 -8.038 -3.210 1.00 53.05 H new ATOM 0 HG3 PRO A 106 -6.115 -8.364 -4.164 1.00 53.05 H new ATOM 0 HD2 PRO A 106 -5.775 -6.452 -1.866 1.00 55.22 H new ATOM 0 HD3 PRO A 106 -6.605 -6.207 -3.390 1.00 55.22 H new ATOM 1785 N LYS A 107 -8.025 -10.421 0.050 1.00 21.12 N ATOM 1786 CA LYS A 107 -8.069 -10.994 1.379 1.00 53.24 C ATOM 1787 C LYS A 107 -6.626 -11.143 1.911 1.00 33.53 C ATOM 1788 O LYS A 107 -6.401 -11.177 3.114 1.00 13.41 O ATOM 1789 CB LYS A 107 -8.824 -12.369 1.309 1.00 55.44 C ATOM 1790 CG LYS A 107 -9.155 -13.096 2.645 1.00 60.21 C ATOM 1791 CD LYS A 107 -7.937 -13.656 3.389 1.00 51.33 C ATOM 1792 CE LYS A 107 -7.187 -14.700 2.568 1.00 52.22 C ATOM 1793 NZ LYS A 107 -5.981 -15.203 3.267 1.00 1.10 N ATOM 0 H LYS A 107 -8.387 -11.047 -0.670 1.00 21.12 H new ATOM 0 HA LYS A 107 -8.610 -10.349 2.071 1.00 53.24 H new ATOM 0 HB2 LYS A 107 -9.762 -12.207 0.777 1.00 55.44 H new ATOM 0 HB3 LYS A 107 -8.225 -13.047 0.701 1.00 55.44 H new ATOM 0 HG2 LYS A 107 -9.676 -12.400 3.302 1.00 60.21 H new ATOM 0 HG3 LYS A 107 -9.844 -13.914 2.436 1.00 60.21 H new ATOM 0 HD2 LYS A 107 -7.260 -12.839 3.640 1.00 51.33 H new ATOM 0 HD3 LYS A 107 -8.262 -14.101 4.330 1.00 51.33 H new ATOM 0 HE2 LYS A 107 -7.853 -15.535 2.350 1.00 52.22 H new ATOM 0 HE3 LYS A 107 -6.896 -14.266 1.611 1.00 52.22 H new ATOM 0 HZ1 LYS A 107 -5.504 -15.910 2.671 1.00 1.10 H new ATOM 0 HZ2 LYS A 107 -5.332 -14.412 3.453 1.00 1.10 H new ATOM 0 HZ3 LYS A 107 -6.259 -15.641 4.168 1.00 1.10 H new ATOM 1807 N GLU A 108 -5.654 -11.199 1.000 1.00 3.13 N ATOM 1808 CA GLU A 108 -4.278 -11.377 1.385 1.00 44.32 C ATOM 1809 C GLU A 108 -3.850 -10.139 2.176 1.00 14.14 C ATOM 1810 O GLU A 108 -3.392 -10.250 3.282 1.00 62.20 O ATOM 1811 CB GLU A 108 -3.400 -11.580 0.140 1.00 13.22 C ATOM 1812 CG GLU A 108 -2.103 -12.365 0.385 1.00 41.42 C ATOM 1813 CD GLU A 108 -1.192 -11.776 1.427 1.00 42.32 C ATOM 1814 OE1 GLU A 108 -0.366 -10.942 1.089 1.00 70.02 O ATOM 1815 OE2 GLU A 108 -1.304 -12.185 2.599 1.00 65.21 O ATOM 0 H GLU A 108 -5.807 -11.122 -0.006 1.00 3.13 H new ATOM 0 HA GLU A 108 -4.162 -12.265 2.007 1.00 44.32 H new ATOM 0 HB2 GLU A 108 -3.985 -12.101 -0.618 1.00 13.22 H new ATOM 0 HB3 GLU A 108 -3.144 -10.603 -0.270 1.00 13.22 H new ATOM 0 HG2 GLU A 108 -2.362 -13.381 0.682 1.00 41.42 H new ATOM 0 HG3 