USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 29 CYS SG : rot 97:sc= -0.393 USER MOD Single : A 33 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-2.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 40 SER OG : rot 22:sc= 0.348! USER MOD Single : A 42 MET CE :methyl -155:sc= 0 (180deg=-0.67) USER MOD Single : A 43 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.071) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.144 (180deg=-1.01) USER MOD Single : A 53 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.5!) USER MOD Single : A 62 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.016) USER MOD Single : A 68 SER OG : rot 38:sc= -7.55! USER MOD Single : A 69 TYR OH : rot -15:sc= -0.335 USER MOD Single : A 79 ASN : amide:sc= -20.2! C(o=-20!,f=-22!) USER MOD Single : A 86 THR OG1 : rot -162:sc= -3.28! USER MOD Single : A 88 TYR OH : rot 120:sc= -1.81! USER MOD Single : A 90 SER OG : rot -140:sc= -1.21! USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= -0.696 (180deg=-0.765) USER MOD Single : A 95 THR OG1 : rot -123:sc= -1.52 USER MOD Single : A 97 TYR OH : rot -134:sc= 0.961 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -6.24! C(o=-6.2!,f=-4.3!) USER MOD Single : A 104 THR OG1 : rot 71:sc= -0.458! USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= -0.0961 (180deg=-0.402) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.270 13.648 6.001 1.00 0.00 N ATOM 109 CA ARG A 8 4.381 12.867 4.742 1.00 0.00 C ATOM 110 C ARG A 8 3.977 11.420 5.016 1.00 0.00 C ATOM 111 O ARG A 8 4.425 10.814 5.969 1.00 0.00 O ATOM 112 CB ARG A 8 5.856 12.960 4.346 1.00 0.00 C ATOM 113 CG ARG A 8 6.223 14.422 4.080 1.00 0.00 C ATOM 114 CD ARG A 8 5.512 14.908 2.815 1.00 0.00 C ATOM 115 NE ARG A 8 5.162 16.328 3.094 1.00 0.00 N ATOM 116 CZ ARG A 8 4.498 17.023 2.210 1.00 0.00 C ATOM 117 NH1 ARG A 8 5.139 17.659 1.266 1.00 0.00 N ATOM 118 NH2 ARG A 8 3.195 17.084 2.270 1.00 0.00 N ATOM 0 HA ARG A 8 3.735 13.240 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.483 12.556 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.043 12.359 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.936 15.040 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.302 14.521 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.159 14.825 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.621 14.314 2.610 1.00 0.00 H new ATOM 0 HE ARG A 8 5.441 16.758 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.157 17.612 1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.622 18.202 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.695 16.588 3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.678 17.627 1.579 1.00 0.00 H new ATOM 132 N LEU A 9 3.129 10.860 4.203 1.00 0.00 N ATOM 133 CA LEU A 9 2.705 9.462 4.440 1.00 0.00 C ATOM 134 C LEU A 9 3.644 8.514 3.705 1.00 0.00 C ATOM 135 O LEU A 9 4.445 8.930 2.892 1.00 0.00 O ATOM 136 CB LEU A 9 1.285 9.366 3.879 1.00 0.00 C ATOM 137 CG LEU A 9 0.284 9.863 4.921 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.619 10.923 4.290 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.571 8.691 5.408 1.00 0.00 C ATOM 0 H LEU A 9 2.714 11.311 3.388 1.00 0.00 H new ATOM 0 HA LEU A 9 2.731 9.191 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.202 9.960 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.060 8.335 3.608 1.00 0.00 H new ATOM 0 HG LEU A 9 0.821 10.295 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.334 11.280 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.011 11.758 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.156 10.488 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.285 9.046 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.110 8.259 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.072 7.933 5.855 1.00 0.00 H new ATOM 151 N ARG A 10 3.560 7.245 3.974 1.00 0.00 N ATOM 152 CA ARG A 10 4.459 6.297 3.271 1.00 0.00 C ATOM 153 C ARG A 10 3.665 5.094 2.764 1.00 0.00 C ATOM 154 O ARG A 10 3.276 