USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 70 LYS NZ :NH3+ 177:sc= 0.495 (180deg=0.468) USER MOD Set 1.2: A 73 MET CE :methyl -157:sc= -0.542 (180deg=-0.808) USER MOD Set 1.3: A 76 GLN : amide:sc= -2.98! K(o=-3!,f=-2.2) USER MOD Set 2.1: A 47 ASN : amide:sc= -2.85 K(o=-3.6,f=-11!) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.741 K(o=-3.6,f=-2.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 168:sc= 0 (180deg=-0.169) USER MOD Single : A 28 THR OG1 : rot 167:sc= -5.43! USER MOD Single : A 38 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.27) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 49 ASN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 12:sc= -0.265 USER MOD Single : A 61 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 75 SER OG : rot -84:sc= 1.01 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.332 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-5.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.279 -13.798 -1.660 1.00 0.00 N ATOM 112 CA LYS A 11 -3.727 -13.037 -0.552 1.00 0.00 C ATOM 113 C LYS A 11 -2.241 -13.367 -0.402 1.00 0.00 C ATOM 114 O LYS A 11 -1.777 -14.397 -0.889 1.00 0.00 O ATOM 115 CB LYS A 11 -4.541 -13.279 0.721 1.00 0.00 C ATOM 116 CG LYS A 11 -5.979 -12.782 0.555 1.00 0.00 C ATOM 117 CD LYS A 11 -6.771 -12.952 1.853 1.00 0.00 C ATOM 118 CE LYS A 11 -8.101 -12.199 1.786 1.00 0.00 C ATOM 119 NZ LYS A 11 -9.233 -13.151 1.721 1.00 0.00 N ATOM 0 HA LYS A 11 -3.798 -11.968 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.545 -14.343 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.070 -12.768 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.973 -11.732 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.468 -13.333 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.957 -14.011 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.182 -12.584 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.207 -11.558 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.114 -11.549 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.128 -12.623 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.138 -13.745 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.229 -13.754 2.568 1.00 0.00 H new ATOM 133 N PHE A 12 -1.534 -12.472 0.273 1.00 0.00 N ATOM 134 CA PHE A 12 -0.109 -12.655 0.492 1.00 0.00 C ATOM 135 C PHE A 12 0.297 -12.171 1.886 1.00 0.00 C ATOM 136 O PHE A 12 -0.331 -11.271 2.442 1.00 0.00 O ATOM 137 CB PHE A 12 0.617 -11.813 -0.559 1.00 0.00 C ATOM 138 CG PHE A 12 -0.066 -11.802 -1.928 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.196 -11.070 -2.119 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.457 -12.525 -2.954 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.830 -11.061 -3.390 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.176 -12.516 -4.225 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.307 -11.784 -4.416 1.00 0.00 C ATOM 0 H PHE A 12 -1.921 -11.618 0.675 1.00 0.00 H new ATOM 0 HA PHE A 12 0.147 -13.712 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.698 -10.788 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.633 -12.191 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.611 -10.495 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.354 -13.106 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.728 -10.480 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.240 -13.090 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.789 -11.777 -5.382 1.00 0.00 H new ATOM 153 N LYS A 13 1.346 -12.789 2.409 1.00 0.00 N ATOM 154 CA LYS A 13 1.843 -12.433 3.727 1.00 0.00 C ATOM 155 C LYS A 13 2.605 -11.109 3.639 1.00 0.00 C ATOM 156 O LYS A 13 3.157 -10.774 2.591 1.00 0.00 O ATOM 157 CB LYS A 13 2.668 -13.579 4.316 1.00 0.00 C ATOM 158 CG LYS A 13 1.780 -14.548 5.100 1.00 0.00 C ATOM 159 CD LYS A 13 2.562 -15.214 6.234 1.00 0.00 C ATOM 160 CE LYS A 13 1.664 -15.463 7.447 1.00 0.00 C ATOM 161 NZ LYS A 13 2.083 -14.615 8.585 1.00 0.00 N ATOM 0 H LYS A 13 1.865 -13.534 1.944 1.00 0.00 H new ATOM 0 HA LYS A 13 1.014 -12.279 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.177 -14.114 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.440 -13.176 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.924 -14.012 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.386 -15.311 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.980 -16.159 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.401 -14.581 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.627 -15.249 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.711 -16.514 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.463 -14.797 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.066 -14.839 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.015 -13.613 8.315 1.00 0.00 H new ATOM 175 N LEU A 14 2.612 -10.392 4.753 1.00 0.00 N ATOM 176 CA LEU A 14 3.297 -9.112 4.815 1.00 0.00 C ATOM 177 C LEU A 14 4.669 -9.303 5.463 1.00 0.00 C ATOM 178 O LEU A 14 4.885 -10.270 6.192 1.00 0.00 O ATOM 179 CB LEU A 14 2.424 -8.070 5.518 1.00 0.00 C ATOM 180 CG LEU A 14 1.376 -7.375 4.647 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.039 -7.793 5.053 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.556 -5.856 4.679 1.00 0.00 C ATOM 0 H LEU A 14 2.154 -10.673 5.620 1.00 0.00 H new ATOM 0 HA LEU A 14 3.470 -8.724 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.913 -8.555 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.076 -7.308 5.945 1.00 0.00 H new ATOM 0 HG LEU A 14 1.523 -7.695 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.765 -7.285 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.147 -8.871 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.214 -7.521 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.798 -5.387 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.451 -5.499 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.547 -5.599 4.305 1.00 0.00 H new ATOM 194 N SER A 15 5.561 -8.367 5.175 1.00 0.00 N ATOM 195 CA SER A 15 6.906 -8.421 5.721 1.00 0.00 C ATOM 196 C SER A 15 6.903 -7.927 7.169 1.00 0.00 C ATOM 197 O SER A 15 5.895 -7.411 7.651 1.00 0.00 O ATOM 198 CB SER A 15 7.876 -7.589 4.879 1.00 0.00 C ATOM 199 OG SER A 15 8.963 -8.370 4.391 1.00 0.00 O ATOM 0 H SER A 15 5.378 -7.566 4.570 1.00 0.00 H new ATOM 0 HA SER A 15 7.243 -9.457 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.340 -7.148 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.262 -6.765 5.479 1.00 0.00 H new ATOM 0 HG SER A 15 9.559 -7.804 3.857 1.00 0.00 H new ATOM 205 N THR A 16 8.042 -8.102 7.823 1.00 0.00 N ATOM 206 CA THR A 16 8.183 -7.681 9.206 1.00 0.00 C ATOM 207 C THR A 16 8.084 -6.158 9.313 1.00 0.00 C ATOM 208 O THR A 16 7.473 -5.636 10.244 1.00 0.00 O ATOM 209 CB THR A 16 9.503 -8.243 9.739 1.00 0.00 C ATOM 210 OG1 THR A 16 9.213 -9.612 10.009 1.00 0.00 O ATOM 211 CG2 THR A 16 9.876 -7.665 11.106 1.00 0.00 C ATOM 0 H THR A 16 8.876 -8.530 7.420 1.00 0.00 H new ATOM 0 HA THR A 16 7.374 -8.072 9.823 1.00 0.00 H new ATOM 0 HB THR A 16 10.301 -8.034 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.015 -10.054 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.820 -8.097 11.438 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.980 -6.583 11.027 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.094 -7.903 11.827 1.00 0.00 H new ATOM 219 N ALA A 17 8.695 -5.488 8.346 1.00 0.00 N ATOM 220 CA ALA A 17 8.683 -4.036 8.320 1.00 0.00 C ATOM 221 C ALA A 17 7.337 -3.551 7.778 1.00 0.00 C ATOM 222 O ALA A 17 6.726 -2.645 8.344 1.00 0.00 O ATOM 223 CB ALA A 17 9.863 -3.531 7.487 1.00 0.00 C ATOM 0 H ALA A 17 9.201 -5.924 7.575 1.00 0.00 H new ATOM 0 HA ALA A 17 8.798 -3.633 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.854 -2.441 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.796 -3.879 7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.780 -3.913 6.470 1.00 0.00 H new ATOM 229 N LEU A 18 6.914 -4.175 6.689 1.00 0.00 N ATOM 230 CA LEU A 18 5.651 -3.818 6.065 1.00 0.00 C ATOM 231 C LEU A 18 4.521 -3.978 7.083 1.00 0.00 C ATOM 232 O LEU A 18 3.593 -3.171 7.118 1.00 0.00 O ATOM 233 CB LEU A 18 5.441 -4.624 4.781 1.00 0.00 C ATOM 234 CG LEU A 18 4.572 -3.963 3.709 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.217 -2.674 3.197 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.265 -4.941 2.573 1.00 0.00 C ATOM 0 H LEU A 18 7.423 -4.926 6.222 1.00 0.00 H new ATOM 0 HA LEU A 18 5.659 -2.772 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.417 -4.840 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.992 -5.581 5.046 1.00 0.00 H new ATOM 0 HG LEU A 18 3.620 -3.687 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.579 -2.225 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.341 -1.976 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.191 -2.902 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.646 -4.446 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.197 -5.269 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.733 -5.805 2.971 1.00 0.00 H new ATOM 248 N MET A 19 4.635 -5.025 7.887 1.00 0.00 N ATOM 249 CA MET A 19 3.635 -5.301 8.903 1.00 0.00 C ATOM 250 C MET A 19 3.536 -4.147 9.903 1.00 0.00 C ATOM 251 O MET A 19 2.438 -3.738 10.278 1.00 0.00 O ATOM 252 CB