USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 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 -130:sc= 0.212 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.934 K(o=1.1,f=0.54) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.205 F(o=-2.4!,f=-0.21) USER MOD Single : A 19 HIS :FLIP no HD1:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= 0.584 (180deg=-0.00862) USER MOD Single : A 23 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.21) USER MOD Single : A 26 ASN : amide:sc= 1.8 K(o=1.8,f=-6.5!) USER MOD Single : A 32 SER OG : rot -110:sc= 0.114 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.51! C(o=-6!,f=-3.5!) USER MOD Single : A 42 SER OG : rot 122:sc= 1.28 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.04! C(o=-3.2!,f=-2!) USER MOD Single : A 44 ASN : amide:sc= -3.05! C(o=-3.1!,f=-7.3!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 61 SER OG : rot -160:sc= -0.543 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.124 F(o=-1.3,f=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 147:sc= -5.86! (180deg=-7.2!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.992 F(o=-4.8,f=-0.99) USER MOD Single : A 81 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.7!) USER MOD Single : A 85 MET CE :methyl -167:sc= -3.76! (180deg=-4.44!) USER MOD Single : A 86 THR OG1 : rot 92:sc= 0.614 USER MOD Single : A 87 MET CE :methyl -178:sc= 0 (180deg=-0.00587) USER MOD Single : A 90 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-3.2!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0.906 (180deg=0.679) USER MOD Single : A 98 THR OG1 : rot -39:sc= 0.773 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -53:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.885 -10.970 -4.178 1.00 0.00 N ATOM 154 CA VAL A 12 -7.471 -10.874 -5.562 1.00 0.00 C ATOM 155 C VAL A 12 -6.420 -9.761 -5.677 1.00 0.00 C ATOM 156 O VAL A 12 -6.338 -8.901 -4.794 1.00 0.00 O ATOM 157 CB VAL A 12 -8.711 -10.575 -6.480 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.307 -9.193 -6.217 1.00 0.00 C ATOM 159 CG2 VAL A 12 -8.399 -10.767 -7.959 1.00 0.00 C ATOM 0 HA VAL A 12 -7.037 -11.818 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.468 -11.312 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.161 -9.034 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.633 -9.129 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.553 -8.429 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.288 -10.548 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.594 -10.093 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.091 -11.798 -8.135 1.00 0.00 H new ATOM 169 N VAL A 13 -5.616 -9.789 -6.708 1.00 0.00 N ATOM 170 CA VAL A 13 -4.613 -8.765 -6.913 1.00 0.00 C ATOM 171 C VAL A 13 -4.986 -7.941 -8.152 1.00 0.00 C ATOM 172 O VAL A 13 -5.622 -8.461 -9.068 1.00 0.00 O ATOM 173 CB VAL A 13 -3.180 -9.383 -7.050 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.036 -10.228 -8.289 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.091 -8.328 -6.972 1.00 0.00 C ATOM 0 H VAL A 13 -5.633 -10.513 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.589 -8.112 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.052 -10.045 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.025 -10.633 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.754 -11.047 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.224 -9.616 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.116 -8.804 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.226 -7.605 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.148 -7.816 -6.011 1.00 0.00 H new ATOM 185 N GLN A 14 -4.661 -6.667 -8.146 1.00 0.00 N ATOM 186 CA GLN A 14 -4.950 -5.798 -9.269 1.00 0.00 C ATOM 187 C GLN A 14 -3.792 -4.832 -9.470 1.00 0.00 C ATOM 188 O GLN A 14 -3.087 -4.495 -8.495 1.00 0.00 O ATOM 189 CB GLN A 14 -6.304 -5.072 -9.055 1.00 0.00 C ATOM 190 CG GLN A 14 -6.382 -4.076 -7.889 1.00 0.00 C ATOM 191 CD GLN A 14 -6.114 -2.628 -8.301 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.888 -2.213 -8.216 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.029 -1.888 -8.697 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.191 -6.205 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.052 -6.386 -10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.552 -4.539 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.075 -5.828 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.371 -4.138 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.661 -4.367 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.984 -2.243 -8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.826 -0.925 -8.966 1.00 0.00 H new ATOM 202 N ARG A 15 -3.584 -4.377 -10.690 1.00 0.00 N ATOM 203 CA ARG A 15 -2.475 -3.498 -10.974 1.00 0.00 C ATOM 204 C ARG A 15 -2.905 -2.056 -10.907 1.00 0.00 C ATOM 205 O ARG A 15 -4.050 -1.726 -11.199 1.00 0.00 O ATOM 206 CB ARG A 15 -1.807 -3.837 -12.335 1.00 0.00 C ATOM 207 CG ARG A 15 -2.558 -3.464 -13.630 1.00 0.00 C ATOM 208 CD ARG A 15 -2.375 -1.978 -14.015 1.00 0.00 C ATOM 209 NE ARG A 15 -2.723 -1.711 -15.416 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.873 -0.491 -15.979 1.00 0.00 C ATOM 211 NH1 ARG A 15 -3.090 0.595 -15.225 1.00 0.00 N ATOM 212 NH2 ARG A 15 -2.884 -0.385 -17.310 1.00 0.00 N ATOM 0 H ARG A 15 -4.168 -4.602 -11.495 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.719 -3.656 -10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.835 -3.344 -12.360 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.621 -4.911 -12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.203 -4.093 -14.446 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.620 -3.675 -13.504 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.995 -1.359 -13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.340 -1.686 -13.840 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.865 -2.520 -16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.144 0.509 -14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.201 1.508 -15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.780 -1.218 -17.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.996 0.529 -17.748 1.00 0.00 H new ATOM 226 N VAL A 16 -2.001 -1.219 -10.532 1.00 0.00 N ATOM 227 CA VAL A 16 -2.241 0.184 -10.447 1.00 0.00 C ATOM 228 C VAL A 16 -1.040 0.922 -11.038 1.00 0.00 C ATOM 229 O VAL A 16 0.052 0.342 -11.137 1.00 0.00 O ATOM 230 CB VAL A 16 -2.474 0.580 -8.971 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.227 0.542 -8.135 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.250 1.851 -8.817 1.00 0.00 C ATOM 0 H VAL A 16 -1.054 -1.494 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.133 0.456 -11.012 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.113 -0.203 -8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.466 0.831 -7.112 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.816 -0.468 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.492 1.235 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.379 2.072 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.709 2.668 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.228 1.739 -9.286 1.00 0.00 H new ATOM 242 N GLU A 17 -1.229 2.159 -11.434 1.00 0.00 N ATOM 243 CA GLU A 17 -0.176 2.919 -12.059 1.00 0.00 C ATOM 244 C GLU A 17 -0.242 4.380 -11.664 1.00 0.00 C ATOM 245 O GLU A 17 -1.121 5.126 -12.103 1.00 0.00 O ATOM 246 CB GLU A 17 -0.218 2.756 -13.574 1.00 0.00 C ATOM 247 CG GLU A 17 0.816 3.583 -14.307 1.00 0.00 C ATOM 248 CD GLU A 17 0.872 3.278 -15.774 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.136 3.447 -16.468 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.924 2.793 -16.255 1.00 0.00 O ATOM 0 H GLU A 17 -2.110 2.662 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 17 0.777 2.527 -11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.070 1.705 -13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.210 3.031 -13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.593 4.641 -14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.797 3.404 -13.866 1.00 0.00 H new ATOM 257 N ILE A 18 0.666 4.770 -10.834 1.00 0.00 N ATOM 258 CA ILE A 18 0.744 6.130 -10.386 1.00 0.00 C ATOM 259 C ILE A 18 1.705 6.896 -11.253 1.00 0.00 C ATOM 260 O ILE A 18 2.818 6.438 -11.498 1.00 0.00 O ATOM 261 CB ILE A 18 1.158 6.258 -8.874 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.016 6.003 -7.917 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.792 7.602 -8.574 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.473 4.575 -7.783 1.00 0.00 C ATOM 0 H ILE A 18 1.380 4.156 -10.442 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.257 6.552 -10.472 1.00 0.00 H new ATOM 0 HB ILE A 18 1.901 5.479 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.264 6.366 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.863 6.603 -8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.063 7.649 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.686 7.727 -9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.083 8.398 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.305 4.524 -7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.795 4.203 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.350 3.963 -7.415 1.00 0.00 H new ATOM 276 N HIS A 19 1.243 8.020 -11.748 1.00 0.00 N ATOM 277 CA HIS A 19 2.064 8.933 -12.510 1.00 0.00 C ATOM 278 C HIS A 19 2.564 10.019 -11.555 1.00 0.00 C ATOM 279 O HIS A 19 1.893 10.304 -10.559 1.00 0.00 O ATOM 280 CB HIS A 19 1.248 9.589 -13.638 1.00 0.00 C ATOM 281 CG HIS A 19 0.644 8.658 -14.658 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.864 7.351 -14.885 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.293 9.045 -15.593 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.077 6.923 -15.950 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.604 7.987 -16.339 1.00 0.00 N flip ATOM 0 H HIS A 19 0.278 8.330 -11.632 1.00 0.00 H new ATOM 0 HA HIS A 19 2.895 8.390 -12.961 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.443 10.168 -13.185 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.894 10.295 -14.160 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.705 10.038 -15.702 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.032 5.929 -16.371 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.276 7.996 -17.106 1.00 0.00 H new ATOM 293 N LYS A 20 3.729 10.598 -11.852 1.00 0.00 N ATOM 294 CA LYS A 20 4.350 11.669 -11.008 1.00 0.00 C ATOM 295 C LYS A 20 3.340 12.750 -10.514 1.00 0.00 C ATOM 296 O LYS A 20 2.571 13.332 -11.301 1.00 0.00 O ATOM 297 CB LYS A 20 5.505 12.378 -11.761 1.00 0.00 C ATOM 298 CG LYS A 20 5.066 13.254 -12.944 1.00 0.00 C ATOM 299 CD LYS A 20 6.222 14.024 -13.579 1.00 0.00 C ATOM 300 CE LYS A 20 7.070 13.173 -14.498 1.00 0.00 C ATOM 301 NZ LYS A 20 6.326 12.743 -15.710 1.00 0.00 N ATOM 0 H LYS A 20 4.280 10.353 -12.675 1.00 0.00 H new ATOM 0 HA LYS A 20 4.730 11.147 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.054 12.999 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.199 11.621 -12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.597 12.625 -13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.309 13.961 -12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.823 14.868 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.852 14.436 -12.791 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.955 