4.226 3.519 1.00 0.00 O ATOM 155 CB ARG A 10 5.486 5.856 4.308 1.00 0.00 C ATOM 156 CG ARG A 10 6.714 6.766 4.234 1.00 0.00 C ATOM 157 CD ARG A 10 6.536 7.952 5.188 1.00 0.00 C ATOM 158 NE ARG A 10 7.079 7.484 6.494 1.00 0.00 N ATOM 159 CZ ARG A 10 6.665 8.030 7.605 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.941 9.280 7.861 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.979 7.325 8.462 1.00 0.00 N ATOM 0 H ARG A 10 2.914 6.826 4.644 1.00 0.00 H new ATOM 0 HA ARG A 10 4.935 6.758 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.050 5.897 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.777 4.821 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.611 6.205 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.852 7.125 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.073 8.830 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.487 8.234 5.275 1.00 0.00 H new ATOM 0 HE ARG A 10 7.774 6.738 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.480 9.830 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.617 9.706 8.729 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.766 6.347 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.655 7.751 9.330 1.00 0.00 H new ATOM 175 N VAL A 11 3.427 5.033 1.491 1.00 0.00 N ATOM 176 CA VAL A 11 2.658 3.882 0.939 1.00 0.00 C ATOM 177 C VAL A 11 3.607 2.743 0.569 1.00 0.00 C ATOM 178 O VAL A 11 4.052 2.637 -0.556 1.00 0.00 O ATOM 179 CB VAL A 11 1.954 4.426 -0.305 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.880 5.431 0.116 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.971 5.121 -1.211 1.00 0.00 C ATOM 0 H VAL A 11 3.729 5.726 0.806 1.00 0.00 H new ATOM 0 HA VAL A 11 1.946 3.480 1.660 1.00 0.00 H new ATOM 0 HB VAL A 11 1.492 3.601 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.378 5.819 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.151 4.937 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.345 6.254 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.466 5.507 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.436 5.945 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.737 4.407 -1.513 1.00 0.00 H new ATOM 191 N LEU A 12 3.925 1.885 1.504 1.00 0.00 N ATOM 192 CA LEU A 12 4.848 0.763 1.181 1.00 0.00 C ATOM 193 C LEU A 12 4.144 -0.185 0.224 1.00 0.00 C ATOM 194 O LEU A 12 3.432 -1.082 0.630 1.00 0.00 O ATOM 195 CB LEU A 12 5.135 0.056 2.507 1.00 0.00 C ATOM 196 CG LEU A 12 5.806 1.021 3.483 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.306 0.237 4.698 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.993 1.705 2.799 1.00 0.00 C ATOM 0 H LEU A 12 3.588 1.914 2.466 1.00 0.00 H new ATOM 0 HA LEU A 12 5.771 1.105 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.206 -0.320 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.779 -0.807 2.336 1.00 0.00 H new ATOM 0 HG LEU A 12 5.087 1.777 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.786 0.920 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.464 -0.252 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.025 -0.516 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.469 2.393 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.714 0.952 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.642 2.259 1.928 1.00 0.00 H new ATOM 210 N VAL A 13 4.327 0.014 -1.048 1.00 0.00 N ATOM 211 CA VAL A 13 3.654 -0.868 -2.030 1.00 0.00 C ATOM 212 C VAL A 13 4.679 -1.725 -2.771 1.00 0.00 C ATOM 213 O VAL A 13 5.696 -1.239 -3.226 1.00 0.00 O ATOM 214 CB VAL A 13 2.933 0.079 -2.994 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.858 -0.693 -3.756 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.273 1.217 -2.212 1.00 0.00 C ATOM 0 H VAL A 13 4.912 0.748 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 13 2.961 -1.560 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 13 3.658 0.494 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.344 -0.020 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.322 -1.502 