MET A 19 4.000 -6.589 9.644 1.00 0.00 C ATOM 253 CG MET A 19 3.367 -7.808 8.970 1.00 0.00 C ATOM 254 SD MET A 19 4.419 -9.235 9.176 1.00 0.00 S ATOM 255 CE MET A 19 4.376 -9.398 10.953 1.00 0.00 C ATOM 0 H MET A 19 5.406 -5.693 7.855 1.00 0.00 H new ATOM 0 HA MET A 19 2.669 -5.416 8.412 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.084 -6.704 9.668 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.663 -6.525 10.679 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.386 -8.004 9.402 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.214 -7.609 7.909 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.803 -10.359 11.241 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.955 -8.593 11.406 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.344 -9.341 11.299 1.00 0.00 H new ATOM 265 N ASP A 20 4.698 -3.656 10.308 1.00 0.00 N ATOM 266 CA ASP A 20 4.756 -2.558 11.258 1.00 0.00 C ATOM 267 C ASP A 20 4.486 -1.242 10.525 1.00 0.00 C ATOM 268 O ASP A 20 4.142 -0.239 11.150 1.00 0.00 O ATOM 269 CB ASP A 20 6.138 -2.463 11.906 1.00 0.00 C ATOM 270 CG ASP A 20 6.136 -2.453 13.436 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.648 -1.448 13.996 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.621 -3.451 14.011 1.00 0.00 O ATOM 0 H ASP A 20 5.607 -3.998 9.996 1.00 0.00 H new ATOM 0 HA ASP A 20 4.008 -2.739 12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.742 -3.304 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.627 -1.555 11.552 1.00 0.00 H new ATOM 277 N VAL A 21 4.653 -1.287 9.212 1.00 0.00 N ATOM 278 CA VAL A 21 4.431 -0.111 8.388 1.00 0.00 C ATOM 279 C VAL A 21 2.939 0.224 8.376 1.00 0.00 C ATOM 280 O VAL A 21 2.561 1.394 8.414 1.00 0.00 O ATOM 281 CB VAL A 21 5.005 -0.337 6.988 1.00 0.00 C ATOM 282 CG1 VAL A 21 4.498 0.724 6.010 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.534 -0.367 7.020 1.00 0.00 C ATOM 0 H VAL A 21 4.940 -2.120 8.698 1.00 0.00 H new ATOM 0 HA VAL A 21 4.954 0.751 8.803 1.00 0.00 H new ATOM 0 HB VAL A 21 4.659 -1.309 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.921 0.540 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.410 0.677 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.801 1.712 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.916 -0.529 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.909 0.583 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.869 -1.176 7.669 1.00 0.00 H new ATOM 293 N LEU A 22 2.130 -0.824 8.322 1.00 0.00 N ATOM 294 CA LEU A 22 0.687 -0.656 8.304 1.00 0.00 C ATOM 295 C LEU A 22 0.094 -1.233 9.591 1.00 0.00 C ATOM 296 O LEU A 22 -0.538 -0.516 10.364 1.00 0.00 O ATOM 297 CB LEU A 22 0.093 -1.258 7.029 1.00 0.00 C ATOM 298 CG LEU A 22 0.920 -1.078 5.754 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.961 -2.373 4.940 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.406 0.102 4.928 1.00 0.00 C ATOM 0 H LEU A 22 2.447 -1.793 8.290 1.00 0.00 H new ATOM 0 HA LEU A 22 0.427 0.402 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.060 -2.325 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.890 -0.816 6.866 1.00 0.00 H new ATOM 0 HG LEU A 22 1.945 -0.846 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.555 -2.218 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.410 -3.165 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.053 -2.660 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.012 0.207 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.633 -0.075 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.472 1.016 5.519 1.00 0.00 H new ATOM 312 N GLY A 23 0.320 -2.525 9.780 1.00 0.00 N ATOM 313 CA GLY A 23 -0.184 -3.208 10.960 1.00 0.00 C ATOM 314 C GLY A 23 -1.125 -4.350 10.572 1.00 0.00 C ATOM 315 O GLY A 23 -2.081 -4.642 11.289 1.00 0.00 O ATOM 0 H GLY A 23 0.845 -3.117 9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.650 -3.601 11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.711 -2.499 11.598 1.00 0.00 H new ATOM 319 N ILE A 24 -0.821 -4.966 9.440 1.00 0.00 N ATOM 320 CA ILE A 24 -1.628 -6.070 8.948 1.00 0.00 C ATOM 321 C ILE A 24 -0.801 -7.357 8.987 1.00 0.00 C ATOM 322 O ILE A 24 0.281 -7.387 9.572 1.00 0.00 O ATOM 323 CB ILE A 24 -2.195 -5.746 7.565 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.334 -4.701 6.851 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.659 -5.314 7.660 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.769 -4.536 5.393 1.00 0.00 C ATOM 0 H ILE A 24 -0.027 -4.722 8.849 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.493 -6.226 9.593 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.166 -6.654 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.413 -3.745 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.286 -4.999 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.038 -5.090 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.248 -6.119 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.736 -4.425 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.141 -3.788 4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.666 -5.488 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.810 -4.214 5.358 1.00 0.00 H new ATOM 338 N GLU A 25 -1.342 -8.390 8.357 1.00 0.00 N ATOM 339 CA GLU A 25 -0.668 -9.676 8.313 1.00 0.00 C ATOM 340 C GLU A 25 -0.865 -10.331 6.945 1.00 0.00 C ATOM 341 O GLU A 25 0.081 -10.863 6.365 1.00 0.00 O ATOM 342 CB GLU A 25 -1.160 -10.592 9.435 1.00 0.00 C ATOM 343 CG GLU A 25 -0.134 -11.685 9.742 1.00 0.00 C ATOM 344 CD GLU A 25 -0.631 -12.607 10.856 1.00 0.00 C ATOM 345 OE1 GLU A 25 -1.823 -12.978 10.797 1.00 0.00 O ATOM 346 OE2 GLU A 25 0.193 -12.921 11.743 1.00 0.00 O ATOM 0 H GLU A 25 -2.239 -8.362 7.873 1.00 0.00 H new ATOM 0 HA GLU A 25 0.399 -9.511 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.349 -10.004 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.107 -11.048 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.061 -12.269 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.811 -11.229 10.037 1.00 0.00 H new ATOM 353 N VAL A 26 -2.099 -10.272 6.467 1.00 0.00 N ATOM 354 CA VAL A 26 -2.432 -10.853 5.178 1.00 0.00 C ATOM 355 C VAL A 26 -3.521 -10.011 4.509 1.00 0.00 C ATOM 356 O VAL A 26 -4.666 -10.002 4.957 1.00 0.00 O ATOM 357 CB VAL A 26 -2.833 -12.319 5.352 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.864 -13.043 4.005 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.901 -13.029 6.336 1.00 0.00 C ATOM 0 H VAL A 26 -2.881 -9.830 6.950 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.563 -10.843 4.520 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.840 -12.344 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.152 -14.083 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.587 -12.559 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.875 -13.004 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.208 -14.070 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.878 -12.989 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.952 -12.535 7.306 1.00 0.00 H new ATOM 369 N GLU A 27 -3.124 -9.323 3.449 1.00 0.00 N ATOM 370 CA GLU A 27 -4.051 -8.479 2.714 1.00 0.00 C ATOM 371 C GLU A 27 -3.945 -8.756 1.213 1.00 0.00 C ATOM 372 O GLU A 27 -2.887 -9.148 0.724 1.00 0.00 O ATOM 373 CB GLU A 27 -3.806 -7.000 3.018 1.00 0.00 C ATOM 374 CG GLU A 27 -5.023 -6.370 3.698 1.00 0.00 C ATOM 375 CD GLU A 27 -4.885 -4.848 3.769 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.213 -4.297 2.871 1.00 0.00 O ATOM 377 OE2 GLU A 27 -5.456 -4.270 4.719 1.00 0.00 O ATOM 0 H GLU A 27 -2.173 -9.333 3.081 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.064 -8.719 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.932 -6.897 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.585 -6.467 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.927 -6.631 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.133 -6.776 4.704 1.00 0.00 H new ATOM 384 N THR A 28 -5.057 -8.540 0.524 1.00 0.00 N ATOM 385 CA THR A 28 -5.102 -8.761 -0.911 1.00 0.00 C ATOM 386 C THR A 28 -4.131 -7.820 -1.627 1.00 0.00 C ATOM 387 O THR A 28 -3.761 -6.778 -1.088 1.00 0.00 O ATOM 388 CB THR A 28 -6.553 -8.601 -1.369 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.743 -7.190 -1.432 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.556 -9.064 -0.310 1.00 0.00 C ATOM 0 H THR A 28 -5.933 -8.214 0.933 1.00 0.00 H new ATOM 0 HA THR A 28 -4.775 -9.769 -1.166 1.00 0.00 H new ATOM 0 HB THR A 28 -6.708 -9.167 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.573 -6.993 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.570 -8.929 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.389 -10.118 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.424 -8.476 0.598 1.00 0.00 H new ATOM 398 N ARG A 29 -3.747 -8.220 -2.830 1.00 0.00 N ATOM 399 CA ARG A 29 -2.827 -7.425 -3.625 1.00 0.00 C ATOM 400 C ARG A 29 -3.265 -5.959 -3.636 1.00 0.00 C ATOM 401 O ARG A 29 -2.453 -5.063 -3.413 1.00 0.00 O ATOM 402 CB ARG A 29 -2.755 -7.940 -5.063 1.00 0.00 C ATOM 403 CG ARG A 29 -1.319 -7.896 -5.590 1.00 0.00 C ATOM 404 CD ARG A 29 -1.258 -7.218 -6.960 1.00 0.00 C ATOM 405 NE ARG A 29 0.045 -7.493 -7.604 1.00 0.00 N ATOM 406 CZ ARG A 29 0.324 -7.215 -8.885 1.00 0.00 C ATOM 407 NH1 ARG A 29 -0.607 -6.653 -9.667 