USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -156:sc= 0.296 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.382 X(o=0.68,f=0.28) USER MOD Set 2.1: A 78 MET CE :methyl -163:sc= -0.0056 (180deg=-0.324) USER MOD Set 2.2: A 110 THR OG1 : rot 42:sc= 0.0191 USER MOD Set 3.1: A 44 ASN : amide:sc= -3.82! C(o=-4.4!,f=-8.3!) USER MOD Set 3.2: A 56 TYR OH : rot -15:sc= -0.61 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.793 F(o=-3.4!,f=-0.79) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.303 F(o=-1.7!,f=-0.3) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.74) USER MOD Single : A 23 GLN : amide:sc= -4.81! C(o=-4.8!,f=-5.5!) USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=-0.2) USER MOD Single : A 32 SER OG : rot -160:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.71! C(o=-4.3!,f=-2.7!) USER MOD Single : A 42 SER OG : rot 95:sc= 1.19 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.97! C(o=-3.1!,f=-2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 61 SER OG : rot 32:sc= -0.829! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0692 F(o=-1.4,f=-0.069) USER MOD Single : A 76 LYS NZ :NH3+ 145:sc= 1.22 (180deg=-0.109!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.818 F(o=-3.2!,f=-0.82) USER MOD Single : A 81 ASN :FLIP amide:sc= -2.58 F(o=-4.7!,f=-2.6) USER MOD Single : A 85 MET CE :methyl -159:sc= -2.27 (180deg=-4.33!) USER MOD Single : A 86 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 87 MET CE :methyl -164:sc= 0 (180deg=-0.518) USER MOD Single : A 90 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 0.731 (180deg=0.466) USER MOD Single : A 98 THR OG1 : rot -44:sc= 0.494 USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.1) USER MOD Single : A 101 SER OG : rot -76:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.580 -10.225 -4.204 1.00 0.00 N ATOM 154 CA VAL A 12 -7.610 -9.756 -5.565 1.00 0.00 C ATOM 155 C VAL A 12 -6.383 -8.927 -5.820 1.00 0.00 C ATOM 156 O VAL A 12 -6.253 -7.819 -5.306 1.00 0.00 O ATOM 157 CB VAL A 12 -8.886 -8.924 -5.901 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.892 -8.486 -7.363 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.141 -9.707 -5.583 1.00 0.00 C ATOM 0 HA VAL A 12 -7.632 -10.633 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.868 -8.030 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.794 -7.908 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.014 -7.871 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.872 -9.366 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.017 -9.105 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.156 -10.624 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.155 -9.956 -4.522 1.00 0.00 H new ATOM 169 N VAL A 13 -5.457 -9.490 -6.528 1.00 0.00 N ATOM 170 CA VAL A 13 -4.271 -8.782 -6.901 1.00 0.00 C ATOM 171 C VAL A 13 -4.622 -7.982 -8.145 1.00 0.00 C ATOM 172 O VAL A 13 -4.966 -8.561 -9.174 1.00 0.00 O ATOM 173 CB VAL A 13 -3.108 -9.742 -7.239 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.805 -8.983 -7.406 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.963 -10.858 -6.213 1.00 0.00 C ATOM 0 H VAL A 13 -5.500 -10.452 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.943 -8.153 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.353 -10.215 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.004 -9.683 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.906 -8.260 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.567 -8.460 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.133 -11.506 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.770 -10.426 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.883 -11.442 -6.178 1.00 0.00 H new ATOM 185 N GLN A 14 -4.589 -6.690 -8.033 1.00 0.00 N ATOM 186 CA GLN A 14 -4.955 -5.807 -9.122 1.00 0.00 C ATOM 187 C GLN A 14 -3.843 -4.789 -9.339 1.00 0.00 C ATOM 188 O GLN A 14 -3.108 -4.458 -8.385 1.00 0.00 O ATOM 189 CB GLN A 14 -6.326 -5.152 -8.815 1.00 0.00 C ATOM 190 CG GLN A 14 -6.379 -4.317 -7.533 1.00 0.00 C ATOM 191 CD GLN A 14 -6.253 -2.830 -7.790 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.057 -2.341 -7.846 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.243 -2.131 -7.973 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.307 -6.205 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.068 -6.362 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.602 -4.515 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.079 -5.937 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.319 -4.513 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.577 -4.634 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.175 -2.543 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.135 -1.137 -8.175 1.00 0.00 H new ATOM 202 N ARG A 15 -3.712 -4.275 -10.544 1.00 0.00 N ATOM 203 CA ARG A 15 -2.610 -3.391 -10.844 1.00 0.00 C ATOM 204 C ARG A 15 -2.987 -1.928 -10.676 1.00 0.00 C ATOM 205 O ARG A 15 -4.131 -1.536 -10.919 1.00 0.00 O ATOM 206 CB ARG A 15 -1.981 -3.698 -12.240 1.00 0.00 C ATOM 207 CG ARG A 15 -2.805 -3.388 -13.509 1.00 0.00 C ATOM 208 CD ARG A 15 -2.710 -1.910 -13.931 1.00 0.00 C ATOM 209 NE ARG A 15 -3.147 -1.692 -15.327 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.985 -0.543 -16.032 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.622 0.585 -15.417 1.00 0.00 N ATOM 212 NH2 ARG A 15 -3.250 -0.529 -17.334 1.00 0.00 N ATOM 0 H ARG A 15 -4.347 -4.452 -11.322 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.831 -3.588 -10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.045 -3.144 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.726 -4.758 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.456 -4.019 -14.327 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.849 -3.645 -13.331 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.322 -1.304 -13.263 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.681 -1.568 -13.818 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.608 -2.469 -15.799 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.464 0.588 -14.409 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.503 1.443 -15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.573 -1.378 -17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.130 0.331 -17.870 1.00 0.00 H new ATOM 226 N VAL A 16 -2.042 -1.143 -10.232 1.00 0.00 N ATOM 227 CA VAL A 16 -2.216 0.278 -10.063 1.00 0.00 C ATOM 228 C VAL A 16 -1.153 0.954 -10.925 1.00 0.00 C ATOM 229 O VAL A 16 -0.117 0.344 -11.227 1.00 0.00 O ATOM 230 CB VAL A 16 -1.991 0.753 -8.594 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.662 2.073 -8.344 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.396 -0.274 -7.556 1.00 0.00 C ATOM 0 H VAL A 16 -1.114 -1.477 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.239 0.532 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.915 0.882 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.489 2.380 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.252 2.824 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.734 1.975 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.212 0.125 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.456 -0.503 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.812 -1.183 -7.697 1.00 0.00 H new ATOM 242 N GLU A 17 -1.387 2.171 -11.298 1.00 0.00 N ATOM 243 CA GLU A 17 -0.486 2.908 -12.124 1.00 0.00 C ATOM 244 C GLU A 17 -0.470 4.368 -11.715 1.00 0.00 C ATOM 245 O GLU A 17 -1.404 5.129 -11.975 1.00 0.00 O ATOM 246 CB GLU A 17 -0.861 2.723 -13.586 1.00 0.00 C ATOM 247 CG GLU A 17 -0.047 3.524 -14.567 1.00 0.00 C ATOM 248 CD GLU A 17 -0.346 3.128 -15.990 1.00 0.00 C ATOM 249 OE1 GLU A 17 -1.546 3.075 -16.379 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.589 2.811 -16.734 1.00 0.00 O ATOM 0 H GLU A 17 -2.224 2.690 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 17 0.527 2.528 -11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.765 1.667 -13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.911 2.987 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.256 4.585 -14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.014 3.379 -14.364 1.00 0.00 H new ATOM 257 N ILE A 18 0.568 4.739 -11.057 1.00 0.00 N ATOM 258 CA ILE A 18 0.709 6.092 -10.590 1.00 0.00 C ATOM 259 C ILE A 18 1.591 6.867 -11.528 1.00 0.00 C ATOM 260 O ILE A 18 2.656 6.401 -11.910 1.00 0.00 O ATOM 261 CB ILE A 18 1.244 6.217 -9.102 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.139 6.009 -8.048 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.939 7.547 -8.848 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.302 4.597 -7.819 1.00 0.00 C ATOM 0 H ILE A 18 1.347 4.125 -10.822 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.296 6.513 -10.577 1.00 0.00 H new ATOM 0 HB ILE A 18 1.972 5.413 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.490 6.416 -7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.731 6.595 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.287 7.584 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.790 7.647 -9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.238 8.363 -9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.081 4.578 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.693 4.183 -8.748 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.547 4.000 -7.485 1.00 0.00 H new ATOM 276 N HIS A 19 1.106 8.004 -11.933 1.00 0.00 N ATOM 277 CA HIS A 19 1.858 8.940 -12.718 1.00 0.00 C ATOM 278 C HIS A 19 2.361 10.018 -11.779 1.00 0.00 C ATOM 279 O HIS A 19 1.658 10.361 -10.826 1.00 0.00 O ATOM 280 CB HIS A 19 0.975 9.580 -13.796 1.00 0.00 C ATOM 281 CG HIS A 19 0.512 8.666 -14.900 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.668 7.326 -15.078 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.204 9.102 -15.983 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.044 6.950 -16.265 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.462 8.060 -16.764 1.00 0.00 N flip ATOM 0 H HIS A 19 0.157 8.313 -11.723 1.00 0.00 H new ATOM 0 HA HIS A 19 2.682 8.429 -13.216 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.096 10.006 -13.312 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.525 10.408 -14.244 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.507 10.121 -16.170 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.013 5.958 -16.688 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.985 8.112 -17.638 1.00 0.00 H new ATOM 293 N LYS A 20 3.558 10.525 -12.036 1.00 0.00 N ATOM 294 CA LYS A 20 4.196 11.583 -11.195 1.00 0.00 C ATOM 295 C LYS A 20 3.242 12.690 -10.705 1.00 0.00 C ATOM 296 O LYS A 20 2.506 13.298 -11.490 1.00 0.00 O ATOM 297 CB LYS A 20 5.366 12.243 -11.924 1.00 0.00 C ATOM 298 CG LYS A 20 5.047 12.782 -13.314 1.00 0.00 C ATOM 299 CD LYS A 20 6.262 13.453 -13.935 1.00 0.00 C ATOM 300 CE LYS A 20 5.973 13.962 -15.344 1.00 0.00 C ATOM 301 NZ LYS A 20 5.547 12.877 -16.252 1.00 0.00 N ATOM 0 H LYS A 20 4.131 10.230 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 20 4.539 11.042 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.738 13.064 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.175 11.517 -12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.711 11.967 -13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.226 13.496 -13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.578 14.285 -13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.090 12.745 -13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.195 14.724 -15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.866 14.441 -15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.840 13.102 -17.