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.139 -1.109 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.762 1.886 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.551 0.804 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.035 1.773 -1.666 1.00 0.00 H new ATOM 226 N VAL A 14 4.421 -3.000 -2.897 1.00 0.00 N ATOM 227 CA VAL A 14 5.384 -3.885 -3.609 1.00 0.00 C ATOM 228 C VAL A 14 4.644 -4.897 -4.499 1.00 0.00 C ATOM 229 O VAL A 14 3.476 -5.197 -4.292 1.00 0.00 O ATOM 230 CB VAL A 14 6.156 -4.606 -2.506 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.054 -3.614 -1.760 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.188 -5.254 -1.522 1.00 0.00 C ATOM 0 H VAL A 14 3.587 -3.464 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 14 6.043 -3.318 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 14 6.773 -5.380 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.601 -4.137 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.761 -3.167 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.440 -2.831 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.751 -5.765 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.558 -4.486 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.562 -5.975 -2.048 1.00 0.00 H new ATOM 242 N GLU A 15 5.313 -5.422 -5.498 1.00 0.00 N ATOM 243 CA GLU A 15 4.641 -6.400 -6.401 1.00 0.00 C ATOM 244 C GLU A 15 5.643 -7.081 -7.348 1.00 0.00 C ATOM 245 O GLU A 15 6.040 -8.208 -7.129 1.00 0.00 O ATOM 246 CB GLU A 15 3.648 -5.553 -7.187 1.00 0.00 C ATOM 247 CG GLU A 15 2.273 -6.207 -7.160 1.00 0.00 C ATOM 248 CD GLU A 15 1.242 -5.235 -7.740 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.533 -4.051 -7.783 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.179 -5.690 -8.129 1.00 0.00 O ATOM 0 H GLU A 15 6.286 -5.216 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 15 4.167 -7.210 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.592 -4.552 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.987 -5.442 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.285 -7.131 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.004 -6.474 -6.138 1.00 0.00 H new ATOM 257 N ASP A 16 6.042 -6.424 -8.411 1.00 0.00 N ATOM 258 CA ASP A 16 6.991 -7.065 -9.361 1.00 0.00 C ATOM 259 C ASP A 16 7.997 -6.059 -9.926 1.00 0.00 C ATOM 260 O ASP A 16 7.726 -5.377 -10.889 1.00 0.00 O ATOM 261 CB ASP A 16 6.114 -7.603 -10.485 1.00 0.00 C ATOM 262 CG ASP A 16 6.730 -8.883 -11.048 1.00 0.00 C ATOM 263 OD1 ASP A 16 7.490 -9.516 -10.334 1.00 0.00 O ATOM 264 OD2 ASP A 16 6.433 -9.205 -12.186 1.00 0.00 O ATOM 0 H ASP A 16 5.751 -5.478 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 16 7.577 -7.840 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.110 -7.804 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.017 -6.857 -11.273 1.00 0.00 H new ATOM 269 N GLU A 17 9.160 -6.001 -9.341 1.00 0.00 N ATOM 270 CA GLU A 17 10.245 -5.080 -9.816 1.00 0.00 C ATOM 271 C GLU A 17 9.736 -3.911 -10.681 1.00 0.00 C ATOM 272 O GLU A 17 9.474 -2.832 -10.188 1.00 0.00 O ATOM 273 CB GLU A 17 11.178 -5.974 -10.636 1.00 0.00 C ATOM 274 CG GLU A 17 12.303 -6.496 -9.739 1.00 0.00 C ATOM 275 CD GLU A 17 12.137 -8.002 -9.533 1.00 0.00 C ATOM 276 OE1 GLU A 17 11.350 -8.380 -8.680 1.00 0.00 O ATOM 277 OE2 GLU A 17 12.801 -8.754 -10.228 1.00 0.00 O ATOM 0 H GLU A 17 9.416 -6.566 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 17 10.729 -4.601 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.620 -6.809 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.596 -5.412 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.271 -6.285 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.283 -5.983 -8.778 1.00 0.00 H new ATOM 284 N SER A 18 9.653 -4.103 -11.975 1.00 0.00 N ATOM 285 CA SER A 18 9.230 -2.987 -12.885 1.00 0.00 C ATOM 286 C SER A 18 7.708 -2.800 -12.955 1.00 0.00 C ATOM 287 O SER A 18 7.231 -1.855 -13.550 1.00 0.00 O ATOM 288 CB SER A 18 9.763 -3.390 -14.259 1.00 0.00 C