13.735 -14.797 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.419 12.294 -13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.405 11.712 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.324 13.006 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.728 13.210 -16.548 1.00 0.00 H new ATOM 315 N LEU A 21 3.340 12.998 -9.226 1.00 0.00 N ATOM 316 CA LEU A 21 2.524 14.044 -8.649 1.00 0.00 C ATOM 317 C LEU A 21 3.378 15.052 -7.886 1.00 0.00 C ATOM 318 O LEU A 21 4.123 14.687 -6.972 1.00 0.00 O ATOM 319 CB LEU A 21 1.472 13.467 -7.710 1.00 0.00 C ATOM 320 CG LEU A 21 0.641 14.502 -6.946 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.255 15.294 -7.892 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.166 13.858 -5.836 1.00 0.00 C ATOM 0 H LEU A 21 3.903 12.483 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 21 2.025 14.552 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.796 12.839 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.969 12.819 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 21 1.336 15.201 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.833 16.021 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.361 15.815 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.934 14.613 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.743 14.622 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.844 13.118 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.508 13.370 -5.132 1.00 0.00 H new ATOM 334 N ARG A 22 3.274 16.309 -8.250 1.00 0.00 N ATOM 335 CA ARG A 22 3.986 17.349 -7.526 1.00 0.00 C ATOM 336 C ARG A 22 3.118 17.829 -6.391 1.00 0.00 C ATOM 337 O ARG A 22 2.029 18.353 -6.629 1.00 0.00 O ATOM 338 CB ARG A 22 4.352 18.585 -8.388 1.00 0.00 C ATOM 339 CG ARG A 22 5.346 18.382 -9.528 1.00 0.00 C ATOM 340 CD ARG A 22 4.743 17.640 -10.694 1.00 0.00 C ATOM 341 NE ARG A 22 5.640 17.598 -11.851 1.00 0.00 N ATOM 342 CZ ARG A 22 5.253 17.318 -13.101 1.00 0.00 C ATOM 343 NH1 ARG A 22 3.976 17.025 -13.357 1.00 0.00 N ATOM 344 NH2 ARG A 22 6.138 17.330 -14.086 1.00 0.00 N ATOM 0 H ARG A 22 2.711 16.639 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 22 4.919 16.899 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.430 18.983 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.754 19.350 -7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.708 19.352 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.210 17.831 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.501 16.622 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.806 18.118 -10.981 1.00 0.00 H new ATOM 0 HE ARG A 22 6.628 17.796 -11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.293 17.014 -12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.683 16.812 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.114 17.553 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.843 17.117 -15.039 1.00 0.00 H new ATOM 358 N GLN A 23 3.557 17.634 -5.185 1.00 0.00 N ATOM 359 CA GLN A 23 2.861 18.133 -4.044 1.00 0.00 C ATOM 360 C GLN A 23 3.719 19.173 -3.427 1.00 0.00 C ATOM 361 O GLN A 23 4.728 18.836 -2.818 1.00 0.00 O ATOM 362 CB GLN A 23 2.614 17.019 -3.061 1.00 0.00 C ATOM 363 CG GLN A 23 1.589 16.018 -3.514 1.00 0.00 C ATOM 364 CD GLN A 23 0.205 16.596 -3.478 1.00 0.00 C ATOM 365 OE1 GLN A 23 -0.302 17.166 -4.457 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.391 16.497 -2.343 1.00 0.00 N ATOM 0 H GLN A 23 4.412 17.122 -4.966 1.00 0.00 H new ATOM 0 HA GLN A 23 1.895 18.548 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.554 16.500 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.291 17.450 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.822 15.690 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.633 15.136 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.066 16.019 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.321 16.897 -2.219 1.00 0.00 H new ATOM 375 N GLY A 24 3.380 20.420 -3.639 1.00 0.00 N ATOM 376 CA GLY A 24 4.186 21.492 -3.132 1.00 0.00 C ATOM 377 C GLY A 24 5.492 21.541 -3.870 1.00 0.00 C ATOM 378 O GLY A 24 5.542 21.973 -5.023 1.00 0.00 O ATOM 0 H GLY A 24 2.553 20.713 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.659 22.440 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.365 21.351 -2.066 1.00 0.00 H new ATOM 382 N GLU A 25 6.531 21.045 -3.241 1.00 0.00 N ATOM 383 CA GLU A 25 7.836 20.994 -3.862 1.00 0.00 C ATOM 384 C GLU A 25 8.349 19.576 -3.946 1.00 0.00 C ATOM 385 O GLU A 25 9.476 19.328 -4.379 1.00 0.00 O ATOM 386 CB GLU A 25 8.822 21.868 -3.120 1.00 0.00 C ATOM 387 CG GLU A 25 8.499 23.335 -3.182 1.00 0.00 C ATOM 388 CD GLU A 25 9.413 24.140 -2.331 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.495 24.543 -2.807 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.062 24.398 -1.152 1.00 0.00 O ATOM 0 H GLU A 25 6.499 20.668 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 25 7.731 21.376 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.855 21.557 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.818 21.707 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.567 23.678 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.470 23.494 -2.861 1.00 0.00 H new ATOM 397 N ASN A 26 7.522 18.644 -3.582 1.00 0.00 N ATOM 398 CA ASN A 26 7.940 17.259 -3.565 1.00 0.00 C ATOM 399 C ASN A 26 7.319 16.575 -4.716 1.00 0.00 C ATOM 400 O ASN A 26 6.330 17.047 -5.280 1.00 0.00 O ATOM 401 CB ASN A 26 7.465 16.513 -2.309 1.00 0.00 C ATOM 402 CG ASN A 26 7.462 17.355 -1.085 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.441 17.436 -0.329 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.361 17.970 -0.887 1.00 0.00 N ATOM 0 H ASN A 26 6.557 18.807 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 26 9.030 17.250 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.458 16.133 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.108 15.649 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.251 18.569 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.591 17.862 -1.547 1.00 0.00 H new ATOM 411 N LEU A 27 7.842 15.468 -5.026 1.00 0.00 N ATOM 412 CA LEU A 27 7.326 14.645 -6.053 1.00 0.00 C ATOM 413 C LEU A 27 6.934 13.385 -5.342 1.00 0.00 C ATOM 414 O LEU A 27 7.789 12.677 -4.818 1.00 0.00 O ATOM 415 CB LEU A 27 8.412 14.402 -7.122 1.00 0.00 C ATOM 416 CG LEU A 27 7.972 13.855 -8.502 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.431 12.430 -8.420 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.942 14.785 -9.117 1.00 0.00 C ATOM 0 H LEU A 27 8.668 15.087 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 27 6.480 15.081 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.932 15.345 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.140 13.706 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 27 8.856 13.817 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.137 12.095 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.204 11.769 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.565 12.407 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.635 14.397 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.074 14.851 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.377 15.776 -9.244 1.00 0.00 H new ATOM 430 N ILE A 28 5.663 13.161 -5.218 1.00 0.00 N ATOM 431 CA ILE A 28 5.201 12.037 -4.475 1.00 0.00 C ATOM 432 C ILE A 28 4.263 11.246 -5.349 1.00 0.00 C ATOM 433 O ILE A 28 3.772 11.747 -6.358 1.00 0.00 O ATOM 434 CB ILE A 28 4.442 12.448 -3.165 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.791 13.887 -2.717 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.777 11.470 -2.043 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.137 14.310 -1.413 1.00 0.00 C ATOM 0 H ILE A 28 4.929 13.743 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 28 6.071 11.452 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 28 3.375 12.417 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.873 13.970 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.493 14.582 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.247 11.761 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.473 10.464 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.851 11.485 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.434 15.331 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.053 14.262 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.454 13.641 -0.613 1.00 0.00 H new ATOM 449 N LEU A 29 4.012 10.035 -4.962 1.00 0.00 N ATOM 450 CA LEU A 29 3.119 9.161 -5.680 1.00 0.00 C ATOM 451 C LEU A 29 1.699 9.258 -5.129 1.00 0.00 C ATOM 452 O LEU A 29 0.814 8.477 -5.471 1.00 0.00 O ATOM 453 CB LEU A 29 3.647 7.719 -5.653 1.00 0.00 C ATOM 454 CG LEU A 29 4.761 7.370 -6.675 1.00 0.00 C ATOM 455 CD1 LEU A 29 6.043 8.174 -6.465 1.00 0.00 C ATOM 456 CD2 LEU A 29 5.048 5.889 -6.649 1.00 0.00 C ATOM 0 H LEU A 29 4.423 9.614 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 29 3.080 9.480 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.026 7.513 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.807 7.045 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 29 4.384 7.649 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.782 7.883 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.826 9.237 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.437 7.976 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.831 5.657 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.377 5.600 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.143 5.338 -6.907 1.00 0.00 H new ATOM 468 N GLY A 30 1.486 10.231 -4.272 1.00 0.00 N ATOM 469 CA GLY A 30 0.195 10.481 -3.731 1.00 0.00 C ATOM 470 C GLY A 30 -0.116 9.700 -2.475 1.00 0.00 C ATOM 471 O GLY A 30 -0.735 10.222 -1.548 1.00 0.00 O ATOM 0 H GLY A 30 2.212 10.865 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.105 11.545 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.554 10.245 -4.486 1.00 0.00 H new ATOM 475 N PHE A 31 0.253 8.465 -2.453 1.00 0.00 N ATOM 476 CA PHE A 31 -0.053 7.630 -1.335 1.00 0.00 C ATOM 477 C PHE A 31 1.125 7.475 -0.350 1.00 0.00 C ATOM 478 O PHE A 31 2.235 7.935 -0.606 1.00 0.00 O ATOM 479 CB PHE A 31 -0.566 6.283 -1.828 1.00 0.00 C ATOM 480 CG PHE A 31 0.429 5.459 -2.568 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.613 5.638 -3.913 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.163 4.494 -1.919 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.513 4.876 -4.611 1.00 0.00 C ATOM 484 CE2 PHE A 31 2.065 3.723 -2.606 1.00 0.00 C ATOM 485 CZ PHE A 31 2.246 3.911 -3.959 1.00 0.00 C ATOM 0 H PHE A 31 0.771 8.005 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.839 8.121 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.922 5.712 -0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.426 6.454 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.040 6.392 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.028 4.342 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.647 5.033 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.635 2.967 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.957 3.306 -4.503 1.00 0.00 H new ATOM 495 N SER A 32 0.851 6.843 0.772 1.00 0.00 N ATOM 496 CA SER A 32 1.812 6.588 1.817 1.00 0.00 C ATOM 497 C SER A 32 1.652 5.156 2.312 1.00 0.00 C ATOM 498 O SER A 32 0.668 4.510 1.985 1.00 0.00 O ATOM 499 CB SER A 32 1.567 7.544 