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.988 11.983 -15.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.512 12.781 -16.216 1.00 0.00 H new ATOM 315 N LEU A 21 3.247 12.914 -9.415 1.00 0.00 N ATOM 316 CA LEU A 21 2.497 13.987 -8.807 1.00 0.00 C ATOM 317 C LEU A 21 3.425 14.862 -7.984 1.00 0.00 C ATOM 318 O LEU A 21 4.154 14.371 -7.126 1.00 0.00 O ATOM 319 CB LEU A 21 1.405 13.436 -7.888 1.00 0.00 C ATOM 320 CG LEU A 21 0.644 14.486 -7.065 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.191 15.397 -7.957 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.215 13.836 -5.998 1.00 0.00 C ATOM 0 H LEU A 21 3.777 12.351 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 21 2.036 14.570 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.687 12.885 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.858 12.720 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 21 1.388 15.105 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.716 16.128 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.461 15.916 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.917 14.800 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.740 14.607 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.941 13.173 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.418 13.260 -5.323 1.00 0.00 H new ATOM 334 N ARG A 22 3.420 16.128 -8.240 1.00 0.00 N ATOM 335 CA ARG A 22 4.199 17.030 -7.442 1.00 0.00 C ATOM 336 C ARG A 22 3.381 17.562 -6.311 1.00 0.00 C ATOM 337 O ARG A 22 2.374 18.230 -6.520 1.00 0.00 O ATOM 338 CB ARG A 22 4.800 18.155 -8.264 1.00 0.00 C ATOM 339 CG ARG A 22 5.927 17.687 -9.138 1.00 0.00 C ATOM 340 CD ARG A 22 6.505 18.802 -9.958 1.00 0.00 C ATOM 341 NE ARG A 22 7.682 18.349 -10.713 1.00 0.00 N ATOM 342 CZ ARG A 22 7.777 18.332 -12.053 1.00 0.00 C ATOM 343 NH1 ARG A 22 6.705 18.583 -12.802 1.00 0.00 N ATOM 344 NH2 ARG A 22 8.925 18.001 -12.633 1.00 0.00 N ATOM 0 H ARG A 22 2.888 16.566 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 22 5.036 16.465 -7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.024 18.602 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.163 18.936 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.710 17.251 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.569 16.899 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.750 19.179 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.784 19.630 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 22 8.488 18.023 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.810 18.789 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.779 18.570 -13.819 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.734 17.760 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.997 17.988 -13.650 1.00 0.00 H new ATOM 358 N GLN A 23 3.786 17.243 -5.116 1.00 0.00 N ATOM 359 CA GLN A 23 3.110 17.699 -3.962 1.00 0.00 C ATOM 360 C GLN A 23 4.022 18.664 -3.303 1.00 0.00 C ATOM 361 O GLN A 23 5.002 18.253 -2.699 1.00 0.00 O ATOM 362 CB GLN A 23 2.823 16.556 -3.009 1.00 0.00 C ATOM 363 CG GLN A 23 1.952 15.446 -3.565 1.00 0.00 C ATOM 364 CD GLN A 23 1.525 14.451 -2.494 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.360 13.269 -2.759 1.00 0.00 O ATOM 366 NE2 GLN A 23 1.316 14.920 -1.290 1.00 0.00 N ATOM 0 H GLN A 23 4.599 16.657 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 23 2.155 18.149 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.772 16.125 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.342 16.960 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.066 15.880 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.496 14.920 -4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.461 15.911 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.008 14.295 -0.545 1.00 0.00 H new ATOM 375 N GLY A 24 3.768 19.923 -3.484 1.00 0.00 N ATOM 376 CA GLY A 24 4.622 20.930 -2.929 1.00 0.00 C ATOM 377 C GLY A 24 5.956 20.930 -3.614 1.00 0.00 C ATOM 378 O GLY A 24 6.029 21.084 -4.834 1.00 0.00 O ATOM 0 H GLY A 24 2.973 20.280 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.154 21.909 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.756 20.753 -1.862 1.00 0.00 H new ATOM 382 N GLU A 25 6.985 20.651 -2.864 1.00 0.00 N ATOM 383 CA GLU A 25 8.343 20.678 -3.367 1.00 0.00 C ATOM 384 C GLU A 25 8.828 19.267 -3.676 1.00 0.00 C ATOM 385 O GLU A 25 10.018 19.049 -3.966 1.00 0.00 O ATOM 386 CB GLU A 25 9.254 21.283 -2.308 1.00 0.00 C ATOM 387 CG GLU A 25 8.831 22.652 -1.828 1.00 0.00 C ATOM 388 CD GLU A 25 9.749 23.182 -0.773 1.00 0.00 C ATOM 389 OE1 GLU A 25 9.642 22.748 0.411 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.604 24.037 -1.093 1.00 0.00 O ATOM 0 H GLU A 25 6.912 20.396 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 25 8.366 21.273 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.295 20.608 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.265 21.349 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.811 23.342 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.816 22.601 -1.434 1.00 0.00 H new ATOM 397 N ASN A 26 7.922 18.318 -3.628 1.00 0.00 N ATOM 398 CA ASN A 26 8.297 16.926 -3.769 1.00 0.00 C ATOM 399 C ASN A 26 7.587 16.329 -4.937 1.00 0.00 C ATOM 400 O ASN A 26 6.605 16.878 -5.432 1.00 0.00 O ATOM 401 CB ASN A 26 7.879 16.093 -2.549 1.00 0.00 C ATOM 402 CG ASN A 26 7.912 16.836 -1.256 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.913 16.892 -0.546 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.811 17.401 -0.944 1.00 0.00 N ATOM 0 H ASN A 26 6.924 18.481 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 26 9.381 16.906 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.870 15.714 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.536 15.227 -2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.736 17.927 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.006 17.327 -1.566 1.00 0.00 H new ATOM 411 N LEU A 27 8.039 15.190 -5.311 1.00 0.00 N ATOM 412 CA LEU A 27 7.444 14.399 -6.348 1.00 0.00 C ATOM 413 C LEU A 27 7.026 13.146 -5.632 1.00 0.00 C ATOM 414 O LEU A 27 7.878 12.384 -5.181 1.00 0.00 O ATOM 415 CB LEU A 27 8.512 14.080 -7.428 1.00 0.00 C ATOM 416 CG LEU A 27 8.075 13.508 -8.804 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.373 12.159 -8.699 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.229 14.510 -9.556 1.00 0.00 C ATOM 0 H LEU A 27 8.864 14.758 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 27 6.614 14.890 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.065 15.000 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.215 13.371 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 27 8.989 13.327 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.094 11.816 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.045 11.434 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.477 12.262 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.934 14.089 -10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.338 14.744 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.804 15.421 -9.721 1.00 0.00 H new ATOM 430 N ILE A 28 5.756 12.969 -5.431 1.00 0.00 N ATOM 431 CA ILE A 28 5.307 11.841 -4.683 1.00 0.00 C ATOM 432 C ILE A 28 4.297 11.089 -5.509 1.00 0.00 C ATOM 433 O ILE A 28 3.745 11.616 -6.472 1.00 0.00 O ATOM 434 CB ILE A 28 4.643 12.257 -3.328 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.257 13.564 -2.807 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.802 11.145 -2.287 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.820 13.974 -1.420 1.00 0.00 C ATOM 0 H ILE A 28 5.020 13.587 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 28 6.174 11.222 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 28 3.579 12.418 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.342 13.464 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.006 14.366 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.334 11.453 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.324 10.235 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.862 10.954 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.310 14.908 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.739 14.113 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.096 13.197 -0.707 1.00 0.00 H new ATOM 449 N LEU A 29 4.049 9.883 -5.125 1.00 0.00 N ATOM 450 CA LEU A 29 3.093 9.040 -5.786 1.00 0.00 C ATOM 451 C LEU A 29 1.693 9.265 -5.216 1.00 0.00 C ATOM 452 O LEU A 29 0.742 8.550 -5.535 1.00 0.00 O ATOM 453 CB LEU A 29 3.514 7.571 -5.660 1.00 0.00 C ATOM 454 CG LEU A 29 4.679 7.080 -6.561 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.995 7.810 -6.296 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.863 5.595 -6.387 1.00 0.00 C ATOM 0 H LEU A 29 4.510 9.441 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 29 3.065 9.299 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.792 7.388 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.642 6.952 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 29 4.403 7.307 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.768 7.419 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.863 8.876 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.294 7.656 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.681 5.253 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.096 5.377 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.945 5.079 -6.670 1.00 0.00 H new ATOM 468 N GLY A 30 1.576 10.257 -4.362 1.00 0.00 N ATOM 469 CA GLY A 30 0.301 10.613 -3.800 1.00 0.00 C ATOM 470 C GLY A 30 -0.015 9.892 -2.506 1.00 0.00 C ATOM 471 O GLY A 30 -0.549 10.492 -1.559 1.00 0.00 O ATOM 0 H GLY A 30 2.356 10.832 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.280 11.688 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.481 10.395 -4.528 1.00 0.00 H new ATOM 475 N PHE A 31 0.302 8.629 -2.455 1.00 0.00 N ATOM 476 CA PHE A 31 -0.027 7.805 -1.320 1.00 0.00 C ATOM 477 C PHE A 31 1.148 7.642 -0.319 1.00 0.00 C ATOM 478 O PHE A 31 2.251 8.140 -0.548 1.00 0.00 O ATOM 479 CB PHE A 31 -0.554 6.448 -1.810 1.00 0.00 C ATOM 480 CG PHE A 31 0.440 5.548 -2.464 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.763 5.699 -3.787 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.022 4.526 -1.750 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.656 4.851 -4.391 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.913 3.673 -2.339 1.00 0.00 C ATOM 485 CZ PHE A 31 2.237 3.831 -3.667 1.00 0.00 C ATOM 0 H PHE A 31 0.797 8.138 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.810 8.313 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.984 5.921 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.365 6.631 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.310 6.494 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.771 4.396 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.904 4.982 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.362 2.877 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.941 3.161 -4.139 1.00 0.00 H new ATOM 495 N SER A 32 0.872 6.967 0.789 1.00 0.00 N ATOM 496 CA SER A 32 1.827 6.692 1.840 1.00 0.00 C ATOM 497 C SER A 32 1.606 5.266 2.367 1.00 0.00 C ATOM 498 O SER A 32 