1.00 0.00 N ATOM 408 NH2 ARG A 29 1.535 -7.500 -9.384 1.00 0.00 N ATOM 0 H ARG A 29 -4.056 -9.085 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.839 -7.509 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.131 -8.962 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.399 -7.336 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.686 -7.357 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.924 -8.909 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.069 -7.582 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.398 -6.143 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 29 0.777 -7.921 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.529 -6.436 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.394 -6.442 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.244 -7.928 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.748 -7.289 -10.359 1.00 0.00 H new ATOM 422 N PRO A 30 -4.583 -5.756 -3.906 1.00 0.00 N ATOM 423 CA PRO A 30 -5.139 -4.414 -3.950 1.00 0.00 C ATOM 424 C PRO A 30 -5.303 -3.842 -2.540 1.00 0.00 C ATOM 425 O PRO A 30 -5.191 -2.634 -2.339 1.00 0.00 O ATOM 426 CB PRO A 30 -6.459 -4.559 -4.689 1.00 0.00 C ATOM 427 CG PRO A 30 -6.813 -6.036 -4.623 1.00 0.00 C ATOM 428 CD PRO A 30 -5.574 -6.793 -4.175 1.00 0.00 C ATOM 0 HA PRO A 30 -4.487 -3.705 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.235 -3.950 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.367 -4.225 -5.723 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.634 -6.201 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.146 -6.392 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.775 -7.389 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.229 -7.480 -4.948 1.00 0.00 H new ATOM 436 N ARG A 31 -5.566 -4.738 -1.600 1.00 0.00 N ATOM 437 CA ARG A 31 -5.747 -4.338 -0.215 1.00 0.00 C ATOM 438 C ARG A 31 -4.438 -3.786 0.354 1.00 0.00 C ATOM 439 O ARG A 31 -4.358 -2.611 0.710 1.00 0.00 O ATOM 440 CB ARG A 31 -6.211 -5.517 0.643 1.00 0.00 C ATOM 441 CG ARG A 31 -7.733 -5.661 0.600 1.00 0.00 C ATOM 442 CD ARG A 31 -8.419 -4.393 1.111 1.00 0.00 C ATOM 443 NE ARG A 31 -9.758 -4.723 1.649 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.965 -5.364 2.807 1.00 0.00 C ATOM 445 NH1 ARG A 31 -8.922 -5.748 3.556 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.215 -5.621 3.216 1.00 0.00 N ATOM 0 H ARG A 31 -5.658 -5.739 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.513 -3.563 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.745 -6.436 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.885 -5.372 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.054 -5.866 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.038 -6.514 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.811 -3.928 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.512 -3.669 0.302 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.574 -4.445 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.971 -5.552 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.080 -6.236 4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.008 -5.329 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.373 -6.109 4.098 1.00 0.00 H new ATOM 460 N ILE A 32 -3.445 -4.660 0.422 1.00 0.00 N ATOM 461 CA ILE A 32 -2.143 -4.275 0.941 1.00 0.00 C ATOM 462 C ILE A 32 -1.820 -2.849 0.489 1.00 0.00 C ATOM 463 O ILE A 32 -1.741 -1.937 1.311 1.00 0.00 O ATOM 464 CB ILE A 32 -1.082 -5.302 0.541 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.450 -6.698 1.049 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.307 -4.868 1.015 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.352 -7.710 0.715 1.00 0.00 C ATOM 0 H ILE A 32 -3.515 -5.634 0.126 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.154 -4.270 2.031 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.050 -5.353 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.605 -6.667 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.391 -7.016 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.043 -5.615 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.562 -3.909 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.307 -4.770 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.638 -8.694 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.216 -7.756 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.582 -7.402 1.185 1.00 0.00 H new ATOM 479 N ILE A 33 -1.642 -2.702 -0.815 1.00 0.00 N ATOM 480 CA ILE A 33 -1.330 -1.402 -1.386 1.00 0.00 C ATOM 481 C ILE A 33 -2.156 -0.327 -0.677 1.00 0.00 C ATOM 482 O ILE A 33 -1.601 0.573 -0.048 1.00 0.00 O ATOM 483 CB ILE A 33 -1.521 -1.424 -2.903 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.560 -2.415 -3.563 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.388 -0.018 -3.493 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.144 -2.960 -4.868 1.00 0.00 C ATOM 0 H ILE A 33 -1.708 -3.461 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.281 -1.156 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.533 -1.768 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.392 -1.924 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.356 -3.239 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.528 -0.062 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.144 0.633 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.397 0.377 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.441 -3.662 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.084 -3.471 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.324 -2.136 -5.558 1.00 0.00 H new ATOM 498 N ALA A 34 -3.469 -0.456 -0.802 1.00 0.00 N ATOM 499 CA ALA A 34 -4.377 0.493 -0.182 1.00 0.00 C ATOM 500 C ALA A 34 -3.918 0.769 1.252 1.00 0.00 C ATOM 501 O ALA A 34 -3.811 1.924 1.662 1.00 0.00 O ATOM 502 CB ALA A 34 -5.805 -0.052 -0.242 1.00 0.00 C ATOM 0 H ALA A 34 -3.925 -1.204 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.367 1.441 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.486 0.660 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.093 -0.203 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.855 -1.002 0.290 1.00 0.00 H new ATOM 508 N ALA A 35 -3.659 -0.311 1.974 1.00 0.00 N ATOM 509 CA ALA A 35 -3.214 -0.200 3.353 1.00 0.00 C ATOM 510 C ALA A 35 -2.102 0.848 3.443 1.00 0.00 C ATOM 511 O ALA A 35 -2.008 1.575 4.431 1.00 0.00 O ATOM 512 CB ALA A 35 -2.763 -1.572 3.856 1.00 0.00 C ATOM 0 H ALA A 35 -3.749 -1.267 1.630 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.031 0.130 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.429 -1.489 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.596 -2.272 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.942 -1.934 3.238 1.00 0.00 H new ATOM 518 N ILE A 36 -1.289 0.892 2.398 1.00 0.00 N ATOM 519 CA ILE A 36 -0.188 1.839 2.346 1.00 0.00 C ATOM 520 C ILE A 36 -0.727 3.222 1.976 1.00 0.00 C ATOM 521 O ILE A 36 -0.223 4.237 2.454 1.00 0.00 O ATOM 522 CB ILE A 36 0.909 1.334 1.406 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.480 0.001 1.896 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.000 2.391 1.219 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.374 -0.636 0.830 1.00 0.00 C ATOM 0 H ILE A 36 -1.371 0.287 1.581 1.00 0.00 H new ATOM 0 HA ILE A 36 0.281 1.932 3.325 1.00 0.00 H new ATOM 0 HB ILE A 36 0.464 1.154 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.053 0.160 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.665 -0.678 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.767 2.007 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.563 3.294 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.448 2.626 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.767 -1.582 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.791 -0.816 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.201 0.036 0.600 1.00 0.00 H new ATOM 537 N TRP A 37 -1.744 3.217 1.126 1.00 0.00 N ATOM 538 CA TRP A 37 -2.356 4.459 0.686 1.00 0.00 C ATOM 539 C TRP A 37 -2.921 5.171 1.917 1.00 0.00 C ATOM 540 O TRP A 37 -2.520 6.291 2.229 1.00 0.00 O ATOM 541 CB TRP A 37 -3.413 4.198 -0.390 1.00 0.00 C ATOM 542 CG TRP A 37 -2.844 3.654 -1.702 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.626 3.140 -1.922 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.524 3.589 -2.973 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.472 2.751 -3.237 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.663 3.032 -3.896 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.824 3.987 -3.330 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -3.007 2.824 -5.237 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -5.153 3.772 -4.674 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.298 3.213 -5.616 1.00 0.00 C ATOM 0 H TRP A 37 -2.159 2.373 0.731 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.616 5.108 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.145 3.490 -0.002 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.946 5.127 -0.594 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.861 3.043 -1.166 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.638 2.334 -3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.514 4.424 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.314 2.387 -5.