2.945 1.00 0.00 C ATOM 500 OG SER A 32 1.706 8.889 2.506 1.00 0.00 O ATOM 0 H SER A 32 -0.079 6.482 0.986 1.00 0.00 H new ATOM 0 HA SER A 32 2.824 6.724 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.566 7.390 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.270 7.346 3.754 1.00 0.00 H new ATOM 0 HG SER A 32 2.514 9.280 2.899 1.00 0.00 H new ATOM 506 N ILE A 33 2.579 4.676 3.140 1.00 0.00 N ATOM 507 CA ILE A 33 2.566 3.277 3.553 1.00 0.00 C ATOM 508 C ILE A 33 2.628 3.152 5.053 1.00 0.00 C ATOM 509 O ILE A 33 2.969 4.115 5.749 1.00 0.00 O ATOM 510 CB ILE A 33 3.760 2.488 2.963 1.00 0.00 C ATOM 511 CG1 ILE A 33 5.072 2.774 3.730 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.910 2.824 1.508 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.292 2.067 3.192 1.00 0.00 C ATOM 0 H ILE A 33 3.340 5.230 3.533 1.00 0.00 H new ATOM 0 HA ILE A 33 1.632 2.860 3.176 1.00 0.00 H new ATOM 0 HB ILE A 33 3.555 1.423 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.257 3.848 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.935 2.488 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.751 2.269 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.998 2.554 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.091 3.893 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.161 2.331 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.135 0.989 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.462 2.370 2.159 1.00 0.00 H new ATOM 525 N GLY A 34 2.360 1.959 5.536 1.00 0.00 N ATOM 526 CA GLY A 34 2.399 1.719 6.956 1.00 0.00 C ATOM 527 C GLY A 34 3.565 0.870 7.310 1.00 0.00 C ATOM 528 O GLY A 34 4.137 0.983 8.385 1.00 0.00 O ATOM 0 H GLY A 34 2.115 1.147 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.458 2.668 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.477 1.231 7.273 1.00 0.00 H new ATOM 532 N GLY A 35 3.975 0.066 6.376 1.00 0.00 N ATOM 533 CA GLY A 35 5.064 -0.801 6.611 1.00 0.00 C ATOM 534 C GLY A 35 4.710 -2.229 6.383 1.00 0.00 C ATOM 535 O GLY A 35 3.560 -2.546 6.248 1.00 0.00 O ATOM 0 H GLY A 35 3.563 0.000 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.892 -0.526 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.411 -0.675 7.636 1.00 0.00 H new ATOM 539 N GLY A 36 5.729 -3.067 6.284 1.00 0.00 N ATOM 540 CA GLY A 36 5.532 -4.468 6.090 1.00 0.00 C ATOM 541 C GLY A 36 6.072 -5.302 7.218 1.00 0.00 C ATOM 542 O GLY A 36 5.583 -5.234 8.323 1.00 0.00 O ATOM 0 H GLY A 36 6.707 -2.783 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.466 -4.667 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.013 -4.771 5.160 1.00 0.00 H new ATOM 546 N ILE A 37 7.140 -6.035 6.955 1.00 0.00 N ATOM 547 CA ILE A 37 7.672 -6.999 7.938 1.00 0.00 C ATOM 548 C ILE A 37 8.320 -6.327 9.129 1.00 0.00 C ATOM 549 O ILE A 37 8.370 -6.895 10.218 1.00 0.00 O ATOM 550 CB ILE A 37 8.657 -8.043 7.335 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.052 -7.432 7.025 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.054 -8.685 6.100 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.085 -6.348 5.997 1.00 0.00 C ATOM 0 H ILE A 37 7.662 -5.991 6.080 1.00 0.00 H new ATOM 0 HA ILE A 37 6.787 -7.538 8.275 1.00 0.00 H new ATOM 0 HB ILE A 37 8.817 -8.814 8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.467 -7.037 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.712 -8.235 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.754 -9.413 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.124 -9.187 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.850 -7.917 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.110 -6.001 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.709 -6.734 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.460 -5.517 6.324 1.00 0.00 H new ATOM 565 N ASP A 38 8.803 -5.114 8.911 1.00 0.00 N ATOM 566 CA ASP A 38 9.428 -4.317 9.964 1.00 0.00 C ATOM 567 C ASP A 38 8.391 -3.945 11.007 1.00 0.00 C ATOM 568 O ASP A 38 8.711 -3.663 12.148 1.00 0.00 O ATOM 569 CB ASP A 38 10.041 -3.046 9.348 1.00 0.00 C ATOM 570 CG ASP A 38 10.739 -2.129 10.346 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.961 -2.273 10.554 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.093 -1.215 10.877 1.00 0.00 O ATOM 0 H ASP A 38 8.775 -4.652 8.002 1.00 0.00 H new ATOM 0 HA ASP A 38 10.216 -4.898 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.758 -3.339 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.252 -2.484 8.848 1.00 0.00 H new ATOM 577 N GLN A 39 7.130 -4.017 10.617 1.00 0.00 N ATOM 578 CA GLN A 39 6.052 -3.594 11.485 1.00 0.00 C ATOM 579 C GLN A 39 5.495 -4.828 12.199 1.00 0.00 C ATOM 580 O GLN A 39 6.014 -5.939 12.002 1.00 0.00 O ATOM 581 CB GLN A 39 4.970 -2.900 10.647 1.00 0.00 C ATOM 582 CG GLN A 39 5.520 -2.126 9.510 1.00 0.00 C ATOM 583 CD GLN A 39 6.539 -1.097 9.904 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.552 -1.010 9.104 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.465 -0.474 10.955 1.00 0.00 N flip ATOM 0 H GLN A 39 6.831 -4.364 9.706 1.00 0.00 H new ATOM 0 HA GLN A 39 6.408 -2.884 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.277 -3.651 10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.395 -2.232 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.974 -2.817 8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.700 -1.629 8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.644 -0.577 11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.224 0.148 11.234 1.00 0.00 H new ATOM 594 N ASP A 40 4.471 -4.663 13.006 1.00 0.00 N ATOM 595 CA ASP A 40 3.901 -5.787 13.740 1.00 0.00 C ATOM 596 C ASP A 40 2.413 -5.742 13.571 1.00 0.00 C ATOM 597 O ASP A 40 1.791 -4.761 13.994 1.00 0.00 O ATOM 598 CB ASP A 40 4.182 -5.684 15.227 1.00 0.00 C ATOM 599 CG ASP A 40 4.164 -7.029 15.921 1.00 0.00 C ATOM 600 OD1 ASP A 40 5.221 -7.690 15.973 1.00 0.00 O ATOM 601 OD2 ASP A 40 3.105 -7.450 16.433 1.00 0.00 O ATOM 0 H ASP A 40 4.012 -3.768 13.175 1.00 0.00 H new ATOM 0 HA ASP A 40 4.342 -6.706 13.355 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.155 -5.216 15.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.440 -5.032 15.688 1.00 0.00 H new ATOM 606 N PRO A 41 1.799 -6.792 13.008 1.00 0.00 N ATOM 607 CA PRO A 41 0.352 -6.816 12.703 1.00 0.00 C ATOM 608 C PRO A 41 -0.542 -6.518 13.917 1.00 0.00 C ATOM 609 O PRO A 41 -1.672 -6.039 13.776 1.00 0.00 O ATOM 610 CB PRO A 41 0.111 -8.242 12.197 1.00 0.00 C ATOM 611 CG PRO A 41 1.314 -9.017 12.611 1.00 0.00 C ATOM 612 CD PRO A 41 2.447 -8.047 12.605 1.00 0.00 C ATOM 0 HA PRO A 41 0.094 -6.038 11.984 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.796 -8.664 12.629 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.014 -8.259 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.177 -9.451 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.503 -9.842 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.233 -8.339 13.301 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.907 -7.967 11.620 1.00 0.00 H new ATOM 620 N SER A 42 -0.009 -6.749 15.093 1.00 0.00 N ATOM 621 CA SER A 42 -0.729 -6.546 16.326 1.00 0.00 C ATOM 622 C SER A 42 -0.956 -5.038 16.589 1.00 0.00 C ATOM 623 O SER A 42 -1.949 -4.644 17.187 1.00 0.00 O ATOM 624 CB SER A 42 0.099 -7.129 17.445 1.00 0.00 C ATOM 625 OG SER A 42 0.708 -8.350 17.029 1.00 0.00 O ATOM 0 H SER A 42 0.945 -7.086 15.221 1.00 0.00 H new ATOM 0 HA SER A 42 -1.704 -7.030 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.867 -6.417 17.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.531 -7.308 18.317 1.00 0.00 H new ATOM 0 HG SER A 42 1.681 -8.276 17.116 1.00 0.00 H new ATOM 631 N GLN A 43 -0.051 -4.214 16.092 1.00 0.00 N ATOM 632 CA GLN A 43 -0.096 -2.778 16.350 1.00 0.00 C ATOM 633 C GLN A 43 -0.319 -2.009 15.064 1.00 0.00 C ATOM 634 O GLN A 43 -0.265 -0.781 15.031 1.00 0.00 O ATOM 635 CB GLN A 43 1.212 -2.345 17.036 1.00 0.00 C ATOM 636 CG GLN A 43 2.480 -2.610 16.247 1.00 0.00 C ATOM 637 CD GLN A 43 3.622 -3.080 17.125 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.314 -3.906 18.077 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.793 -2.782 16.867 1.00 0.00 N flip ATOM 0 H GLN A 43 0.728 -4.512 15.505 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.933 -2.556 17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.154 -1.278 17.250 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.287 -2.859 17.994 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.279 -3.362 15.484 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.777 -1.700 15.726 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.998 -2.129 16.111 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.554 -3.189 17.410 1.00 0.00 H new ATOM 648 N ASN A 44 -0.579 -2.734 14.016 1.00 0.00 N ATOM 649 CA ASN A 44 -0.749 -2.146 12.698 1.00 0.00 C ATOM 650 C ASN A 44 -2.199 -1.956 12.304 1.00 0.00 C ATOM 651 O ASN A 44 -3.049 -2.766 12.642 1.00 0.00 O ATOM 652 CB ASN A 44 -0.026 -2.951 11.665 1.00 0.00 C ATOM 653 CG ASN A 44 1.470 -2.729 11.651 1.00 0.00 C ATOM 654 OD1 ASN A 44 2.211 -3.628 11.326 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.932 -1.537 11.996 1.00 0.00 N ATOM 0 H ASN A 44 -0.681 -3.749 14.039 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.313 -1.148 12.751 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.225 -4.009 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.429 -2.708 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.936 -1.359 11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.284 -0.797 12.266 1.00 0.00 H new ATOM 662 N PRO A 45 -2.485 -0.882 11.535 1.00 0.00 N ATOM 663 CA PRO A 45 -3.853 -0.487 11.147 1.00 0.00 C ATOM 664 C PRO A 45 -4.507 -1.403 10.106 1.00 0.00 C ATOM 665 O PRO A 45 -5.668 -1.762 10.227 1.00 0.00 O ATOM 666 CB PRO A 45 -3.636 0.906 10.548 1.00 0.00 C ATOM 667 CG PRO A 45 -2.255 0.850 10.000 1.00 0.00 C ATOM 668 CD PRO A 45 -1.479 0.063 10.989 1.00 0.00 C ATOM 0 HA PRO A 45 -4.531 -0.534 11.999 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.366 1.124 9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.734 1.685 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.239 0.376 9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.839 1.850 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.646 -0.462 10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.059 0.698 11.769 1.00 0.00 H new ATOM 676 N PHE A 46 -3.777 -1.765 9.081 1.00 0.00 N ATOM 677 CA PHE A 46 -4.353 -2.558 8.018 1.00 0.00 C ATOM 678 C PHE A 46 -3.808 -3.959 8.054 1.00 0.00 C ATOM 679 O PHE A 46 -4.016 -4.751 7.149 1.00 0.00 O ATOM 680 CB PHE A 46 -4.116 -1.865 6.668 1.00 0.00 C ATOM 681 CG PHE A 46 -4.647 -0.457 6.673 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.004 -0.216 6.567 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.794 0.618 6.823 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.499 1.066 6.612 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.287 1.904 6.865 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.638 2.127 6.762 1.00 0.00 C ATOM 0 H PHE A 46 -2.793 -1.528 8.958 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.431 -2.638 8.159 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.049 -1.852 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.600 -2.435 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.685 -1.046 6.447 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.731 