USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -117:sc= 0.299 (180deg=0) USER MOD Set 1.2: A 36 MET CE :methyl 138:sc= -0.178 (180deg=-0.991) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.0167 (180deg=-0.309) USER MOD Single : A 18 GLN : amide:sc=-0.00458 K(o=-0.0046,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.277! USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.159 (180deg=-1.38) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.97) USER MOD Single : A 59 TYR OH : rot -79:sc= 0.672 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -108:sc= -0.399 USER MOD Single : A 83 ASN : amide:sc= -3.71 K(o=-3.7,f=-6.8!) USER MOD Single : A 88 ASN : amide:sc= -0.567 K(o=-0.57,f=-5.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.54! K(o=-4.5!,f=-0.00033) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 65.527 1.101 -15.003 1.00 0.00 N ATOM 171 CA LEU A 10 66.143 -0.169 -15.374 1.00 0.00 C ATOM 172 C LEU A 10 67.633 -0.156 -15.045 1.00 0.00 C ATOM 173 O LEU A 10 68.338 0.801 -15.361 1.00 0.00 O ATOM 174 CB LEU A 10 65.950 -0.421 -16.871 1.00 0.00 C ATOM 175 CG LEU A 10 66.451 -1.824 -17.224 1.00 0.00 C ATOM 176 CD1 LEU A 10 65.537 -2.879 -16.594 1.00 0.00 C ATOM 177 CD2 LEU A 10 66.448 -1.996 -18.744 1.00 0.00 C ATOM 0 HA LEU A 10 65.665 -0.967 -14.806 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.897 -0.323 -17.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.493 0.326 -17.449 1.00 0.00 H new ATOM 0 HG LEU A 10 67.463 -1.950 -16.840 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.900 -3.874 -16.850 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.537 -2.760 -15.511 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.523 -2.754 -16.973 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.804 -2.994 -18.998 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.434 -1.865 -19.123 1.00 0.00 H new ATOM 0 HD23 LEU A 10 67.103 -1.251 -19.196 1.00 0.00 H new ATOM 189 N VAL A 11 68.107 -1.224 -14.410 1.00 0.00 N ATOM 190 CA VAL A 11 69.517 -1.319 -14.046 1.00 0.00 C ATOM 191 C VAL A 11 70.326 -1.924 -15.189 1.00 0.00 C ATOM 192 O VAL A 11 69.891 -2.879 -15.832 1.00 0.00 O ATOM 193 CB VAL A 11 69.681 -2.179 -12.791 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.217 -1.388 -11.567 1.00 0.00 C ATOM 195 CG2 VAL A 11 68.835 -3.446 -12.929 1.00 0.00 C ATOM 0 H VAL A 11 67.542 -2.029 -14.139 1.00 0.00 H new ATOM 0 HA VAL A 11 69.887 -0.314 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 11 70.729 -2.452 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.334 -2.000 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 11 69.818 -0.484 -11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 11 68.168 -1.115 -11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 11 68.951 -4.060 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 11 67.787 -3.172 -13.048 1.00 0.00 H new ATOM 0 HG23 VAL A 11 69.164 -4.010 -13.802 1.00 0.00 H new ATOM 205 N THR A 12 71.505 -1.361 -15.435 1.00 0.00 N ATOM 206 CA THR A 12 72.365 -1.855 -16.505 1.00 0.00 C ATOM 207 C THR A 12 73.782 -2.100 -15.991 1.00 0.00 C ATOM 208 O THR A 12 74.182 -1.559 -14.961 1.00 0.00 O ATOM 209 CB THR A 12 72.406 -0.842 -17.652 1.00 0.00 C ATOM 210 OG1 THR A 12 73.219 0.261 -17.277 1.00 0.00 O ATOM 211 CG2 THR A 12 70.988 -0.355 -17.955 1.00 0.00 C ATOM 0 H THR A 12 71.884 -0.570 -14.914 1.00 0.00 H new ATOM 0 HA THR A 12 71.955 -2.798 -16.865 1.00 0.00 H new ATOM 0 HB THR A 12 72.822 -1.315 -18.542 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.248 0.910 -18.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.018 0.366 -18.772 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.366 -1.203 -18.242 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.569 0.119 -17.068 1.00 0.00 H new ATOM 219 N ILE A 13 74.536 -2.913 -16.724 1.00 0.00 N ATOM 220 CA ILE A 13 75.911 -3.218 -16.345 1.00 0.00 C ATOM 221 C ILE A 13 76.864 -2.834 -17.473 1.00 0.00 C ATOM 222 O ILE A 13 76.454 -2.723 -18.629 1.00 0.00 O ATOM 223 CB ILE A 13 76.046 -4.711 -16.026 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.818 -5.535 -17.298 1.00 0.00 C ATOM 225 CG2 ILE A 13 75.006 -5.106 -14.975 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.955 -7.023 -16.972 1.00 0.00 C ATOM 0 H ILE A 13 74.220 -3.370 -17.579 1.00 0.00 H new ATOM 0 HA ILE A 13 76.169 -2.642 -15.457 1.00 0.00 H new ATOM 0 HB ILE A 13 77.047 -4.906 -15.642 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.827 -5.330 -17.704 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.541 -5.251 -18.063 1.00 0.00 H new ATOM 0 HG21 ILE A 13 75.103 -6.168 -14.749 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.168 -4.525 -14.067 1.00 0.00 H new ATOM 0 HG23 ILE A 13 74.006 -4.907 -15.360 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.793 -7.610 -17.876 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.955 -7.220 -16.586 1.00 0.00 H new ATOM 0 HD13 ILE A 13 75.215 -7.301 -16.222 1.00 0.00 H new ATOM 238 N LYS A 14 78.132 -2.631 -17.135 1.00 0.00 N ATOM 239 CA LYS A 14 79.120 -2.259 -18.143 1.00 0.00 C ATOM 240 C LYS A 14 80.339 -3.171 -18.073 1.00 0.00 C ATOM 241 O LYS A 14 80.983 -3.283 -17.031 1.00 0.00 O ATOM 242 CB LYS A 14 79.557 -0.808 -17.930 1.00 0.00 C ATOM 243 CG LYS A 14 78.353 0.118 -18.114 1.00 0.00 C ATOM 244 CD LYS A 14 78.788 1.572 -17.913 1.00 0.00 C ATOM 245 CE LYS A 14 79.737 1.990 -19.040 1.00 0.00 C ATOM 246 NZ LYS A 14 81.135 2.013 -18.528 1.00 0.00 N ATOM 0 H LYS A 14 78.497 -2.716 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 14 78.661 -2.366 -19.126 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.975 -0.685 -16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.343 -0.546 -18.638 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.931 -0.011 -19.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.571 -0.140 -17.400 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.915 2.224 -17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.283 1.683 -16.948 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.656 1.294 -19.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.460 2.975 -19.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.793 1.806 -19.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 81.346 2.953 -18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.244 1.296 -17.783 1.00 0.00 H new ATOM 260 N ILE A 15 80.658 -3.811 -19.192 1.00 0.00 N ATOM 261 CA ILE A 15 81.814 -4.698 -19.246 1.00 0.00 C ATOM 262 C ILE A 15 82.559 -4.528 -20.569 1.00 0.00 C ATOM 263 O ILE A 15 81.951 -4.526 -21.639 1.00 0.00 O ATOM 264 CB ILE A 15 81.368 -6.155 -19.069 1.00 0.00 C ATOM 265 CG1 ILE A 15 80.475 -6.572 -20.241 1.00 0.00 C ATOM 266 CG2 ILE A 15 80.587 -6.294 -17.762 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.980 -8.003 -20.019 1.00 0.00 C ATOM 0 H ILE A 15 80.138 -3.734 -20.066 1.00 0.00 H new ATOM 0 HA ILE A 15 82.492 -4.436 -18.434 1.00 0.00 H new ATOM 0 HB ILE A 15 82.248 -6.798 -19.041 1.00 0.00 H new ATOM 0 HG12 ILE A 15 79.628 -5.892 -20.327 1.00 0.00 H new ATOM 0 HG13 ILE A 15 81.031 -6.509 -21.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.270 -7.329 -17.636 1.00 0.00 H new ATOM 0 HG22 ILE A 15 81.223 -6.005 -16.925 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.710 -5.647 -17.791 1.00 0.00 H new ATOM 0 HD11 ILE A 15 79.344 -8.301 -20.852 1.00 0.00 H new ATOM 0 HD12 ILE A 15 80.834 -8.677 -19.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.409 -8.051 -19.092 1.00 0.00 H new ATOM 279 N GLY A 16 83.875 -4.374 -20.489 1.00 0.00 N ATOM 280 CA GLY A 16 84.685 -4.199 -21.690 1.00 0.00 C ATOM 281 C GLY A 16 84.468 -2.817 -22.296 1.00 0.00 C ATOM 282 O GLY A 16 85.044 -2.485 -23.332 1.00 0.00 O ATOM 0 H GLY A 16 84.401 -4.367 -19.615 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.739 -4.332 -21.445 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.429 -4.966 -22.421 1.00 0.00 H new ATOM 286 N GLY A 17 83.620 -2.019 -21.653 1.00 0.00 N ATOM 287 CA GLY A 17 83.319 -0.681 -22.147 1.00 0.00 C ATOM 288 C GLY A 17 82.038 -0.695 -22.972 1.00 0.00 C ATOM 289 O GLY A 17 81.715 0.275 -23.657 1.00 0.00 O ATOM 0 H GLY A 17 83.132 -2.274 -20.794 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.212 0.007 -21.309 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.147 -0.316 -22.755 1.00 0.00 H new ATOM 293 N GLN A 18 81.309 -1.803 -22.889 1.00 0.00 N ATOM 294 CA GLN A 18 80.055 -1.942 -23.619 1.00 0.00 C ATOM 295 C GLN A 18 78.878 -1.899 -22.652 1.00 0.00 C ATOM 296 O GLN A 18 78.981 -2.354 -21.513 1.00 0.00 O ATOM 297 CB GLN A 18 80.037 -3.262 -24.391 1.00 0.00 C ATOM 298 CG GLN A 18 81.110 -3.234 -25.481 1.00 0.00 C ATOM 299 CD GLN A 18 81.150 -4.575 -26.205 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.705 -5.587 -25.663 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.658 -4.646 -27.405 1.00 0.00 N ATOM 0 H GLN A 18 81.564 -2.614 -22.326 1.00 0.00 H new ATOM 0 HA GLN A 18 79.970 -1.115 -24.324 1.00 0.00 H new ATOM 0 HB2 GLN A 18 80.217 -4.095 -23.711 1.00 0.00 H new ATOM 0 HB3 GLN A 18 79.055 -3.421 -24.837 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.899 -2.434 -26.191 1.00 0.00 H new ATOM 0 HG3 GLN A 18 82.083 -3.020 -25.040 1.00 0.00 H new ATOM 0 HE21 GLN A 18 82.026 -3.807 -27.853 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.687 -5.540 -27.895 1.00 0.00 H new ATOM 310 N LEU A 19 77.762 -1.343 -23.109 1.00 0.00 N ATOM 311 CA LEU A 19 76.576 -1.237 -22.268 1.00 0.00 C ATOM 312 C LEU A 19 75.665 -2.445 -22.451 1.00 0.00 C ATOM 313 O LEU A 19 75.297 -2.800 -23.571 1.00 0.00 O ATOM 314 CB LEU A 19 75.816 0.043 -22.615 1.00 0.00 C ATOM 315 CG LEU A 19 76.687 1.254 -22.276 1.00 0.00 C ATOM 316 CD1 LEU A 19 76.255 2.451 -23.123 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.522 1.599 -20.792 1.00 0.00 C ATOM 0 H LEU A 19 77.654 -0.962 -24.049 1.00 0.00 H new ATOM 0 HA LEU A 19 76.893 -1.205 -21.226 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.558 0.051 -23.674 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.880 0.086 -22.058 1.00 0.00 H new ATOM 0 HG LEU A 19 77.730 1.019 -22.