ATOM 289 OG SER A 18 9.030 -4.511 -14.739 1.00 0.00 O ATOM 0 H SER A 18 9.860 -4.985 -12.443 1.00 0.00 H new ATOM 0 HA SER A 18 9.618 -2.035 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.672 -2.557 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.823 -3.636 -14.193 1.00 0.00 H new ATOM 0 HG SER A 18 9.369 -4.770 -15.621 1.00 0.00 H new ATOM 295 N MET A 19 6.936 -3.668 -12.374 1.00 0.00 N ATOM 296 CA MET A 19 5.457 -3.487 -12.447 1.00 0.00 C ATOM 297 C MET A 19 5.001 -2.490 -11.382 1.00 0.00 C ATOM 298 O MET A 19 4.320 -1.524 -11.665 1.00 0.00 O ATOM 299 CB MET A 19 4.871 -4.872 -12.179 1.00 0.00 C ATOM 300 CG MET A 19 3.518 -5.000 -12.882 1.00 0.00 C ATOM 301 SD MET A 19 2.191 -4.612 -11.714 1.00 0.00 S ATOM 302 CE MET A 19 1.371 -3.348 -12.716 1.00 0.00 C ATOM 0 H MET A 19 7.255 -4.487 -11.857 1.00 0.00 H new ATOM 0 HA MET A 19 5.133 -3.094 -13.411 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.553 -5.643 -12.538 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.751 -5.026 -11.107 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.475 -4.324 -13.736 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.392 -6.011 -13.269 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.505 -2.962 -12.178 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.067 -2.533 -12.915 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.046 -3.786 -13.660 1.00 0.00 H new ATOM 312 N ILE A 20 5.381 -2.719 -10.162 1.00 0.00 N ATOM 313 CA ILE A 20 4.989 -1.797 -9.062 1.00 0.00 C ATOM 314 C ILE A 20 5.910 -0.581 -9.051 1.00 0.00 C ATOM 315 O ILE A 20 5.582 0.463 -8.524 1.00 0.00 O ATOM 316 CB ILE A 20 5.188 -2.627 -7.804 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.921 -1.775 -6.563 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.621 -3.139 -7.758 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.604 -2.209 -5.911 1.00 0.00 C ATOM 0 H ILE A 20 5.953 -3.513 -9.874 1.00 0.00 H new ATOM 0 HA ILE A 20 3.971 -1.421 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 20 4.492 -3.466 -7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.742 -1.882 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.872 -0.721 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.766 -3.734 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.815 -3.756 -8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.309 -2.294 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.417 -1.599 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.787 -2.079 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.670 -3.258 -5.621 1.00 0.00 H new ATOM 331 N ALA A 21 7.065 -0.720 -9.630 1.00 0.00 N ATOM 332 CA ALA A 21 8.035 0.405 -9.668 1.00 0.00 C ATOM 333 C ALA A 21 7.369 1.677 -10.210 1.00 0.00 C ATOM 334 O ALA A 21 6.811 2.460 -9.468 1.00 0.00 O ATOM 335 CB ALA A 21 9.123 -0.084 -10.616 1.00 0.00 C ATOM 0 H ALA A 21 7.383 -1.576 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 21 8.422 0.664 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.893 0.682 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.567 -0.997 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.689 -0.286 -11.595 1.00 0.00 H new ATOM 341 N MET A 22 7.422 1.892 -11.497 1.00 0.00 N ATOM 342 CA MET A 22 6.789 3.115 -12.072 1.00 0.00 C ATOM 343 C MET A 22 5.346 3.249 -11.571 1.00 0.00 C ATOM 344 O MET A 22 4.763 4.315 -11.602 1.00 0.00 O ATOM 345 CB MET A 22 6.815 2.900 -13.588 1.00 0.00 C ATOM 346 CG MET A 22 6.473 4.211 -14.298 1.00 0.00 C ATOM 347 SD MET A 22 4.972 3.988 -15.287 1.00 0.00 S ATOM 348 CE MET A 22 5.576 4.766 -16.805 1.00 0.00 C ATOM 0 H MET A 22 7.874 1.277 -12.173 1.00 0.00 H new ATOM 0 HA MET A 22 7.311 4.027 -11.782 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.800 2.552 -13.899 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.101 2.126 -13.868 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.325 5.005 -13.566 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.301 4.517 -14.938 