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.141 4.061 -5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.627 3.079 -6.636 1.00 0.00 H new ATOM 561 N HIS A 38 -3.842 4.491 2.584 1.00 0.00 N ATOM 562 CA HIS A 38 -4.465 5.044 3.774 1.00 0.00 C ATOM 563 C HIS A 38 -3.383 5.518 4.747 1.00 0.00 C ATOM 564 O HIS A 38 -3.408 6.661 5.201 1.00 0.00 O ATOM 565 CB HIS A 38 -5.426 4.034 4.404 1.00 0.00 C ATOM 566 CG HIS A 38 -5.984 4.466 5.739 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.335 4.679 5.954 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.361 4.722 6.924 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.505 5.047 7.215 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.280 5.074 7.815 1.00 0.00 N ATOM 0 H HIS A 38 -4.172 3.562 2.323 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.067 5.911 3.503 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.253 3.857 3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.907 3.084 4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.299 4.651 7.107 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.448 5.284 7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.100 5.323 8.788 1.00 0.00 H new ATOM 578 N TYR A 39 -2.458 4.615 5.039 1.00 0.00 N ATOM 579 CA TYR A 39 -1.369 4.926 5.949 1.00 0.00 C ATOM 580 C TYR A 39 -0.659 6.216 5.534 1.00 0.00 C ATOM 581 O TYR A 39 -0.635 7.187 6.290 1.00 0.00 O ATOM 582 CB TYR A 39 -0.385 3.760 5.843 1.00 0.00 C ATOM 583 CG TYR A 39 0.782 3.838 6.831 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.537 3.832 8.189 1.00 0.00 C ATOM 585 CD2 TYR A 39 2.078 3.915 6.363 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.635 3.906 9.118 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.175 3.989 7.292 1.00 0.00 C ATOM 588 CZ TYR A 39 2.899 3.981 8.624 1.00 0.00 C ATOM 589 OH TYR A 39 3.936 4.051 9.502 1.00 0.00 O ATOM 0 H TYR A 39 -2.441 3.668 4.661 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.744 5.066 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.924 2.827 6.007 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.013 3.725 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.477 3.772 8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.269 3.920 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.458 3.902 10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.194 4.050 6.940 1.00 0.00 H new ATOM 0 HH TYR A 39 4.781 4.099 9.007 1.00 0.00 H new ATOM 599 N VAL A 40 -0.098 6.186 4.334 1.00 0.00 N ATOM 600 CA VAL A 40 0.610 7.341 3.810 1.00 0.00 C ATOM 601 C VAL A 40 -0.265 8.586 3.969 1.00 0.00 C ATOM 602 O VAL A 40 0.231 9.657 4.314 1.00 0.00 O ATOM 603 CB VAL A 40 1.028 7.085 2.360 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.629 8.344 1.732 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.002 5.909 2.270 1.00 0.00 C ATOM 0 H VAL A 40 -0.120 5.380 3.710 1.00 0.00 H new ATOM 0 HA VAL A 40 1.527 7.514 4.373 1.00 0.00 H new ATOM 0 HB VAL A 40 0.134 6.823 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.918 8.135 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.891 9.146 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.508 8.650 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.283 5.748 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.894 6.129 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.524 5.010 2.660 1.00 0.00 H new ATOM 615 N LYS A 41 -1.551 8.403 3.709 1.00 0.00 N ATOM 616 CA LYS A 41 -2.500 9.498 3.819 1.00 0.00 C ATOM 617 C LYS A 41 -2.637 9.903 5.288 1.00 0.00 C ATOM 618 O LYS A 41 -2.567 11.086 5.619 1.00 0.00 O ATOM 619 CB LYS A 41 -3.828 9.125 3.157 1.00 0.00 C ATOM 620 CG LYS A 41 -5.004 9.790 3.874 1.00 0.00 C ATOM 621 CD LYS A 41 -6.141 10.095 2.897 1.00 0.00 C ATOM 622 CE LYS A 41 -6.597 11.550 3.023 1.00 0.00 C ATOM 623 NZ LYS A 41 -7.841 11.636 3.820 1.00 0.00 N ATOM 0 H LYS A 41 -1.958 7.513 3.422 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.137 10.373 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.815 9.431 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.954 8.042 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.367 9.137 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.670 10.713 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.810 9.901 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.981 9.429 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.814 12.143 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.763 11.972 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.137 12.630 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.591 11.086 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.671 11.252 4.771 1.00 0.00 H new ATOM 637 N ALA A 42 -2.830 8.898 6.129 1.00 0.00 N ATOM 638 CA ALA A 42 -2.978 9.134 7.555 1.00 0.00 C ATOM 639 C ALA A 42 -1.736 9.858 8.080 1.00 0.00 C ATOM 640 O ALA A 42 -1.847 10.872 8.766 1.00 0.00 O ATOM 641 CB ALA A 42 -3.224 7.804 8.271 1.00 0.00 C ATOM 0 H ALA A 42 -2.887 7.918 5.850 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.839 9.773 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.335 7.982 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.133 7.345 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.379 7.137 8.100 1.00 0.00 H new ATOM 647 N ARG A 43 -0.581 9.307 7.737 1.00 0.00 N ATOM 648 CA ARG A 43 0.681 9.887 8.164 1.00 0.00 C ATOM 649 C ARG A 43 0.922 11.218 7.450 1.00 0.00 C ATOM 650 O ARG A 43 1.874 11.932 7.764 1.00 0.00 O ATOM 651 CB ARG A 43 1.849 8.941 7.873 1.00 0.00 C ATOM 652 CG ARG A 43 2.034 7.934 9.010 1.00 0.00 C ATOM 653 CD ARG A 43 0.748 7.144 9.257 1.00 0.00 C ATOM 654 NE ARG A 43 -0.043 7.787 10.330 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.097 7.218 10.931 1.00 0.00 C ATOM 656 NH1 ARG A 43 -1.493 5.991 10.568 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.754 7.877 11.895 1.00 0.00 N ATOM 0 H ARG A 43 -0.493 8.465 7.168 1.00 0.00 H new ATOM 0 HA ARG A 43 0.622 10.053 9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.668 8.410 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.764 9.518 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.845 7.248 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.324 8.458 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.160 7.095 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.989 6.119 9.537 1.00 0.00 H new ATOM 0 HE ARG A 43 0.231 8.722 10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.992 5.490 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.295 5.558 11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.452 8.811 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.556 7.444 12.353 1.00 0.00 H new ATOM 671 N LYS A 44 0.044 11.513 6.503 1.00 0.00 N ATOM 672 CA LYS A 44 0.149 12.746 5.742 1.00 0.00 C ATOM 673 C LYS A 44 1.341 12.651 4.787 1.00 0.00 C ATOM 674 O LYS A 44 1.697 13.630 4.134 1.00 0.00 O ATOM 675 CB LYS A 44 0.209 13.952 6.682 1.00 0.00 C ATOM 676 CG LYS A 44 -0.996 14.871 6.472 1.00 0.00 C ATOM 677 CD LYS A 44 -0.828 15.717 5.208 1.00 0.00 C ATOM 678 CE LYS A 44 -0.784 17.208 5.548 1.00 0.00 C ATOM 679 NZ LYS A 44 0.592 17.616 5.911 1.00 0.00 N ATOM 0 H LYS A 44 -0.744 10.919 6.245 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.740 12.892 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.234 13.610 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.130 14.508 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.904 14.273 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.115 15.523 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.089 15.430 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.652 15.521 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.130 17.792 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.462 17.419 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.605 18.631 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.909 17.071 6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.231 17.433 5.111 1.00 0.00 H new ATOM 693 N LEU A 45 1.925 11.463 4.737 1.00 0.00 N ATOM 694 CA LEU A 45 3.069 11.227 3.873 1.00 0.00 C ATOM 695 C LEU A 45 2.770 11.775 2.476 1.00 0.00 C ATOM 696 O LEU A 45 3.686 12.106 1.726 1.00 0.00 O ATOM 697 CB LEU A 45 3.451 9.745 3.882 1.00 0.00 C ATOM 698 CG LEU A 45 4.209 9.256 5.118 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.806 7.868 4.882 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.270 10.271 5.548 1.00 0.00 C ATOM 0 H LEU A 45 1.627 10.653 5.281 1.00 0.00 H new ATOM 0 HA LEU A 45 3.943 11.761 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.540 9.155 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.061 9.542 3.002 1.00 0.00 H new ATOM 0 HG LEU A 45 3.499 9.165 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.339 7.544 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.007 7.161 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.498 7.908 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.794 9.899 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.983 10.418 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.790 11.220 5.786 1.00 0.00 H new ATOM 712 N GLN A 46 1.483 11.855 2.170 1.00 0.00 N ATOM 713 CA GLN A 46 1.052 12.358 0.877 1.00 0.00 C ATOM 714 C GLN A 46 1.904 