GLU A 108 -1.556 -12.437 -0.555 1.00 41.42 H new ATOM 1822 N LEU A 109 -4.109 -8.954 1.617 1.00 20.33 N ATOM 1823 CA LEU A 109 -3.790 -7.692 2.275 1.00 43.23 C ATOM 1824 C LEU A 109 -4.541 -7.586 3.588 1.00 42.42 C ATOM 1825 O LEU A 109 -4.027 -7.049 4.579 1.00 33.41 O ATOM 1826 CB LEU A 109 -4.136 -6.482 1.369 1.00 15.31 C ATOM 1827 CG LEU A 109 -3.223 -6.201 0.147 1.00 61.34 C ATOM 1828 CD1 LEU A 109 -1.830 -5.865 0.596 1.00 51.40 C ATOM 1829 CD2 LEU A 109 -3.185 -7.362 -0.833 1.00 72.15 C ATOM 0 H LEU A 109 -4.543 -8.846 0.700 1.00 20.33 H new ATOM 0 HA LEU A 109 -2.718 -7.675 2.469 1.00 43.23 H new ATOM 0 HB2 LEU A 109 -5.153 -6.621 1.001 1.00 15.31 H new ATOM 0 HB3 LEU A 109 -4.142 -5.589 1.993 1.00 15.31 H new ATOM 0 HG LEU A 109 -3.654 -5.347 -0.376 1.00 61.34 H new ATOM 0 HD11 LEU A 109 -1.204 -5.671 -0.275 1.00 51.40 H new ATOM 0 HD12 LEU A 109 -1.856 -4.978 1.229 1.00 51.40 H new ATOM 0 HD13 LEU A 109 -1.418 -6.702 1.160 1.00 51.40 H new ATOM 0 HD21 LEU A 109 -2.531 -7.112 -1.669 1.00 72.15 H new ATOM 0 HD22 LEU A 109 -2.805 -8.251 -0.329 1.00 72.15 H new ATOM 0 HD23 LEU A 109 -4.191 -7.557 -1.205 1.00 72.15 H new ATOM 1841 N LEU A 110 -5.743 -8.141 3.587 1.00 45.22 N ATOM 1842 CA LEU A 110 -6.609 -8.171 4.740 1.00 11.24 C ATOM 1843 C LEU A 110 -5.862 -8.905 5.881 1.00 5.31 C ATOM 1844 O LEU A 110 -5.826 -8.441 7.009 1.00 54.12 O ATOM 1845 CB LEU A 110 -7.930 -8.898 4.341 1.00 24.04 C ATOM 1846 CG LEU A 110 -9.207 -8.723 5.203 1.00 34.34 C ATOM 1847 CD1 LEU A 110 -9.023 -9.143 6.643 1.00 73.45 C ATOM 1848 CD2 LEU A 110 -9.739 -7.307 5.097 1.00 11.43 C ATOM 0 H LEU A 110 -6.146 -8.590 2.765 1.00 45.22 H new ATOM 0 HA LEU A 110 -6.866 -7.170 5.087 1.00 11.24 H new ATOM 0 HB2 LEU A 110 -8.179 -8.584 3.327 1.00 24.04 H new ATOM 0 HB3 LEU A 110 -7.712 -9.965 4.299 1.00 24.04 H new ATOM 0 HG LEU A 110 -9.953 -9.404 4.793 1.00 34.34 H new ATOM 0 HD11 LEU A 110 -9.955 -8.994 7.188 1.00 73.45 H new ATOM 0 HD12 LEU A 110 -8.744 -10.196 6.682 1.00 73.45 H new ATOM 0 HD13 LEU A 110 -8.236 -8.542 7.099 1.00 73.45 H new ATOM 0 HD21 LEU A 110 -10.635 -7.208 5.710 1.00 11.43 H new ATOM 0 HD22 LEU A 110 -8.981 -6.606 5.447 1.00 11.43 H new ATOM 0 HD23 LEU A 110 -9.984 -7.087 4.058 1.00 11.43 H new ATOM 1860 N GLU A 111 -5.263 -10.031 5.557 1.00 0.22 N ATOM 1861 