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.794 4.738 -17.564 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.846 5.802 -16.600 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.452 4.228 -17.166 1.00 0.00 H new ATOM 358 N LEU A 23 4.767 2.169 -11.119 1.00 0.00 N ATOM 359 CA LEU A 23 3.359 2.216 -10.624 1.00 0.00 C ATOM 360 C LEU A 23 3.247 3.048 -9.336 1.00 0.00 C ATOM 361 O LEU A 23 2.193 3.560 -9.017 1.00 0.00 O ATOM 362 CB LEU A 23 3.000 0.745 -10.365 1.00 0.00 C ATOM 363 CG LEU A 23 1.721 0.621 -9.518 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.037 0.917 -8.048 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.643 1.593 -10.021 1.00 0.00 C ATOM 0 H LEU A 23 5.210 1.252 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 23 2.686 2.690 -11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.860 0.230 -11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.826 0.252 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 23 1.344 -0.398 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.127 0.827 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.778 0.205 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.431 1.929 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.253 1.490 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.014 2.616 -9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.402 1.364 -11.059 1.00 0.00 H new ATOM 377 N ILE A 24 4.310 3.184 -8.586 1.00 0.00 N ATOM 378 CA ILE A 24 4.219 3.981 -7.323 1.00 0.00 C ATOM 379 C ILE A 24 5.007 5.288 -7.433 1.00 0.00 C ATOM 380 O ILE A 24 4.567 6.329 -6.986 1.00 0.00 O ATOM 381 CB ILE A 24 4.818 3.090 -6.232 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.777 3.835 -4.896 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.269 2.738 -6.570 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.192 2.889 -3.768 1.00 0.00 C ATOM 0 H ILE A 24 5.226 2.784 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 24 3.188 4.259 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 24 4.237 2.170 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.446 4.695 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.773 4.218 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.682 2.104 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.302 2.206 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.857 3.653 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.162 3.421 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.506 2.043 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.204 2.528 -3.950 1.00 0.00 H new ATOM 396 N GLU A 25 6.172 5.245 -8.010 1.00 0.00 N ATOM 397 CA GLU A 25 6.988 6.487 -8.130 1.00 0.00 C ATOM 398 C GLU A 25 6.208 7.573 -8.871 1.00 0.00 C ATOM 399 O GLU A 25 6.564 8.734 -8.840 1.00 0.00 O ATOM 400 CB GLU A 25 8.223 6.070 -8.920 1.00 0.00 C ATOM 401 CG GLU A 25 9.173 5.316 -7.990 1.00 0.00 C ATOM 402 CD GLU A 25 10.461 6.122 -7.815 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.362 7.317 -7.590 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.524 5.531 -7.907 1.00 0.00 O ATOM 0 H GLU A 25 6.597 4.406 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 25 7.249 6.905 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.937 5.438 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.719 6.947 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.699 5.153 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.400 4.333 -8.403 1.00 0.00 H new ATOM 411 N ASP A 26 5.147 7.209 -9.534 1.00 0.00 N ATOM 412 CA ASP A 26 4.350 8.230 -10.269 1.00 0.00 C ATOM 413 C ASP A 26 3.334 8.884 -9.326 1.00 0.00 C ATOM 414 O ASP A 26 3.212 10.092 -9.282 1.00 0.00 O ATOM 415 CB ASP A 26 3.655 7.458 -11.398 1.00 0.00 C ATOM 416 CG ASP A 26 2.415 6.741 -10.857 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.579 5.846 -10.044 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.321 7.100 -11.264 1.00 0.00 O ATOM 0 H ASP A 26 4.798 6.253 -9.599 1.00 0.00 H new ATOM 0 HA ASP A 26 4.966 9.038 