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.877 3.312 -22.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 76.368 2.209 -24.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.211 2.687 -22.914 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.142 2.462 -20.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.477 1.833 -20.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.829 0.748 -20.184 1.00 0.00 H new ATOM 329 N LYS A 20 75.302 -3.067 -21.334 1.00 0.00 N ATOM 330 CA LYS A 20 74.428 -4.232 -21.355 1.00 0.00 C ATOM 331 C LYS A 20 73.345 -4.074 -20.290 1.00 0.00 C ATOM 332 O LYS A 20 73.536 -3.356 -19.308 1.00 0.00 O ATOM 333 CB LYS A 20 75.243 -5.505 -21.088 1.00 0.00 C ATOM 334 CG LYS A 20 74.441 -6.742 -21.504 1.00 0.00 C ATOM 335 CD LYS A 20 74.621 -7.000 -23.004 1.00 0.00 C ATOM 336 CE LYS A 20 73.828 -8.243 -23.405 1.00 0.00 C ATOM 337 NZ LYS A 20 73.119 -7.985 -24.689 1.00 0.00 N ATOM 0 H LYS A 20 75.601 -2.782 -20.401 1.00 0.00 H new ATOM 0 HA LYS A 20 73.961 -4.314 -22.336 1.00 0.00 H new ATOM 0 HB2 LYS A 20 76.181 -5.468 -21.641 1.00 0.00 H new ATOM 0 HB3 LYS A 20 75.499 -5.567 -20.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 74.773 -7.610 -20.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 73.385 -6.596 -21.275 1.00 0.00 H new ATOM 0 HD2 LYS A 20 74.279 -6.137 -23.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.677 -7.138 -23.236 1.00 0.00 H new ATOM 0 HE2 LYS A 20 74.498 -9.096 -23.512 1.00 0.00 H new ATOM 0 HE3 LYS A 20 73.110 -8.497 -22.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 72.092 -8.037 -24.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 73.369 -7.038 -25.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 73.400 -8.699 -25.391 1.00 0.00 H new ATOM 351 N GLU A 21 72.214 -4.744 -20.479 1.00 0.00 N ATOM 352 CA GLU A 21 71.126 -4.657 -19.512 1.00 0.00 C ATOM 353 C GLU A 21 70.999 -5.961 -18.732 1.00 0.00 C ATOM 354 O GLU A 21 71.212 -7.044 -19.276 1.00 0.00 O ATOM 355 CB GLU A 21 69.808 -4.360 -20.232 1.00 0.00 C ATOM 356 CG GLU A 21 69.919 -3.024 -20.969 1.00 0.00 C ATOM 357 CD GLU A 21 68.588 -2.682 -21.630 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.721 -3.540 -21.650 1.00 0.00 O ATOM 359 OE2 GLU A 21 68.456 -1.567 -22.107 1.00 0.00 O ATOM 0 H GLU A 21 72.027 -5.346 -21.281 1.00 0.00 H new ATOM 0 HA GLU A 21 71.348 -3.849 -18.815 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.579 -5.159 -20.937 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.989 -4.324 -19.514 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.201 -2.236 -20.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.705 -3.079 -21.722 1.00 0.00 H new ATOM 366 N ALA A 22 70.650 -5.849 -17.455 1.00 0.00 N ATOM 367 CA ALA A 22 70.497 -7.028 -16.609 1.00 0.00 C ATOM 368 C ALA A 22 69.405 -6.805 -15.568 1.00 0.00 C ATOM 369 O ALA A 22 69.196 -5.684 -15.103 1.00 0.00 O ATOM 370 CB ALA A 22 71.819 -7.339 -15.905 1.00 0.00 C ATOM 0 H ALA A 22 70.469 -4.962 -16.985 1.00 0.00 H new ATOM 0 HA ALA A 22 70.213 -7.870 -17.240 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.697 -8.220 -15.275 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.592 -7.529 -16.650 1.00 0.00 H new ATOM 0 HB3 ALA A 22 72.111 -6.489 -15.288 1.00 0.00 H new ATOM 376 N LEU A 23 68.715 -7.879 -15.204 1.00 0.00 N ATOM 377 CA LEU A 23 67.648 -7.793 -14.216 1.00 0.00 C ATOM 378 C LEU A 23 68.055 -8.501 -12.928 1.00 0.00 C ATOM 379 O LEU A 23 68.787 -9.491 -12.959 1.00 0.00 O ATOM 380 CB LEU A 23 66.366 -8.427 -14.764 1.00 0.00 C ATOM 381 CG LEU A 23 65.891 -7.645 -15.993 1.00 0.00 C ATOM 382 CD1 LEU A 23 66.555 -8.199 -17.258 1.00 0.00 C ATOM 383 CD2 LEU A 23 64.371 -7.774 -16.120 1.00 0.00 C ATOM 0 H LEU A 23 68.874 -8.815 -15.576 1.00 0.00 H new ATOM 0 HA LEU A 23 67.466 -6.740 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.548 -9.468 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.591 -8.425 -13.998 1.00 0.00 H new ATOM 0 HG LEU A 23 66.165 -6.596 -15.876 1.00 0.00 H new ATOM 0 HD11 LEU A 23 66.211 -7.636 -18.126 1.00 0.00 H new ATOM 0 HD12 LEU A 23 67.638 -8.106 -17.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 66.290 -9.249 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.030 -7.218 -16.994 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.103 -8.825 -16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 63.896 -7.371 -15.226 1.00 0.00 H new ATOM 395 N LEU A 24 67.578 -7.993 -11.797 1.00 0.00 N ATOM 396 CA LEU A 24 67.899 -8.596 -10.508 1.00 0.00 C ATOM 397 C LEU A 24 66.985 -9.788 -10.246 1.00 0.00 C ATOM 398 O LEU A 24 65.803 -9.755 -10.588 1.00 0.00 O ATOM 399 CB LEU A 24 67.728 -7.566 -9.388 1.00 0.00 C ATOM 400 CG LEU A 24 68.527 -6.305 -9.719 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.457 -5.333 -8.539 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.986 -6.681 -9.985 1.00 0.00 C ATOM 0 H LEU A 24 66.973 -7.173 -11.746 1.00 0.00 H new ATOM 0 HA LEU A 24 68.935 -8.934 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.673 -7.318 -9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.068 -7.985 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 24 68.107 -5.831 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.026 -4.434 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.418 -5.065 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.877 -5.807 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.556 -5.782 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.407 -7.155 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.036 -7.373 -10.825 1.00 0.00 H new ATOM 414 N ASP A 25 67.534 -10.844 -9.651 1.00 0.00 N ATOM 415 CA ASP A 25 66.740 -12.036 -9.372 1.00 0.00 C ATOM 416 C ASP A 25 66.263 -12.058 -7.921 1.00 0.00 C ATOM 417 O ASP A 25 66.760 -11.314 -7.076 1.00 0.00 O ATOM 418 CB ASP A 25 67.566 -13.290 -9.644 1.00 0.00 C ATOM 419 CG ASP A 25 68.582 -13.490 -8.529 1.00 0.00 C ATOM 420 OD1 ASP A 25 69.044 -12.499 -7.989 1.00 0.00 O ATOM 421 OD2 ASP A 25 68.884 -14.633 -8.233 1.00 0.00 O ATOM 0 H ASP A 25 68.509 -10.899 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 25 65.868 -12.014 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 25 66.912 -14.159 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.077 -13.199 -10.602 1.00 0.00 H new ATOM 426 N THR A 26 65.293 -12.926 -7.652 1.00 0.00 N ATOM 427 CA THR A 26 64.735 -13.067 -6.310 1.00 0.00 C ATOM 428 C THR A 26 65.778 -13.602 -5.332 1.00 0.00 C ATOM 429 O THR A 26 65.726 -13.312 -4.137 1.00 0.00 O ATOM 430 CB THR A 26 63.536 -14.017 -6.347 1.00 0.00 C ATOM 431 OG1 THR A 26 62.585 -13.540 -7.289 1.00 0.00 O ATOM 432 CG2 THR A 26 62.894 -14.089 -4.962 1.00 0.00 C ATOM 0 H THR A 26 64.875 -13.544 -8.347 1.00 0.00 H new ATOM 0 HA THR A 26 64.418 -12.082 -5.969 1.00 0.00 H new ATOM 0 HB THR A 26 63.871 -15.012 -6.640 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.817 -14.148 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 26 62.040 -14.766 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.624 -14.457 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 26 62.559 -13.095 -4.664 1.00 0.00 H new ATOM 440 N GLY A 27 66.722 -14.386 -5.843 1.00 0.00 N ATOM 441 CA GLY A 27 67.764 -14.955 -4.997 1.00 0.00 C ATOM 442 C GLY A 27 68.309 -16.247 -5.596 1.00 0.00 C ATOM 443 O GLY A 27 67.844 -17.338 -5.271 1.00 0.00 O ATOM 0 H GLY A 27 66.787 -14.640 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 27 68.574 -14.235 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 27 67.363 -15.152 -4.003 1.00 0.00 H new ATOM 447 N ALA A 28 69.302 -16.112 -6.464 1.00 0.00 N ATOM 448 CA ALA A 28 69.914 -17.276 -7.096 1.00 0.00 C ATOM 449 C ALA A 28 71.345 -17.462 -6.602 1.00 0.00 C ATOM 450 O ALA A 28 72.063 -16.489 -6.373 1.00 0.00 O ATOM 451 CB ALA A 28 69.912 -17.113 -8.617 1.00 0.00 C ATOM 0 H ALA A 28 69.700 -15.216 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 28 69.331 -18.157 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 28 70.371 -17.988 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.886 -17.013 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 28 70.477 -16.221 -8.888 1.00 0.00 H new ATOM 457 N ASP A 29 71.750 -18.716 -6.442 1.00 0.00 N ATOM 458 CA ASP A 29 73.098 -19.021 -5.977 1.00 0.00 C ATOM 459 C ASP A 29 74.145 -18.464 -6.938 1.00 0.00 C ATOM 460 O ASP A 29 75.204 -18.001 -6.515 1.00 0.00 O ATOM 461 CB ASP A 29 73.274 -20.536 -5.844 1.00 0.00 C ATOM 462 CG ASP A 29 72.402 -21.063 -4.709 1.00 0.00 C ATOM 463 OD1 ASP A 29 71.904 -20.251 -3.945 1.00 0.00 O ATOM 464 OD2 ASP A 29 72.247 -22.269 -4.617 1.00 0.00 O ATOM 0 H ASP A 29 71.169 -19.534 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 29 73.238 -18.551 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 29 73.003 -21.026 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 29 74.320 -20.774 -5.651 1.00 0.00 H new ATOM 469 N ASP A 30 73.846 -18.518 -8.233 1.00 0.00 N ATOM 470 CA ASP A 30 74.775 -18.021 -9.244 1.00 0.00 C ATOM 471 C ASP A 30 74.063 -17.104 -10.233 1.00 0.00 C ATOM 472 O ASP A 30 72.846 -16.925 -10.167 1.00 0.00 O ATOM 473 CB ASP A 30 75.401 -19.197 -9.997 1.00 0.00 C ATOM 474 CG ASP A 30 76.247 -20.036 -9.047 1.00 0.00 C ATOM 475 OD1 ASP A 30 76.568 -19.543 -7.977 1.00 0.00 O ATOM 476 OD2 ASP A 30 76.561 -21.161 -9.400 1.00 0.00 O ATOM 0 H ASP A 30 72.975 -18.897 