CA GLU A 111 -4.474 -10.821 6.513 1.00 10.31 C ATOM 1862 C GLU A 111 -3.054 -10.224 6.751 1.00 13.31 C ATOM 1863 O GLU A 111 -2.518 -10.280 7.872 1.00 44.20 O ATOM 1864 CB GLU A 111 -4.353 -12.268 6.005 1.00 60.25 C ATOM 1865 CG GLU A 111 -3.576 -13.211 6.925 1.00 60.34 C ATOM 1866 CD GLU A 111 -3.422 -14.595 6.337 1.00 50.34 C ATOM 1867 OE1 GLU A 111 -4.319 -15.437 6.524 1.00 71.51 O ATOM 1868 OE2 GLU A 111 -2.405 -14.852 5.648 1.00 72.43 O ATOM 0 H GLU A 111 -5.302 -10.437 4.622 1.00 0.22 H new ATOM 0 HA GLU A 111 -4.997 -10.798 7.469 1.00 10.31 H new ATOM 0 HB2 GLU A 111 -5.355 -12.671 5.858 1.00 60.25 H new ATOM 0 HB3 GLU A 111 -3.868 -12.256 5.029 1.00 60.25 H new ATOM 0 HG2 GLU A 111 -2.589 -12.791 7.121 1.00 60.34 H new ATOM 0 HG3 GLU A 111 -4.089 -13.282 7.884 1.00 60.34 H new ATOM 1875 N PHE A 112 -2.491 -9.612 5.722 1.00 32.21 N ATOM 1876 CA PHE A 112 -1.075 -9.220 5.716 1.00 65.31 C ATOM 1877 C PHE A 112 -0.855 -7.989 6.553 1.00 15.45 C ATOM 1878 O PHE A 112 0.153 -7.854 7.247 1.00 71.20 O ATOM 1879 CB PHE A 112 -0.603 -8.970 4.261 1.00 12.21 C ATOM 1880 CG PHE A 112 0.874 -8.706 4.098 1.00 31.23 C ATOM 1881 CD1 PHE A 112 1.769 -9.759 4.003 1.00 53.34 C ATOM 1882 CD2 PHE A 112 1.360 -7.411 4.028 1.00 43.14 C ATOM 1883 CE1 PHE A 112 3.120 -9.524 3.845 1.00 54.33 C ATOM 1884 CE2 PHE A 112 2.709 -7.171 3.868 1.00 55.15 C ATOM 1885 CZ PHE A 112 3.589 -8.227 3.777 1.00 13.32 C ATOM 0 H PHE A 112 -2.992 -9.370 4.867 1.00 32.21 H new ATOM 0 HA PHE A 112 -0.490 -10.032 6.147 1.00 65.31 H new ATOM 0 HB2 PHE A 112 -0.869 -9.837 3.656 1.00 12.21 H new ATOM 0 HB3 PHE A 112 -1.154 -8.120 3.859 1.00 12.21 H new ATOM 0 HD1 PHE A 112 1.406 -10.775 4.053 1.00 53.34 H new ATOM 0 HD2 PHE A 112 0.675 -6.579 4.100 1.00 43.14 H new ATOM 0 HE1 PHE A 112 3.809 -10.353 3.775 1.00 54.33 H new ATOM 0 HE2 PHE A 112 3.075 -6.156 3.814 1.00 55.15 H new ATOM 0 HZ PHE A 112 4.645 -8.041 3.653 1.00 13.32 H new ATOM 1895 N LEU A 113 -1.793 -7.107 6.490 1.00 61.13 N ATOM 1896 CA LEU A 113 -1.719 -5.852 7.193 1.00 63.50 C ATOM 1897 C LEU A 113 -2.690 -5.869 8.349 1.00 60.33 C ATOM 1898 O LEU A 113 -2.679 -4.982 9.198 1.00 61.15 O ATOM 1899 CB LEU A 113 -2.155 -4.792 6.233 1.00 14.10 C ATOM 1900 CG LEU A 113 -1.423 -4.746 4.910 1.00 4.21 C ATOM 1901 CD1 LEU A 113 -2.225 -3.936 3.936 