0.450 6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.562 1.239 6.530 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.610 2.738 6.979 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.024 3.135 6.799 1.00 0.00 H new ATOM 696 N SER A 47 -3.144 -4.263 9.139 1.00 0.00 N ATOM 697 CA SER A 47 -2.568 -5.559 9.335 1.00 0.00 C ATOM 698 C SER A 47 -3.191 -6.184 10.593 1.00 0.00 C ATOM 699 O SER A 47 -2.824 -7.267 11.017 1.00 0.00 O ATOM 700 CB SER A 47 -1.066 -5.404 9.515 1.00 0.00 C ATOM 701 OG SER A 47 -0.371 -6.612 9.249 1.00 0.00 O ATOM 0 H SER A 47 -2.990 -3.614 9.911 1.00 0.00 H new ATOM 0 HA SER A 47 -2.761 -6.203 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.700 -4.621 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.855 -5.081 10.534 1.00 0.00 H new ATOM 0 HG SER A 47 0.591 -6.471 9.374 1.00 0.00 H new ATOM 782 N LYS A 53 1.872 -9.833 6.625 1.00 0.00 N ATOM 783 CA LYS A 53 2.669 -8.613 6.476 1.00 0.00 C ATOM 784 C LYS A 53 2.892 -8.220 5.029 1.00 0.00 C ATOM 785 O LYS A 53 2.588 -8.973 4.094 1.00 0.00 O ATOM 786 CB LYS A 53 4.022 -8.767 7.174 1.00 0.00 C ATOM 787 CG LYS A 53 3.957 -8.795 8.691 1.00 0.00 C ATOM 788 CD LYS A 53 5.227 -9.391 9.265 1.00 0.00 C ATOM 789 CE LYS A 53 5.445 -8.998 10.704 1.00 0.00 C ATOM 790 NZ LYS A 53 6.656 -9.624 11.275 1.00 0.00 N ATOM 0 HA LYS A 53 2.093 -7.816 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.491 -9.688 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.669 -7.945 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.817 -7.784 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.096 -9.380 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.182 -10.478 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.080 -9.066 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.531 -7.914 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.575 -9.288 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.767 -9.326 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.564 -10.659 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.490 -9.328 10.729 1.00 0.00 H new ATOM 804 N GLY A 54 3.454 -7.058 4.865 1.00 0.00 N ATOM 805 CA GLY A 54 3.715 -6.512 3.567 1.00 0.00 C ATOM 806 C GLY A 54 3.432 -5.053 3.611 1.00 0.00 C ATOM 807 O GLY A 54 2.782 -4.612 4.507 1.00 0.00 O ATOM 0 H GLY A 54 3.746 -6.458 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.752 -6.690 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.090 -6.998 2.818 1.00 0.00 H new ATOM 811 N ILE A 55 3.959 -4.312 2.705 1.00 0.00 N ATOM 812 CA ILE A 55 3.763 -2.892 2.663 1.00 0.00 C ATOM 813 C ILE A 55 2.370 -2.569 2.170 1.00 0.00 C ATOM 814 O ILE A 55 1.972 -2.957 1.086 1.00 0.00 O ATOM 815 CB ILE A 55 4.822 -2.202 1.762 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.228 -2.436 2.322 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.535 -0.704 1.650 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.508 -1.723 3.604 1.00 0.00 C ATOM 0 H ILE A 55 4.550 -4.672 1.956 1.00 0.00 H new ATOM 0 HA ILE A 55 3.881 -2.508 3.676 1.00 0.00 H new ATOM 0 HB ILE A 55 4.767 -2.639 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.371 -3.505 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.959 -2.121 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.287 -0.236 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.547 -0.554 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.566 -0.253 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.525 -1.944 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.401 -0.649 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.803 -2.055 4.366 1.00 0.00 H new ATOM 830 N TYR A 56 1.630 -1.900 2.980 1.00 0.00 N ATOM 831 CA TYR A 56 0.320 -1.476 2.621 1.00 0.00 C ATOM 832 C TYR A 56 0.229 0.000 2.696 1.00 0.00 C ATOM 833 O TYR A 56 1.019 0.645 3.390 1.00 0.00 O ATOM 834 CB TYR A 56 -0.747 -2.138 3.487 1.00 0.00 C ATOM 835 CG TYR A 56 -0.287 -2.346 4.885 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.243 -1.313 5.802 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.162 -3.579 5.261 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.228 -1.528 7.066 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.634 -3.811 6.506 1.00 0.00 C ATOM 840 CZ TYR A 56 0.663 -2.781 7.418 1.00 0.00 C ATOM 841 OH TYR A 56 1.121 -2.989 8.666 1.00 0.00 O ATOM 0 H TYR A 56 1.917 -1.628 3.920 1.00 0.00 H new ATOM 0 HA TYR A 56 0.132 -1.788 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.645 -1.520 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.022 -3.098 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.584 -0.328 5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.140 -4.389 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.258 -0.720 7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.985 -4.794 6.782 1.00 0.00 H new ATOM 0 HH TYR A 56 1.391 -3.926 8.763 1.00 0.00 H new ATOM 851 N VAL A 57 -0.711 0.513 1.992 1.00 0.00 N ATOM 852 CA VAL A 57 -0.941 1.912 1.900 1.00 0.00 C ATOM 853 C VAL A 57 -1.789 2.395 3.065 1.00 0.00 C ATOM 854 O VAL A 57 -2.793 1.776 3.397 1.00 0.00 O ATOM 855 CB VAL A 57 -1.638 2.222 0.571 1.00 0.00 C ATOM 856 CG1 VAL A 57 -1.974 3.656 0.461 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.763 1.818 -0.575 1.00 0.00 C ATOM 0 H VAL A 57 -1.365 -0.046 1.444 1.00 0.00 H new ATOM 0 HA VAL A 57 0.015 2.434 1.940 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.566 1.652 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.467 3.842 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.642 3.937 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.061 4.249 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.268 2.042 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.177 2.368 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.560 0.749 -0.519 1.00 0.00 H new ATOM 867 N THR A 58 -1.368 3.464 3.683 1.00 0.00 N ATOM 868 CA THR A 58 -2.090 4.044 4.787 1.00 0.00 C ATOM 869 C THR A 58 -2.759 5.365 4.385 1.00 0.00 C ATOM 870 O THR A 58 -3.712 5.825 5.022 1.00 0.00 O ATOM 871 CB THR A 58 -1.137 4.268 5.962 1.00 0.00 C ATOM 872 OG1 THR A 58 0.041 4.956 5.488 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.741 2.936 6.588 1.00 0.00 C ATOM 0 H THR A 58 -0.512 3.961 3.436 1.00 0.00 H new ATOM 0 HA THR A 58 -2.878 3.352 5.084 1.00 0.00 H new ATOM 0 HB THR A 58 -1.637 4.870 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.656 5.105 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.063 3.114 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.633 2.424 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.244 2.317 5.842 1.00 0.00 H new ATOM 881 N ARG A 59 -2.281 5.959 3.316 1.00 0.00 N ATOM 882 CA ARG A 59 -2.803 7.226 2.856 1.00 0.00 C ATOM 883 C ARG A 59 -2.818 7.183 1.361 1.00 0.00 C ATOM 884 O ARG A 59 -1.911 6.647 0.793 1.00 0.00 O ATOM 885 CB ARG A 59 -1.825 8.279 3.256 1.00 0.00 C ATOM 886 CG ARG A 59 -2.335 9.697 3.341 1.00 0.00 C ATOM 887 CD ARG A 59 -1.241 10.612 3.885 1.00 0.00 C ATOM 888 NE ARG A 59 -0.866 10.256 5.273 1.00 0.00 N ATOM 889 CZ ARG A 59 0.383 10.223 5.775 1.00 0.00 C ATOM 890 NH1 ARG A 59 1.439 10.336 4.978 1.00 0.00 N ATOM 891 NH2 ARG A 59 0.563 10.024 7.074 1.00 0.00 N ATOM 0 H ARG A 59 -1.525 5.582 2.744 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.795 7.422 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.416 8.008 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.998 8.259 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.650 10.039 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.211 9.739 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.362 10.549 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.584 11.646 3.855 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.626 10.013 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.309 10.449 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.380 10.309 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.242 9.897 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.507 9.998 7.460 1.00 0.00 H new ATOM 905 N VAL A 60 -3.811 7.739 0.753 1.00 0.00 N ATOM 906 CA VAL A 60 -3.917 7.830 -0.694 1.00 0.00 C ATOM 907 C VAL A 60 -4.473 9.173 -1.012 1.00 0.00 C ATOM 908 O VAL A 60 -5.434 9.605 -0.384 1.00 0.00 O ATOM 909 CB VAL A 60 -4.813 6.715 -1.365 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.197 7.052 -2.775 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.147 5.377 -1.341 1.00 0.00 C ATOM 0 H VAL A 60 -4.599 8.158 1.246 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.919 7.676 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.722 6.673 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.812 6.251 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.761 7.984 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.297 7.166 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.796 4.639 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.204 5.430 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.955 5.085 -0.309 1.00 0.00 H new ATOM 921 N SER A 61 -3.847 9.831 -1.933 1.00 0.00 N ATOM 922 CA SER A 61 -4.242 11.108 -2.391 1.00 0.00 C ATOM 923 C SER A 61 -5.728 11.168 -2.750 1.00 0.00 C ATOM 924 O SER A 61 -6.219 10.342 -3.507 1.00 0.00 O ATOM 925 CB SER A 61 -3.372 11.470 -3.564 1.00 0.00 C ATOM 926 OG SER A 61 -2.189 12.092 -3.149 1.00 0.00 O ATOM 0 H SER A 61 -3.014 9.473 -2.400 1.00 0.00 H new ATOM 0 HA SER A 61 -4.110 11.834 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.132 10.571 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.919 12.134 -4.233 1.00 0.00 H new ATOM 0 HG SER A 61 -1.802 12.591 -3.898 1.00 0.00 H new ATOM 932 N GLU A 62 -6.415 12.143 -2.167 1.00 0.00 N ATOM 933 CA GLU A 62 -7.859 12.360 -2.354 1.00 0.00 C ATOM 934 C GLU A 62 -8.189 12.783 -3.786 1.00 0.00 C ATOM 935 O GLU A 62 -9.330 12.768 -4.194 1.00 0.00 O ATOM 936 CB GLU A 62 -8.364 13.442 -1.394 1.00 0.00 C ATOM 937 CG GLU A 62 -7.710 14.801 -1.618 1.00 0.00 C ATOM 938 CD GLU A 62 -8.338 15.898 -0.816 1.00 0.00 C ATOM 939 OE1 GLU A 62 -9.323 16.494 -1.291 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.856 16.198 0.299 1.00 0.00 O ATOM 0 H GLU A 62 -5.984 12.821 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.354 11.411 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.443 13.543 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.180 13.123 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.652 14.734 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.768 15.055 -2.676 1.00 0.00 H new ATOM 947 N GLY A 63 -7.196 13.198 -4.504 1.00 0.00 N ATOM 948 CA GLY A 63 -7.373 13.608 -5.855 1.00 0.00 C ATOM 949 C GLY A 63 -6.064 13.585 -6.548 1.00 0.00 C ATOM 950 O GLY A 63 -5.670 14.554 -7.213 1.00 0.00 O ATOM 0 H GLY A 63 -6.236 13.262 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.076 12.945 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.799 14.611 -5.890 1.00 0.00 H new ATOM 954 N GLY A 64 -5.360 12.503 -6.349 1.00 0.00 N ATOM 955 CA GLY A 64 -4.079 12.335 -6.940 1.00 0.00 C ATOM 956 C GLY A 64 -4.002 11.059 -7.738 1.00 0.00 C ATOM 957 O GLY A 64 -4.971 10.299 -7.772 1.00 0.00 O ATOM 0 H GLY A 64 -5.666 11.720 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.862 13.184 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.316 12.325 -6.161 1.00 0.00 H new ATOM 961 N PRO A 65 -2.811 10.731 -8.260 1.00 0.00 