0.583 4.666 2.069 1.00 0.00 O ATOM 499 CB SER A 32 1.638 7.690 2.954 1.00 0.00 C ATOM 500 OG SER A 32 1.906 9.017 2.506 1.00 0.00 O ATOM 0 H SER A 32 -0.054 6.586 0.982 1.00 0.00 H new ATOM 0 HA SER A 32 2.842 6.775 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.617 7.630 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.300 7.443 3.784 1.00 0.00 H new ATOM 0 HG SER A 32 2.090 9.592 3.278 1.00 0.00 H new ATOM 506 N ILE A 33 2.532 4.749 3.181 1.00 0.00 N ATOM 507 CA ILE A 33 2.480 3.353 3.623 1.00 0.00 C ATOM 508 C ILE A 33 2.527 3.253 5.126 1.00 0.00 C ATOM 509 O ILE A 33 2.905 4.210 5.811 1.00 0.00 O ATOM 510 CB ILE A 33 3.657 2.519 3.057 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.980 2.796 3.815 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.810 2.835 1.605 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.183 2.011 3.324 1.00 0.00 C ATOM 0 H ILE A 33 3.325 5.276 3.546 1.00 0.00 H new ATOM 0 HA ILE A 33 1.538 2.956 3.246 1.00 0.00 H new ATOM 0 HB ILE A 33 3.433 1.461 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.206 3.860 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.828 2.574 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.635 2.255 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.890 2.582 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.017 3.898 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.058 2.276 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.986 0.944 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.370 2.249 2.277 1.00 0.00 H new ATOM 525 N GLY A 34 2.222 2.080 5.631 1.00 0.00 N ATOM 526 CA GLY A 34 2.226 1.877 7.043 1.00 0.00 C ATOM 527 C GLY A 34 3.388 1.051 7.446 1.00 0.00 C ATOM 528 O GLY A 34 3.924 1.198 8.534 1.00 0.00 O ATOM 0 H GLY A 34 1.970 1.260 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.262 2.839 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.301 1.388 7.348 1.00 0.00 H new ATOM 532 N GLY A 35 3.830 0.211 6.552 1.00 0.00 N ATOM 533 CA GLY A 35 4.941 -0.615 6.859 1.00 0.00 C ATOM 534 C GLY A 35 4.657 -2.047 6.604 1.00 0.00 C ATOM 535 O GLY A 35 3.531 -2.402 6.409 1.00 0.00 O ATOM 0 H GLY A 35 3.437 0.088 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.799 -0.304 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.214 -0.481 7.906 1.00 0.00 H new ATOM 539 N GLY A 36 5.699 -2.847 6.580 1.00 0.00 N ATOM 540 CA GLY A 36 5.567 -4.240 6.319 1.00 0.00 C ATOM 541 C GLY A 36 5.925 -5.069 7.501 1.00 0.00 C ATOM 542 O GLY A 36 5.308 -4.955 8.540 1.00 0.00 O ATOM 0 H GLY A 36 6.657 -2.538 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.541 -4.457 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.206 -4.513 5.479 1.00 0.00 H new ATOM 546 N ILE A 37 6.970 -5.861 7.365 1.00 0.00 N ATOM 547 CA ILE A 37 7.375 -6.792 8.434 1.00 0.00 C ATOM 548 C ILE A 37 7.938 -6.075 9.630 1.00 0.00 C ATOM 549 O ILE A 37 7.920 -6.589 10.739 1.00 0.00 O ATOM 550 CB ILE A 37 8.393 -7.880 7.981 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.821 -7.303 7.721 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.873 -8.618 6.768 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.932 -6.302 6.615 1.00 0.00 C ATOM 0 H ILE A 37 7.561 -5.889 6.534 1.00 0.00 H new ATOM 0 HA ILE A 37 6.448 -7.296 8.706 1.00 0.00 H new ATOM 0 HB ILE A 37 8.494 -8.586 8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.177 -6.839 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.492 -8.133 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.597 -9.375 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.926 -9.099 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.721 -7.913 5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.967 -5.971 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.615 -6.759 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.295 -5.445 6.834 1.00 0.00 H new ATOM 565 N ASP A 38 8.425 -4.887 9.381 1.00 0.00 N ATOM 566 CA ASP A 38 9.029 -4.042 10.394 1.00 0.00 C ATOM 567 C ASP A 38 7.980 -3.565 11.400 1.00 0.00 C ATOM 568 O ASP A 38 8.295 -3.118 12.498 1.00 0.00 O ATOM 569 CB ASP A 38 9.713 -2.876 9.683 1.00 0.00 C ATOM 570 CG ASP A 38 10.314 -1.837 10.587 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.163 -2.173 11.430 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.986 -0.649 10.412 1.00 0.00 O ATOM 0 H ASP A 38 8.416 -4.466 8.452 1.00 0.00 H new ATOM 0 HA ASP A 38 9.770 -4.600 10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.499 -3.274 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.985 -2.391 9.033 1.00 0.00 H new ATOM 577 N GLN A 39 6.739 -3.708 11.019 1.00 0.00 N ATOM 578 CA GLN A 39 5.620 -3.297 11.851 1.00 0.00 C ATOM 579 C GLN A 39 4.934 -4.584 12.356 1.00 0.00 C ATOM 580 O GLN A 39 4.944 -5.605 11.650 1.00 0.00 O ATOM 581 CB GLN A 39 4.624 -2.485 11.013 1.00 0.00 C ATOM 582 CG GLN A 39 5.230 -1.795 9.849 1.00 0.00 C ATOM 583 CD GLN A 39 6.283 -0.786 10.211 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.313 -0.781 9.426 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.218 -0.108 11.219 1.00 0.00 N flip ATOM 0 H GLN A 39 6.466 -4.112 10.123 1.00 0.00 H new ATOM 0 HA GLN A 39 5.960 -2.680 12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.838 -3.151 10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.148 -1.743 11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.670 -2.541 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.442 -1.295 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.385 -0.146 11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.997 0.498 11.477 1.00 0.00 H new ATOM 594 N ASP A 40 4.330 -4.545 13.523 1.00 0.00 N ATOM 595 CA ASP A 40 3.711 -5.756 14.118 1.00 0.00 C ATOM 596 C ASP A 40 2.260 -5.812 13.736 1.00 0.00 C ATOM 597 O ASP A 40 1.515 -4.901 14.086 1.00 0.00 O ATOM 598 CB ASP A 40 3.751 -5.714 15.627 1.00 0.00 C ATOM 599 CG ASP A 40 3.507 -7.064 16.262 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.367 -7.550 16.256 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.461 -7.653 16.808 1.00 0.00 O ATOM 0 H ASP A 40 4.243 -3.703 14.092 1.00 0.00 H new ATOM 0 HA ASP A 40 4.269 -6.617 13.751 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.722 -5.337 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.001 -5.009 15.985 1.00 0.00 H new ATOM 606 N PRO A 41 1.804 -6.898 13.085 1.00 0.00 N ATOM 607 CA PRO A 41 0.428 -7.001 12.579 1.00 0.00 C ATOM 608 C PRO A 41 -0.632 -6.832 13.665 1.00 0.00 C ATOM 609 O PRO A 41 -1.725 -6.353 13.397 1.00 0.00 O ATOM 610 CB PRO A 41 0.362 -8.398 11.963 1.00 0.00 C ATOM 611 CG PRO A 41 1.506 -9.140 12.563 1.00 0.00 C ATOM 612 CD PRO A 41 2.571 -8.122 12.817 1.00 0.00 C ATOM 0 HA PRO A 41 0.212 -6.203 11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.586 -8.885 12.190 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.446 -8.355 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.209 -9.633 13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.863 -9.918 11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.199 -8.398 13.664 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.230 -8.005 11.957 1.00 0.00 H new ATOM 620 N SER A 42 -0.266 -7.124 14.898 1.00 0.00 N ATOM 621 CA SER A 42 -1.199 -7.049 16.007 1.00 0.00 C ATOM 622 C SER A 42 -1.536 -5.570 16.321 1.00 0.00 C ATOM 623 O SER A 42 -2.623 -5.249 16.806 1.00 0.00 O ATOM 624 CB SER A 42 -0.561 -7.715 17.223 1.00 0.00 C ATOM 625 OG SER A 42 0.120 -8.915 16.832 1.00 0.00 O ATOM 0 H SER A 42 0.676 -7.417 15.158 1.00 0.00 H new ATOM 0 HA SER A 42 -2.126 -7.562 15.749 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.141 -7.028 17.696 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.327 -7.948 17.963 1.00 0.00 H new ATOM 0 HG SER A 42 1.067 -8.717 16.674 1.00 0.00 H new ATOM 631 N GLN A 43 -0.612 -4.677 15.967 1.00 0.00 N ATOM 632 CA GLN A 43 -0.750 -3.258 16.264 1.00 0.00 C ATOM 633 C GLN A 43 -0.722 -2.431 14.995 1.00 0.00 C ATOM 634 O GLN A 43 -0.604 -1.197 15.037 1.00 0.00 O ATOM 635 CB GLN A 43 0.346 -2.814 17.236 1.00 0.00 C ATOM 636 CG GLN A 43 1.753 -3.044 16.779 1.00 0.00 C ATOM 637 CD GLN A 43 2.623 -3.600 17.890 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.075 -4.480 18.676 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.816 -3.307 17.976 1.00 0.00 N flip ATOM 0 H GLN A 43 0.246 -4.918 15.470 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.718 -3.096 16.739 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.218 -1.750 17.437 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.201 -3.337 18.181 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.753 -3.736 15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.177 -2.106 16.421 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.217 -2.613 17.345 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.403 -3.758 18.678 1.00 0.00 H new ATOM 648 N ASN A 44 -0.835 -3.106 13.881 1.00 0.00 N ATOM 649 CA ASN A 44 -0.860 -2.447 12.584 1.00 0.00 C ATOM 650 C ASN A 44 -2.256 -2.074 12.200 1.00 0.00 C ATOM 651 O ASN A 44 -3.184 -2.781 12.534 1.00 0.00 O ATOM 652 CB ASN A 44 -0.263 -3.304 11.497 1.00 0.00 C ATOM 653 CG ASN A 44 1.225 -3.393 11.571 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.874 -2.505 12.111 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.790 -4.424 10.960 1.00 0.00 N ATOM 0 H ASN A 44 -0.912 -4.122 13.838 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.253 -1.547 12.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.684 -4.307 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.549 -2.900 10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.806 -4.502 10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.209 -5.140 10.524 1.00 0.00 H new ATOM 662 N PRO A 45 -2.430 -0.966 11.475 1.00 0.00 N ATOM 663 CA PRO A 45 -3.755 -0.476 11.099 1.00 0.00 C ATOM 664 C PRO A 45 -4.446 -1.326 10.024 1.00 0.00 C ATOM 665 O PRO A 45 -5.602 -1.685 10.161 1.00 0.00 O ATOM 666 CB PRO A 45 -3.471 0.932 10.578 1.00 0.00 C ATOM 667 CG PRO A 45 -2.058 0.903 10.104 1.00 0.00 C ATOM 668 CD PRO A 45 -1.344 -0.072 10.986 1.00 0.00 C ATOM 0 HA PRO A 45 -4.445 -0.511 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.151 1.196 9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.607 1.676 11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.004 0.596 9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.605 1.892 10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.585 -0.628 10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.837 0.430 11.810 1.00 0.00 H new ATOM 676 N PHE A 46 -3.728 -1.639 8.965 1.00 0.00 N ATOM 677 CA PHE A 46 -4.301 -2.384 7.852 1.00 0.00 C ATOM 678 C PHE A 46 -3.658 -3.749 7.746 1.00 0.00 C ATOM 679 O PHE A 46 -3.661 -4.394 6.686 1.00 0.00 O ATOM 680 CB PHE A 46 -4.125 -1.592 6.557 1.00 0.00 C ATOM 681 CG PHE A 46 -4.724 -0.220 6.636 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.081 -0.024 6.445 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.929 0.870 6.915 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.627 1.240 6.531 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.466 2.128 7.004 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.813 2.319 6.813 1.00 0.00 C ATOM 0 H PHE A 46 -2.746 -1.391 8.847 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.367 -2.529 8.027 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.063 -1.508 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.586 -2.139 