1.00 41.53 C ATOM 1902 CD2 LEU A 113 -0.030 -4.157 5.086 1.00 70.51 C ATOM 0 H LEU A 113 -2.647 -7.229 5.945 1.00 61.13 H new ATOM 0 HA LEU A 113 -0.710 -5.674 7.566 1.00 63.50 H new ATOM 0 HB2 LEU A 113 -3.218 -4.928 6.032 1.00 14.10 H new ATOM 0 HB3 LEU A 113 -2.044 -3.823 6.719 1.00 14.10 H new ATOM 0 HG LEU A 113 -1.306 -5.759 4.525 1.00 4.21 H new ATOM 0 HD11 LEU A 113 -1.704 -3.898 2.979 1.00 41.53 H new ATOM 0 HD12 LEU A 113 -3.203 -4.396 3.799 1.00 41.53 H new ATOM 0 HD13 LEU A 113 -2.351 -2.924 4.321 1.00 41.53 H new ATOM 0 HD21 LEU A 113 0.479 -4.133 4.123 1.00 70.51 H new ATOM 0 HD22 LEU A 113 -0.110 -3.144 5.479 1.00 70.51 H new ATOM 0 HD23 LEU A 113 0.540 -4.772 5.782 1.00 70.51 H new ATOM 1914 N ARG A 114 -3.523 -6.903 8.368 1.00 41.51 N ATOM 1915 CA ARG A 114 -4.608 -7.037 9.324 1.00 21.32 C ATOM 1916 C ARG A 114 -5.613 -5.908 9.160 1.00 55.02 C ATOM 1917 O ARG A 114 -5.815 -5.086 10.048 1.00 54.42 O ATOM 1918 CB ARG A 114 -4.145 -7.242 10.773 1.00 21.04 C ATOM 1919 CG ARG A 114 -3.349 -8.521 10.970 1.00 24.10 C ATOM 1920 CD ARG A 114 -2.952 -8.720 12.418 1.00 62.42 C ATOM 1921 NE ARG A 114 -4.117 -8.859 13.309 1.00 40.23 N ATOM 1922 CZ ARG A 114 -4.039 -9.108 14.619 1.00 24.41 C ATOM 1923 NH1 ARG A 114 -2.850 -9.267 15.200 1.00 54.22 N ATOM 1924 NH2 ARG A 114 -5.148 -9.191 15.354 1.00 63.24 N ATOM 0 H ARG A 114 -3.460 -7.680 7.710 1.00 41.51 H new ATOM 0 HA ARG A 114 -5.123 -7.968 9.088 1.00 21.32 H new ATOM 0 HB2 ARG A 114 -3.535 -6.391 11.077 1.00 21.04 H new ATOM 0 HB3 ARG A 114 -5.017 -7.259 11.427 1.00 21.04 H new ATOM 0 HG2 ARG A 114 -3.941 -9.373 10.635 1.00 24.10 H new ATOM 0 HG3 ARG A 114 -2.454 -8.491 10.349 1.00 24.10 H new ATOM 0 HD2 ARG A 114 -2.327 -9.609 12.501 1.00 62.42 H new ATOM 0 HD3 ARG A 114 -2.348 -7.874 12.745 1.00 62.42 H new ATOM 0 HE ARG A 114 -5.045 -8.758 12.898 1.00 40.23 H new ATOM 0 HH11 ARG A 114 -1.998 -9.199 14.644 1.00 54.22 H new ATOM 0 HH12 ARG A 114 -2.793 -9.457 16.200 1.00 54.22 H new ATOM 0 HH21 ARG A 114 -6.061 -9.064 14.916 1.00 63.24 H new ATOM 0 HH22 ARG A 114 -5.084 -9.381 16.354 1.00 63.24 H new ATOM 1938 N LEU A 115 -6.204 -5.870 7.980 1.00 13.42 N ATOM 1939 CA LEU A 115 -7.143 -4.827 7.576 1.00 61.13 C ATOM 1940 C LEU A 115 -8.569 -5.249 7.891 1.00 22.21 C ATOM 1941 O LEU A 115 -9.506 -4.684 