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 30 75.555 -17.450 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.619 -19.813 -10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 30 76.018 -18.827 -10.816 1.00 0.00 H new ATOM 481 N THR A 31 74.832 -16.526 -11.153 1.00 0.00 N ATOM 482 CA THR A 31 74.269 -15.629 -12.158 1.00 0.00 C ATOM 483 C THR A 31 74.402 -16.243 -13.547 1.00 0.00 C ATOM 484 O THR A 31 75.308 -17.040 -13.794 1.00 0.00 O ATOM 485 CB THR A 31 75.011 -14.291 -12.127 1.00 0.00 C ATOM 486 OG1 THR A 31 76.258 -14.431 -12.793 1.00 0.00 O ATOM 487 CG2 THR A 31 75.252 -13.872 -10.677 1.00 0.00 C ATOM 0 H THR A 31 75.840 -16.662 -11.223 1.00 0.00 H new ATOM 0 HA THR A 31 73.214 -15.472 -11.935 1.00 0.00 H new ATOM 0 HB THR A 31 74.412 -13.530 -12.627 1.00 0.00 H new ATOM 0 HG1 THR A 31 76.735 -13.575 -12.777 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.781 -12.919 -10.657 1.00 0.00 H new ATOM 0 HG22 THR A 31 74.296 -13.768 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 31 75.852 -14.630 -10.174 1.00 0.00 H new ATOM 495 N VAL A 32 73.507 -15.866 -14.455 1.00 0.00 N ATOM 496 CA VAL A 32 73.560 -16.394 -15.817 1.00 0.00 C ATOM 497 C VAL A 32 73.296 -15.288 -16.832 1.00 0.00 C ATOM 498 O VAL A 32 72.402 -14.463 -16.647 1.00 0.00 O ATOM 499 CB VAL A 32 72.532 -17.517 -15.994 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.797 -18.626 -14.974 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.122 -16.964 -15.783 1.00 0.00 C ATOM 0 H VAL A 32 72.748 -15.208 -14.279 1.00 0.00 H new ATOM 0 HA VAL A 32 74.559 -16.796 -15.988 1.00 0.00 H new ATOM 0 HB VAL A 32 72.618 -17.922 -17.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.064 -19.422 -15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.799 -19.027 -15.125 1.00 0.00 H new ATOM 0 HG13 VAL A 32 72.717 -18.220 -13.966 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.394 -17.765 -15.910 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.039 -16.554 -14.776 1.00 0.00 H new ATOM 0 HG23 VAL A 32 70.927 -16.178 -16.512 1.00 0.00 H new ATOM 511 N ILE A 33 74.078 -15.278 -17.909 1.00 0.00 N ATOM 512 CA ILE A 33 73.913 -14.267 -18.947 1.00 0.00 C ATOM 513 C ILE A 33 73.889 -14.907 -20.332 1.00 0.00 C ATOM 514 O ILE A 33 74.387 -16.017 -20.521 1.00 0.00 O ATOM 515 CB ILE A 33 75.048 -13.242 -18.861 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.389 -13.914 -19.181 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.099 -12.659 -17.448 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.502 -12.863 -19.171 1.00 0.00 C ATOM 0 H ILE A 33 74.824 -15.951 -18.084 1.00 0.00 H new ATOM 0 HA ILE A 33 72.960 -13.763 -18.788 1.00 0.00 H new ATOM 0 HB ILE A 33 74.865 -12.446 -19.583 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.602 -14.692 -18.448 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.341 -14.399 -20.156 1.00 0.00 H new ATOM 0 HG21 ILE A 33 75.906 -11.929 -17.384 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.151 -12.172 -17.221 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.277 -13.460 -16.730 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.455 -13.340 -19.398 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.290 -12.101 -19.921 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.555 -12.398 -18.186 1.00 0.00 H new ATOM 530 N GLU A 34 73.318 -14.195 -21.300 1.00 0.00 N ATOM 531 CA GLU A 34 73.253 -14.708 -22.664 1.00 0.00 C ATOM 532 C GLU A 34 74.527 -14.353 -23.427 1.00 0.00 C ATOM 533 O GLU A 34 74.956 -13.201 -23.442 1.00 0.00 O ATOM 534 CB GLU A 34 72.036 -14.125 -23.386 1.00 0.00 C ATOM 535 CG GLU A 34 71.964 -14.689 -24.808 1.00 0.00 C ATOM 536 CD GLU A 34 71.802 -16.205 -24.765 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.351 -16.706 -23.748 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.132 -16.844 -25.751 1.00 0.00 O ATOM 0 H GLU A 34 72.899 -13.274 -21.168 1.00 0.00 H new ATOM 0 HA GLU A 34 73.159 -15.793 -22.623 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.125 -14.370 -22.840 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.106 -13.038 -23.418 1.00 0.00 H new ATOM 0 HG2 GLU A 34 71.126 -14.241 -25.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 72.869 -14.428 -25.357 1.00 0.00 H new ATOM 545 N GLU A 35 75.132 -15.363 -24.043 1.00 0.00 N ATOM 546 CA GLU A 35 76.370 -15.163 -24.791 1.00 0.00 C ATOM 547 C GLU A 35 76.219 -14.041 -25.814 1.00 0.00 C ATOM 548 O GLU A 35 75.197 -13.932 -26.491 1.00 0.00 O ATOM 549 CB GLU A 35 76.763 -16.458 -25.504 1.00 0.00 C ATOM 550 CG GLU A 35 78.140 -16.290 -26.148 1.00 0.00 C ATOM 551 CD GLU A 35 78.501 -17.541 -26.942 1.00 0.00 C ATOM 552 OE1 GLU A 35 77.693 -18.455 -26.968 1.00 0.00 O ATOM 553 OE2 GLU A 35 79.578 -17.568 -27.512 1.00 0.00 O ATOM 0 H GLU A 35 74.789 -16.323 -24.040 1.00 0.00 H new ATOM 0 HA GLU A 35 77.151 -14.882 -24.084 1.00 0.00 H new ATOM 0 HB2 GLU A 35 76.780 -17.285 -24.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 76.022 -16.706 -26.264 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.140 -15.420 -26.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 78.891 -16.108 -25.379 1.00 0.00 H new ATOM 560 N MET A 36 77.256 -13.212 -25.911 1.00 0.00 N ATOM 561 CA MET A 36 77.262 -12.089 -26.844 1.00 0.00 C ATOM 562 C MET A 36 78.561 -11.302 -26.705 1.00 0.00 C ATOM 563 O MET A 36 78.774 -10.304 -27.394 1.00 0.00 O ATOM 564 CB MET A 36 76.075 -11.162 -26.565 1.00 0.00 C ATOM 565 CG MET A 36 75.106 -11.191 -27.750 1.00 0.00 C ATOM 566 SD MET A 36 73.782 -9.985 -27.480 1.00 0.00 S ATOM 567 CE MET A 36 74.772 -8.490 -27.729 1.00 0.00 C ATOM 0 H MET A 36 78.105 -13.298 -25.353 1.00 0.00 H new ATOM 0 HA MET A 36 77.181 -12.480 -27.858 1.00 0.00 H new ATOM 0 HB2 MET A 36 75.562 -11.476 -25.656 1.00 0.00 H new ATOM 0 HB3 MET A 36 76.428 -10.145 -26.397 1.00 0.00 H new ATOM 0 HG2 MET A 36 75.638 -10.962 -28.674 1.00 0.00 H new ATOM 0 HG3 MET A 36 74.685 -12.190 -27.864 1.00 0.00 H new ATOM 0 HE1 MET A 36 74.205 -7.772 -28.322 1.00 0.00 H new ATOM 0 HE2 MET A 36 75.016 -8.050 -26.762 1.00 0.00 H new ATOM 0 HE3 MET A 36 75.692 -8.746 -28.253 1.00 0.00 H new ATOM 577 N SER A 37 79.425 -11.761 -25.805 1.00 0.00 N ATOM 578 CA SER A 37 80.702 -11.098 -25.569 1.00 0.00 C ATOM 579 C SER A 37 81.641 -12.007 -24.785 1.00 0.00 C ATOM 580 O SER A 37 81.600 -13.230 -24.922 1.00 0.00 O ATOM 581 CB SER A 37 80.481 -9.802 -24.790 1.00 0.00 C ATOM 582 OG SER A 37 81.734 -9.171 -24.563 1.00 0.00 O ATOM 0 H SER A 37 79.264 -12.587 -25.229 1.00 0.00 H new ATOM 0 HA SER A 37 81.155 -10.871 -26.534 1.00 0.00 H new ATOM 0 HB2 SER A 37 79.822 -9.137 -25.348 1.00 0.00 H new ATOM 0 HB3 SER A 37 79.990 -10.014 -23.840 1.00 0.00 H new ATOM 0 HG SER A 37 81.596 -8.338 -24.065 1.00 0.00 H new ATOM 588 N LEU A 38 82.482 -11.397 -23.959 1.00 0.00 N ATOM 589 CA LEU A 38 83.430 -12.147 -23.143 1.00 0.00 C ATOM 590 C LEU A 38 84.460 -12.869 -24.009 1.00 0.00 C ATOM 591 O LEU A 38 84.491 -14.098 -24.057 1.00 0.00 O ATOM 592 CB LEU A 38 82.682 -13.166 -22.281 1.00 0.00 C ATOM 593 CG LEU A 38 81.447 -12.506 -21.665 1.00 0.00 C ATOM 594 CD1 LEU A 38 80.862 -13.419 -20.585 1.00 0.00 C ATOM 595 CD2 LEU A 38 81.845 -11.168 -21.039 1.00 0.00 C ATOM 0 H LEU A 38 82.527 -10.385 -23.836 1.00 0.00 H new ATOM 0 HA LEU A 38 83.957 -11.438 -22.504 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.386 -14.022 -22.887 1.00 0.00 H new ATOM 0 HB3 LEU A 38 83.336 -13.543 -21.495 1.00 0.00 H new ATOM 0 HG LEU A 38 80.700 -12.339 -22.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 79.982 -12.947 -20.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 80.579 -14.373 -21.029 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.608 -13.588 -19.808 1.00 0.00 H new ATOM 0 HD21 LEU A 38 80.966 -10.696 -20.600 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.592 -11.337 -20.264 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.261 -10.516 -21.807 1.00 0.00 H new ATOM 607 N PRO A 39 85.305 -12.128 -24.677 1.00 0.00 N ATOM 608 CA PRO A 39 86.370 -12.705 -25.552 1.00 0.00 C ATOM 609 C PRO A 39 87.371 -13.534 -24.748 1.00 0.00 C ATOM 610 O PRO A 39 87.665 -13.218 -23.595 1.00 0.00 O ATOM 611 CB PRO A 39 87.059 -11.480 -26.172 1.00 0.00 C ATOM 612 CG PRO A 39 86.151 -10.321 -25.922 1.00 0.00 C ATOM 613 CD PRO A 39 85.339 -10.661 -24.676 1.00 0.00 C ATOM 0 HA PRO A 39 85.957 -13.382 -26.300 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.037 -11.313 -25.720 1.00 0.00 H new ATOM 0 HB3 PRO A 39 87.222 -11.624 -27.240 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.724 -9.406 -25.773 1.00 0.00 H new ATOM 0 HG3 PRO A 39 85.496 -10.151 -26.776 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.808 -10.271 -23.773 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.336 -10.237 -24.723 1.00 0.00 H new ATOM 621 N GLY A 40 87.894 -14.590 -25.362 1.00 0.00 N ATOM 622 CA GLY A 40 88.863 -15.447 -24.686 1.00 0.00 C ATOM 623 C GLY A 40 88.414 -16.903 -24.699 1.00 0.00 C ATOM 624 O GLY A 40 87.589 -17.304 -25.521 1.00 0.00 O ATOM 0 H GLY A 40 87.667 -14.872 -26.316 1.00 0.00 H new ATOM 0 HA2 GLY A 40 89.834 -15.359 -25.