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.718 -0.868 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.869 0.731 7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.686 1.385 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.828 2.971 7.225 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.234 3.311 6.883 1.00 0.00 H new ATOM 696 N SER A 47 -3.138 -4.202 8.849 1.00 0.00 N ATOM 697 CA SER A 47 -2.514 -5.493 8.900 1.00 0.00 C ATOM 698 C SER A 47 -2.973 -6.222 10.145 1.00 0.00 C ATOM 699 O SER A 47 -2.388 -7.209 10.524 1.00 0.00 O ATOM 700 CB SER A 47 -1.007 -5.331 8.943 1.00 0.00 C ATOM 701 OG SER A 47 -0.345 -6.219 8.049 1.00 0.00 O ATOM 0 H SER A 47 -3.134 -3.692 9.733 1.00 0.00 H new ATOM 0 HA SER A 47 -2.792 -6.064 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.746 -4.303 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.653 -5.510 9.958 1.00 0.00 H new ATOM 0 HG SER A 47 0.623 -6.080 8.107 1.00 0.00 H new ATOM 782 N LYS A 53 2.114 -9.807 7.417 1.00 0.00 N ATOM 783 CA LYS A 53 2.810 -8.533 7.248 1.00 0.00 C ATOM 784 C LYS A 53 2.894 -8.149 5.771 1.00 0.00 C ATOM 785 O LYS A 53 2.397 -8.864 4.908 1.00 0.00 O ATOM 786 CB LYS A 53 4.216 -8.617 7.860 1.00 0.00 C ATOM 787 CG LYS A 53 4.229 -8.739 9.383 1.00 0.00 C ATOM 788 CD LYS A 53 5.540 -9.336 9.893 1.00 0.00 C ATOM 789 CE LYS A 53 5.720 -9.117 11.387 1.00 0.00 C ATOM 790 NZ LYS A 53 6.987 -9.695 11.893 1.00 0.00 N ATOM 0 HA LYS A 53 2.244 -7.759 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.735 -9.475 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.779 -7.729 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.080 -7.755 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.396 -9.364 9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.560 -10.404 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.376 -8.887 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.701 -8.048 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.881 -9.564 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.064 -9.520 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.997 -10.720 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.791 -9.251 11.404 1.00 0.00 H new ATOM 804 N GLY A 54 3.463 -7.009 5.500 1.00 0.00 N ATOM 805 CA GLY A 54 3.620 -6.527 4.132 1.00 0.00 C ATOM 806 C GLY A 54 3.315 -5.073 4.079 1.00 0.00 C ATOM 807 O GLY A 54 2.655 -4.594 4.955 1.00 0.00 O ATOM 0 H GLY A 54 3.835 -6.379 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.638 -6.709 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.954 -7.073 3.464 1.00 0.00 H new ATOM 811 N ILE A 55 3.808 -4.378 3.091 1.00 0.00 N ATOM 812 CA ILE A 55 3.604 -2.947 2.969 1.00 0.00 C ATOM 813 C ILE A 55 2.209 -2.664 2.469 1.00 0.00 C ATOM 814 O ILE A 55 1.738 -3.285 1.534 1.00 0.00 O ATOM 815 CB ILE A 55 4.663 -2.301 2.021 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.066 -2.524 2.585 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.396 -0.800 1.826 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.381 -1.710 3.793 1.00 0.00 C ATOM 0 H ILE A 55 4.367 -4.784 2.340 1.00 0.00 H new ATOM 0 HA ILE A 55 3.726 -2.502 3.956 1.00 0.00 H new ATOM 0 HB ILE A 55 4.587 -2.780 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.181 -3.579 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.797 -2.297 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.150 -0.380 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.408 -0.660 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.440 -0.294 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.395 -1.931 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.302 -0.651 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.677 -1.952 4.589 1.00 0.00 H new ATOM 830 N TYR A 56 1.549 -1.768 3.125 1.00 0.00 N ATOM 831 CA TYR A 56 0.228 -1.356 2.766 1.00 0.00 C ATOM 832 C TYR A 56 0.147 0.112 2.792 1.00 0.00 C ATOM 833 O TYR A 56 0.938 0.775 3.476 1.00 0.00 O ATOM 834 CB TYR A 56 -0.829 -1.964 3.679 1.00 0.00 C ATOM 835 CG TYR A 56 -0.378 -2.023 5.088 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.440 -0.926 5.925 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.164 -3.177 5.560 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.036 -0.999 7.196 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.638 -3.272 6.811 1.00 0.00 C ATOM 840 CZ TYR A 56 0.580 -2.170 7.637 1.00 0.00 C ATOM 841 OH TYR A 56 1.061 -2.235 8.889 1.00 0.00 O ATOM 0 H TYR A 56 1.920 -1.289 3.946 1.00 0.00 H new ATOM 0 HA TYR A 56 0.025 -1.717 1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.744 -1.376 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.072 -2.969 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.870 -0.003 5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.214 -4.039 4.911 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.016 -0.140 7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.060 -4.200 7.167 1.00 0.00 H new ATOM 0 HH TYR A 56 1.164 -1.329 9.247 1.00 0.00 H new ATOM 851 N VAL A 57 -0.783 0.600 2.070 1.00 0.00 N ATOM 852 CA VAL A 57 -1.017 1.987 1.926 1.00 0.00 C ATOM 853 C VAL A 57 -1.889 2.524 3.084 1.00 0.00 C ATOM 854 O VAL A 57 -2.902 1.911 3.463 1.00 0.00 O ATOM 855 CB VAL A 57 -1.675 2.249 0.555 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.964 1.526 0.429 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.848 3.696 0.289 1.00 0.00 C ATOM 0 H VAL A 57 -1.433 0.021 1.538 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.068 2.521 1.969 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.995 1.861 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.402 1.731 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.792 0.455 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.647 1.860 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.315 3.833 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.482 4.134 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.875 4.187 0.298 1.00 0.00 H new ATOM 867 N THR A 58 -1.470 3.624 3.658 1.00 0.00 N ATOM 868 CA THR A 58 -2.188 4.246 4.745 1.00 0.00 C ATOM 869 C THR A 58 -2.826 5.574 4.317 1.00 0.00 C ATOM 870 O THR A 58 -3.809 6.040 4.912 1.00 0.00 O ATOM 871 CB THR A 58 -1.239 4.475 5.917 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.038 5.098 5.430 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.902 3.158 6.597 1.00 0.00 C ATOM 0 H THR A 58 -0.619 4.116 3.385 1.00 0.00 H new ATOM 0 HA THR A 58 -2.994 3.577 5.047 1.00 0.00 H new ATOM 0 HB THR A 58 -1.722 5.122 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.578 5.250 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.224 3.342 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.817 2.696 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.423 2.491 5.880 1.00 0.00 H new ATOM 881 N ARG A 59 -2.283 6.170 3.290 1.00 0.00 N ATOM 882 CA ARG A 59 -2.793 7.419 2.777 1.00 0.00 C ATOM 883 C ARG A 59 -2.811 7.287 1.306 1.00 0.00 C ATOM 884 O ARG A 59 -1.941 6.657 0.772 1.00 0.00 O ATOM 885 CB ARG A 59 -1.831 8.538 3.079 1.00 0.00 C ATOM 886 CG ARG A 59 -2.411 9.941 2.957 1.00 0.00 C ATOM 887 CD ARG A 59 -1.325 11.001 3.066 1.00 0.00 C ATOM 888 NE ARG A 59 -0.590 10.924 4.328 1.00 0.00 N ATOM 889 CZ ARG A 59 0.577 11.530 4.588 1.00 0.00 C ATOM 890 NH1 ARG A 59 1.205 12.221 3.637 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.117 11.427 5.797 1.00 0.00 N ATOM 0 H ARG A 59 -1.476 5.806 2.784 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.769 7.630 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.451 8.406 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.978 8.455 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.926 10.042 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.155 10.098 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.628 10.888 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.776 11.989 2.972 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.000 10.362 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.798 12.291 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.093 12.680 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.644 10.889 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.005 11.886 6.000 1.00 0.00 H new ATOM 905 N VAL A 60 -3.745 7.882 0.668 1.00 0.00 N ATOM 906 CA VAL A 60 -3.827 7.903 -0.769 1.00 0.00 C ATOM 907 C VAL A 60 -4.166 9.304 -1.158 1.00 0.00 C ATOM 908 O VAL A 60 -4.744 10.036 -0.353 1.00 0.00 O ATOM 909 CB VAL A 60 -4.855 6.843 -1.379 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.254 7.139 -2.803 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.284 5.457 -1.304 1.00 0.00 C ATOM 0 H VAL A 60 -4.502 8.386 1.129 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.869 7.596 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.756 6.919 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.953 6.378 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.730 8.118 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.368 7.135 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.997 4.747 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.354 5.416 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.086 5.201 -0.263 1.00 0.00 H new ATOM 921 N SER A 61 -3.735 9.698 -2.325 1.00 0.00 N ATOM 922 CA SER A 61 -4.002 10.963 -2.868 1.00 0.00 C ATOM 923 C SER A 61 -5.497 11.221 -2.849 1.00 0.00 C ATOM 924 O SER A 61 -6.274 10.393 -3.323 1.00 0.00 O ATOM 925 CB SER A 61 -3.524 10.900 -4.274 1.00 0.00 C ATOM 926 OG SER A 61 -4.053 9.735 -4.892 1.00 0.00 O ATOM 0 H SER A 61 -3.167 9.108 -2.933 1.00 0.00 H new ATOM 0 HA SER A 61 -3.515 11.760 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.838 11.790 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.435 10.878 -4.300 1.00 0.00 H new ATOM 0 HG SER A 61 -4.932 9.532 -4.509 1.00 0.00 H new ATOM 932 N GLU A 62 -5.868 12.329 -2.300 1.00 0.00 N ATOM 933 CA GLU A 62 -7.257 12.737 -2.182 1.00 0.00 C ATOM 934 C GLU A 62 -7.896 12.998 -3.559 1.00 0.00 C ATOM 935 O GLU A 62 -9.118 13.017 -3.700 1.00 0.00 O ATOM 936 CB GLU A 62 -7.328 13.974 -1.295 1.00 0.00 C ATOM 937 CG GLU A 62 -6.399 15.093 -1.753 1.00 0.00 C ATOM 938 CD GLU A 62 -6.370 16.271 -0.823 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.631 16.228 0.184 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.056 17.285 -1.096 1.00 0.00 O ATOM 0 H GLU A 62 -5.210 13.002 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.829 11.928 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.353 14.344 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.075 13.695 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.389 14.696 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.710 15.430 -2.742 1.00 0.00 H new ATOM 947 N GLY A 63 -7.056 13.212 -4.536 1.00 0.00 N ATOM 948 CA GLY A 63 -7.478 13.423 -5.888 1.00 0.00 C ATOM 949 C GLY A 63 -6.275 13.388 -6.775 1.00 0.00 C ATOM 950 O GLY A 63 -6.035 14.302 -7.576 1.00 0.00 O ATOM 0 H GLY A 63 -6.044 13.244 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.190 12.654 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.988 14.382 -5.980 1.00 0.00 H new ATOM 954 N GLY A 64 -5.494 12.352 -6.606 1.00 0.00 N ATOM 955 CA GLY A 64 -4.255 12.222 -7.317 1.00 0.00 C ATOM 956 C GLY A 64 -4.117 10.884 -7.992 1.00 0.00 C ATOM 957 O GLY A 64 -5.069 10.104 -7.999 1.00 0.00 O ATOM 0 H GLY A 64 -5.701 11.579 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.184 13.012 