13.560 0.464 1.00 0.00 C ATOM 715 O GLN A 46 2.211 14.421 1.288 1.00 0.00 O ATOM 716 CB GLN A 46 -0.435 12.721 0.898 1.00 0.00 C ATOM 717 CG GLN A 46 -0.879 13.291 -0.451 1.00 0.00 C ATOM 718 CD GLN A 46 -2.380 13.587 -0.453 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.999 13.797 0.577 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.929 13.592 -1.665 1.00 0.00 N ATOM 0 H GLN A 46 0.725 11.580 2.795 1.00 0.00 H new ATOM 0 HA GLN A 46 1.190 11.569 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.026 11.836 1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.624 13.451 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.324 14.205 -0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.643 12.582 -1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.353 13.408 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.926 13.780 -1.773 1.00 0.00 H new ATOM 729 N ASN A 47 2.261 13.581 -0.812 1.00 0.00 N ATOM 730 CA ASN A 47 3.071 14.663 -1.344 1.00 0.00 C ATOM 731 C ASN A 47 2.157 15.803 -1.800 1.00 0.00 C ATOM 732 O ASN A 47 1.095 15.561 -2.371 1.00 0.00 O ATOM 733 CB ASN A 47 3.885 14.198 -2.553 1.00 0.00 C ATOM 734 CG ASN A 47 5.343 13.939 -2.166 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.666 12.998 -1.461 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.201 14.824 -2.665 1.00 0.00 N ATOM 0 H ASN A 47 2.004 12.866 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 47 3.749 14.994 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.447 13.288 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.842 14.954 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.197 14.738 -2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.863 15.589 -3.249 1.00 0.00 H new ATOM 743 N PRO A 48 2.615 17.053 -1.523 1.00 0.00 N ATOM 744 CA PRO A 48 1.851 18.230 -1.897 1.00 0.00 C ATOM 745 C PRO A 48 1.948 18.491 -3.402 1.00 0.00 C ATOM 746 O PRO A 48 0.958 18.846 -4.039 1.00 0.00 O ATOM 747 CB PRO A 48 2.431 19.359 -1.060 1.00 0.00 C ATOM 748 CG PRO A 48 3.795 18.875 -0.596 1.00 0.00 C ATOM 749 CD PRO A 48 3.869 17.377 -0.847 1.00 0.00 C ATOM 0 HA PRO A 48 0.784 18.117 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.520 20.274 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.787 19.586 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.588 19.392 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.937 19.092 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.730 17.121 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.970 16.823 0.086 1.00 0.00 H new ATOM 757 N ASN A 49 3.151 18.305 -3.926 1.00 0.00 N ATOM 758 CA ASN A 49 3.390 18.516 -5.344 1.00 0.00 C ATOM 759 C ASN A 49 2.662 17.435 -6.145 1.00 0.00 C ATOM 760 O ASN A 49 1.676 17.719 -6.823 1.00 0.00 O ATOM 761 CB ASN A 49 4.882 18.422 -5.670 1.00 0.00 C ATOM 762 CG ASN A 49 5.651 19.596 -5.060 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.491 19.435 -4.189 1.00 0.00 O ATOM 764 ND2 ASN A 49 5.320 20.781 -5.564 1.00 0.00 N ATOM 0 H ASN A 49 3.970 18.011 -3.394 1.00 0.00 H new ATOM 0 HA ASN A 49 3.026 19.510 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.283 17.483 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.022 18.413 -6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.778 21.626 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.608 20.845 -6.292 1.00 0.00 H new ATOM 771 N ASP A 50 3.177 16.219 -6.042 1.00 0.00 N ATOM 772 CA ASP A 50 2.588 15.094 -6.749 1.00 0.00 C ATOM 773 C ASP A 50 1.690 14.309 -5.791 1.00 0.00 C ATOM 774 O ASP A 50 2.154 13.810 -4.767 1.00 0.00 O ATOM 775 CB ASP A 50 3.668 14.144 -7.270 1.00 0.00 C ATOM 776 CG ASP A 50 4.399 14.623 -8.525 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.123 15.635 -8.410 1.00 0.00 O ATOM 778 OD2 ASP A 50 4.218 13.965 -9.573 1.00 0.00 O ATOM 0 H ASP A 50 3.996 15.988 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 50 2.017 15.486 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.401 13.983 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.210 13.178 -7.481 1.00 0.00 H new ATOM 783 N PRO A 51 0.386 14.221 -6.168 1.00 0.00 N ATOM 784 CA PRO A 51 -0.581 13.504 -5.354 1.00 0.00 C ATOM 785 C PRO A 51 -0.403 11.991 -5.494 1.00 0.00 C ATOM 786 O PRO A 51 -0.924 11.224 -4.687 1.00 0.00 O ATOM 787 CB PRO A 51 -1.938 13.990 -5.838 1.00 0.00 C ATOM 788 CG PRO A 51 -1.698 14.603 -7.207 1.00 0.00 C ATOM 789 CD PRO A 51 -0.199 14.798 -7.374 1.00 0.00 C ATOM 0 HA PRO A 51 -0.459 13.697 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.649 13.166 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.358 14.724 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.088 13.953 -7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.219 15.556 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.168 14.298 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.055 15.854 -7.471 1.00 0.00 H new ATOM 797 N SER A 52 0.336 11.608 -6.525 1.00 0.00 N ATOM 798 CA SER A 52 0.590 10.200 -6.781 1.00 0.00 C ATOM 799 C SER A 52 1.755 9.713 -5.918 1.00 0.00 C ATOM 800 O SER A 52 1.754 8.575 -5.452 1.00 0.00 O ATOM 801 CB SER A 52 0.888 9.955 -8.262 1.00 0.00 C ATOM 802 OG SER A 52 -0.161 9.237 -8.905 1.00 0.00 O ATOM 0 H SER A 52 0.767 12.248 -7.193 1.00 0.00 H new ATOM 0 HA SER A 52 -0.307 9.638 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.035 10.911 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.820 9.398 -8.357 1.00 0.00 H new ATOM 0 HG SER A 52 0.066 9.102 -9.849 1.00 0.00 H new ATOM 808 N PHE A 53 2.722 10.599 -5.730 1.00 0.00 N ATOM 809 CA PHE A 53 3.891 10.274 -4.931 1.00 0.00 C ATOM 810 C PHE A 53 3.630 10.535 -3.446 1.00 0.00 C ATOM 811 O PHE A 53 2.549 10.987 -3.072 1.00 0.00 O ATOM 812 CB PHE A 53 5.025 11.185 -5.405 1.00 0.00 C ATOM 813 CG PHE A 53 6.022 10.501 -6.342 1.00 0.00 C ATOM 814 CD1 PHE A 53 6.954 9.647 -5.839 1.00 0.00 C ATOM 815 CD2 PHE A 53 5.977 10.746 -7.679 1.00 0.00 C ATOM 816 CE1 PHE A 53 7.879 9.012 -6.709 1.00 0.00 C ATOM 817 CE2 PHE A 53 6.902 10.111 -8.549 1.00 0.00 C ATOM 818 CZ PHE A 53 7.834 9.258 -8.046 1.00 0.00 C ATOM 0 H PHE A 53 2.720 11.542 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 53 4.140 9.219 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.596 12.047 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.561 11.564 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.990 9.452 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.237 11.424 -8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.618 8.334 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.865 10.305 -9.611 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.538 8.776 -8.708 1.00 0.00 H new ATOM 828 N PHE A 54 4.639 10.239 -2.640 1.00 0.00 N ATOM 829 CA PHE A 54 4.532 10.436 -1.204 1.00 0.00 C ATOM 830 C PHE A 54 5.897 10.291 -0.528 1.00 0.00 C ATOM 831 O PHE A 54 6.760 9.562 -1.013 1.00 0.00 O ATOM 832 CB PHE A 54 3.594 9.351 -0.672 1.00 0.00 C ATOM 833 CG PHE A 54 4.023 7.927 -1.031 1.00 0.00 C ATOM 834 CD1 PHE A 54 5.009 7.314 -0.322 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.420 7.274 -2.060 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.407 5.993 -0.655 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.818 5.952 -2.394 1.00 0.00 C ATOM 838 CZ PHE A 54 4.803 5.340 -1.684 1.00 0.00 C ATOM 0 H PHE A 54 5.534 9.864 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 54 4.156 11.437 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.532 9.438 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.592 9.527 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.489 7.833 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.638 7.761 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.189 5.506 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.339 5.433 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.106 4.335 -1.937 1.00 0.00 H new ATOM 848 N ASN A 55 6.049 10.997 0.583 1.00 0.00 N ATOM 849 CA ASN A 55 7.294 10.956 1.331 1.00 0.00 C ATOM 850 C ASN A 55 7.279 9.749 2.271 1.00 0.00 C ATOM 851 O ASN A 55 6.213 9.275 2.662 1.00 0.00 O ATOM 852 CB ASN A 55 7.467 12.216 2.182 1.00 0.00 C ATOM 853 CG ASN A 55 7.800 13.426 1.308 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.948 13.798 1.128 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.735 14.019 0.776 1.00 0.00 N ATOM 0 H ASN A 55 5.331 11.601 0.983 1.00 0.00 H new ATOM 0 HA ASN A 55 8.115 10.888 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.553 12.409 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.262 12.060 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.852 14.836 0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.801 13.657 0.967 1.00 0.00 H new ATOM 862 N CYS A 56 8.474 9.286 2.607 1.00 0.00 N ATOM 863 CA CYS A 56 8.612 8.144 3.494 1.00 0.00 C ATOM 864 C CYS A 56 8.598 8.651 4.938 1.00 0.00 C ATOM 865 O CYS A 56 9.146 9.712 5.231 1.00 0.00 O ATOM 866 CB CYS A 56 9.875 7.337 3.185 1.00 0.00 C ATOM 867 SG CYS A 56 11.355 8.244 3.765 1.00 0.00 S ATOM 0 H CYS A 56 9.356 9.681 2.281 1.00 0.00 H new ATOM 0 HA CYS A 56 7.777 7.460 3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.822 6.363 3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.947 7.155 2.113 1.00 0.00 H new ATOM 0 HG CYS A 56 10.987 9.239 4.516 1.00 0.00 H new