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 88.992 -15.113 -23.657 1.00 0.00 H new ATOM 628 N ARG A 41 88.968 -17.692 -23.783 1.00 0.00 N ATOM 629 CA ARG A 41 88.626 -19.108 -23.696 1.00 0.00 C ATOM 630 C ARG A 41 87.544 -19.337 -22.644 1.00 0.00 C ATOM 631 O ARG A 41 87.475 -18.623 -21.644 1.00 0.00 O ATOM 632 CB ARG A 41 89.872 -19.923 -23.344 1.00 0.00 C ATOM 633 CG ARG A 41 89.559 -21.417 -23.453 1.00 0.00 C ATOM 634 CD ARG A 41 90.808 -22.222 -23.084 1.00 0.00 C ATOM 635 NE ARG A 41 90.603 -23.652 -23.349 1.00 0.00 N ATOM 636 CZ ARG A 41 89.577 -24.337 -22.850 1.00 0.00 C ATOM 637 NH1 ARG A 41 88.800 -23.805 -21.946 1.00 0.00 N ATOM 638 NH2 ARG A 41 89.381 -25.572 -23.224 1.00 0.00 N ATOM 0 H ARG A 41 89.652 -17.377 -23.094 1.00 0.00 H new ATOM 0 HA ARG A 41 88.243 -19.432 -24.664 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.690 -19.663 -24.016 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.201 -19.683 -22.333 1.00 0.00 H new ATOM 0 HG2 ARG A 41 88.735 -21.677 -22.789 1.00 0.00 H new ATOM 0 HG3 ARG A 41 89.241 -21.661 -24.467 1.00 0.00 H new ATOM 0 HD2 ARG A 41 91.662 -21.860 -23.657 1.00 0.00 H new ATOM 0 HD3 ARG A 41 91.044 -22.073 -22.030 1.00 0.00 H new ATOM 0 HE ARG A 41 91.275 -24.141 -23.940 1.00 0.00 H new ATOM 0 HH11 ARG A 41 88.977 -22.856 -21.616 1.00 0.00 H new ATOM 0 HH12 ARG A 41 88.016 -24.338 -21.570 1.00 0.00 H new ATOM 0 HH21 ARG A 41 90.013 -26.008 -23.896 1.00 0.00 H new ATOM 0 HH22 ARG A 41 88.596 -26.101 -22.844 1.00 0.00 H new ATOM 652 N TRP A 42 86.694 -20.333 -22.883 1.00 0.00 N ATOM 653 CA TRP A 42 85.611 -20.644 -21.955 1.00 0.00 C ATOM 654 C TRP A 42 85.895 -21.932 -21.189 1.00 0.00 C ATOM 655 O TRP A 42 86.721 -22.747 -21.604 1.00 0.00 O ATOM 656 CB TRP A 42 84.294 -20.786 -22.721 1.00 0.00 C ATOM 657 CG TRP A 42 84.586 -21.075 -24.159 1.00 0.00 C ATOM 658 CD1 TRP A 42 84.770 -20.136 -25.116 1.00 0.00 C ATOM 659 CD2 TRP A 42 84.733 -22.367 -24.818 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.021 -20.770 -26.320 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.009 -22.143 -26.187 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.655 -23.696 -24.365 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.200 -23.200 -27.077 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.847 -24.763 -25.257 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.119 -24.516 -26.610 1.00 0.00 C ATOM 0 H TRP A 42 86.734 -20.935 -23.706 1.00 0.00 H new ATOM 0 HA TRP A 42 85.535 -19.826 -21.239 1.00 0.00 H new ATOM 0 HB2 TRP A 42 83.695 -21.589 -22.291 1.00 0.00 H new ATOM 0 HB3 TRP A 42 83.709 -19.870 -22.634 1.00 0.00 H new ATOM 0 HD1 TRP A 42 84.728 -19.067 -24.965 1.00 0.00 H new ATOM 0 HE1 TRP A 42 85.194 -20.282 -27.199 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.446 -23.897 -23.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 85.409 -23.004 -28.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.785 -25.780 -24.899 1.00 0.00 H new ATOM 0 HH2 TRP A 42 85.266 -25.341 -27.291 1.00 0.00 H new ATOM 676 N LYS A 43 85.200 -22.108 -20.069 1.00 0.00 N ATOM 677 CA LYS A 43 85.371 -23.298 -19.244 1.00 0.00 C ATOM 678 C LYS A 43 84.107 -24.165 -19.302 1.00 0.00 C ATOM 679 O LYS A 43 83.110 -23.851 -18.651 1.00 0.00 O ATOM 680 CB LYS A 43 85.636 -22.887 -17.795 1.00 0.00 C ATOM 681 CG LYS A 43 87.116 -23.094 -17.467 1.00 0.00 C ATOM 682 CD LYS A 43 87.448 -22.396 -16.146 1.00 0.00 C ATOM 683 CE LYS A 43 88.442 -23.245 -15.352 1.00 0.00 C ATOM 684 NZ LYS A 43 89.487 -23.779 -16.271 1.00 0.00 N ATOM 0 H LYS A 43 84.514 -21.442 -19.713 1.00 0.00 H new ATOM 0 HA LYS A 43 86.217 -23.871 -19.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.363 -21.842 -17.647 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.017 -23.478 -17.120 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.338 -24.159 -17.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.737 -22.693 -18.268 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.870 -21.410 -16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 43 86.538 -22.244 -15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.904 -22.645 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 43 87.922 -24.067 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 90.375 -23.914 -15.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 89.173 -24.691 -16.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.643 -23.106 -17.048 1.00 0.00 H new ATOM 698 N PRO A 44 84.115 -25.233 -20.067 1.00 0.00 N ATOM 699 CA PRO A 44 82.928 -26.129 -20.198 1.00 0.00 C ATOM 700 C PRO A 44 82.364 -26.564 -18.847 1.00 0.00 C ATOM 701 O PRO A 44 83.100 -26.997 -17.961 1.00 0.00 O ATOM 702 CB PRO A 44 83.459 -27.339 -20.971 1.00 0.00 C ATOM 703 CG PRO A 44 84.657 -26.846 -21.712 1.00 0.00 C ATOM 704 CD PRO A 44 85.243 -25.701 -20.891 1.00 0.00 C ATOM 0 HA PRO A 44 82.103 -25.621 -20.697 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.723 -28.152 -20.294 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.706 -27.728 -21.657 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.388 -27.644 -21.839 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.381 -26.505 -22.710 1.00 0.00 H new ATOM 0 HD2 PRO A 44 86.075 -26.039 -20.273 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.625 -24.906 -21.532 1.00 0.00 H new ATOM 712 N LYS A 45 81.046 -26.455 -18.711 1.00 0.00 N ATOM 713 CA LYS A 45 80.368 -26.843 -17.479 1.00 0.00 C ATOM 714 C LYS A 45 79.003 -27.443 -17.804 1.00 0.00 C ATOM 715 O LYS A 45 78.363 -27.048 -18.779 1.00 0.00 O ATOM 716 CB LYS A 45 80.187 -25.629 -16.567 1.00 0.00 C ATOM 717 CG LYS A 45 79.633 -26.085 -15.216 1.00 0.00 C ATOM 718 CD LYS A 45 79.372 -24.863 -14.332 1.00 0.00 C ATOM 719 CE LYS A 45 78.967 -25.323 -12.930 1.00 0.00 C ATOM 720 NZ LYS A 45 78.630 -24.136 -12.095 1.00 0.00 N ATOM 0 H LYS A 45 80.426 -26.101 -19.439 1.00 0.00 H new ATOM 0 HA LYS A 45 80.979 -27.586 -16.965 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.141 -25.120 -16.428 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.507 -24.912 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.710 -26.646 -15.360 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.341 -26.755 -14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.266 -24.242 -14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.583 -24.249 -14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.110 -25.994 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.781 -25.885 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.355 -24.449 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 79.459 -23.512 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.841 -23.618 -12.531 1.00 0.00 H new ATOM 734 N MET A 46 78.559 -28.395 -16.991 1.00 0.00 N ATOM 735 CA MET A 46 77.263 -29.026 -17.218 1.00 0.00 C ATOM 736 C MET A 46 76.276 -28.637 -16.122 1.00 0.00 C ATOM 737 O MET A 46 76.620 -28.618 -14.941 1.00 0.00 O ATOM 738 CB MET A 46 77.418 -30.548 -17.248 1.00 0.00 C ATOM 739 CG MET A 46 78.261 -30.958 -18.457 1.00 0.00 C ATOM 740 SD MET A 46 78.323 -32.765 -18.562 1.00 0.00 S ATOM 741 CE MET A 46 79.493 -32.875 -19.938 1.00 0.00 C ATOM 0 H MET A 46 79.069 -28.744 -16.179 1.00 0.00 H new ATOM 0 HA MET A 46 76.878 -28.681 -18.178 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.892 -30.893 -16.329 1.00 0.00 H new ATOM 0 HB3 MET A 46 76.438 -31.022 -17.299 1.00 0.00 H new ATOM 0 HG2 MET A 46 77.833 -30.544 -19.370 1.00 0.00 H new ATOM 0 HG3 MET A 46 79.269 -30.553 -18.366 1.00 0.00 H new ATOM 0 HE1 MET A 46 79.679 -33.923 -20.175 1.00 0.00 H new ATOM 0 HE2 MET A 46 79.076 -32.374 -20.811 1.00 0.00 H new ATOM 0 HE3 MET A 46 80.430 -32.395 -19.658 1.00 0.00 H new ATOM 751 N ILE A 47 75.046 -28.336 -16.526 1.00 0.00 N ATOM 752 CA ILE A 47 74.007 -27.959 -15.574 1.00 0.00 C ATOM 753 C ILE A 47 72.761 -28.811 -15.786 1.00 0.00 C ATOM 754 O ILE A 47 72.369 -29.080 -16.923 1.00 0.00 O ATOM 755 CB ILE A 47 73.657 -26.478 -15.732 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.510 -26.124 -14.781 1.00 0.00 C ATOM 757 CG2 ILE A 47 73.231 -26.203 -17.175 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.303 -24.608 -14.767 1.00 0.00 C ATOM 0 H ILE A 47 74.745 -28.346 -17.501 1.00 0.00 H new ATOM 0 HA ILE A 47 74.383 -28.129 -14.565 1.00 0.00 H new ATOM 0 HB ILE A 47 74.529 -25.870 -15.493 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.594 -26.623 -15.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.735 -26.480 -13.776 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.982 -25.148 -17.286 1.00 0.00 H new ATOM 0 HG22 ILE A 47 74.048 -26.456 -17.850 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.358 -26.809 -17.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 71.486 -24.359 -14.090 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.217 -24.119 -14.429 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.058 -24.265 -15.772 1.00 0.00 H new ATOM 817 N PHE A 53 69.934 -32.228 -19.221 1.00 0.00 N ATOM 818 CA PHE A 53 71.347 -31.868 -19.181 1.00 0.00 C ATOM 819 C PHE A 53 71.724 -31.015 -20.387 1.00 0.00 C ATOM 820 O PHE A 53 71.537 -31.426 -21.532 1.00 0.00 O ATOM 821 CB PHE A 53 72.204 -33.136 -19.164 1.00 0.00 C ATOM 822 CG PHE A 53 71.851 -33.967 -17.954 1.00 0.00 C ATOM 823 CD1 PHE A 53 72.473 -33.719 -16.725 1.00 0.00 C ATOM 824 CD2 PHE A 53 70.898 -34.988 -18.061 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.144 -34.491 -15.603 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.569 -35.759 -16.941 1.00 0.00 C ATOM 827 CZ PHE A 53 71.191 -35.511 -15.712 1.00 0.00 C ATOM 0 HA PHE A 53 71.528 -31.289 -18.275 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.038 -33.712 -20.075 1.00 0.00 H new ATOM 0 HB3 PHE A 53 73.261 -32.873 -19.141 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.207 -32.932 -16.641 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.417 -35.180 -19.009 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.625 -34.300 -14.655 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.834 -36.546 -17.025 1.00 0.00 H new ATOM 0 HZ PHE A 53 70.936 -36.106 -14.848 1.00 0.00 H new ATOM 837 N ILE A 54 72.261 -29.827 -20.123 1.00 0.00 N ATOM 838 CA ILE A 54 72.671 -28.923 -21.192 1.00 0.00 C ATOM 839 C ILE A 54 74.081 -28.405 -20.924 1.00 0.00 C ATOM 840 O ILE A 54 74.482 -28.252 -19.770 1.00 0.00 O