N ATOM 962 CA PRO A 65 -2.602 9.624 -9.217 1.00 0.00 C ATOM 963 C PRO A 65 -2.953 8.284 -8.616 1.00 0.00 C ATOM 964 O PRO A 65 -3.385 7.369 -9.303 1.00 0.00 O ATOM 965 CB PRO A 65 -1.097 9.678 -9.492 1.00 0.00 C ATOM 966 CG PRO A 65 -0.523 10.382 -8.319 1.00 0.00 C ATOM 967 CD PRO A 65 -1.556 11.370 -7.895 1.00 0.00 C ATOM 0 HA PRO A 65 -3.226 9.730 -10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.678 8.677 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.883 10.212 -10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.297 9.682 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.411 10.880 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.504 11.570 -6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.430 12.326 -8.404 1.00 0.00 H new ATOM 975 N ALA A 66 -2.791 8.208 -7.316 1.00 0.00 N ATOM 976 CA ALA A 66 -3.051 7.031 -6.565 1.00 0.00 C ATOM 977 C ALA A 66 -4.509 6.604 -6.716 1.00 0.00 C ATOM 978 O ALA A 66 -4.775 5.545 -7.277 1.00 0.00 O ATOM 979 CB ALA A 66 -2.645 7.253 -5.125 1.00 0.00 C ATOM 0 H ALA A 66 -2.466 8.991 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.453 6.205 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.844 6.350 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.581 7.486 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.217 8.083 -4.710 1.00 0.00 H new ATOM 985 N GLU A 67 -5.450 7.436 -6.292 1.00 0.00 N ATOM 986 CA GLU A 67 -6.866 7.084 -6.447 1.00 0.00 C ATOM 987 C GLU A 67 -7.302 7.122 -7.910 1.00 0.00 C ATOM 988 O GLU A 67 -8.183 6.360 -8.320 1.00 0.00 O ATOM 989 CB GLU A 67 -7.795 7.958 -5.620 1.00 0.00 C ATOM 990 CG GLU A 67 -7.753 9.445 -5.942 1.00 0.00 C ATOM 991 CD GLU A 67 -9.116 10.060 -5.778 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.705 9.943 -4.694 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.654 10.602 -6.759 1.00 0.00 O ATOM 0 H GLU A 67 -5.273 8.337 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.949 6.064 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.817 7.603 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.549 7.825 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.041 9.945 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.402 9.592 -6.963 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.680 8.006 -8.686 1.00 0.00 N ATOM 1001 CA ILE A 68 -6.974 8.134 -10.104 1.00 0.00 C ATOM 1002 C ILE A 68 -6.710 6.818 -10.833 1.00 0.00 C ATOM 1003 O ILE A 68 -7.499 6.397 -11.691 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.185 9.321 -10.741 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.736 10.676 -10.243 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.142 9.267 -12.270 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.213 10.914 -10.527 1.00 0.00 C ATOM 0 H ILE A 68 -5.963 8.648 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.034 8.362 -10.212 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.152 9.220 -10.408 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.573 10.744 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.159 11.477 -10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.579 10.120 -12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.659 8.343 -12.588 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.158 9.299 -12.664 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.505 11.890 -10.140 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.386 10.883 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.806 10.139 -10.042 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.631 6.166 -10.485 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.333 4.882 -11.044 1.00 0.00 C ATOM 1021 C ALA A 69 -6.187 3.802 -10.391 1.00 0.00 C ATOM 1022 O ALA A 69 -6.736 2.933 -11.079 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.876 4.570 -10.894 1.00 0.00 C ATOM 0 H ALA A 69 -4.944 6.509 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.570 4.905 -12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.667 3.590 -11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.287 5.327 -11.412 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.612 4.565 -9.836 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.304 3.852 -9.077 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.123 2.887 -8.392 1.00 0.00 C ATOM 1031 C GLY A 70 -6.466 2.314 -7.167 1.00 0.00 C ATOM 1032 O GLY A 70 -6.727 1.185 -6.802 1.00 0.00 O ATOM 0 H GLY A 70 -5.849 4.540 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.064 3.357 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.368 2.076 -9.078 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.586 3.071 -6.567 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.945 2.672 -5.335 1.00 0.00 C ATOM 1038 C LEU A 71 -5.762 3.138 -4.165 1.00 0.00 C ATOM 1039 O LEU A 71 -6.084 4.319 -4.060 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.506 3.224 -5.272 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.684 2.987 -3.990 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.947 1.587 -3.455 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.251 3.009 -4.386 1.00 0.00 C ATOM 0 H LEU A 71 -5.291 3.983 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.882 1.584 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.950 2.796 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.556 4.300 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.942 3.738 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.362 1.428 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.007 1.478 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.660 0.851 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.628 2.845 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.063 2.222 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.010 3.977 -4.826 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.138 2.210 -3.323 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.892 2.504 -2.148 1.00 0.00 C ATOM 1057 C GLN A 72 -6.048 2.302 -0.909 1.00 0.00 C ATOM 1058 O GLN A 72 -4.974 1.698 -0.935 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.152 1.629 -2.063 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.104 1.799 -3.226 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.616 3.212 -3.335 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.871 4.047 -3.990 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.643 3.558 -2.766 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.923 1.220 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.198 3.549 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.851 0.583 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.680 1.861 -1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.598 1.524 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.946 1.117 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.202 2.871 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.939 4.533 -2.797 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.509 2.856 0.145 1.00 0.00 N ATOM 1073 CA ILE A 73 -5.884 2.699 1.433 1.00 0.00 C ATOM 1074 C ILE A 73 -6.137 1.266 1.971 1.00 0.00 C ATOM 1075 O ILE A 73 -7.262 0.750 1.897 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.406 3.768 2.428 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.068 5.178 1.925 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -5.829 3.553 3.808 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.535 6.301 2.835 1.00 0.00 C ATOM 0 H ILE A 73 -7.343 3.443 0.156 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.809 2.843 1.325 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.489 3.667 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.988 5.256 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.515 5.316 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.212 4.316 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.116 2.567 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.742 3.620 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.254 7.261 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.619 6.255 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.068 6.194 3.814 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.085 0.639 2.488 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.177 -0.722 2.990 1.00 0.00 C ATOM 1093 C GLY A 74 -5.117 -1.748 1.871 1.00 0.00 C ATOM 1094 O GLY A 74 -5.470 -2.903 2.062 1.00 0.00 O ATOM 0 H GLY A 74 -4.158 1.056 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.364 -0.905 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.109 -0.842 3.542 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.619 -1.327 0.717 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.615 -2.167 -0.494 1.00 0.00 C ATOM 1100 C ASP A 75 -3.554 -3.251 -0.536 1.00 0.00 C ATOM 1101 O ASP A 75 -3.514 -3.997 -1.481 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.538 -1.316 -1.747 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.866 -1.185 -2.453 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.872 -1.781 -1.998 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.931 -0.492 -3.490 1.00 0.00 O ATOM 0 H ASP A 75 -4.207 -0.403 0.584 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.566 -2.697 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.173 -0.323 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.810 -1.752 -2.431 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.702 -3.321 0.492 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.622 -4.343 0.612 1.00 0.00 C ATOM 1112 C LYS A 76 -0.848 -4.595 -0.709 1.00 0.00 C ATOM 1113 O LYS A 76 -1.250 -5.415 -1.565 1.00 0.00 O ATOM 1114 CB LYS A 76 -2.150 -5.652 1.214 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.085 -6.727 1.341 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.625 -8.034 1.885 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.095 -7.913 3.320 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.606 -9.195 3.810 1.00 0.00 N ATOM 0 H LYS A 76 -2.731 -2.671 1.278 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.893 -3.920 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.569 -5.448 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.963 -6.027 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.637 -6.904 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.290 -6.368 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.454 -8.369 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.850 -8.798 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.271 -7.580 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.875 -7.155 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.923 -9.089 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.407 -9.498 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.852 -9.910 3.764 1.00 0.00 H new ATOM 1132 N ILE A 77 0.253 -3.925 -0.844 1.00 0.00 N ATOM 1133 CA ILE A 77 1.028 -3.955 -2.049 1.00 0.00 C ATOM 1134 C ILE A 77 1.943 -5.154 -2.030 1.00 0.00 C ATOM 1135 O ILE A 77 2.742 -5.312 -1.115 1.00 0.00 O ATOM 1136 CB ILE A 77 1.889 -2.716 -2.127 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.045 -1.490 -1.851 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.498 -2.627 -3.513 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.835 -0.373 -1.281 1.00 0.00 C ATOM 0 H ILE A 77 0.646 -3.333 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 77 0.352 -4.004 