ATOM 873 N ASP A 57 7.965 7.870 5.800 1.00 0.00 N ATOM 874 CA ASP A 57 7.872 8.227 7.205 1.00 0.00 C ATOM 875 C ASP A 57 9.153 7.796 7.922 1.00 0.00 C ATOM 876 O ASP A 57 9.778 8.595 8.619 1.00 0.00 O ATOM 877 CB ASP A 57 6.694 7.519 7.877 1.00 0.00 C ATOM 878 CG ASP A 57 5.662 8.448 8.519 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.685 9.648 8.171 1.00 0.00 O ATOM 880 OD2 ASP A 57 4.874 7.937 9.344 1.00 0.00 O ATOM 0 H ASP A 57 7.511 6.991 5.553 1.00 0.00 H new ATOM 0 HA ASP A 57 7.729 9.306 7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.191 6.899 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.082 6.847 8.643 1.00 0.00 H new ATOM 885 N ALA A 58 9.507 6.534 7.726 1.00 0.00 N ATOM 886 CA ALA A 58 10.703 5.988 8.346 1.00 0.00 C ATOM 887 C ALA A 58 10.645 4.460 8.296 1.00 0.00 C ATOM 888 O ALA A 58 11.680 3.797 8.232 1.00 0.00 O ATOM 889 CB ALA A 58 10.827 6.520 9.775 1.00 0.00 C ATOM 0 H ALA A 58 8.987 5.874 7.147 1.00 0.00 H new ATOM 0 HA ALA A 58 11.594 6.303 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.724 6.110 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.894 7.608 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.951 6.222 10.352 1.00 0.00 H new ATOM 895 N ALA A 59 9.425 3.944 8.326 1.00 0.00 N ATOM 896 CA ALA A 59 9.218 2.507 8.285 1.00 0.00 C ATOM 897 C ALA A 59 8.996 2.069 6.836 1.00 0.00 C ATOM 898 O ALA A 59 9.217 0.908 6.494 1.00 0.00 O ATOM 899 CB ALA A 59 8.045 2.133 9.193 1.00 0.00 C ATOM 0 H ALA A 59 8.569 4.496 8.378 1.00 0.00 H new ATOM 0 HA ALA A 59 10.098 1.982 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.890 1.055 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.265 2.439 10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.143 2.639 8.849 1.00 0.00 H new ATOM 905 N LEU A 60 8.563 3.021 6.023 1.00 0.00 N ATOM 906 CA LEU A 60 8.309 2.748 4.619 1.00 0.00 C ATOM 907 C LEU A 60 9.639 2.514 3.901 1.00 0.00 C ATOM 908 O LEU A 60 9.674 1.896 2.838 1.00 0.00 O ATOM 909 CB LEU A 60 7.465 3.864 4.000 1.00 0.00 C ATOM 910 CG LEU A 60 5.952 3.750 4.200 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.262 5.090 3.939 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.369 2.628 3.339 1.00 0.00 C ATOM 0 H LEU A 60 8.382 3.983 6.310 1.00 0.00 H new ATOM 0 HA LEU A 60 7.721 1.837 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.796 4.816 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.669 3.896 2.930 1.00 0.00 H new ATOM 0 HG LEU A 60 5.764 3.488 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.188 4.981 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.650 5.839 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.456 5.406 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.293 2.568 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.568 2.835 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.831 1.680 3.615 1.00 0.00 H new ATOM 924 N GLN A 61 10.702 3.019 4.510 1.00 0.00 N ATOM 925 CA GLN A 61 12.031 2.873 3.942 1.00 0.00 C ATOM 926 C GLN A 61 12.440 1.398 3.922 1.00 0.00 C ATOM 927 O GLN A 61 12.586 0.806 2.854 1.00 0.00 O ATOM 928 CB GLN A 61 13.052 3.714 4.711 1.00 0.00 C ATOM 929 CG GLN A 61 13.441 4.963 3.918 1.00 0.00 C ATOM 930 CD GLN A 61 14.905 4.897 3.476 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.663 4.029 3.876 1.00 0.00 O ATOM 932 NE2 GLN A 61 15.258 5.861 2.630 1.00 0.00 N ATOM 0 H GLN A 61 10.669 3.530 5.392 1.00 0.00 H new ATOM 0 HA GLN A 61 12.008 3.238 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.636 4.006 5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.941 3.117 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.797 5.058 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.282 5.851 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.573 6.557 2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.214 5.904 2.276 1.00 0.00 H new ATOM 941 N LYS A 62 12.612 0.848 5.115 1.00 0.00 N ATOM 942 CA LYS A 62 13.001 -0.545 5.247 1.00 0.00 C ATOM 943 C LYS A 62 12.258 -1.379 4.201 1.00 0.00 C ATOM 944 O LYS A 62 12.771 -2.395 3.734 1.00 0.00 O ATOM 945 CB LYS A 62 12.785 -1.027 6.683 1.00 0.00 C ATOM 946 CG LYS A 62 14.038 -0.801 7.532 1.00 0.00 C ATOM 947 CD LYS A 62 14.428 -2.073 8.286 1.00 0.00 C ATOM 948 CE LYS A 62 15.384 -2.932 7.455 1.00 0.00 C ATOM 949 NZ LYS A 62 15.038 -4.365 7.584 1.00 0.00 N ATOM 0 H LYS A 62 12.489 1.342 5.999 1.00 0.00 H new ATOM 0 HA LYS A 62 14.067 -0.663 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.941 -0.497 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.530 -2.087 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.863 -0.486 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.859 0.006 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.900 -1.809 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.533 -2.647 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.335 -2.633 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.410 -2.768 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.696 -4.934 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.108 -4.651 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.066 -4.519 7.247 1.00 0.00 H new ATOM 963 N VAL A 63 11.063 -0.919 3.863 1.00 0.00 N ATOM 964 CA VAL A 63 10.245 -1.609 2.881 1.00 0.00 C ATOM 965 C VAL A 63 10.806 -1.348 1.482 1.00 0.00 C ATOM 966 O VAL A 63 11.293 -2.266 0.823 1.00 0.00 O ATOM 967 CB VAL A 63 8.782 -1.186 3.027 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.917 -1.816 1.934 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.247 -1.532 4.418 1.00 0.00 C ATOM 0 H VAL A 63 10.641 -0.076 4.252 1.00 0.00 H new ATOM 0 HA VAL A 63 10.276 -2.686 3.048 1.00 0.00 H new ATOM 0 HB VAL A 63 8.733 -0.103 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.882 -1.499 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.277 -1.497 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.975 -2.902 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.205 -1.221 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.317 -2.608 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.837 -1.014 5.174 1.00 0.00 H new ATOM 979 N PHE A 64 10.720 -0.092 1.069 1.00 0.00 N ATOM 980 CA PHE A 64 11.213 0.302 -0.239 1.00 0.00 C ATOM 981 C PHE A 64 12.701 0.651 -0.182 1.00 0.00 C ATOM 982 O PHE A 64 13.527 -0.033 -0.785 1.00 0.00 O ATOM 983 CB PHE A 64 10.426 1.545 -0.659 1.00 0.00 C ATOM 984 CG PHE A 64 8.908 1.347 -0.665 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.341 0.467 -1.533 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.127 2.053 0.196 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.933 0.284 -1.539 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.719 1.870 0.190 1.00 0.00 C ATOM 989 CZ PHE A 64 6.151 0.989 -0.677 1.00 0.00 C ATOM 0 H PHE A 64 10.316 0.667 1.618 1.00 0.00 H new ATOM 0 HA PHE A 64 11.086 -0.518 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.673 2.364 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.747 1.846 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.961 -0.092 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.578 2.753 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.482 -0.415 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.099 2.430 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.080 0.849 -0.681 1.00 0.00 H new ATOM 999 N GLY A 65 12.999 1.715 0.549 1.00 0.00 N ATOM 1000 CA GLY A 65 14.374 2.163 0.693 1.00 0.00 C ATOM 1001 C GLY A 65 14.594 3.497 -0.024 1.00 0.00 C ATOM 1002 O GLY A 65 15.731 3.935 -0.193 1.00 0.00 O ATOM 0 H GLY A 65 12.312 2.280 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.617 2.270 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.050 1.411 0.285 1.00 0.00 H new ATOM 1006 N GLU A 66 13.488 4.105 -0.427 1.00 0.00 N ATOM 1007 CA GLU A 66 13.545 5.380 -1.123 1.00 0.00 C ATOM 1008 C GLU A 66 12.815 6.457 -0.318 1.00 0.00 C ATOM 1009 O GLU A 66 11.793 6.182 0.309 1.00 0.00 O ATOM 1010 CB GLU A 66 12.965 5.261 -2.533 1.00 0.00 C ATOM 1011 CG GLU A 66 13.703 4.193 -3.342 1.00 0.00 C ATOM 1012 CD GLU A 66 13.984 4.679 -4.765 1.00 0.00 C ATOM 1013 OE1 GLU A 66 14.974 5.425 -4.925 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.203 4.293 -5.661 1.00 0.00 O ATOM 0 H GLU A 66 12.547 3.739 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 66 14.590 5.673 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.906 5.010 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.037 6.222 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.641 3.942 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.107 3.281 -3.377 1.00 0.00 H new ATOM 1021 N GLU A 67 13.369 7.660 -0.361 1.00 0.00 N ATOM 1022 CA GLU A 67 12.783 8.779 0.356 1.00 0.00 C ATOM 1023 C GLU A 67 11.277 8.849 0.093 1.00 0.00 C ATOM 1024 O GLU A 67 10.486 8.990 1.025 1.00 0.00 O ATOM 1025 CB GLU A 67 13.467 10.093 -0.025 1.00 0.00 C ATOM 1026 CG GLU A 67 14.989 9.964 0.062 1.00 0.00 C ATOM 1027 CD GLU A 67 15.402 9.161 1.297 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.413 7.916 1.186 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.695 9.810 2.324 1.00 0.00 O ATOM 0 H GLU A 67 14.217 7.884 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 67 12.939 8.622 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.180 