ATOM 841 CB ILE A 54 71.692 -27.749 -21.295 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.122 -26.817 -22.431 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.674 -26.972 -19.978 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.909 -26.029 -22.930 1.00 0.00 C ATOM 0 H ILE A 54 72.422 -29.469 -19.181 1.00 0.00 H new ATOM 0 HA ILE A 54 72.666 -29.468 -22.136 1.00 0.00 H new ATOM 0 HB ILE A 54 70.693 -28.135 -21.500 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.895 -26.133 -22.082 1.00 0.00 H new ATOM 0 HG13 ILE A 54 72.554 -27.396 -23.247 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.976 -26.138 -20.057 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.360 -27.633 -19.170 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.673 -26.590 -19.767 1.00 0.00 H new ATOM 0 HD11 ILE A 54 71.214 -25.365 -23.739 1.00 0.00 H new ATOM 0 HD12 ILE A 54 70.151 -26.721 -23.295 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.497 -25.438 -22.112 1.00 0.00 H new ATOM 856 N LYS A 55 74.833 -28.143 -21.988 1.00 0.00 N ATOM 857 CA LYS A 55 76.196 -27.649 -21.834 1.00 0.00 C ATOM 858 C LYS A 55 76.222 -26.123 -21.837 1.00 0.00 C ATOM 859 O LYS A 55 75.666 -25.483 -22.729 1.00 0.00 O ATOM 860 CB LYS A 55 77.073 -28.177 -22.971 1.00 0.00 C ATOM 861 CG LYS A 55 77.171 -29.701 -22.875 1.00 0.00 C ATOM 862 CD LYS A 55 78.042 -30.235 -24.017 1.00 0.00 C ATOM 863 CE LYS A 55 79.488 -29.766 -23.831 1.00 0.00 C ATOM 864 NZ LYS A 55 80.417 -30.893 -24.125 1.00 0.00 N ATOM 0 H LYS A 55 74.527 -28.262 -22.954 1.00 0.00 H new ATOM 0 HA LYS A 55 76.583 -28.004 -20.879 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.651 -27.889 -23.934 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.067 -27.734 -22.914 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.598 -29.988 -21.914 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.176 -30.143 -22.926 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.003 -31.324 -24.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 77.657 -29.885 -24.975 1.00 0.00 H new ATOM 0 HE2 LYS A 55 79.697 -28.926 -24.493 1.00 0.00 H new ATOM 0 HE3 LYS A 55 79.639 -29.413 -22.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.399 -30.575 -23.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.222 -31.682 -23.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.279 -31.210 -25.106 1.00 0.00 H new ATOM 878 N VAL A 56 76.871 -25.549 -20.830 1.00 0.00 N ATOM 879 CA VAL A 56 76.968 -24.099 -20.716 1.00 0.00 C ATOM 880 C VAL A 56 78.425 -23.674 -20.571 1.00 0.00 C ATOM 881 O VAL A 56 79.286 -24.488 -20.236 1.00 0.00 O ATOM 882 CB VAL A 56 76.167 -23.615 -19.506 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.708 -24.052 -19.653 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.753 -24.223 -18.229 1.00 0.00 C ATOM 0 H VAL A 56 77.337 -26.064 -20.083 1.00 0.00 H new ATOM 0 HA VAL A 56 76.558 -23.651 -21.621 1.00 0.00 H new ATOM 0 HB VAL A 56 76.218 -22.528 -19.448 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.136 -23.708 -18.791 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.289 -23.621 -20.562 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.658 -25.139 -19.711 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.182 -23.878 -17.367 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.702 -25.310 -18.287 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.793 -23.914 -18.123 1.00 0.00 H new ATOM 894 N ARG A 57 78.698 -22.399 -20.828 1.00 0.00 N ATOM 895 CA ARG A 57 80.062 -21.890 -20.724 1.00 0.00 C ATOM 896 C ARG A 57 80.204 -20.965 -19.520 1.00 0.00 C ATOM 897 O ARG A 57 79.393 -20.060 -19.319 1.00 0.00 O ATOM 898 CB ARG A 57 80.439 -21.134 -21.999 1.00 0.00 C ATOM 899 CG ARG A 57 80.468 -22.107 -23.178 1.00 0.00 C ATOM 900 CD ARG A 57 80.970 -21.383 -24.427 1.00 0.00 C ATOM 901 NE ARG A 57 80.851 -22.249 -25.595 1.00 0.00 N ATOM 902 CZ ARG A 57 80.928 -21.756 -26.826 1.00 0.00 C ATOM 903 NH1 ARG A 57 81.101 -20.476 -27.007 1.00 0.00 N ATOM 904 NH2 ARG A 57 80.831 -22.553 -27.855 1.00 0.00 N ATOM 0 H ARG A 57 78.003 -21.706 -21.106 1.00 0.00 H new ATOM 0 HA ARG A 57 80.733 -22.739 -20.594 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.720 -20.337 -22.189 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.414 -20.661 -21.880 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.117 -22.952 -22.949 1.00 0.00 H new ATOM 0 HG3 ARG A 57 79.471 -22.510 -23.355 1.00 0.00 H new ATOM 0 HD2 ARG A 57 80.395 -20.470 -24.582 1.00 0.00 H new ATOM 0 HD3 ARG A 57 82.010 -21.086 -24.290 1.00 0.00 H new ATOM 0 HE ARG A 57 80.706 -23.250 -25.464 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.177 -19.853 -26.203 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.160 -20.098 -27.953 1.00 0.00 H new ATOM 0 HH21 ARG A 57 80.696 -23.554 -27.714 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.890 -22.175 -28.800 1.00 0.00 H new ATOM 918 N GLN A 58 81.236 -21.209 -18.719 1.00 0.00 N ATOM 919 CA GLN A 58 81.474 -20.401 -17.528 1.00 0.00 C ATOM 920 C GLN A 58 82.691 -19.502 -17.704 1.00 0.00 C ATOM 921 O GLN A 58 83.758 -19.962 -18.112 1.00 0.00 O ATOM 922 CB GLN A 58 81.689 -21.312 -16.316 1.00 0.00 C ATOM 923 CG GLN A 58 81.811 -20.459 -15.051 1.00 0.00 C ATOM 924 CD GLN A 58 82.113 -21.348 -13.849 1.00 0.00 C ATOM 925 OE1 GLN A 58 83.102 -22.081 -13.850 1.00 0.00 O ATOM 926 NE2 GLN A 58 81.317 -21.325 -12.815 1.00 0.00 N ATOM 0 H GLN A 58 81.916 -21.954 -18.871 1.00 0.00 H new ATOM 0 HA GLN A 58 80.599 -19.771 -17.370 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.856 -22.008 -16.219 1.00 0.00 H new ATOM 0 HB3 GLN A 58 82.590 -21.910 -16.452 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.603 -19.720 -15.176 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.885 -19.909 -14.883 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.498 -20.717 -12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.514 -21.915 -12.006 1.00 0.00 H new ATOM 935 N TYR A 59 82.532 -18.220 -17.380 1.00 0.00 N ATOM 936 CA TYR A 59 83.642 -17.285 -17.497 1.00 0.00 C ATOM 937 C TYR A 59 84.175 -16.922 -16.116 1.00 0.00 C ATOM 938 O TYR A 59 83.453 -16.375 -15.282 1.00 0.00 O ATOM 939 CB TYR A 59 83.199 -16.018 -18.232 1.00 0.00 C ATOM 940 CG TYR A 59 83.641 -16.102 -19.673 1.00 0.00 C ATOM 941 CD1 TYR A 59 84.977 -15.847 -20.007 1.00 0.00 C ATOM 942 CD2 TYR A 59 82.721 -16.434 -20.673 1.00 0.00 C ATOM 943 CE1 TYR A 59 85.393 -15.928 -21.340 1.00 0.00 C ATOM 944 CE2 TYR A 59 83.137 -16.514 -22.007 1.00 0.00 C ATOM 945 CZ TYR A 59 84.473 -16.260 -22.342 1.00 0.00 C ATOM 946 OH TYR A 59 84.883 -16.340 -23.656 1.00 0.00 O ATOM 0 H TYR A 59 81.660 -17.813 -17.041 1.00 0.00 H new ATOM 0 HA TYR A 59 84.436 -17.764 -18.069 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.116 -15.911 -18.177 1.00 0.00 H new ATOM 0 HB3 TYR A 59 83.631 -15.137 -17.757 1.00 0.00 H new ATOM 0 HD1 TYR A 59 85.686 -15.588 -19.235 1.00 0.00 H new ATOM 0 HD2 TYR A 59 81.690 -16.628 -20.416 1.00 0.00 H new ATOM 0 HE1 TYR A 59 86.424 -15.734 -21.596 1.00 0.00 H new ATOM 0 HE2 TYR A 59 82.427 -16.772 -22.779 1.00 0.00 H new ATOM 0 HH TYR A 59 84.944 -15.438 -24.035 1.00 0.00 H new ATOM 956 N ASP A 60 85.441 -17.247 -15.880 1.00 0.00 N ATOM 957 CA ASP A 60 86.068 -16.969 -14.595 1.00 0.00 C ATOM 958 C ASP A 60 87.092 -15.844 -14.718 1.00 0.00 C ATOM 959 O ASP A 60 87.571 -15.543 -15.810 1.00 0.00 O ATOM 960 CB ASP A 60 86.757 -18.230 -14.071 1.00 0.00 C ATOM 961 CG ASP A 60 85.721 -19.314 -13.796 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.550 -18.982 -13.729 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.114 -20.461 -13.657 1.00 0.00 O ATOM 0 H ASP A 60 86.051 -17.702 -16.560 1.00 0.00 H new ATOM 0 HA ASP A 60 85.291 -16.656 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.484 -18.587 -14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.307 -18.001 -13.158 1.00 0.00 H new ATOM 968 N GLN A 61 87.423 -15.235 -13.584 1.00 0.00 N ATOM 969 CA GLN A 61 88.397 -14.149 -13.553 1.00 0.00 C ATOM 970 C GLN A 61 87.945 -12.977 -14.416 1.00 0.00 C ATOM 971 O GLN A 61 88.753 -12.362 -15.114 1.00 0.00 O ATOM 972 CB GLN A 61 89.756 -14.649 -14.045 1.00 0.00 C ATOM 973 CG GLN A 61 90.242 -15.782 -13.142 1.00 0.00 C ATOM 974 CD GLN A 61 91.586 -16.299 -13.637 1.00 0.00 C ATOM 975 OE1 GLN A 61 91.944 -16.089 -14.797 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.360 -16.965 -12.824 1.00 0.00 N ATOM 0 H GLN A 61 87.031 -15.475 -12.674 1.00 0.00 H new ATOM 0 HA GLN A 61 88.483 -13.806 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.675 -14.999 -15.074 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.478 -13.833 -14.042 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.335 -15.426 -12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.512 -16.591 -13.134 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.062 -17.138 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.262 -17.312 -13.149 1.00 0.00 H new ATOM 985 N ILE A 62 86.655 -12.671 -14.370 1.00 0.00 N ATOM 986 CA ILE A 62 86.114 -11.570 -15.159 1.00 0.00 C ATOM 987 C ILE A 62 85.651 -10.440 -14.246 1.00 0.00 C ATOM 988 O ILE A 62 85.088 -10.681 -13.176 1.00 0.00 O ATOM 989 CB ILE A 62 84.940 -12.064 -16.004 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.340 -10.889 -16.778 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.873 -12.672 -15.093 1.00 0.00 C ATOM 992 CD1 ILE A 62 83.425 -11.422 -17.881 1.00 0.00 C ATOM 0 H ILE A 62 85.968 -13.164 -13.800 1.00 0.00 H new ATOM 0 HA ILE A 62 86.898 -11.193 -15.816 1.00 0.00 H new ATOM 0 HB ILE A 62 85.291 -12.821 -16.705 1.00 0.00 H new ATOM 0 HG12 ILE A 62 83.777 -10.244 -16.103 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.134 -10.281 -17.211 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.036 -13.024 -15.697 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.300 -13.510 -14.541 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.521 -11.917 -14.390 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.996 -10.586 -18.434 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.002 -12.049 -18.561 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.624 -12.012 -17.436 1.00 0.00 H new ATOM 1004 N ILE A 63 85.907 -9.205 -14.670 1.00 0.00 N ATOM 1005 CA ILE A 63 85.530 -8.046 -13.879 1.00 0.00 C ATOM 1006 C ILE A 63 84.258 -7.402 -14.422 1.00 0.00 C ATOM 1007 O ILE A 63 84.093 -7.243 -15.632 1.00 0.00 O ATOM 1008 CB ILE A 63 86.679 -7.034 -13.891 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.844 -6.440 -15.296 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.979 -7.733 -13.488 1.00 0.00 C ATOM 1011 CD1 ILE A 63 88.019 -5.460 -15.297 1.00 0.00 C ATOM 0 H ILE A 63 86.371 -8.986 -15.552 1.00 0.00 H new ATOM 0 HA ILE A 63 85.332 -8.367 -12.856 1.00 0.00 H new ATOM 0 HB ILE A 63 86.453 -6.234 -13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.018 -7.235 -16.021 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.929 -5.929 -15.597 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.797 -7.013 -13.496 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.873 -8.150 -12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.195 -8.535 -14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 88.139 -5.036 -16.294 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.825 -4.659 -14.583 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.931 -5.985 -15.014 1.00 0.00 H new ATOM 1023 N ILE A 64 83.362 -7.035 -13.512 1.00 0.00 N ATOM 1024 CA ILE A 64 82.105 -6.404 -13.896 1.00 0.00 C ATOM 1025 C ILE A 64 81.991 -5.030 -13.246 1.00 0.00 C ATOM 1026 O ILE A 64 82.290 -4.871 -12.063 1.00 0.00 O ATOM 1027 CB ILE A 64 80.928 -7.278 -13.463 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.066 -8.666 -14.100 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.620 -6.631 -13.924 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.985 -9.599 -13.549 1.00 0.00 C ATOM 0 H ILE A 64 83.482 -7.163 -12.507 1.00 0.00 H new ATOM 0 HA ILE A 64 82.086 -6.289 -14.980 1.00 0.00 H new ATOM 0 HB ILE A 64 80.922 -7.375 -12.377 1.00 0.00 H new ATOM 0 HG12 ILE A 64 80.976 -8.590 -15.184 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.054 -9.076 -13.891 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.779 -7.252 -13.617 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.525 -5.643 -13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.624 -6.537 -15.010 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.087 -10.584 -14.005 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.096 -9.686 -12.468 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.001 -9.192 -13.781 1.00 0.00 H new ATOM 1042 N GLU A 65 81.568 -4.038 -14.021 1.00 0.00 N ATOM 1043 CA GLU A 65 81.436 -2.688 -13.489 1.00 0.00 C ATOM 1044 C GLU A 65 79.984 -2.381 -13.143 1.00 0.00 C ATOM 1045 O GLU A 65 79.106 -2.418 -14.006 1.00 0.00 O ATOM 1046 CB GLU A 65 81.938 -1.670 -14.516 1.00 0.00 C ATOM 1047 CG GLU A 65 83.384 -1.996 -14.890 1.00 0.00 C ATOM 1048 CD GLU A 65 83.937 -0.921 -15.821 1.00 0.00 C ATOM 1049 OE1 GLU A 65 83.157 -0.097 -16.271 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.131 -0.938 -16.071 1.00 0.00 O ATOM 0 H GLU A 65 81.314 -4.140 -15.004 1.00 0.00 H new ATOM 0 HA GLU A 65 82.036 -2.621 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.307 -1.692 -15.405 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.875 -0.662 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.996 -2.059 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.432 -2.970 -15.377 1.00 0.00 H new ATOM 1057 N ILE A 66 79.740 -2.072 -11.873 1.00 0.00 N ATOM 1058 CA ILE A 66 78.396 -1.754 -11.415 1.00 0.00 C ATOM 1059 C ILE A 66 78.204 -0.239 -11.414 1.00 0.00 C ATOM 1060 O ILE A 66 78.891 0.470 -12.147 1.00 0.00 O ATOM 1061 CB ILE A 66 78.183 -2.319 -10.004 1.00 0.00 C ATOM 1062 CG1 ILE A 66 78.660 -3.772 -9.970 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.695 -2.276 -9.636 1.00 0.00 C ATOM 1064 CD1 ILE A 66 78.532 -4.319 -8.547 1.00 0.00 C ATOM 0 H ILE A 66 80.455 -2.036 -11.146 1.00 0.00 H new ATOM 0 HA ILE A 66 77.665 -2.204 -12.087 1.00 0.00 H new ATOM 0 HB ILE A 66 78.747 -1.718 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 78.068 -4.376 -10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 66 79.696 -3.833 -10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 66 76.556 -2.679 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.343 -1.245 -9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 66 76.126 -2.873 -10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 78.872 -5.354 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 79.143 -3.721 -7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 66 77.490 -4.272 -8.232 1.00 0.00 H new ATOM 1076 N ALA A 67 77.282 0.254 -10.593 1.00 0.00 N ATOM 1077 CA ALA A 67 77.028 1.688 -10.520 1.00 0.00 C ATOM 1078 C ALA A 67 78.302 2.450 -10.169 1.00 0.00 C ATOM 1079 O ALA A 67 78.443 2.964 -9.060 1.00 0.00 O ATOM 1080 CB ALA A 67 75.956 1.975 -9.467 1.00 0.00 C ATOM 0 H ALA A 67 76.703 -0.313 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 67 76.680 2.022 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.772 3.048 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.034 1.460 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.298 1.621 -8.494 1.00 0.00 H new ATOM 1086 N GLY A 68 79.222 2.527 -11.125 1.00 0.00 N ATOM 1087 CA GLY A 68 80.474 3.238 -10.914 1.00 0.00 C ATOM 1088 C GLY A 68 81.418 2.456 -10.004 1.00 0.00 C ATOM 1089 O GLY A 68 82.371 3.019 -9.466 1.00 0.00 O ATOM 0 H GLY A 68 79.123 2.107 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.958 3.416 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.269 4.214 -10.474 1.00 0.00 H new ATOM 1093 N HIS A 69 81.155 1.161 -9.829 1.00 0.00 N ATOM 1094 CA HIS A 69 82.007 0.340 -8.970 1.00 0.00 C ATOM 1095 C HIS A 69 82.467 -0.920 -9.696 1.00 0.00 C ATOM 1096 O HIS A 69 81.713 -1.517 -10.461 1.00 0.00 O ATOM 1097 CB HIS A 69 81.252 -0.051 -7.698 1.00 0.00 C ATOM 1098 CG HIS A 69 80.992 1.177 -6.869 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.019 1.931 -6.324 1.00 0.00 N ATOM 1100 CD2 HIS A 69 79.828 1.791 -6.478 1.00 0.00 C ATOM 1101 CE1 HIS A 69 81.459 2.946 -5.642 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.125 2.908 -5.704 1.00 0.00 N ATOM 0 H HIS A 69 80.375 0.666 -10.261 1.00 0.00 H new ATOM 0 HA HIS A 69 82.885 0.930 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.310 -0.534 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.834 -0.773 -7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 69 78.833 1.457 -6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 69 82.019 3.700 -5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 69 79.466 3.558 -5.276 1.00 0.00 H new ATOM 1111 N LYS A 70 83.712 -1.317 -9.451 1.00 0.00 N ATOM 1112 CA LYS A 70 84.266 -2.508 -10.089 1.00 0.00 C ATOM 1113 C LYS A 70 84.122 -3.724 -9.177 1.00 0.00 C ATOM 1114 O LYS A 70 84.267 -3.620 -7.958 1.00 0.00 O ATOM 1115 CB LYS A 70 85.745 -2.286 -10.412 1.00 0.00 C ATOM 1116 CG LYS A 70 85.888 -1.127 -11.400 1.00 0.00 C ATOM 1117 CD LYS A 70 87.351 -1.001 -11.829 1.00 0.00 C ATOM 1118 CE LYS A 70 87.521 0.235 -12.713 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.909 0.269 -13.254 1.00 0.00 N ATOM 0 H LYS A 70 84.353 -0.836 -8.820 1.00 0.00 H new ATOM 0 HA LYS A 70 83.714 -2.692 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.298 -2.068 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.175 -3.193 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.256 -1.298 -12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.552 -0.198 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.993 -0.924 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.660 -1.894 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 86.801 0.213 -13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 70 87.321 1.138 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 89.027 1.109 -13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.588 0.309 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 89.083 -0.588 -13.818 1.00 0.00 H new ATOM 1133 N ALA A 71 83.842 -4.879 -9.776 1.00 0.00 N ATOM 1134 CA ALA A 71 83.688 -6.113 -9.008 1.00 0.00 C ATOM 1135 C ALA A 71 84.170 -7.311 -9.823 1.00 0.00 C ATOM 1136 O ALA A 71 84.093 -7.308 -11.051 1.00 0.00 O ATOM 1137 CB ALA A 71 82.220 -6.310 -8.627 1.00 0.00 C ATOM 0 H ALA A 71 83.718 -4.987 -10.783 1.00 0.00 H new ATOM 0 HA ALA A 71 84.290 -6.036 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.113 -7.232 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.885 -5.467 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.615 -6.372 -9.531 1.00 0.00 H new ATOM 1143 N ILE A 72 84.671 -8.334 -9.134 1.00 0.00 N ATOM 1144 CA ILE A 72 85.165 -9.527 -9.816 1.00 0.00 C ATOM 1145 C ILE A 72 84.438 -10.777 -9.324 1.00 0.00 C ATOM 1146 O ILE A 72 84.391 -11.043 -8.124 1.00 0.00 O ATOM 1147 CB ILE A 72 86.666 -9.679 -9.565 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.377 -8.384 -9.956 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.214 -10.832 -10.408 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.864 -8.490 -9.609 1.00 0.00 C ATOM 0 H ILE A 72 84.745 -8.362 -8.117 1.00 0.00 H new ATOM 0 HA ILE A 72 84.978 -9.414 -10.884 1.00 0.00 H new ATOM 0 HB ILE A 72 86.838 -9.889 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.255 -8.198 -11.023 1.00 0.00 H new