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 77 2.684 -2.769 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.574 -1.162 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.243 -1.753 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.122 -1.736 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.107 -3.511 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.703 -2.570 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.181 0.481 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.285 -0.689 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.620 -0.088 -1.981 1.00 0.00 H new ATOM 1151 N MET A 78 1.860 -5.966 -3.039 1.00 0.00 N ATOM 1152 CA MET A 78 2.639 -7.185 -3.079 1.00 0.00 C ATOM 1153 C MET A 78 3.690 -7.109 -4.170 1.00 0.00 C ATOM 1154 O MET A 78 4.623 -7.907 -4.213 1.00 0.00 O ATOM 1155 CB MET A 78 1.735 -8.402 -3.293 1.00 0.00 C ATOM 1156 CG MET A 78 0.695 -8.700 -2.185 1.00 0.00 C ATOM 1157 SD MET A 78 1.358 -9.408 -0.635 1.00 0.00 S ATOM 1158 CE MET A 78 1.998 -7.996 0.263 1.00 0.00 C ATOM 0 H MET A 78 1.262 -5.814 -3.851 1.00 0.00 H new ATOM 0 HA MET A 78 3.142 -7.298 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.201 -8.268 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.369 -9.281 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.174 -7.773 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.048 -9.388 -2.587 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.873 -8.159 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.057 -7.870 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.454 -7.099 -0.034 1.00 0.00 H new ATOM 1168 N GLN A 79 3.583 -6.102 -5.004 1.00 0.00 N ATOM 1169 CA GLN A 79 4.461 -5.951 -6.129 1.00 0.00 C ATOM 1170 C GLN A 79 4.509 -4.473 -6.556 1.00 0.00 C ATOM 1171 O GLN A 79 3.499 -3.851 -6.705 1.00 0.00 O ATOM 1172 CB GLN A 79 3.971 -6.931 -7.223 1.00 0.00 C ATOM 1173 CG GLN A 79 4.618 -6.887 -8.596 1.00 0.00 C ATOM 1174 CD GLN A 79 6.111 -6.753 -8.571 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.568 -5.566 -8.768 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 6.844 -7.706 -8.470 1.00 0.00 N flip ATOM 0 H GLN A 79 2.882 -5.366 -4.917 1.00 0.00 H new ATOM 0 HA GLN A 79 5.495 -6.207 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.091 -7.943 -6.836 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.902 -6.766 -7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.356 -7.796 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.199 -6.050 -9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.454 -8.635 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.854 -7.582 -8.541 1.00 0.00 H new ATOM 1185 N VAL A 80 5.706 -3.925 -6.663 1.00 0.00 N ATOM 1186 CA VAL A 80 5.943 -2.522 -7.049 1.00 0.00 C ATOM 1187 C VAL A 80 7.015 -2.473 -8.105 1.00 0.00 C ATOM 1188 O VAL A 80 8.073 -3.015 -7.902 1.00 0.00 O ATOM 1189 CB VAL A 80 6.460 -1.681 -5.820 1.00 0.00 C ATOM 1190 CG1 VAL A 80 7.110 -0.345 -6.225 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.352 -1.427 -4.841 1.00 0.00 C ATOM 0 H VAL A 80 6.566 -4.443 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 80 5.002 -2.109 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 80 7.235 -2.287 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.443 0.183 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.965 -0.538 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.382 0.267 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.734 -0.845 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.552 -0.873 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.964 -2.378 -4.476 1.00 0.00 H new ATOM 1201 N ASN A 81 6.692 -1.921 -9.248 1.00 0.00 N ATOM 1202 CA ASN A 81 7.663 -1.570 -10.305 1.00 0.00 C ATOM 1203 C ASN A 81 8.557 -2.769 -10.725 1.00 0.00 C ATOM 1204 O ASN A 81 9.703 -2.603 -11.138 1.00 0.00 O ATOM 1205 CB ASN A 81 8.527 -0.419 -9.784 1.00 0.00 C ATOM 1206 CG ASN A 81 9.105 0.469 -10.858 1.00 0.00 C ATOM 1207 OD1 ASN A 81 10.219 0.960 -10.719 1.00 0.00 O ATOM 1208 ND2 ASN A 81 8.332 0.740 -11.877 1.00 0.00 N ATOM 0 H ASN A 81 5.730 -1.690 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 81 7.113 -1.277 -11.199 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.927 0.192 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.345 -0.834 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.649 1.386 -12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.412 0.306 -11.949 1.00 0.00 H new ATOM 1215 N GLY A 82 8.005 -3.953 -10.631 1.00 0.00 N ATOM 1216 CA GLY A 82 8.722 -5.167 -10.964 1.00 0.00 C ATOM 1217 C GLY A 82 9.721 -5.638 -9.883 1.00 0.00 C ATOM 1218 O GLY A 82 10.447 -6.597 -10.095 1.00 0.00 O ATOM 0 H GLY A 82 7.045 -4.107 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.999 -5.963 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.263 -5.010 -11.897 1.00 0.00 H new ATOM 1222 N TRP A 83 9.736 -4.980 -8.734 1.00 0.00 N ATOM 1223 CA TRP A 83 10.758 -5.260 -7.696 1.00 0.00 C ATOM 1224 C TRP A 83 10.290 -6.196 -6.532 1.00 0.00 C ATOM 1225 O TRP A 83 11.119 -6.559 -5.691 1.00 0.00 O ATOM 1226 CB TRP A 83 11.341 -3.906 -7.158 1.00 0.00 C ATOM 1227 CG TRP A 83 10.852 -3.418 -5.804 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.570 -3.190 -5.419 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.666 -3.039 -4.686 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.532 -2.726 -4.138 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.798 -2.623 -3.666 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.041 -3.025 -4.440 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.244 -2.193 -2.434 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.488 -2.597 -3.204 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.589 -2.185 -2.215 1.00 0.00 C ATOM 0 H TRP A 83 9.066 -4.253 -8.483 1.00 0.00 H new ATOM 0 HA TRP A 83 11.542 -5.837 -8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.426 -4.003 -7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.124 -3.131 -7.893 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.702 -3.353 -6.041 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.686 -2.493 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.740 -3.342 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.551 -1.874 -1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.548 -2.580 -2.999 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.968 -1.854 -1.259 1.00 0.00 H new ATOM 1246 N ASP A 84 8.990 -6.629 -6.536 1.00 0.00 N ATOM 1247 CA ASP A 84 8.356 -7.415 -5.428 1.00 0.00 C ATOM 1248 C ASP A 84 8.190 -6.566 -4.175 1.00 0.00 C ATOM 1249 O ASP A 84 9.134 -5.957 -3.684 1.00 0.00 O ATOM 1250 CB ASP A 84 9.117 -8.692 -5.097 1.00 0.00 C ATOM 1251 CG ASP A 84 8.432 -9.547 -4.071 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.677 -9.360 -2.845 1.00 0.00 O ATOM 1253 OD2 ASP A 84 7.674 -10.441 -4.461 1.00 0.00 O ATOM 0 H ASP A 84 8.352 -6.442 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 84 7.372 -7.709 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.253 -9.272 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.111 -8.430 -4.735 1.00 0.00 H new ATOM 1258 N MET A 85 6.999 -6.519 -3.654 1.00 0.00 N ATOM 1259 CA MET A 85 6.738 -5.661 -2.514 1.00 0.00 C ATOM 1260 C MET A 85 6.179 -6.471 -1.362 1.00 0.00 C ATOM 1261 O MET A 85 5.964 -5.963 -0.257 1.00 0.00 O ATOM 1262 CB MET A 85 5.732 -4.613 -2.910 1.00 0.00 C ATOM 1263 CG MET A 85 5.720 -3.407 -2.030 1.00 0.00 C ATOM 1264 SD MET A 85 7.236 -2.481 -2.211 1.00 0.00 S ATOM 1265 CE MET A 85 6.793 -1.025 -1.347 1.00 0.00 C ATOM 0 H MET A 85 6.197 -7.053 -3.988 1.00 0.00 H new ATOM 0 HA MET A 85 7.671 -5.193 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.936 -4.299 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.738 -5.061 -2.906 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.869 -2.774 -2.283 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.595 -3.710 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.526 -0.244 -1.550 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.808 -0.693 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.769 -1.230 -0.277 1.00 0.00 H new ATOM 1275 N THR A 86 5.953 -7.734 -1.621 1.00 0.00 N ATOM 1276 CA THR A 86 5.360 -8.613 -0.631 1.00 0.00 C ATOM 1277 C THR A 86 6.291 -8.882 0.558 1.00 0.00 C ATOM 1278 O THR A 86 5.836 -9.327 1.619 1.00 0.00 O ATOM 1279 CB THR A 86 4.775 -9.925 -1.256 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.281 -10.827 -0.245 1.00 0.00 O ATOM 1281 CG2 THR A 86 5.788 -10.624 -2.113 1.00 0.00 C ATOM 0 H THR A 86 6.170 -8.183 -2.511 1.00 0.00 H new ATOM 0 HA THR A 86 4.506 -8.072 -0.224 1.00 0.00 H new ATOM 0 HB THR A 86 3.936 -9.623 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.328 -10.658 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.348 -11.530 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.097 -9.964 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.656 -10.887 -1.509 1.00 0.00 H new ATOM 1289 N MET A 87 7.560 -8.591 0.402 1.00 0.00 N ATOM 1290 CA MET A 87 8.498 -8.708 1.487 1.00 0.00 C ATOM 1291 C MET A 87 9.520 -7.588 1.353 1.00 0.00 C ATOM 1292 O MET A 87 10.429 -7.663 0.530 1.00 0.00 O ATOM 1293 CB MET A 87 9.184 -10.093 1.478 1.00 0.00 C ATOM 1294 CG MET A 87 9.928 -10.479 2.770 1.00 0.00 C ATOM 1295 SD MET A 87 11.298 -9.387 3.217 1.00 0.00 S ATOM 1296 CE MET A 87 11.855 -10.159 4.734 1.00 0.00 C ATOM 0 H MET A 87 7.968 -8.269 -0.476 1.00 0.00 H new ATOM 0 HA MET A 87 7.977 -8.619 2.440 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.427 -10.851 1.276 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.893 -10.121 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.213 -10.495 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.312 -11.493 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.677 -9.581 5.156 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.032 -10.194 5.448 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.195 -11.173 4.523 1.00 0.00 H new ATOM 1306 N VAL A 88 9.315 -6.522 2.103 1.00 0.00 N ATOM 1307 CA VAL A 88 10.226 -5.394 2.111 1.00 0.00 C ATOM 1308 C VAL A 88 9.948 -4.525 3.336 1.00 0.00 C ATOM 1309 O VAL A 88 8.794 -4.468 3.835 1.00 0.00 O ATOM 1310 CB VAL A 88 10.129 -4.556 0.799 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.738 -3.992 0.599 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.168 -3.455 0.789 1.00 0.00 C ATOM 0 H VAL A 88 8.513 -6.414 2.723 1.00 0.00 H new ATOM 0 HA VAL A 88 11.245 -5.777 2.163 1.00 0.00 H new ATOM 0 HB VAL A 88 10.331 -5.225 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.709 -3.414 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.019 -4.809 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.483 -3.346 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.083 -2.883 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.007 -2.795 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.164 -3.894 0.853 1.00 0.00 H new ATOM 1322 N THR A 89 10.990 -3.926 3.875 1.00 0.00 N ATOM 1323 CA THR A 89 10.881 -3.081 5.022 1.00 0.00 C ATOM 1324 C THR A 89 10.247 -1.781 4.654 1.00 0.00 C ATOM 1325 O THR A 89 10.298 -1.372 3.503 1.00 0.00 O ATOM 1326 CB THR A 89 12.259 -2.814 5.659 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.233 -2.619 4.629 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.674 -3.942 6.573 1.00 0.00 C ATOM 0 H THR A 89 11.941 -4.020 3.518 1.00 