10.376 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.127 10.889 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.368 9.477 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.440 10.956 0.101 1.00 0.00 H new ATOM 1036 N LYS A 68 10.926 8.747 -1.180 1.00 0.00 N ATOM 1037 CA LYS A 68 9.529 8.797 -1.578 1.00 0.00 C ATOM 1038 C LYS A 68 9.244 7.664 -2.566 1.00 0.00 C ATOM 1039 O LYS A 68 10.128 6.864 -2.871 1.00 0.00 O ATOM 1040 CB LYS A 68 9.174 10.185 -2.114 1.00 0.00 C ATOM 1041 CG LYS A 68 10.202 10.654 -3.146 1.00 0.00 C ATOM 1042 CD LYS A 68 9.514 11.287 -4.357 1.00 0.00 C ATOM 1043 CE LYS A 68 8.686 12.505 -3.942 1.00 0.00 C ATOM 1044 NZ LYS A 68 9.526 13.724 -3.933 1.00 0.00 N ATOM 0 H LYS A 68 11.585 8.630 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 68 8.881 8.639 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.183 10.161 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.130 10.897 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.878 11.376 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.810 9.809 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.263 11.585 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.870 10.552 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.851 12.636 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.260 12.342 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.949 14.541 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.308 13.602 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.912 13.887 -4.885 1.00 0.00 H new ATOM 1058 N LEU A 69 8.007 7.632 -3.040 1.00 0.00 N ATOM 1059 CA LEU A 69 7.595 6.611 -3.987 1.00 0.00 C ATOM 1060 C LEU A 69 6.231 6.984 -4.572 1.00 0.00 C ATOM 1061 O LEU A 69 5.582 7.915 -4.097 1.00 0.00 O ATOM 1062 CB LEU A 69 7.625 5.228 -3.332 1.00 0.00 C ATOM 1063 CG LEU A 69 8.317 4.122 -4.132 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.262 3.312 -3.243 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.291 3.234 -4.839 1.00 0.00 C ATOM 0 H LEU A 69 7.277 8.297 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 69 8.297 6.559 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.122 5.316 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.599 4.919 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 69 8.926 4.589 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.741 2.533 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.024 3.971 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.696 2.854 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.809 2.456 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.637 2.773 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.695 3.839 -5.522 1.00 0.00 H new ATOM 1077 N LYS A 70 5.836 6.239 -5.593 1.00 0.00 N ATOM 1078 CA LYS A 70 4.561 6.480 -6.247 1.00 0.00 C ATOM 1079 C LYS A 70 3.489 5.597 -5.605 1.00 0.00 C ATOM 1080 O LYS A 70 3.762 4.460 -5.223 1.00 0.00 O ATOM 1081 CB LYS A 70 4.690 6.289 -7.760 1.00 0.00 C ATOM 1082 CG LYS A 70 5.904 7.044 -8.306 1.00 0.00 C ATOM 1083 CD LYS A 70 6.216 6.615 -9.741 1.00 0.00 C ATOM 1084 CE LYS A 70 7.697 6.265 -9.898 1.00 0.00 C ATOM 1085 NZ LYS A 70 7.927 5.544 -11.171 1.00 0.00 N ATOM 0 H LYS A 70 6.377 5.467 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 70 4.250 7.515 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.784 5.228 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.785 6.643 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.713 8.117 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.769 6.857 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.605 5.753 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.953 7.418 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.296 7.175 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.022 5.648 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.944 5.359 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.410 4.642 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.589 6.125 -11.965 1.00 0.00 H new ATOM 1099 N PHE A 71 2.290 6.154 -5.507 1.00 0.00 N ATOM 1100 CA PHE A 71 1.176 5.431 -4.918 1.00 0.00 C ATOM 1101 C PHE A 71 0.791 4.223 -5.775 1.00 0.00 C ATOM 1102 O PHE A 71 0.135 3.301 -5.294 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.007 6.401 -4.865 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.079 7.224 -3.577 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.043 6.601 -2.369 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.179 8.579 -3.641 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.109 7.366 -1.174 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.246 9.343 -2.446 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.209 8.720 -1.238 1.00 0.00 C ATOM 0 H PHE A 71 2.066 7.097 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 71 1.450 5.067 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.055 7.080 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.932 5.836 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.036 5.525 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.207 9.074 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.080 6.872 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.326 10.419 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.259 9.301 -0.329 1.00 0.00 H new ATOM 1119 N THR A 72 1.216 4.268 -7.029 1.00 0.00 N ATOM 1120 CA THR A 72 0.925 3.189 -7.957 1.00 0.00 C ATOM 1121 C THR A 72 2.051 2.154 -7.942 1.00 0.00 C ATOM 1122 O THR A 72 1.794 0.952 -7.894 1.00 0.00 O ATOM 1123 CB THR A 72 0.684 3.804 -9.337 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.846 4.593 -9.573 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.461 4.819 -9.334 1.00 0.00 C ATOM 0 H THR A 72 1.760 5.035 -7.424 1.00 0.00 H new ATOM 0 HA THR A 72 0.025 2.648 -7.664 1.00 0.00 H new ATOM 0 HB THR A 72 0.465 3.012 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.774 5.027 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.590 5.225 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.382 4.328 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.228 5.628 -8.642 1.00 0.00 H new ATOM 1133 N MET A 73 3.276 2.658 -7.984 1.00 0.00 N ATOM 1134 CA MET A 73 4.443 1.792 -7.975 1.00 0.00 C ATOM 1135 C MET A 73 4.407 0.836 -6.781 1.00 0.00 C ATOM 1136 O MET A 73 4.971 -0.256 -6.839 1.00 0.00 O ATOM 1137 CB MET A 73 5.711 2.645 -7.909 1.00 0.00 C ATOM 1138 CG MET A 73 5.879 3.478 -9.182 1.00 0.00 C ATOM 1139 SD MET A 73 6.555 2.466 -10.488 1.00 0.00 S ATOM 1140 CE MET A 73 8.268 2.417 -9.986 1.00 0.00 C ATOM 0 H MET A 73 3.486 3.655 -8.024 1.00 0.00 H new ATOM 0 HA MET A 73 4.440 1.200 -8.890 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.665 3.304 -7.042 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.580 2.001 -7.774 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.916 3.887 -9.489 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.538 4.325 -8.988 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.894 2.197 -10.850 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.553 3.383 -9.568 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.404 1.641 -9.232 1.00 0.00 H new ATOM 1150 N VAL A 74 3.739 1.281 -5.727 1.00 0.00 N ATOM 1151 CA VAL A 74 3.623 0.479 -4.521 1.00 0.00 C ATOM 1152 C VAL A 74 3.258 -0.957 -4.903 1.00 0.00 C ATOM 1153 O VAL A 74 3.568 -1.896 -4.170 1.00 0.00 O ATOM 1154 CB VAL A 74 2.616 1.117 -3.563 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.205 0.135 -2.465 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.174 2.409 -2.962 1.00 0.00 C ATOM 0 H VAL A 74 3.272 2.187 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 74 4.576 0.443 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 74 1.724 1.371 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.489 0.614 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.748 -0.745 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.086 -0.165 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.438 2.843 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.089 2.189 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.393 3.117 -3.761 1.00 0.00 H new ATOM 1166 N SER A 75 2.604 -1.083 -6.048 1.00 0.00 N ATOM 1167 CA SER A 75 2.193 -2.389 -6.536 1.00 0.00 C ATOM 1168 C SER A 75 3.416 -3.180 -7.006 1.00 0.00 C ATOM 1169 O SER A 75 3.544 -4.366 -6.707 1.00 0.00 O ATOM 1170 CB SER A 75 1.177 -2.258 -7.671 1.00 0.00 C ATOM 1171 OG SER A 75 1.592 -1.312 -8.653 1.00 0.00 O ATOM 0 H SER A 75 2.348 -0.302 -6.652 1.00 0.00 H new ATOM 0 HA SER A 75 1.714 -2.925 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.033 -3.230 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.213 -1.956 -7.262 1.00 0.00 H new ATOM 0 HG SER A 75 1.344 -0.409 -8.363 1.00 0.00 H new ATOM 1177 N GLN A 76 4.282 -2.492 -7.734 1.00 0.00 N ATOM 1178 CA GLN A 76 5.490 -3.115 -8.248 1.00 0.00 C ATOM 1179 C GLN A 76 6.637 -2.956 -7.249 1.00 0.00 C ATOM 1180 O GLN A 76 7.805 -2.947 -7.635 1.00 0.00 O ATOM 1181 CB GLN A 76 5.867 -2.536 -9.613 1.00 0.00 C ATOM 1182 CG GLN A 76 6.240 -1.056 -9.496 1.00 0.00 C ATOM 1183 CD GLN A 76 7.389 -0.704 -10.443 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.555 -0.908 -10.149 1.00 0.00 O ATOM 1185 NE2 GLN A 76 6.996 -0.165 -11.594 1.00 0.00 N