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.425 12.363 -6.624 1.00 0.00 H new ATOM 961 N PRO A 65 -2.892 10.536 -8.431 1.00 0.00 N ATOM 962 CA PRO A 65 -2.640 9.374 -9.301 1.00 0.00 C ATOM 963 C PRO A 65 -2.989 8.061 -8.653 1.00 0.00 C ATOM 964 O PRO A 65 -3.452 7.135 -9.318 1.00 0.00 O ATOM 965 CB PRO A 65 -1.140 9.435 -9.560 1.00 0.00 C ATOM 966 CG PRO A 65 -0.578 10.233 -8.437 1.00 0.00 C ATOM 967 CD PRO A 65 -1.638 11.213 -8.053 1.00 0.00 C ATOM 0 HA PRO A 65 -3.255 9.420 -10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.705 8.436 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.926 9.903 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.317 9.591 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.334 10.746 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.609 11.437 -6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.519 12.159 -8.581 1.00 0.00 H new ATOM 975 N ALA A 66 -2.779 7.992 -7.357 1.00 0.00 N ATOM 976 CA ALA A 66 -3.041 6.808 -6.603 1.00 0.00 C ATOM 977 C ALA A 66 -4.512 6.426 -6.701 1.00 0.00 C ATOM 978 O ALA A 66 -4.828 5.328 -7.165 1.00 0.00 O ATOM 979 CB ALA A 66 -2.573 6.977 -5.170 1.00 0.00 C ATOM 0 H ALA A 66 -2.418 8.768 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.472 5.980 -7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.780 6.065 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.501 7.174 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.101 7.813 -4.711 1.00 0.00 H new ATOM 985 N GLU A 67 -5.419 7.327 -6.336 1.00 0.00 N ATOM 986 CA GLU A 67 -6.840 6.995 -6.456 1.00 0.00 C ATOM 987 C GLU A 67 -7.323 7.005 -7.902 1.00 0.00 C ATOM 988 O GLU A 67 -8.284 6.308 -8.241 1.00 0.00 O ATOM 989 CB GLU A 67 -7.756 7.846 -5.601 1.00 0.00 C ATOM 990 CG GLU A 67 -7.754 9.335 -5.877 1.00 0.00 C ATOM 991 CD GLU A 67 -9.075 9.936 -5.469 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.645 9.507 -4.433 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.595 10.822 -6.187 1.00 0.00 O ATOM 0 H GLU A 67 -5.212 8.256 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.903 5.978 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.775 7.478 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.486 7.693 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.942 9.814 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.574 9.517 -6.937 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.675 7.805 -8.745 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.000 7.837 -10.160 1.00 0.00 C ATOM 1002 C ILE A 68 -6.826 6.457 -10.764 1.00 0.00 C ATOM 1003 O ILE A 68 -7.701 5.966 -11.483 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.158 8.903 -10.933 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.611 10.334 -10.580 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.173 8.684 -12.445 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.073 10.625 -10.858 1.00 0.00 C ATOM 0 H ILE A 68 -5.924 8.437 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.044 8.135 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.126 8.777 -10.607 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.414 10.512 -9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.001 11.042 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.572 9.453 -12.930 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.759 7.702 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.198 8.740 -12.811 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.299 11.654 -10.579 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.277 10.484 -11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.696 9.946 -10.276 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.740 5.810 -10.419 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.489 4.489 -10.915 1.00 0.00 C ATOM 1021 C ALA A 69 -6.347 3.465 -10.186 1.00 0.00 C ATOM 1022 O ALA A 69 -7.107 2.716 -10.808 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.047 4.155 -10.779 1.00 0.00 C ATOM 0 H ALA A 69 -5.020 6.180 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.756 4.461 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.869 3.149 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.453 4.869 -11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.760 4.202 -9.728 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.247 3.436 -8.879 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.061 2.514 -8.125 1.00 0.00 C ATOM 1031 C GLY A 70 -6.395 2.035 -6.870 1.00 0.00 C ATOM 1032 O GLY A 70 -6.552 0.889 -6.473 1.00 0.00 O ATOM 0 H GLY A 70 -5.625 4.025 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.004 2.997 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.303 1.656 -8.752 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.622 2.896 -6.271 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.981 2.600 -5.007 1.00 0.00 C ATOM 1038 C LEU A 71 -5.867 3.076 -3.893 1.00 0.00 C ATOM 1039 O LEU A 71 -6.160 4.259 -3.803 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.584 3.252 -4.970 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.699 3.105 -3.719 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.912 1.755 -3.060 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.287 3.113 -4.201 1.00 0.00 C ATOM 0 H LEU A 71 -5.414 3.824 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.836 1.526 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.019 2.857 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.719 4.319 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.932 3.901 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.275 1.676 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.956 1.656 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.658 0.962 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.612 3.011 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.133 2.282 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.083 4.052 -4.715 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.349 2.149 -3.096 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.229 2.463 -2.004 1.00 0.00 C ATOM 1057 C GLN A 72 -6.517 2.217 -0.717 1.00 0.00 C ATOM 1058 O GLN A 72 -5.747 1.277 -0.611 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.497 1.605 -2.066 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.274 1.753 -3.355 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.786 3.156 -3.554 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.959 3.999 -4.095 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.905 3.485 -3.156 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.139 1.155 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.520 3.511 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.222 0.558 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.145 1.870 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.636 1.478 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.114 1.059 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.522 2.789 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.214 4.453 -3.246 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.746 3.076 0.241 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.148 2.940 1.562 1.00 0.00 C ATOM 1074 C ILE A 73 -6.509 1.575 2.161 1.00 0.00 C ATOM 1075 O ILE A 73 -7.691 1.223 2.229 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.621 4.066 2.506 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.160 5.422 1.991 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.107 3.842 3.914 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.612 6.570 2.851 1.00 0.00 C ATOM 0 H ILE A 73 -7.350 3.892 0.138 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.066 3.016 1.454 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.711 4.050 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.072 5.429 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.537 5.565 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.453 4.648 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.480 2.889 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.017 3.827 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.249 7.507 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.701 6.588 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.213 6.449 3.858 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.512 0.824 2.586 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.768 -0.503 3.086 1.00 0.00 C ATOM 1093 C GLY A 74 -5.300 -1.577 2.131 1.00 0.00 C ATOM 1094 O GLY A 74 -5.396 -2.768 2.427 1.00 0.00 O ATOM 0 H GLY A 74 -4.532 1.108 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.267 -0.630 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.837 -0.621 3.266 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.801 -1.171 0.981 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.279 -2.118 0.022 1.00 0.00 C ATOM 1100 C ASP A 75 -2.858 -2.439 0.296 1.00 0.00 C ATOM 1101 O ASP A 75 -2.044 -1.547 0.566 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.476 -1.668 -1.421 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.853 -2.013 -1.918 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.190 -3.212 -1.970 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -6.646 -1.111 -2.191 1.00 0.00 O ATOM 0 H ASP A 75 -4.747 -0.195 0.690 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.862 -3.031 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.320 -0.592 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.728 -2.142 -2.057 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.561 -3.712 0.300 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.222 -4.169 0.526 1.00 0.00 C ATOM 1112 C LYS A 76 -0.522 -4.243 -0.804 1.00 0.00 C ATOM 1113 O LYS A 76 -1.030 -4.866 -1.739 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.206 -5.530 1.237 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.987 -5.541 2.551 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.804 -6.828 3.344 1.00 0.00 C ATOM 1117 CE LYS A 76 -0.366 -7.006 3.800 1.00 0.00 C ATOM 1118 NZ LYS A 76 -0.212 -8.145 4.718 1.00 0.00 N ATOM 0 H LYS A 76 -3.241 -4.457 0.147 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.702 -3.470 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.623 -6.284 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.173 -5.815 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.670 -4.696 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.047 -5.400 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.463 -6.817 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.099 -7.679 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.274 -7.154 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.028 -6.095 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.708 -8.602 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.260 -7.808 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.975 -8.832 4.550 1.00 0.00 H new ATOM 1132 N ILE A 77 0.610 -3.617 -0.898 1.00 0.00 N ATOM 1133 CA ILE A 77 1.311 -3.527 -2.139 1.00 0.00 C ATOM 1134 C ILE A 77 2.284 -4.681 -2.227 1.00 0.00 C ATOM 1135 O ILE A 77 3.152 -4.845 -1.372 1.00 0.00 O ATOM 1136 CB ILE A 77 2.109 -2.192 -2.341 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.269 -0.906 -2.137 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.662 -2.168 -3.736 1.00 0.00 C ATOM 1139 CD1 ILE A 77 0.961 -0.551 -0.710 1.00 0.00 C ATOM 0 H ILE A 77 1.073 -3.154 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 