ATOM 0 HG13 ILE A 72 86.930 -7.539 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.284 -10.938 -10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 72 86.706 -11.757 -10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.043 -10.624 -11.464 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.370 -7.566 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 72 88.977 -8.656 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.306 -9.324 -10.154 1.00 0.00 H new ATOM 1162 N GLY A 73 83.876 -11.543 -10.257 1.00 0.00 N ATOM 1163 CA GLY A 73 83.162 -12.763 -9.891 1.00 0.00 C ATOM 1164 C GLY A 73 82.878 -13.630 -11.116 1.00 0.00 C ATOM 1165 O GLY A 73 83.047 -13.193 -12.252 1.00 0.00 O ATOM 0 H GLY A 73 83.900 -11.344 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 73 83.752 -13.330 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 73 82.223 -12.504 -9.401 1.00 0.00 H new ATOM 1169 N THR A 74 82.447 -14.866 -10.870 1.00 0.00 N ATOM 1170 CA THR A 74 82.142 -15.797 -11.954 1.00 0.00 C ATOM 1171 C THR A 74 80.774 -15.497 -12.560 1.00 0.00 C ATOM 1172 O THR A 74 79.840 -15.128 -11.849 1.00 0.00 O ATOM 1173 CB THR A 74 82.161 -17.234 -11.428 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.410 -17.490 -10.798 1.00 0.00 O ATOM 1175 CG2 THR A 74 81.963 -18.209 -12.589 1.00 0.00 C ATOM 0 H THR A 74 82.302 -15.244 -9.934 1.00 0.00 H new ATOM 0 HA THR A 74 82.901 -15.679 -12.728 1.00 0.00 H new ATOM 0 HB THR A 74 81.355 -17.367 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.423 -18.409 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 74 81.977 -19.232 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.005 -18.013 -13.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 82.766 -18.079 -13.314 1.00 0.00 H new ATOM 1183 N VAL A 75 80.661 -15.662 -13.876 1.00 0.00 N ATOM 1184 CA VAL A 75 79.393 -15.404 -14.551 1.00 0.00 C ATOM 1185 C VAL A 75 79.101 -16.460 -15.616 1.00 0.00 C ATOM 1186 O VAL A 75 79.715 -16.470 -16.688 1.00 0.00 O ATOM 1187 CB VAL A 75 79.425 -14.022 -15.202 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.614 -12.952 -14.124 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.588 -13.958 -16.194 1.00 0.00 C ATOM 0 H VAL A 75 81.418 -15.968 -14.487 1.00 0.00 H new ATOM 0 HA VAL A 75 78.602 -15.445 -13.803 1.00 0.00 H new ATOM 0 HB VAL A 75 78.486 -13.844 -15.726 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.637 -11.967 -14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.787 -13.000 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 75 80.553 -13.127 -13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.614 -12.973 -16.661 1.00 0.00 H new ATOM 0 HG22 VAL A 75 81.526 -14.135 -15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 75 80.454 -14.720 -16.962 1.00 0.00 H new ATOM 1199 N LEU A 76 78.184 -17.369 -15.294 1.00 0.00 N ATOM 1200 CA LEU A 76 77.824 -18.450 -16.206 1.00 0.00 C ATOM 1201 C LEU A 76 77.107 -17.924 -17.447 1.00 0.00 C ATOM 1202 O LEU A 76 76.363 -16.947 -17.386 1.00 0.00 O ATOM 1203 CB LEU A 76 76.914 -19.446 -15.485 1.00 0.00 C ATOM 1204 CG LEU A 76 77.636 -20.015 -14.264 1.00 0.00 C ATOM 1205 CD1 LEU A 76 76.608 -20.456 -13.224 1.00 0.00 C ATOM 1206 CD2 LEU A 76 78.470 -21.225 -14.688 1.00 0.00 C ATOM 0 H LEU A 76 77.677 -17.378 -14.409 1.00 0.00 H new ATOM 0 HA LEU A 76 78.745 -18.939 -16.525 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.992 -18.953 -15.177 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.634 -20.253 -16.162 1.00 0.00 H new ATOM 0 HG LEU A 76 78.285 -19.250 -13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.123 -20.862 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.005 -19.600 -12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 76 75.962 -21.222 -13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 76 78.986 -21.633 -13.819 1.00 0.00 H new ATOM 0 HD22 LEU A 76 77.816 -21.987 -15.113 1.00 0.00 H new ATOM 0 HD23 LEU A 76 79.203 -20.918 -15.435 1.00 0.00 H new ATOM 1218 N VAL A 77 77.339 -18.599 -18.570 1.00 0.00 N ATOM 1219 CA VAL A 77 76.714 -18.215 -19.833 1.00 0.00 C ATOM 1220 C VAL A 77 75.767 -19.310 -20.314 1.00 0.00 C ATOM 1221 O VAL A 77 76.155 -20.473 -20.426 1.00 0.00 O ATOM 1222 CB VAL A 77 77.788 -17.962 -20.892 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.126 -17.526 -22.200 1.00 0.00 C ATOM 1224 CG2 VAL A 77 78.728 -16.856 -20.404 1.00 0.00 C ATOM 0 H VAL A 77 77.953 -19.411 -18.632 1.00 0.00 H new ATOM 0 HA VAL A 77 76.143 -17.301 -19.673 1.00 0.00 H new ATOM 0 HB VAL A 77 78.355 -18.877 -21.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 77.893 -17.346 -22.954 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.454 -18.311 -22.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.559 -16.610 -22.033 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.495 -16.673 -21.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.158 -15.942 -20.236 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.200 -17.165 -19.472 1.00 0.00 H new ATOM 1234 N GLY A 78 74.523 -18.930 -20.594 1.00 0.00 N ATOM 1235 CA GLY A 78 73.527 -19.891 -21.056 1.00 0.00 C ATOM 1236 C GLY A 78 72.637 -19.293 -22.141 1.00 0.00 C ATOM 1237 O GLY A 78 72.720 -18.103 -22.449 1.00 0.00 O ATOM 0 H GLY A 78 74.183 -17.972 -20.510 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.028 -20.779 -21.443 1.00 0.00 H new ATOM 0 HA3 GLY A 78 72.912 -20.212 -20.215 1.00 0.00 H new ATOM 1241 N PRO A 79 71.795 -20.106 -22.721 1.00 0.00 N ATOM 1242 CA PRO A 79 70.859 -19.681 -23.803 1.00 0.00 C ATOM 1243 C PRO A 79 69.705 -18.824 -23.281 1.00 0.00 C ATOM 1244 O PRO A 79 68.624 -18.801 -23.870 1.00 0.00 O ATOM 1245 CB PRO A 79 70.339 -21.002 -24.371 1.00 0.00 C ATOM 1246 CG PRO A 79 70.478 -21.995 -23.265 1.00 0.00 C ATOM 1247 CD PRO A 79 71.649 -21.533 -22.398 1.00 0.00 C ATOM 0 HA PRO A 79 71.357 -19.054 -24.543 1.00 0.00 H new ATOM 0 HB2 PRO A 79 69.300 -20.911 -24.688 1.00 0.00 H new ATOM 0 HB3 PRO A 79 70.914 -21.306 -25.246 1.00 0.00 H new ATOM 0 HG2 PRO A 79 69.561 -22.050 -22.678 1.00 0.00 H new ATOM 0 HG3 PRO A 79 70.662 -22.993 -23.663 1.00 0.00 H new ATOM 0 HD2 PRO A 79 71.443 -21.683 -21.338 1.00 0.00 H new ATOM 0 HD3 PRO A 79 72.558 -22.089 -22.628 1.00 0.00 H new ATOM 1255 N THR A 80 69.937 -18.123 -22.175 1.00 0.00 N ATOM 1256 CA THR A 80 68.902 -17.275 -21.591 1.00 0.00 C ATOM 1257 C THR A 80 68.510 -16.160 -22.563 1.00 0.00 C ATOM 1258 O THR A 80 69.328 -15.709 -23.362 1.00 0.00 O ATOM 1259 CB THR A 80 69.407 -16.658 -20.284 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.679 -15.469 -20.012 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.894 -16.327 -20.413 1.00 0.00 C ATOM 0 H THR A 80 70.823 -18.124 -21.669 1.00 0.00 H new ATOM 0 HA THR A 80 68.026 -17.891 -21.388 1.00 0.00 H new ATOM 0 HB THR A 80 69.265 -17.368 -19.469 1.00 0.00 H new ATOM 0 HG1 THR A 80 69.255 -14.691 -20.164 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.251 -15.888 -19.481 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.453 -17.239 -20.622 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.039 -15.618 -21.228 1.00 0.00 H new ATOM 1269 N PRO A 81 67.282 -15.708 -22.512 1.00 0.00 N ATOM 1270 CA PRO A 81 66.791 -14.625 -23.415 1.00 0.00 C ATOM 1271 C PRO A 81 67.543 -13.309 -23.211 1.00 0.00 C ATOM 1272 O PRO A 81 67.705 -12.528 -24.148 1.00 0.00 O ATOM 1273 CB PRO A 81 65.309 -14.473 -23.049 1.00 0.00 C ATOM 1274 CG PRO A 81 65.158 -15.093 -21.701 1.00 0.00 C ATOM 1275 CD PRO A 81 66.229 -16.174 -21.597 1.00 0.00 C ATOM 0 HA PRO A 81 66.947 -14.877 -24.464 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.016 -13.423 -23.032 1.00 0.00 H new ATOM 0 HB3 PRO A 81 64.672 -14.969 -23.781 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.282 -14.348 -20.915 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.163 -15.521 -21.580 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.600 -16.274 -20.577 1.00 0.00 H new ATOM 0 HD3 PRO A 81 65.844 -17.150 -21.893 1.00 0.00 H new ATOM 1283 N VAL A 82 68.001 -13.068 -21.984 1.00 0.00 N ATOM 1284 CA VAL A 82 68.732 -11.840 -21.678 1.00 0.00 C ATOM 1285 C VAL A 82 69.798 -12.088 -20.619 1.00 0.00 C ATOM 1286 O VAL A 82 70.537 -13.074 -20.674 1.00 0.00 O ATOM 1287 CB VAL A 82 67.764 -10.762 -21.182 1.00 0.00 C ATOM 1288 CG1 VAL A 82 68.419 -9.386 -21.321 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.485 -10.799 -22.019 1.00 0.00 C ATOM 0 H VAL A 82 67.881 -13.700 -21.192 1.00 0.00 H new ATOM 0 HA VAL A 82 69.220 -11.502 -22.592 1.00 0.00 H new ATOM 0 HB VAL A 82 67.521 -10.948 -20.136 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.731 -8.618 -20.968 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.332 -9.356 -20.726 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.662 -9.203 -22.368 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.796 -10.032 -21.665 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.729 -10.613 -23.065 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.016 -11.778 -21.924 1.00 0.00 H new ATOM 1299 N ASN A 83 69.872 -11.177 -19.660 1.00 0.00 N ATOM 1300 CA ASN A 83 70.850 -11.295 -18.582 1.00 0.00 C ATOM 1301 C ASN A 83 70.183 -11.136 -17.219 1.00 0.00 C ATOM 1302 O ASN A 83 69.421 -10.196 -16.992 1.00 0.00 O ATOM 1303 CB ASN A 83 71.955 -10.242 -18.739 1.00 0.00 C ATOM 1304 CG ASN A 83 72.703 -10.463 -20.050 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.622 -11.542 -20.637 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.430 -9.500 -20.547 1.00 0.00 N ATOM 0 H ASN A 83 69.273 -10.353 -19.603 1.00 0.00 H new ATOM 0 HA ASN A 83 71.292 -12.290 -18.642 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.521 -9.242 -18.722 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.648 -10.303 -17.900 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.932 -9.641 -21.423 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.496 -8.607 -20.059 1.00 0.00 H new ATOM 1313 N ILE A 84 70.492 -12.057 -16.310 1.00 0.00 N ATOM 1314 CA ILE A 84 69.937 -12.009 -14.962 1.00 0.00 C ATOM 1315 C ILE A 84 71.054 -12.161 -13.933 1.00 0.00 C ATOM 1316 O ILE A 84 71.995 -12.934 -14.133 1.00 0.00 O ATOM 1317 CB ILE A 84 68.895 -13.114 -14.774 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.303 -13.014 -13.367 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.554 -14.480 -14.952 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.025 -13.849 -13.288 1.00 0.00 C ATOM 0 H ILE A 84 71.121 -12.842 -16.482 1.00 0.00 H new ATOM 0 HA ILE A 84 69.450 -11.044 -14.818 1.00 0.00 H new ATOM 0 HB ILE A 84 68.105 -12.997 -15.515 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.026 -13.367 -12.631 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.085 -11.973 -13.126 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.809 -15.264 -14.817 1.00 0.00 H new ATOM 0 HG22 ILE A 84 69.979 -14.551 -15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.346 -14.601 -14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.605 -13.777 -12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.301 -13.476 -14.013 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.257 -14.891 -13.510 1.00 0.00 H new ATOM 1332 N ILE A 85 70.957 -11.408 -12.841 1.00 0.00 N ATOM 1333 CA ILE A 85 71.980 -11.455 -11.803 1.00 0.00 C ATOM 1334 C ILE A 85 71.505 -12.249 -10.590 1.00 0.00 C ATOM 1335 O ILE A 85 70.374 -12.083 -10.127 1.00 0.00 O ATOM 1336 CB ILE A 85 72.334 -10.033 -11.373 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.734 -9.217 -12.603 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.504 -10.079 -10.395 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.928 -7.754 -12.203 1.00 0.00 C ATOM 0 H ILE A 85 70.188 -10.764 -12.653 1.00 0.00 H new ATOM 0 HA ILE A 85 72.858 -11.953 -12.213 1.00 0.00 H new ATOM 0 HB ILE A 85 71.472 -9.570 -10.892 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.655 -9.613 -13.032 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.965 -9.296 -13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.760 -9.066 -10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 85 73.224 -10.666 -9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.365 -10.539 -10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.213 -7.172 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.997 -7.362 -11.794 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.713 -7.684 -11.450 1.00 0.00 H new ATOM 1351 N GLY A 86 72.384 -13.112 -10.085 1.00 0.00 N ATOM 1352 CA GLY A 86 72.058 -13.936 -8.928 1.00 0.00 C ATOM 1353 C GLY A 86 72.445 -13.250 -7.621 1.00 0.00 C ATOM 1354 O GLY A 86 72.978 -12.141 -7.620 1.00 0.00 O ATOM 0 H GLY A 86 73.322 -13.257 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.989 -14.151 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.576 -14.892 -9.005 1.00 0.00 H new ATOM 1358 N ARG A 87 72.160 -13.921 -6.509 1.00 0.00 N ATOM 1359 CA ARG A 87 72.463 -13.390 -5.183 1.00 0.00 C ATOM 1360 C ARG A 87 73.963 -13.170 -4.982 1.00 0.00 C ATOM 1361 O ARG A 87 74.369 -12.346 -4.162 1.00 0.00 O ATOM 1362 CB ARG A 87 71.948 -14.363 -4.118 1.00 0.00 C ATOM 1363 CG ARG A 87 72.157 -13.765 -2.724 1.00 0.00 C ATOM 1364 CD ARG A 87 71.706 -14.772 -1.663 1.00 0.00 C ATOM 1365 NE ARG A 87 71.793 -14.180 -0.333 1.00 0.00 N ATOM 1366 CZ ARG A 87 71.185 -14.741 0.709 1.00 0.00 C ATOM 1367 NH1 ARG A 87 70.505 -15.842 0.551 1.00 0.00 N ATOM 1368 NH2 ARG A 87 71.272 -14.190 1.889 1.00 0.00 N ATOM 0 H ARG A 87 71.717 -14.840 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 87 71.969 -12.423 -5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.890 -14.568 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.473 -15.315 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.208 -13.513 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.591 -12.839 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.681 -15.086 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.328 -15.665 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 87 72.329 -13.322 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 87 70.439 -16.273 -0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 87 70.039 -16.272 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 87 71.806 -13.330 2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 87 70.806 -14.620 2.688 1.00 0.00 H new ATOM 1382 N ASN A 88 74.783 -13.917 -5.714 1.00 0.00 N ATOM 1383 CA ASN A 88 76.232 -13.793 -5.576 1.00 0.00 C ATOM 1384 C ASN A 88 76.693 -12.347 -5.764 1.00 0.00 C ATOM 1385 O ASN A 88 77.466 -11.826 -4.959 1.00 0.00 O ATOM 1386 CB ASN A 88 76.927 -14.687 -6.607 1.00 0.00 C ATOM 1387 CG ASN A 88 78.437 -14.649 -6.399 1.00 0.00 C ATOM 1388 OD1 ASN A 88 79.151 -13.983 -7.148 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.969 -15.330 -5.423 1.00 0.00 N ATOM 0 H ASN A 88 74.476 -14.606 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 88 76.500 -14.107 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.565 -15.711 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.682 -14.352 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.979 -15.311 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.376 -15.881 -4.803 1.00 0.00 H new ATOM 1396 N LEU A 89 76.221 -11.704 -6.824 1.00 0.00 N ATOM 1397 CA LEU A 89 76.600 -10.320 -7.094 1.00 0.00 C ATOM 1398 C LEU A 89 75.772 -9.343 -6.264 1.00 0.00 C ATOM 1399 O LEU A 89 76.291 -8.346 -5.762 1.00 0.00 O ATOM 1400 CB LEU A 89 76.424 -10.008 -8.579 1.00 0.00 C ATOM 1401 CG LEU A 89 77.650 -10.498 -9.353 1.00 0.00 C ATOM 1402 CD1 LEU A 89 78.863 -9.631 -9.005 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.943 -11.952 -8.977 1.00 0.00 C ATOM 0 H LEU A 89 75.581 -12.112 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 89 77.647 -10.202 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.524 -10.492 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.295 -8.935 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 89 77.450 -10.428 -10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 89 79.733 -9.984 -9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.658 -8.594 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 89 79.062 -9.697 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 89 78.816 -12.301 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 78.139 -12.019 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 89 77.083 -12.573 -9.228 1.00 0.00 H new ATOM 1415 N LEU A 90 74.479 -9.626 -6.137 1.00 0.00 N ATOM 1416 CA LEU A 90 73.587 -8.753 -5.381 1.00 0.00 C ATOM 1417 C LEU A 90 74.129 -8.509 -3.976 1.00 0.00 C ATOM 1418 O LEU A 90 74.004 -7.409 -3.436 1.00 0.00 O ATOM 1419 CB LEU A 90 72.191 -9.383 -5.304 1.00 0.00 C ATOM 1420 CG LEU A 90 71.182 -8.373 -4.746 1.00 0.00 C ATOM 1421 CD1 LEU A 90 69.839 -8.555 -5.457 1.00 0.00 C ATOM 1422 CD2 LEU A 90 70.988 -8.614 -3.246 1.00 0.00 C ATOM 0 H LEU A 90 74.028 -10.446 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 90 73.523 -7.793 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.877 -9.711 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.219 -10.269 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 90 71.556 -7.362 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.119 -7.838 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.968 -8.389 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.473 -9.568 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.270 -7.895 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.614 -9.625 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 90 71.942 -8.494 -2.732 1.00 0.00 H new ATOM 1434 N THR A 91 74.728 -9.538 -3.384 1.00 0.00 N ATOM 1435 CA THR A 91 75.279 -9.412 -2.039 1.00 0.00 C ATOM 1436 C THR A 91 76.026 -8.091 -1.890 1.00 0.00 C ATOM 1437 O THR A 91 75.903 -7.409 -0.871 1.00 0.00 O ATOM 1438 CB THR A 91 76.235 -10.574 -1.750 1.00 0.00 C ATOM 1439 OG1 THR A 91 76.421 -10.693 -0.346 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.584 -10.314 -2.424 1.00 0.00 C ATOM 0 H THR A 91 74.844 -10.458 -3.808 1.00 0.00 H new ATOM 0 HA THR A 91 74.454 -9.436 -1.327 1.00 0.00 H new ATOM 0 HB THR A 91 75.810 -11.498 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 91 77.031 -11.437 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 91 78.261 -11.143 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 91 77.441 -10.224 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 91 78.012 -9.390 -2.036 1.00 0.00 H new ATOM 1448 N GLN A 92 76.798 -7.736 -2.911 1.00 0.00 N ATOM 1449 CA GLN A 92 77.559 -6.493 -2.885 1.00 0.00 C ATOM 1450 C GLN A 92 76.611 -5.297 -2.835 1.00 0.00 C ATOM 1451 O GLN A 92 75.400 -5.465 -2.695 1.00 0.00 O ATOM 1452 CB GLN A 92 78.446 -6.401 -4.131 1.00 0.00 C ATOM 1453 CG GLN A 92 79.803 -5.796 -3.759 1.00 0.00 C ATOM 1454 CD GLN A 92 80.638 -5.579 -5.016 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.726 -5.005 -4.948 1.00 0.00 O ATOM 1456 NE2 GLN A 92 80.193 -6.004 -6.166 1.00 0.00 N ATOM 0 H GLN A 92 76.913 -8.287 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 92 78.188 -6.482 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.586 -7.392 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 92 77.960 -5.788 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 92 79.658 -4.848 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.330 -6.458 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 79.292 -6.479 -6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 92 80.746 -5.861 -7.011 1.00 0.00 H new