0.00 H new ATOM 0 HA THR A 89 10.257 -3.599 5.750 1.00 0.00 H new ATOM 0 HB THR A 89 12.188 -1.912 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.012 -3.187 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.650 -3.720 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.940 -4.052 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.732 -4.869 6.003 1.00 0.00 H new ATOM 1336 N HIS A 90 9.645 -1.145 5.633 1.00 0.00 N ATOM 1337 CA HIS A 90 9.032 0.164 5.463 1.00 0.00 C ATOM 1338 C HIS A 90 10.050 1.125 4.869 1.00 0.00 C ATOM 1339 O HIS A 90 9.765 1.810 3.912 1.00 0.00 O ATOM 1340 CB HIS A 90 8.557 0.686 6.833 1.00 0.00 C ATOM 1341 CG HIS A 90 7.827 2.007 6.826 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.492 2.138 7.108 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.266 3.256 6.548 1.00 0.00 C ATOM 1344 CE1 HIS A 90 6.155 3.411 6.976 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.197 4.149 6.644 1.00 0.00 N ATOM 0 H HIS A 90 9.563 -1.519 6.578 1.00 0.00 H new ATOM 0 HA HIS A 90 8.177 0.086 4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.903 -0.064 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.426 0.778 7.485 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.282 3.520 6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.156 3.796 7.121 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.217 5.157 6.490 1.00 0.00 H new ATOM 1353 N ASP A 91 11.243 1.093 5.411 1.00 0.00 N ATOM 1354 CA ASP A 91 12.310 2.012 5.025 1.00 0.00 C ATOM 1355 C ASP A 91 12.715 1.812 3.580 1.00 0.00 C ATOM 1356 O ASP A 91 12.900 2.777 2.834 1.00 0.00 O ATOM 1357 CB ASP A 91 13.512 1.798 5.910 1.00 0.00 C ATOM 1358 CG ASP A 91 14.518 2.932 5.812 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.385 3.939 6.552 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.467 2.847 5.007 1.00 0.00 O ATOM 0 H ASP A 91 11.512 0.429 6.137 1.00 0.00 H new ATOM 0 HA ASP A 91 11.934 3.029 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.184 1.697 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.998 0.861 5.637 1.00 0.00 H new ATOM 1365 N GLN A 92 12.822 0.554 3.175 1.00 0.00 N ATOM 1366 CA GLN A 92 13.209 0.236 1.813 1.00 0.00 C ATOM 1367 C GLN A 92 12.073 0.482 0.837 1.00 0.00 C ATOM 1368 O GLN A 92 12.293 0.886 -0.312 1.00 0.00 O ATOM 1369 CB GLN A 92 13.760 -1.194 1.701 1.00 0.00 C ATOM 1370 CG GLN A 92 15.294 -1.263 1.723 1.00 0.00 C ATOM 1371 CD GLN A 92 15.952 -0.716 2.997 1.00 0.00 C ATOM 1372 OE1 GLN A 92 17.042 -0.143 2.941 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.369 -0.953 4.139 1.00 0.00 N ATOM 0 H GLN A 92 12.647 -0.257 3.768 1.00 0.00 H new ATOM 0 HA GLN A 92 14.018 0.913 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.366 -1.792 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.397 -1.643 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.597 -2.302 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.679 -0.709 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.467 -1.429 4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.815 -0.663 5.009 1.00 0.00 H new ATOM 1382 N ALA A 93 10.875 0.279 1.312 1.00 0.00 N ATOM 1383 CA ALA A 93 9.673 0.487 0.549 1.00 0.00 C ATOM 1384 C ALA A 93 9.447 1.956 0.280 1.00 0.00 C ATOM 1385 O ALA A 93 9.080 2.353 -0.832 1.00 0.00 O ATOM 1386 CB ALA A 93 8.528 -0.056 1.326 1.00 0.00 C ATOM 0 H ALA A 93 10.702 -0.044 2.264 1.00 0.00 H new ATOM 0 HA ALA A 93 9.766 -0.021 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.605 0.091 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.680 -1.121 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.458 0.463 2.282 1.00 0.00 H new ATOM 1392 N ARG A 94 9.655 2.761 1.310 1.00 0.00 N ATOM 1393 CA ARG A 94 9.523 4.209 1.226 1.00 0.00 C ATOM 1394 C ARG A 94 10.416 4.749 0.123 1.00 0.00 C ATOM 1395 O ARG A 94 9.989 5.525 -0.720 1.00 0.00 O ATOM 1396 CB ARG A 94 9.878 4.845 2.570 1.00 0.00 C ATOM 1397 CG ARG A 94 8.823 4.695 3.633 1.00 0.00 C ATOM 1398 CD ARG A 94 7.624 5.584 3.391 1.00 0.00 C ATOM 1399 NE ARG A 94 7.945 7.002 3.605 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.106 7.936 4.091 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.901 7.589 4.550 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.504 9.200 4.162 1.00 0.00 N ATOM 0 H ARG A 94 9.922 2.426 2.236 1.00 0.00 H new ATOM 0 HA ARG A 94 8.490 4.461 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.806 4.402 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.070 5.907 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.498 3.655 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.256 4.931 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.266 5.442 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.813 5.290 4.057 1.00 0.00 H new ATOM 0 HE ARG A 94 8.888 7.306 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.611 6.611 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.270 8.302 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.440 9.458 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.874 9.913 4.529 1.00 0.00 H new ATOM 1416 N LYS A 95 11.585 4.193 0.041 1.00 0.00 N ATOM 1417 CA LYS A 95 12.589 4.584 -0.929 1.00 0.00 C ATOM 1418 C LYS A 95 12.315 3.912 -2.267 1.00 0.00 C ATOM 1419 O LYS A 95 13.224 3.653 -3.048 1.00 0.00 O ATOM 1420 CB LYS A 95 13.983 4.211 -0.417 1.00 0.00 C ATOM 1421 CG LYS A 95 14.395 4.974 0.825 1.00 0.00 C ATOM 1422 CD LYS A 95 15.772 4.561 1.308 1.00 0.00 C ATOM 1423 CE LYS A 95 16.201 5.387 2.507 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.287 5.225 3.660 1.00 0.00 N ATOM 0 H LYS A 95 11.885 3.436 0.656 1.00 0.00 H new ATOM 0 HA LYS A 95 12.546 5.664 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.009 3.143 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.712 4.395 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.389 6.043 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.665 4.802 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.766 3.504 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.495 4.682 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.209 5.097 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.242 6.439 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.676 5.726 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.355 5.620 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.188 4.214 3.885 1.00 0.00 H new ATOM 1438 N ARG A 96 11.060 3.650 -2.529 1.00 0.00 N ATOM 1439 CA ARG A 96 10.652 3.076 -3.768 1.00 0.00 C ATOM 1440 C ARG A 96 9.344 3.682 -4.211 1.00 0.00 C ATOM 1441 O ARG A 96 9.180 4.017 -5.368 1.00 0.00 O ATOM 1442 CB ARG A 96 10.553 1.546 -3.709 1.00 0.00 C ATOM 1443 CG ARG A 96 10.371 0.901 -5.078 1.00 0.00 C ATOM 1444 CD ARG A 96 11.615 1.094 -5.933 1.00 0.00 C ATOM 1445 NE ARG A 96 11.439 0.641 -7.315 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.281 -0.185 -7.961 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.284 -0.771 -7.310 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.109 -0.416 -9.256 1.00 0.00 N ATOM 0 H ARG A 96 10.295 3.833 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 96 11.424 3.306 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.455 1.148 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.716 1.267 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.166 -0.163 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.508 1.338 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.887 2.150 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.446 0.551 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 96 10.620 0.976 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.418 -0.595 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.918 -1.396 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.341 0.032 -9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.744 -1.042 -9.751 1.00 0.00 H new ATOM 1462 N LEU A 97 8.428 3.831 -3.289 1.00 0.00 N ATOM 1463 CA LEU A 97 7.124 4.389 -3.631 1.00 0.00 C ATOM 1464 C LEU A 97 6.945 5.847 -3.262 1.00 0.00 C ATOM 1465 O LEU A 97 6.048 6.498 -3.732 1.00 0.00 O ATOM 1466 CB LEU A 97 6.027 3.533 -3.072 1.00 0.00 C ATOM 1467 CG LEU A 97 6.228 3.024 -1.660 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.170 4.136 -0.619 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.226 1.989 -1.379 1.00 0.00 C ATOM 0 H LEU A 97 8.547 3.581 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 97 7.068 4.377 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.099 4.104 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.894 2.674 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 97 7.230 2.601 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.320 3.713 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.952 4.867 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.196 4.624 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.363 1.616 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.227 2.413 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.343 1.168 -2.086 1.00 0.00 H new ATOM 1481 N THR A 98 7.728 6.332 -2.365 1.00 0.00 N ATOM 1482 CA THR A 98 7.665 7.752 -2.100 1.00 0.00 C ATOM 1483 C THR A 98 8.980 8.409 -2.475 1.00 0.00 C ATOM 1484 O THR A 98 9.230 9.579 -2.136 1.00 0.00 O ATOM 1485 CB THR A 98 7.191 8.112 -0.641 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.059 9.533 -0.477 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.143 7.601 0.392 1.00 0.00 C ATOM 0 H THR A 98 8.402 5.802 -1.812 1.00 0.00 H new ATOM 0 HA THR A 98 6.882 8.164 -2.737 1.00 0.00 H new ATOM 0 HB THR A 98 6.222 7.632 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.787 9.986 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.781 7.869 1.385 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.217 6.516 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.126 8.044 0.232 1.00 0.00 H new ATOM 1495 N LYS A 99 9.839 7.652 -3.188 1.00 0.00 N ATOM 1496 CA LYS A 99 11.035 8.237 -3.740 1.00 0.00 C ATOM 1497 C LYS A 99 10.624 9.308 -4.754 1.00 0.00 C ATOM 1498 O LYS A 99 9.661 9.135 -5.491 1.00 0.00 O ATOM 1499 CB LYS A 99 11.955 7.197 -4.410 1.00 0.00 C ATOM 1500 CG LYS A 99 11.320 6.442 -5.570 1.00 0.00 C ATOM 1501 CD LYS A 99 12.366 5.848 -6.522 1.00 0.00 C ATOM 1502 CE LYS A 99 13.342 4.920 -5.828 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.350 4.368 -6.761 1.00 0.00 N ATOM 0 H LYS A 99 9.714 6.658 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 99 11.609 8.673 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.851 7.703 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.276 6.477 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.692 5.641 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.668 7.116 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.857 5.302 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.919 6.659 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.848 5.460 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.794 4.101 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.996 3.739 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.871 3.830 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.892 5.147 -7.186 1.00 0.00 H new ATOM 1517 N ARG A 100 11.364 10.370 -4.814 1.00 0.00 N ATOM 1518 CA ARG A 100 10.978 11.501 -5.655 1.00 0.00 C ATOM 1519 C ARG A 100 11.802 11.524 -6.918 1.00 0.00 C ATOM 1520 O ARG A 100 11.727 