77 0.552 -3.556 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 77 2.887 -2.186 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.800 -0.071 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.328 -1.019 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.220 -1.244 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.326 -3.021 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.843 -2.221 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.370 0.364 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.398 -1.361 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.892 -0.398 -0.164 1.00 0.00 H new ATOM 1151 N MET A 78 2.150 -5.471 -3.250 1.00 0.00 N ATOM 1152 CA MET A 78 2.991 -6.620 -3.393 1.00 0.00 C ATOM 1153 C MET A 78 4.047 -6.432 -4.466 1.00 0.00 C ATOM 1154 O MET A 78 5.040 -7.138 -4.483 1.00 0.00 O ATOM 1155 CB MET A 78 2.160 -7.883 -3.622 1.00 0.00 C ATOM 1156 CG MET A 78 1.279 -8.209 -2.430 1.00 0.00 C ATOM 1157 SD MET A 78 2.241 -8.488 -0.933 1.00 0.00 S ATOM 1158 CE MET A 78 0.963 -8.501 0.303 1.00 0.00 C ATOM 0 H MET A 78 1.467 -5.341 -3.997 1.00 0.00 H new ATOM 0 HA MET A 78 3.531 -6.745 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.538 -7.752 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.825 -8.723 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.578 -7.391 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.686 -9.097 -2.650 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.408 -8.361 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.257 -7.694 0.105 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.439 -9.456 0.274 1.00 0.00 H new ATOM 1168 N GLN A 79 3.875 -5.440 -5.318 1.00 0.00 N ATOM 1169 CA GLN A 79 4.807 -5.201 -6.413 1.00 0.00 C ATOM 1170 C GLN A 79 4.761 -3.706 -6.791 1.00 0.00 C ATOM 1171 O GLN A 79 3.694 -3.125 -6.814 1.00 0.00 O ATOM 1172 CB GLN A 79 4.450 -6.194 -7.567 1.00 0.00 C ATOM 1173 CG GLN A 79 5.346 -6.242 -8.808 1.00 0.00 C ATOM 1174 CD GLN A 79 5.032 -5.177 -9.823 1.00 0.00 C ATOM 1175 OE1 GLN A 79 5.725 -4.097 -9.763 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 4.201 -5.367 -10.698 1.00 0.00 N flip ATOM 0 H GLN A 79 3.097 -4.782 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 79 5.845 -5.398 -6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.423 -7.197 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.438 -5.962 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.386 -6.141 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.247 -7.220 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.668 -6.237 -10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.040 -4.656 -11.411 1.00 0.00 H new ATOM 1185 N VAL A 80 5.938 -3.087 -7.016 1.00 0.00 N ATOM 1186 CA VAL A 80 6.066 -1.638 -7.305 1.00 0.00 C ATOM 1187 C VAL A 80 7.133 -1.386 -8.372 1.00 0.00 C ATOM 1188 O VAL A 80 8.278 -1.758 -8.190 1.00 0.00 O ATOM 1189 CB VAL A 80 6.483 -0.813 -6.033 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.778 0.649 -6.361 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.440 -0.893 -4.965 1.00 0.00 C ATOM 0 H VAL A 80 6.832 -3.578 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 80 5.083 -1.315 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 80 7.403 -1.266 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.061 1.176 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.595 0.703 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.888 1.113 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.760 -0.312 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.500 -0.492 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.299 -1.933 -4.671 1.00 0.00 H new ATOM 1201 N ASN A 81 6.715 -0.817 -9.494 1.00 0.00 N ATOM 1202 CA ASN A 81 7.597 -0.320 -10.587 1.00 0.00 C ATOM 1203 C ASN A 81 8.441 -1.432 -11.237 1.00 0.00 C ATOM 1204 O ASN A 81 9.375 -1.171 -11.992 1.00 0.00 O ATOM 1205 CB ASN A 81 8.491 0.831 -10.088 1.00 0.00 C ATOM 1206 CG ASN A 81 8.924 1.800 -11.194 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.078 1.978 -12.193 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.004 2.389 -11.132 1.00 0.00 N flip ATOM 0 H ASN A 81 5.725 -0.675 -9.693 1.00 0.00 H new ATOM 0 HA ASN A 81 6.938 0.059 -11.368 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.956 1.388 -9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.380 0.411 -9.617 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.630 2.224 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.272 3.041 -11.869 1.00 0.00 H new ATOM 1215 N GLY A 82 8.073 -2.654 -10.970 1.00 0.00 N ATOM 1216 CA GLY A 82 8.757 -3.798 -11.523 1.00 0.00 C ATOM 1217 C GLY A 82 9.437 -4.613 -10.461 1.00 0.00 C ATOM 1218 O GLY A 82 9.819 -5.759 -10.693 1.00 0.00 O ATOM 0 H GLY A 82 7.289 -2.889 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.043 -4.424 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.495 -3.462 -12.251 1.00 0.00 H new ATOM 1222 N TRP A 83 9.586 -4.024 -9.313 1.00 0.00 N ATOM 1223 CA TRP A 83 10.150 -4.683 -8.170 1.00 0.00 C ATOM 1224 C TRP A 83 9.004 -5.323 -7.396 1.00 0.00 C ATOM 1225 O TRP A 83 7.875 -4.829 -7.447 1.00 0.00 O ATOM 1226 CB TRP A 83 10.952 -3.627 -7.323 1.00 0.00 C ATOM 1227 CG TRP A 83 10.556 -3.444 -5.865 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.386 -2.931 -5.394 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.361 -3.701 -4.702 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.392 -2.899 -4.030 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.585 -3.353 -3.583 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.647 -4.207 -4.492 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.039 -3.482 -2.292 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.101 -4.330 -3.189 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.296 -3.970 -2.105 1.00 0.00 C ATOM 0 H TRP A 83 9.315 -3.056 -9.140 1.00 0.00 H new ATOM 0 HA TRP A 83 10.853 -5.469 -8.446 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.006 -3.904 -7.352 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.862 -2.661 -7.819 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.567 -2.596 -6.014 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.621 -2.583 -3.442 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.271 -4.495 -5.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.418 -3.205 -1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.095 -4.711 -3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.678 -4.081 -1.101 1.00 0.00 H new ATOM 1246 N ASP A 84 9.263 -6.395 -6.736 1.00 0.00 N ATOM 1247 CA ASP A 84 8.270 -7.033 -5.912 1.00 0.00 C ATOM 1248 C ASP A 84 8.472 -6.592 -4.507 1.00 0.00 C ATOM 1249 O ASP A 84 9.491 -6.880 -3.884 1.00 0.00 O ATOM 1250 CB ASP A 84 8.275 -8.564 -6.017 1.00 0.00 C ATOM 1251 CG ASP A 84 7.736 -9.081 -7.344 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.457 -9.034 -8.357 1.00 0.00 O ATOM 1253 OD2 ASP A 84 6.578 -9.577 -7.390 1.00 0.00 O ATOM 0 H ASP A 84 10.168 -6.864 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 84 7.288 -6.728 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.294 -8.927 -5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.678 -8.978 -5.205 1.00 0.00 H new ATOM 1258 N MET A 85 7.517 -5.873 -4.029 1.00 0.00 N ATOM 1259 CA MET A 85 7.564 -5.263 -2.738 1.00 0.00 C ATOM 1260 C MET A 85 7.284 -6.261 -1.660 1.00 0.00 C ATOM 1261 O MET A 85 8.147 -6.537 -0.859 1.00 0.00 O ATOM 1262 CB MET A 85 6.584 -4.078 -2.697 1.00 0.00 C ATOM 1263 CG MET A 85 6.369 -3.484 -1.324 1.00 0.00 C ATOM 1264 SD MET A 85 5.824 -1.780 -1.381 1.00 0.00 S ATOM 1265 CE MET A 85 7.304 -0.987 -2.009 1.00 0.00 C ATOM 0 H MET A 85 6.653 -5.685 -4.538 1.00 0.00 H new ATOM 0 HA MET A 85 8.569 -4.883 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.952 -3.297 -3.362 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.622 -4.406 -3.091 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.630 -4.079 -0.788 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.298 -3.544 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.281 0.074 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.183 -1.447 -1.557 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.349 -1.106 -3.092 1.00 0.00 H new ATOM 1275 N THR A 86 6.098 -6.836 -1.742 1.00 0.00 N ATOM 1276 CA THR A 86 5.503 -7.794 -0.808 1.00 0.00 C ATOM 1277 C THR A 86 6.052 -7.780 0.669 1.00 0.00 C ATOM 1278 O THR A 86 5.433 -7.204 1.578 1.00 0.00 O ATOM 1279 CB THR A 86 5.404 -9.224 -1.450 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.816 -10.150 -0.555 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.747 -9.744 -1.958 1.00 0.00 C ATOM 0 H THR A 86 5.472 -6.634 -2.521 1.00 0.00 H new ATOM 0 HA THR A 86 4.488 -7.431 -0.648 1.00 0.00 H new ATOM 0 HB THR A 86 4.756 -9.121 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.876 -9.914 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.613 -10.736 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.136 -9.066 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.452 -9.802 -1.129 1.00 0.00 H new ATOM 1289 N MET A 87 7.213 -8.341 0.860 1.00 0.00 N ATOM 1290 CA MET A 87 7.842 -8.477 2.126 1.00 0.00 C ATOM 1291 C MET A 87 9.092 -7.621 2.110 1.00 0.00 C ATOM 1292 O MET A 87 10.136 -8.021 1.585 1.00 0.00 O ATOM 1293 CB MET A 87 8.195 -9.950 2.400 1.00 0.00 C ATOM 1294 CG MET A 87 8.864 -10.180 3.740 1.00 0.00 C ATOM 1295 SD MET A 87 9.251 -11.912 4.055 1.00 0.00 S ATOM 1296 CE MET A 87 9.983 -11.778 5.686 1.00 0.00 C ATOM 0 H MET A 87 7.765 -8.731 0.096 1.00 0.00 H new ATOM 0 HA MET A 87 7.171 -8.152 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.284 -10.547 2.352 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.854 -10.309 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.783 -9.596 3.785 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.212 -9.811 4.532 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.531 -12.692 5.915 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.667 -10.930 5.709 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.197 -11.631 6.427 1.00 0.00 H new ATOM 1306 N VAL A 88 8.938 -6.426 2.579 1.00 0.00 N ATOM 1307 CA VAL A 88 9.998 -5.452 2.631 1.00 0.00 C ATOM 1308 C VAL A 88 9.766 -4.555 3.840 1.00 0.00 C ATOM 1309 O VAL A 88 8.615 -4.444 4.336 1.00 0.00 O ATOM 1310 CB VAL A 88 10.004 -4.601 1.325 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.712 -3.865 1.152 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.164 -3.641 1.285 1.00 0.00 C ATOM 0 H VAL A 88 8.051 -6.084 2.948 1.00 0.00 H new ATOM 0 HA VAL A 88 10.962 -5.952 2.718 1.00 0.00 H new ATOM 0 HB VAL A 88 10.120 -5.297 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.747 -3.280 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.891 -4.580 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.557 -3.198 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.130 -3.068 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.103 -2.961 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.099 -4.198 1.333 1.00 0.00 H new ATOM 1322 N THR A 89 10.827 -3.990 4.376 1.00 0.00 N ATOM 1323 CA THR A 89 10.716 -3.082 5.455 1.00 0.00 C ATOM 1324 C THR A 89 10.100 -1.795 4.988 1.00 0.00 C ATOM 1325 O THR A 89 10.187 -1.449 3.806 1.00 0.00 O ATOM 1326 CB THR A 89 12.083 -2.810 6.115 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.104 -2.668 5.112 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.442 -3.908 7.087 1.00 0.00 C ATOM 0 H THR A 89 11.783 -4.159 4.063 1.00 0.00 H new ATOM 0 HA THR A 89 10.071 -3.538 6.206 1.00 0.00 H new ATOM 0 HB THR A 89 12.012 -1.877 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.978 -2.876 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.410 -3.692 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.683 -3.966 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.492 -4.860 6.558 1.00 0.00 H new ATOM 1336 N HIS A 90 9.445 -1.114 5.911 1.00 0.00 N ATOM 1337 CA HIS A 90 8.846 0.190 5.663 1.00 0.00 C ATOM 1338 C HIS A 90 9.887 1.101 5.026 1.00 0.00 C ATOM 1339 O HIS A 90 9.637 1.716 4.006 1.00 0.00 O ATOM 1340 CB HIS A 90 8.372 0.782 7.008 1.00 0.00 C ATOM 1341 CG HIS A 90 7.653 2.104 6.928 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.330 2.267 7.239 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.084 3.317 6.525 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.995 3.524 6.999 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.026 4.219 6.567 1.00 0.00 N ATOM 0 H HIS A 90 9.311 -1.452 6.864 1.00 0.00 H new ATOM 0 HA HIS A 90 7.994 0.097 4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.712 0.060 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.240 0.901 7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.093 3.551 6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.003 3.928 7.139 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.045 5.208 6.317 1.00 0.00 H new ATOM 1353 N ASP A 91 11.059 1.077 5.610 1.00 0.00 N ATOM 1354 CA ASP A 91 12.190 1.894 5.214 1.00 0.00 C ATOM 1355 C ASP A 91 12.566 1.658 3.770 1.00 0.00 C ATOM 1356 O ASP A 91 12.689 2.596 2.993 1.00 0.00 O ATOM 1357 CB ASP A 91 13.366 1.557 6.103 1.00 0.00 C ATOM 1358 CG ASP A 91 14.593 2.395 5.809 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.558 3.636 5.984 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.599 1.836 5.373 1.00 0.00 O ATOM 0 H ASP A 91 11.264 0.468 6.402 1.00 0.00 H new ATOM 0 HA ASP A 91 11.915 2.943 5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.078 1.698 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.616 0.503 5.981 1.00 0.00 H new ATOM 1365 N GLN A 92 12.692 0.397 3.405 1.00 0.00 N ATOM 1366 CA GLN A 92 13.088 0.030 2.048 1.00 0.00 C ATOM 1367 C GLN A 92 11.971 0.298 1.043 1.00 0.00 C ATOM 1368 O GLN A 92 12.223 0.723 -0.081 1.00 0.00 O ATOM 1369 CB GLN A 92 13.565 -1.430 1.999 1.00 0.00 C ATOM 1370 CG GLN A 92 15.093 -1.603 1.993 1.00 0.00 C ATOM 1371 CD GLN A 92 15.815 -0.933 3.159 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.949 -0.483 3.013 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.223 -0.926 4.318 1.00 0.00 N ATOM 0 H GLN A 92 12.527 -0.396 4.026 1.00 0.00 H new ATOM 0 HA GLN A 92 13.927 0.663 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.155 -1.962 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.155 -1.903 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.325 -2.668 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.487 -1.201 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.281 -1.306 4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.701 -0.541 5.132 1.00 0.00 H new ATOM 1382 N ALA A 93 10.748 0.084 1.474 1.00 0.00 N ATOM 1383 CA ALA A 93 9.573 0.321 0.653 1.00 0.00 C ATOM 1384 C ALA A 93 9.401 1.794 0.344 1.00 0.00 C ATOM 1385 O ALA A 93 9.058 2.168 -0.786 1.00 0.00 O ATOM 1386 CB ALA A 93 8.347 -0.193 1.352 1.00 0.00 C ATOM 0 H ALA A 93 10.535 -0.262 2.410 1.00 0.00 H new ATOM 0 HA ALA A 93 9.711 -0.211 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.471 -0.011 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.451 -1.263 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.229 0.322 2.305 1.00 0.00 H new ATOM 1392 N ARG A 94 9.644 2.629 1.348 1.00 0.00 N ATOM 1393 CA ARG A 94 9.530 4.080 1.217 1.00 0.00 C ATOM 1394 C ARG A 94 10.395 4.589 0.073 1.00 0.00 C ATOM 1395 O ARG A 94 9.944 5.366 -0.759 1.00 0.00 O ATOM 1396 CB ARG A 94 9.920 4.771 2.531 1.00 0.00 C ATOM 1397 CG ARG A 94 8.936 4.618 3.652 1.00 0.00 C ATOM 1398 CD ARG A 94 7.618 5.318 3.402 1.00 0.00 C ATOM 1399 NE ARG A 94 7.682 6.767 3.617 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.740 7.476 4.275 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.776 6.846 4.955 1.00 0.00 N ATOM 1402 NH2 ARG A 94 6.806 8.797 4.322 1.00 0.00 N ATOM 0 H ARG A 94 9.926 2.320 2.278 1.00 0.00 H new ATOM 0 HA ARG A 94 8.491 4.320 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.882 4.377 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.061 5.834 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.749 3.557 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.378 5.010 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.299 5.123 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.859 4.893 4.058 1.00 0.00 H new ATOM 0 HE ARG A 94 8.488 7.271 3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.751 5.827 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.066 7.385 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.572 9.286 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.091 9.326 4.821 1.00 0.00 H new ATOM 1416 N LYS A 95 11.561 4.006 -0.063 1.00 0.00 N ATOM 1417 CA LYS A 95 12.559 4.424 -1.050 1.00 0.00 C ATOM 1418 C LYS A 95 12.227 3.777 -2.399 1.00 0.00 C ATOM 1419 O LYS A 95 13.105 3.498 -3.209 1.00 0.00 O ATOM 1420 CB LYS A 95 13.957 3.958 -0.610 1.00 0.00 C ATOM 1421 CG LYS A 95 14.251 4.152 0.863 1.00 0.00 C ATOM 1422 CD LYS A 95 15.676 3.762 1.207 1.00 0.00 C ATOM 1423 CE LYS A 95 15.852 3.560 2.709 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.472 4.739 3.524 1.00 0.00 N ATOM 0 H LYS A 95 11.859 3.217 0.510 1.00 0.00 H new ATOM 0 HA LYS A 95 12.547 5.511 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.067 2.901 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.705 4.498 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.084 5.195 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.557 3.554 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.940 2.844 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.360 4.536 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.253 2.705 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.893 3.311 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.356 4.452 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.217 5.462 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.576 5.131 3.170 1.00 0.00 H new ATOM 1438 N ARG A 96 10.958 3.558 -2.631 1.00 0.00 N ATOM 1439 CA ARG A 96 10.493 2.927 -3.831 1.00 0.00 C ATOM 1440 C ARG A 96 9.122 3.453 -4.211 1.00 0.00 C ATOM 1441 O ARG A 96 8.872 3.740 -5.382 1.00 0.00 O ATOM 1442 CB ARG A 96 10.522 1.385 -3.667 1.00 0.00 C ATOM 1443 CG ARG A 96 9.983 0.530 -4.828 1.00 0.00 C ATOM 1444 CD ARG A 96 10.746 0.698 -6.147 1.00 0.00 C ATOM 1445 NE ARG A 96 10.462 1.979 -6.809 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.203 2.530 -7.775 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.321 1.953 -8.187 1.00 0.00 N ATOM 1448 NH2 ARG A 96 10.824 3.669 -8.321 1.00 0.00 N ATOM 0 H ARG A 96 10.214 3.817 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 96 11.161 3.174 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.554 1.087 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.953 1.132 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.015 -0.519 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.936 0.783 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.816 0.623 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.485 -0.119 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 96 9.632 2.489 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.627 1.076 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.876 2.386 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.968 4.126 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.387 4.093 -9.059 1.00 0.00 H new ATOM 1462 N LEU A 97 8.251 3.583 -3.250 1.00 0.00 N ATOM 1463 CA LEU A 97 6.912 4.092 -3.528 1.00 0.00 C ATOM 1464 C LEU A 97 6.703 5.548 -3.145 1.00 0.00 C ATOM 1465 O LEU A 97 5.716 6.144 -3.500 1.00 0.00 O ATOM 1466 CB LEU A 97 5.881 3.206 -2.895 1.00 0.00 C ATOM 1467 CG LEU A 97 6.188 2.729 -1.493 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.205 3.859 -0.471 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.221 1.696 -1.113 1.00 0.00 C ATOM 0 H LEU A 97 8.429 3.350 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 97 6.796 4.069 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.932 3.742 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.740 2.333 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 97 7.195 2.313 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.431 3.454 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.967 4.588 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.229 4.345 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.438 1.349 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.214 2.111 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.291 0.859 -1.807 1.00 0.00 H new ATOM 1481 N THR A 98 7.560 6.081 -2.354 1.00 0.00 N ATOM 1482 CA THR A 98 7.438 7.492 -2.081 1.00 0.00 C ATOM 1483 C THR A 98 8.713 8.235 -2.478 1.00 0.00 C ATOM 1484 O THR A 98 8.878 9.425 -2.162 1.00 0.00 O ATOM 1485 CB THR A 98 6.983 7.789 -0.610 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.691 9.176 -0.437 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.031 7.388 0.388 1.00 0.00 C ATOM 0 H THR A 98 8.330 5.597 -1.893 1.00 0.00 H new ATOM 0 HA THR A 98 6.634 7.879 -2.707 1.00 0.00 H new ATOM 0 HB THR A 98 6.084 7.198 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.391 9.713 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.678 7.610 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.228 6.320 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.949 7.943 0.195 1.00 0.00 H new ATOM 1495 N LYS A 99 9.612 7.536 -3.195 1.00 0.00 N ATOM 1496 CA LYS A 99 10.803 8.179 -3.743 1.00 0.00 C ATOM 1497 C LYS A 99 10.399 9.164 -4.865 1.00 0.00 C ATOM 1498 O LYS A 99 9.256 9.167 -5.311 1.00 0.00 O ATOM 1499 CB LYS A 99 11.769 7.148 -4.328 1.00 0.00 C ATOM 1500 CG LYS A 99 11.228 6.443 -5.561 1.00 0.00 C ATOM 1501 CD LYS A 99 12.346 5.985 -6.474 1.00 0.00 C ATOM 1502 CE LYS A 99 13.173 4.866 -5.892 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.271 4.453 -6.806 1.00 0.00 N ATOM 0 H LYS A 99 9.532 6.540 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 99 11.297 8.710 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.706 7.643 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.000 6.404 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.630 5.584 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.565 7.116 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.920 5.657 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.996 6.832 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.595 5.185 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.531 4.010 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.685 3.560 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.892 4.320 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.004 5.190 -6.823 1.00 0.00 H new ATOM 1517 N ARG A 100 11.346 9.950 -5.339 1.00 0.00 N ATOM 1518 CA ARG A 100 11.066 10.926 -6.388 1.00 0.00 C ATOM 1519 C ARG A 100 11.983 10.721 -7.599 1.00 0.00 C ATOM 1520 