7.347 1.00 63.22 O ATOM 1942 CB LEU A 115 -7.058 -4.599 6.043 1.00 42.43 C ATOM 1943 CG LEU A 115 -5.720 -4.282 5.433 1.00 64.52 C ATOM 1944 CD1 LEU A 115 -5.867 -4.063 3.927 1.00 70.44 C ATOM 1945 CD2 LEU A 115 -5.071 -3.107 6.108 1.00 42.14 C ATOM 0 H LEU A 115 -6.045 -6.574 7.259 1.00 13.42 H new ATOM 0 HA LEU A 115 -6.884 -3.918 8.118 1.00 61.13 H new ATOM 0 HB2 LEU A 115 -7.440 -5.495 5.554 1.00 42.43 H new ATOM 0 HB3 LEU A 115 -7.737 -3.784 5.792 1.00 42.43 H new ATOM 0 HG LEU A 115 -5.059 -5.135 5.588 1.00 64.52 H new ATOM 0 HD11 LEU A 115 -4.892 -3.834 3.496 1.00 70.44 H new ATOM 0 HD12 LEU A 115 -6.265 -4.966 3.465 1.00 70.44 H new ATOM 0 HD13 LEU A 115 -6.548 -3.232 3.745 1.00 70.44 H new ATOM 0 HD21 LEU A 115 -4.106 -2.907 5.642 1.00 42.14 H new ATOM 0 HD22 LEU A 115 -5.711 -2.231 6.008 1.00 42.14 H new ATOM 0 HD23 LEU A 115 -4.924 -3.330 7.165 1.00 42.14 H new ATOM 1957 N ARG A 116 -8.733 -6.234 8.767 1.00 3.11 N ATOM 1958 CA ARG A 116 -10.054 -6.767 9.051 1.00 12.33 C ATOM 1959 C ARG A 116 -10.974 -5.698 9.593 1.00 4.20 C ATOM 1960 O ARG A 116 -10.664 -5.047 10.606 1.00 73.22 O ATOM 1961 CB ARG A 116 -9.995 -7.963 9.997 1.00 31.20 C ATOM 1962 CG ARG A 116 -11.353 -8.588 10.260 1.00 10.20 C ATOM 1963 CD ARG A 116 -11.243 -9.782 11.172 1.00 55.45 C ATOM 1964 NE ARG A 116 -12.543 -10.421 11.388 1.00 34.44 N ATOM 1965 CZ ARG A 116 -12.709 -11.646 11.893 1.00 24.33 C ATOM 1966 NH1 ARG A 116 -11.647 -12.371 12.248 1.00 41.23 N ATOM 1967 NH2 ARG A 116 -13.931 -12.137 12.050 1.00 21.43 N ATOM 0 H ARG A 116 -7.974 -6.674 9.287 1.00 3.11 H new ATOM 0 HA ARG A 116 -10.464 -7.118 8.104 1.00 12.33 H new ATOM 0 HB2 ARG A 116 -9.331 -8.718 9.576 1.00 31.20 H new ATOM 0 HB3 ARG A 116 -9.559 -7.647 10.944 1.00 31.20 H new ATOM 0 HG2 ARG A 116 -12.015 -7.847 10.707 1.00 10.20 H new ATOM 0 HG3 ARG A 116 -11.805 -8.891 9.315 1.00 10.20 H new ATOM 0 HD2 ARG A 116 -10.549 -10.505 10.743 1.00 55.45 H new ATOM 0 HD3 ARG A 116 -10.827 -9.471 12.130 1.00 55.45 H new ATOM 0 HE ARG A 116 -13.379 -9.894 11.135 1.00 34.44 H new ATOM 0 HH11 ARG A 116 -10.708 -11.990 12.134 1.00 41.23 H new ATOM 0 HH12 ARG A 116 -11.774 -13.307 12.634 1.00 41.23 H new ATOM 0 HH21 ARG A 116 -14.743 -11.579 11.785 1.00 21.43 H new ATOM 0 HH22 ARG A 116 -14.059 -13.073 12.436 1.00 21.43 H new