ATOM 0 H GLN A 76 4.171 -1.508 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 76 5.297 -4.179 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.705 -3.094 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.032 -2.651 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.372 -0.439 -9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.528 -0.830 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.003 -0.021 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.688 0.105 -12.293 1.00 0.00 H new ATOM 1194 N LYS A 77 6.264 -2.834 -5.983 1.00 0.00 N ATOM 1195 CA LYS A 77 7.247 -2.676 -4.925 1.00 0.00 C ATOM 1196 C LYS A 77 6.883 -3.593 -3.755 1.00 0.00 C ATOM 1197 O LYS A 77 7.742 -4.293 -3.221 1.00 0.00 O ATOM 1198 CB LYS A 77 7.380 -1.203 -4.533 1.00 0.00 C ATOM 1199 CG LYS A 77 7.872 -0.364 -5.714 1.00 0.00 C ATOM 1200 CD LYS A 77 9.343 0.017 -5.541 1.00 0.00 C ATOM 1201 CE LYS A 77 9.684 1.271 -6.348 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.135 1.555 -6.278 1.00 0.00 N ATOM 0 H LYS A 77 5.294 -2.841 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 77 8.234 -2.980 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.416 -0.826 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.075 -1.106 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.744 -0.924 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.267 0.538 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.556 0.190 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.977 -0.810 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.384 1.134 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.122 2.122 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.349 2.409 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.412 1.706 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.666 0.749 -6.667 1.00 0.00 H new ATOM 1216 N ILE A 78 5.609 -3.559 -3.392 1.00 0.00 N ATOM 1217 CA ILE A 78 5.122 -4.378 -2.296 1.00 0.00 C ATOM 1218 C ILE A 78 5.256 -5.855 -2.670 1.00 0.00 C ATOM 1219 O ILE A 78 5.531 -6.694 -1.813 1.00 0.00 O ATOM 1220 CB ILE A 78 3.699 -3.967 -1.912 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.725 -4.221 -3.065 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.657 -2.514 -1.436 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.767 -5.366 -2.731 1.00 0.00 C ATOM 0 H ILE A 78 4.900 -2.977 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 78 5.727 -4.219 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 78 3.378 -4.589 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.156 -3.315 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.282 -4.461 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.634 -2.248 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.301 -2.398 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.006 -1.859 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.086 -5.526 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.338 -6.277 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.194 -5.113 -1.839 1.00 0.00 H new ATOM 1235 N SER A 79 5.055 -6.129 -3.950 1.00 0.00 N ATOM 1236 CA SER A 79 5.150 -7.491 -4.448 1.00 0.00 C ATOM 1237 C SER A 79 6.396 -8.171 -3.877 1.00 0.00 C ATOM 1238 O SER A 79 6.300 -9.226 -3.252 1.00 0.00 O ATOM 1239 CB SER A 79 5.185 -7.517 -5.978 1.00 0.00 C ATOM 1240 OG SER A 79 6.394 -6.965 -6.494 1.00 0.00 O ATOM 0 H SER A 79 4.827 -5.431 -4.658 1.00 0.00 H new ATOM 0 HA SER A 79 4.264 -8.037 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.078 -8.545 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.335 -6.958 -6.370 1.00 0.00 H new ATOM 0 HG SER A 79 6.378 -7.001 -7.473 1.00 0.00 H new ATOM 1246 N HIS A 80 7.537 -7.539 -4.112 1.00 0.00 N ATOM 1247 CA HIS A 80 8.800 -8.070 -3.629 1.00 0.00 C ATOM 1248 C HIS A 80 8.667 -8.446 -2.152 1.00 0.00 C ATOM 1249 O HIS A 80 9.370 -9.331 -1.667 1.00 0.00 O ATOM 1250 CB HIS A 80 9.939 -7.083 -3.889 1.00 0.00 C ATOM 1251 CG HIS A 80 11.051 -7.641 -4.745 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.224 -8.149 -4.213 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.157 -7.766 -6.099 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.993 -8.558 -5.212 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.330 -8.319 -6.380 1.00 0.00 N ATOM 0 H HIS A 80 7.613 -6.664 -4.631 1.00 0.00 H new ATOM 0 HA HIS A 80 9.051 -8.978 -4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.533 -6.194 -4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.355 -6.764 -2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.412 -7.466 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.973 -9.003 -5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.678 -8.530 -7.315 1.00 0.00 H new ATOM 1263 N HIS A 81 7.760 -7.754 -1.477 1.00 0.00 N ATOM 1264 CA HIS A 81 7.526 -8.004 -0.065 1.00 0.00 C ATOM 1265 C HIS A 81 6.459 -9.088 0.094 1.00 0.00 C ATOM 1266 O HIS A 81 6.511 -9.882 1.032 1.00 0.00 O ATOM 1267 CB HIS A 81 7.168 -6.707 0.664 1.00 0.00 C ATOM 1268 CG HIS A 81 8.259 -5.664 0.636 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.396 -5.747 1.421 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.377 -4.516 -0.091 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.155 -4.691 1.171 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.522 -3.929 0.234 1.00 0.00 N ATOM 0 H HIS A 81 7.179 -7.020 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 81 8.440 -8.373 0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.267 -6.287 0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.929 -6.940 1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.660 -4.147 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.108 -4.472 1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.871 -3.052 -0.153 1.00 0.00 H new ATOM 1280 N LEU A 82 5.516 -9.087 -0.837 1.00 0.00 N ATOM 1281 CA LEU A 82 4.438 -10.061 -0.812 1.00 0.00 C ATOM 1282 C LEU A 82 5.031 -11.469 -0.730 1.00 0.00 C ATOM 1283 O LEU A 82 6.090 -11.735 -1.296 1.00 0.00 O ATOM 1284 CB LEU A 82 3.503 -9.856 -2.005 1.00 0.00 C ATOM 1285 CG LEU A 82 2.851 -8.476 -2.117 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.981 -8.382 -3.372 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.068 -8.135 -0.849 1.00 0.00 C ATOM 0 H LEU A 82 5.476 -8.427 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 82 3.820 -9.923 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.066 -10.045 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.714 -10.606 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 82 3.641 -7.731 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.529 -7.392 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.597 -8.550 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.196 -9.137 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.615 -7.149 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.287 -8.879 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.744 -8.134 0.006 1.00 0.00 H new ATOM 1299 N SER A 83 4.322 -12.335 -0.020 1.00 0.00 N ATOM 1300 CA SER A 83 4.765 -13.709 0.144 1.00 0.00 C ATOM 1301 C SER A 83 3.557 -14.648 0.172 1.00 0.00 C ATOM 1302 O SER A 83 2.433 -14.213 0.418 1.00 0.00 O ATOM 1303 CB SER A 83 5.594 -13.872 1.419 1.00 0.00 C ATOM 1304 OG SER A 83 5.252 -12.903 2.406 1.00 0.00 O ATOM 0 H SER A 83 3.444 -12.111 0.448 1.00 0.00 H new ATOM 0 HA SER A 83 5.399 -13.968 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.442 -14.872 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.653 -13.784 1.176 1.00 0.00 H new ATOM 0 HG SER A 83 5.802 -13.042 3.205 1.00 0.00 H new ATOM 1310 N PRO A 84 3.837 -15.952 -0.092 1.00 0.00 N ATOM 1311 CA PRO A 84 2.787 -16.957 -0.099 1.00 0.00 C ATOM 1312 C PRO A 84 2.349 -17.302 1.325 1.00 0.00 C ATOM 1313 O PRO A 84 3.172 -17.682 2.157 1.00 0.00 O ATOM 1314 CB PRO A 84 3.381 -18.142 -0.842 1.00 0.00 C ATOM 1315 CG PRO A 84 4.887 -17.938 -0.816 1.00 0.00 C ATOM 1316 CD PRO A 84 5.156 -16.504 -0.388 1.00 0.00 C ATOM 0 HA PRO A 84 1.878 -16.612 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.106 -19.081 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.011 -18.186 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.355 -18.637 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.315 -18.129 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.806 -16.467 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.653 -15.941 -1.179 1.00 0.00 H new ATOM 1324 N PRO A 85 1.019 -17.154 1.570 1.00 0.00 N ATOM 1325 CA PRO A 85 0.462 -17.446 2.879 1.00 0.00 C ATOM 1326 C PRO A 85 0.371 -18.956 3.112 1.00 0.00 C ATOM 1327 O PRO A 85 0.628 -19.744 2.204 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.895 -16.762 2.891 1.00 0.00 C ATOM 1329 CG PRO A 85 -1.246 -16.506 1.434 1.00 0.00 C ATOM 1330 CD PRO A 85 0.015 -16.706 0.609 1.00 0.00 C ATOM 0 HA PRO A 85 1.087 -17.078 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.646 -17.392 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.857 -15.829 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.030 -17.188 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.630 -15.494 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.139 -17.446 -0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.320 -15.780 0.120 1.00 0.00 H new