O ARG A 100 12.083 11.580 -8.477 1.00 0.00 O ATOM 1521 CB ARG A 100 11.243 12.339 -5.850 1.00 0.00 C ATOM 1522 CG ARG A 100 12.626 12.625 -5.312 1.00 0.00 C ATOM 1523 CD ARG A 100 12.775 14.095 -4.992 1.00 0.00 C ATOM 1524 NE ARG A 100 14.151 14.476 -4.666 1.00 0.00 N ATOM 1525 CZ ARG A 100 14.485 15.474 -3.835 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.555 16.053 -3.080 1.00 0.00 N ATOM 1527 NH2 ARG A 100 15.749 15.872 -3.736 1.00 0.00 N ATOM 0 H ARG A 100 12.315 9.936 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 100 10.034 10.783 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.020 13.050 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.514 12.509 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.804 12.032 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.376 12.328 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.434 14.683 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.127 14.345 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 100 14.907 13.946 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.586 15.738 -3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.811 16.812 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.472 15.418 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.996 16.632 -3.102 1.00 0.00 H new ATOM 1541 N SER A 101 12.656 9.596 -7.633 1.00 0.00 N ATOM 1542 CA SER A 101 13.566 9.290 -8.724 1.00 0.00 C ATOM 1543 C SER A 101 12.783 8.861 -9.964 1.00 0.00 C ATOM 1544 O SER A 101 13.098 9.259 -11.090 1.00 0.00 O ATOM 1545 CB SER A 101 14.556 8.199 -8.297 1.00 0.00 C ATOM 1546 OG SER A 101 15.529 7.942 -9.291 1.00 0.00 O ATOM 0 H SER A 101 12.594 8.871 -6.918 1.00 0.00 H new ATOM 0 HA SER A 101 14.132 10.187 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.052 8.502 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.011 7.281 -8.079 1.00 0.00 H new ATOM 0 HG SER A 101 15.128 7.415 -10.013 1.00 0.00 H new ATOM 1552 N GLU A 102 11.765 8.073 -9.753 1.00 0.00 N ATOM 1553 CA GLU A 102 10.943 7.584 -10.844 1.00 0.00 C ATOM 1554 C GLU A 102 9.602 8.251 -10.781 1.00 0.00 C ATOM 1555 O GLU A 102 9.276 8.867 -9.769 1.00 0.00 O ATOM 1556 CB GLU A 102 10.786 6.048 -10.846 1.00 0.00 C ATOM 1557 CG GLU A 102 12.024 5.247 -11.281 1.00 0.00 C ATOM 1558 CD GLU A 102 13.189 5.352 -10.335 1.00 0.00 C ATOM 1559 OE1 GLU A 102 13.141 4.721 -9.252 1.00 0.00 O ATOM 1560 OE2 GLU A 102 14.172 6.066 -10.638 1.00 0.00 O ATOM 0 H GLU A 102 11.477 7.749 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 102 11.449 7.834 -11.777 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.506 5.730 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.958 5.788 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.747 4.198 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.338 5.591 -12.266 1.00 0.00 H new ATOM 1567 N GLU A 103 8.833 8.125 -11.830 1.00 0.00 N ATOM 1568 CA GLU A 103 7.564 8.794 -11.905 1.00 0.00 C ATOM 1569 C GLU A 103 6.385 7.847 -12.070 1.00 0.00 C ATOM 1570 O GLU A 103 5.524 7.773 -11.204 1.00 0.00 O ATOM 1571 CB GLU A 103 7.585 9.882 -12.985 1.00 0.00 C ATOM 1572 CG GLU A 103 8.140 9.481 -14.333 1.00 0.00 C ATOM 1573 CD GLU A 103 8.145 10.634 -15.292 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.131 11.388 -15.324 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.160 10.818 -16.020 1.00 0.00 O ATOM 0 H GLU A 103 9.066 7.562 -12.648 1.00 0.00 H new ATOM 0 HA GLU A 103 7.409 9.275 -10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.566 10.241 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.169 10.723 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.155 9.103 -14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.544 8.667 -14.745 1.00 0.00 H new ATOM 1582 N VAL A 104 6.335 7.147 -13.170 1.00 0.00 N ATOM 1583 CA VAL A 104 5.229 6.253 -13.425 1.00 0.00 C ATOM 1584 C VAL A 104 5.565 4.889 -12.911 1.00 0.00 C ATOM 1585 O VAL A 104 6.581 4.306 -13.290 1.00 0.00 O ATOM 1586 CB VAL A 104 4.864 6.146 -14.917 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.552 5.434 -15.093 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.868 7.494 -15.584 1.00 0.00 C ATOM 0 H VAL A 104 7.042 7.175 -13.904 1.00 0.00 H new ATOM 0 HA VAL A 104 4.364 6.670 -12.909 1.00 0.00 H new ATOM 0 HB VAL A 104 5.631 5.550 -15.412 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.313 5.369 -16.154 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.624 4.430 -14.675 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.766 5.986 -14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.606 7.380 -16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.140 8.143 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.861 7.937 -15.503 1.00 0.00 H new ATOM 1598 N VAL A 105 4.741 4.382 -12.059 1.00 0.00 N ATOM 1599 CA VAL A 105 4.988 3.121 -11.453 1.00 0.00 C ATOM 1600 C VAL A 105 3.823 2.153 -11.648 1.00 0.00 C ATOM 1601 O VAL A 105 2.647 2.533 -11.545 1.00 0.00 O ATOM 1602 CB VAL A 105 5.266 3.283 -9.945 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.575 4.036 -9.699 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.121 4.027 -9.292 1.00 0.00 C ATOM 0 H VAL A 105 3.875 4.832 -11.763 1.00 0.00 H new ATOM 0 HA VAL A 105 5.867 2.704 -11.945 1.00 0.00 H new ATOM 0 HB VAL A 105 5.358 2.289 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.742 4.134 -8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.402 3.484 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.515 5.027 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.321 4.140 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.020 5.012 -9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.197 3.466 -9.430 1.00 0.00 H new ATOM 1614 N ARG A 106 4.156 0.930 -11.967 1.00 0.00 N ATOM 1615 CA ARG A 106 3.182 -0.143 -12.021 1.00 0.00 C ATOM 1616 C ARG A 106 3.212 -0.874 -10.719 1.00 0.00 C ATOM 1617 O ARG A 106 4.212 -1.518 -10.373 1.00 0.00 O ATOM 1618 CB ARG A 106 3.458 -1.105 -13.170 1.00 0.00 C ATOM 1619 CG ARG A 106 3.160 -0.531 -14.533 1.00 0.00 C ATOM 1620 CD ARG A 106 1.664 -0.381 -14.721 1.00 0.00 C ATOM 1621 NE ARG A 106 1.331 0.273 -15.971 1.00 0.00 N ATOM 1622 CZ ARG A 106 0.918 -0.327 -17.078 1.00 0.00 C ATOM 1623 NH1 ARG A 106 0.966 -1.648 -17.195 1.00 0.00 N ATOM 1624 NH2 ARG A 106 0.495 0.416 -18.078 1.00 0.00 N ATOM 0 H ARG A 106 5.107 0.644 -12.198 1.00 0.00 H new ATOM 0 HA ARG A 106 2.196 0.287 -12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.505 -1.407 -13.135 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.861 -2.006 -13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.647 0.438 -14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.568 -1.181 -15.307 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.196 -1.365 -14.692 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.251 0.193 -13.892 1.00 0.00 H new ATOM 0 HE ARG A 106 1.423 1.288 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.324 -2.215 -16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.645 -2.096 -18.053 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.490 1.432 -17.992 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.173 -0.024 -18.940 1.00 0.00 H new ATOM 1638 N LEU A 107 2.180 -0.725 -9.973 1.00 0.00 N ATOM 1639 CA LEU A 107 2.088 -1.332 -8.691 1.00 0.00 C ATOM 1640 C LEU A 107 1.078 -2.429 -8.762 1.00 0.00 C ATOM 1641 O LEU A 107 0.202 -2.406 -9.609 1.00 0.00 O ATOM 1642 CB LEU A 107 1.578 -0.330 -7.678 1.00 0.00 C ATOM 1643 CG LEU A 107 2.148 1.072 -7.734 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.548 1.898 -6.644 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.635 1.065 -7.614 1.00 0.00 C ATOM 0 H LEU A 107 1.364 -0.172 -10.236 1.00 0.00 H new ATOM 0 HA LEU A 107 3.072 -1.699 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.496 -0.258 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.769 -0.731 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 107 1.898 1.504 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.958 2.907 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.467 1.941 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.781 1.450 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.008 2.088 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.921 0.615 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.063 0.487 -8.433 1.00 0.00 H new ATOM 1657 N LEU A 108 1.189 -3.359 -7.897 1.00 0.00 N ATOM 1658 CA LEU A 108 0.222 -4.400 -7.764 1.00 0.00 C ATOM 1659 C LEU A 108 -0.165 -4.516 -6.336 1.00 0.00 C ATOM 1660 O LEU A 108 0.696 -4.702 -5.462 1.00 0.00 O ATOM 1661 CB LEU A 108 0.730 -5.736 -8.288 1.00 0.00 C ATOM 1662 CG LEU A 108 0.187 -6.183 -9.641 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.745 -5.330 -10.763 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.478 -7.650 -9.888 1.00 0.00 C ATOM 0 H LEU A 108 1.968 -3.429 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.645 -4.139 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.817 -5.686 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.491 -6.505 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.895 -6.051 -9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.340 -5.672 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.465 -4.289 -10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.832 -5.415 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.080 -7.941 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.555 -7.815 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.009 -8.250 -9.109 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.429 -4.384 -6.083 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.928 -4.452 -4.732 1.00 0.00 C ATOM 1678 C VAL A 109 -2.852 -5.600 -4.575 1.00 0.00 C ATOM 1679 O VAL A 109 -3.415 -6.100 -5.557 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.631 -3.167 -4.226 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.712 -1.979 -4.236 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.920 -2.873 -4.966 1.00 0.00 C ATOM 0 H VAL A 109 -2.144 -4.227 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.037 -4.576 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.902 -3.364 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.248 -1.102 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.857 -2.175 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.364 -1.797 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.368 -1.962 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.708 -2.741 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.612 -3.705 -4.835 1.00 0.00 H new ATOM 1692 N THR A 110 -2.995 -6.031 -3.382 1.00 0.00 N ATOM 1693 CA THR A 110 -3.838 -7.112 -3.089 1.00 0.00 C ATOM 1694 C THR A 110 -5.004 -6.677 -2.211 1.00 0.00 C ATOM 1695 O THR A 110 -4.801 -6.223 -1.073 1.00 0.00 O ATOM 1696 CB THR A 110 -3.034 -8.227 -2.405 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.338 -7.689 -1.267 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.031 -8.798 -3.360 1.00 0.00 C ATOM 0 H THR A 110 -2.520 -5.634 -2.571 1.00 0.00 H new ATOM 0 HA THR A 110 -4.251 -7.492 -4.023 1.00 0.00 H new ATOM 0 HB THR A 110 -3.721 -9.011 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.929 -7.075 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.466 -9.588 -2.865 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.548 -9.210 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.349 -8.012 -3.684 1.00 0.00 H new