12.447 -7.723 1.00 0.00 O ATOM 1521 CB ARG A 100 11.107 12.813 -4.882 1.00 0.00 C ATOM 1522 CG ARG A 100 12.483 13.059 -4.304 1.00 0.00 C ATOM 1523 CD ARG A 100 12.545 14.394 -3.578 1.00 0.00 C ATOM 1524 NE ARG A 100 11.641 14.429 -2.408 1.00 0.00 N ATOM 1525 CZ ARG A 100 11.069 15.537 -1.886 1.00 0.00 C ATOM 1526 NH1 ARG A 100 11.267 16.733 -2.437 1.00 0.00 N ATOM 1527 NH2 ARG A 100 10.301 15.436 -0.806 1.00 0.00 N ATOM 0 H ARG A 100 12.237 10.495 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 100 9.932 11.384 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.851 13.639 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.378 12.817 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.739 12.255 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.224 13.042 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.568 14.583 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.277 15.195 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 100 11.431 13.539 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.857 16.822 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.829 17.560 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.145 14.525 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.867 16.269 -0.409 1.00 0.00 H new ATOM 1541 N SER A 101 12.568 10.491 -7.077 1.00 0.00 N ATOM 1542 CA SER A 101 13.429 10.326 -8.204 1.00 0.00 C ATOM 1543 C SER A 101 12.666 9.717 -9.388 1.00 0.00 C ATOM 1544 O SER A 101 12.858 10.111 -10.538 1.00 0.00 O ATOM 1545 CB SER A 101 14.574 9.439 -7.765 1.00 0.00 C ATOM 1546 OG SER A 101 15.274 10.046 -6.685 1.00 0.00 O ATOM 0 H SER A 101 12.613 9.721 -6.410 1.00 0.00 H new ATOM 0 HA SER A 101 13.810 11.288 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.193 8.464 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.254 9.269 -8.600 1.00 0.00 H new ATOM 0 HG SER A 101 16.012 9.465 -6.406 1.00 0.00 H new ATOM 1552 N GLU A 102 11.758 8.818 -9.082 1.00 0.00 N ATOM 1553 CA GLU A 102 10.972 8.126 -10.096 1.00 0.00 C ATOM 1554 C GLU A 102 9.661 8.890 -10.321 1.00 0.00 C ATOM 1555 O GLU A 102 9.340 9.803 -9.558 1.00 0.00 O ATOM 1556 CB GLU A 102 10.731 6.657 -9.660 1.00 0.00 C ATOM 1557 CG GLU A 102 9.942 5.788 -10.647 1.00 0.00 C ATOM 1558 CD GLU A 102 10.525 5.795 -12.042 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.400 4.974 -12.336 1.00 0.00 O ATOM 1560 OE2 GLU A 102 10.107 6.641 -12.866 1.00 0.00 O ATOM 0 H GLU A 102 11.538 8.541 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 102 11.510 8.097 -11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.699 6.187 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.202 6.663 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.913 4.763 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.911 6.141 -10.689 1.00 0.00 H new ATOM 1567 N GLU A 103 8.963 8.582 -11.392 1.00 0.00 N ATOM 1568 CA GLU A 103 7.721 9.230 -11.705 1.00 0.00 C ATOM 1569 C GLU A 103 6.535 8.262 -11.744 1.00 0.00 C ATOM 1570 O GLU A 103 5.616 8.373 -10.955 1.00 0.00 O ATOM 1571 CB GLU A 103 7.831 10.033 -13.008 1.00 0.00 C ATOM 1572 CG GLU A 103 8.381 9.303 -14.218 1.00 0.00 C ATOM 1573 CD GLU A 103 8.381 10.185 -15.422 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.303 10.992 -15.579 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.410 10.129 -16.212 1.00 0.00 O ATOM 0 H GLU A 103 9.247 7.873 -12.068 1.00 0.00 H new ATOM 0 HA GLU A 103 7.519 9.925 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.839 10.409 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.462 10.901 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.396 8.964 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.781 8.414 -14.414 1.00 0.00 H new ATOM 1582 N VAL A 104 6.573 7.335 -12.659 1.00 0.00 N ATOM 1583 CA VAL A 104 5.507 6.412 -12.859 1.00 0.00 C ATOM 1584 C VAL A 104 5.949 4.960 -12.703 1.00 0.00 C ATOM 1585 O VAL A 104 6.966 4.522 -13.270 1.00 0.00 O ATOM 1586 CB VAL A 104 4.751 6.675 -14.200 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.665 6.797 -15.383 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.695 5.643 -14.460 1.00 0.00 C ATOM 0 H VAL A 104 7.361 7.203 -13.294 1.00 0.00 H new ATOM 0 HA VAL A 104 4.788 6.587 -12.059 1.00 0.00 H new ATOM 0 HB VAL A 104 4.266 7.642 -14.071 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.075 6.979 -16.281 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.354 7.627 -15.227 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.231 5.873 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.194 5.864 -15.403 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.156 4.657 -14.517 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.966 5.656 -13.650 1.00 0.00 H new ATOM 1598 N VAL A 105 5.181 4.237 -11.922 1.00 0.00 N ATOM 1599 CA VAL A 105 5.455 2.865 -11.547 1.00 0.00 C ATOM 1600 C VAL A 105 4.182 2.000 -11.678 1.00 0.00 C ATOM 1601 O VAL A 105 3.087 2.526 -11.865 1.00 0.00 O ATOM 1602 CB VAL A 105 5.960 2.810 -10.079 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.360 3.392 -9.957 1.00 0.00 C ATOM 1604 CG2 VAL A 105 5.025 3.601 -9.199 1.00 0.00 C ATOM 0 H VAL A 105 4.318 4.598 -11.515 1.00 0.00 H new ATOM 0 HA VAL A 105 6.221 2.473 -12.216 1.00 0.00 H new ATOM 0 HB VAL A 105 5.987 1.766 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.686 3.340 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.047 2.822 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.351 4.432 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.377 3.564 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.997 4.637 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.024 3.174 -9.256 1.00 0.00 H new ATOM 1614 N ARG A 106 4.335 0.692 -11.525 1.00 0.00 N ATOM 1615 CA ARG A 106 3.223 -0.273 -11.635 1.00 0.00 C ATOM 1616 C ARG A 106 3.170 -1.034 -10.369 1.00 0.00 C ATOM 1617 O ARG A 106 4.122 -1.740 -10.047 1.00 0.00 O ATOM 1618 CB ARG A 106 3.460 -1.271 -12.783 1.00 0.00 C ATOM 1619 CG ARG A 106 3.254 -0.696 -14.169 1.00 0.00 C ATOM 1620 CD ARG A 106 1.775 -0.574 -14.479 1.00 0.00 C ATOM 1621 NE ARG A 106 1.522 0.159 -15.715 1.00 0.00 N ATOM 1622 CZ ARG A 106 0.798 -0.260 -16.759 1.00 0.00 C ATOM 1623 NH1 ARG A 106 0.411 -1.531 -16.873 1.00 0.00 N ATOM 1624 NH2 ARG A 106 0.497 0.601 -17.706 1.00 0.00 N ATOM 0 H ARG A 106 5.234 0.257 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 106 2.298 0.268 -11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.478 -1.654 -12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.790 -2.121 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.728 0.283 -14.237 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.735 -1.335 -14.909 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.340 -1.570 -14.556 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.274 -0.070 -13.652 1.00 0.00 H new ATOM 0 HE ARG A 106 1.940 1.086 -15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.667 -2.208 -16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.141 -1.826 -17.679 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.815 1.568 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.054 0.302 -18.511 1.00 0.00 H new ATOM 1638 N LEU A 107 2.131 -0.894 -9.608 1.00 0.00 N ATOM 1639 CA LEU A 107 2.100 -1.561 -8.377 1.00 0.00 C ATOM 1640 C LEU A 107 0.963 -2.533 -8.411 1.00 0.00 C ATOM 1641 O LEU A 107 -0.019 -2.313 -9.100 1.00 0.00 O ATOM 1642 CB LEU A 107 1.930 -0.571 -7.207 1.00 0.00 C ATOM 1643 CG LEU A 107 2.723 0.767 -7.244 1.00 0.00 C ATOM 1644 CD1 LEU A 107 4.149 0.600 -7.656 1.00 0.00 C ATOM 1645 CD2 LEU A 107 2.017 1.851 -8.042 1.00 0.00 C ATOM 0 H LEU A 107 1.311 -0.328 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 107 3.044 -2.083 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.871 -0.326 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.203 -1.092 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 107 2.749 1.111 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.643 1.572 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.656 -0.061 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.191 0.167 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.618 2.760 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.883 1.516 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.043 2.055 -7.597 1.00 0.00 H new ATOM 1657 N LEU A 108 1.114 -3.597 -7.745 1.00 0.00 N ATOM 1658 CA LEU A 108 0.102 -4.573 -7.632 1.00 0.00 C ATOM 1659 C LEU A 108 -0.324 -4.678 -6.229 1.00 0.00 C ATOM 1660 O LEU A 108 0.492 -4.936 -5.320 1.00 0.00 O ATOM 1661 CB LEU A 108 0.522 -5.923 -8.176 1.00 0.00 C ATOM 1662 CG LEU A 108 0.086 -6.223 -9.606 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.842 -5.359 -10.600 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.241 -7.693 -9.945 1.00 0.00 C ATOM 0 H LEU A 108 1.971 -3.829 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.739 -4.250 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.609 -5.993 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.121 -6.698 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.974 -5.979 -9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.511 -5.594 -11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.648 -4.307 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.911 -5.555 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.080 -7.865 -10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.286 -7.983 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.372 -8.289 -9.269 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.568 -4.458 -6.041 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.146 -4.462 -4.735 1.00 0.00 C ATOM 1678 C VAL A 109 -3.167 -5.549 -4.623 1.00 0.00 C ATOM 1679 O VAL A 109 -3.802 -5.923 -5.615 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.766 -3.102 -4.349 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.708 -2.027 -4.262 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.862 -2.683 -5.306 1.00 0.00 C ATOM 0 H VAL A 109 -2.231 -4.267 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.335 -4.649 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.217 -3.230 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.173 -1.080 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.972 -2.301 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.215 -1.923 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.269 -1.721 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.452 -2.595 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.655 -3.431 -5.301 1.00 0.00 H new ATOM 1692 N THR A 110 -3.325 -6.056 -3.453 1.00 0.00 N ATOM 1693 CA THR A 110 -4.234 -7.115 -3.230 1.00 0.00 C ATOM 1694 C THR A 110 -5.442 -6.619 -2.472 1.00 0.00 C ATOM 1695 O THR A 110 -5.336 -6.075 -1.379 1.00 0.00 O ATOM 1696 CB THR A 110 -3.564 -8.311 -2.535 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.873 -7.890 -1.357 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.589 -8.987 -3.468 1.00 0.00 C ATOM 0 H THR A 110 -2.824 -5.744 -2.621 1.00 0.00 H new ATOM 0 HA THR A 110 -4.574 -7.480 -4.199 1.00 0.00 H new ATOM 0 HB THR A 110 -4.347 -9.016 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.263 -7.156 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.124 -9.831 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.118 -9.343 -4.352 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.819 -8.276 -3.768 1.00 0.00 H new