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.370 8.143 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.344 6.733 -11.832 1.00 0.00 H new ATOM 423 N THR A 27 2.616 8.107 -8.557 1.00 0.00 N ATOM 424 CA THR A 27 1.638 8.714 -7.615 1.00 0.00 C ATOM 425 C THR A 27 2.398 9.557 -6.593 1.00 0.00 C ATOM 426 O THR A 27 2.116 10.721 -6.394 1.00 0.00 O ATOM 427 CB THR A 27 0.933 7.542 -6.930 1.00 0.00 C ATOM 428 OG1 THR A 27 1.523 6.320 -7.347 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.551 7.551 -7.300 1.00 0.00 C ATOM 0 H THR A 27 2.666 7.088 -8.542 1.00 0.00 H new ATOM 0 HA THR A 27 0.918 9.360 -8.117 1.00 0.00 H new ATOM 0 HB THR A 27 1.036 7.640 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.071 5.571 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.053 6.716 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.002 8.487 -6.972 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.657 7.456 -8.381 1.00 0.00 H new ATOM 437 N LEU A 28 3.380 8.975 -5.962 1.00 0.00 N ATOM 438 CA LEU A 28 4.185 9.738 -4.971 1.00 0.00 C ATOM 439 C LEU A 28 4.780 10.969 -5.658 1.00 0.00 C ATOM 440 O LEU A 28 4.813 12.049 -5.103 1.00 0.00 O ATOM 441 CB LEU A 28 5.283 8.761 -4.534 1.00 0.00 C ATOM 442 CG LEU A 28 6.513 9.528 -4.039 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.174 8.752 -2.898 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.511 9.687 -5.188 1.00 0.00 C ATOM 0 H LEU A 28 3.659 8.002 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 28 3.606 10.093 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.908 8.113 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.559 8.117 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 28 6.207 10.511 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.049 9.298 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.465 8.636 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.479 7.769 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.387 10.233 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.816 8.703 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.043 10.239 -6.003 1.00 0.00 H new ATOM 456 N CYS A 29 5.239 10.812 -6.871 1.00 0.00 N ATOM 457 CA CYS A 29 5.817 11.972 -7.601 1.00 0.00 C ATOM 458 C CYS A 29 4.879 13.172 -7.472 1.00 0.00 C ATOM 459 O CYS A 29 5.306 14.304 -7.357 1.00 0.00 O ATOM 460 CB CYS A 29 5.912 11.519 -9.058 1.00 0.00 C ATOM 461 SG CYS A 29 7.653 11.319 -9.513 1.00 0.00 S ATOM 0 H CYS A 29 5.238 9.931 -7.385 1.00 0.00 H new ATOM 0 HA CYS A 29 6.789 12.273 -7.210 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.379 10.578 -9.193 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.436 12.252 -9.710 1.00 0.00 H new ATOM 0 HG CYS A 29 7.989 10.068 -9.402 1.00 0.00 H new ATOM 467 N GLU A 30 3.597 12.926 -7.491 1.00 0.00 N ATOM 468 CA GLU A 30 2.615 14.032 -7.371 1.00 0.00 C ATOM 469 C GLU A 30 2.153 14.183 -5.917 1.00 0.00 C ATOM 470 O GLU A 30 1.984 15.279 -5.420 1.00 0.00 O ATOM 471 CB GLU A 30 1.445 13.617 -8.263 1.00 0.00 C ATOM 472 CG GLU A 30 1.286 14.626 -9.401 1.00 0.00 C ATOM 473 CD GLU A 30 0.143 14.186 -10.320 1.00 0.00 C ATOM 474 OE1 GLU A 30 0.381 13.337 -11.163 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.950 14.705 -10.164 1.00 0.00 O ATOM 0 H GLU A 30 3.188 11.996 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 30 3.038 14.992 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.619 12.620 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.527 13.567 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.080 15.617 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.214 14.700 -9.968 1.00 0.00 H new ATOM 482 N LEU A 31 1.938 13.088 -5.233 1.00 0.00 N ATOM 483 CA LEU A 31 1.476 13.169 -3.814 1.00 0.00 C ATOM 484 C LEU A 31 2.547 13.828 -2.937 1.00 0.00 C ATOM 485 O LEU A 31 2.301 14.825 -2.288 1.00 0.00 O ATOM 486 CB LEU A 31 1.252 11.717 -3.389 1.00 0.00 C ATOM 487 CG LEU A 31 0.141 11.102 -4.240 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.268 9.579 -4.221 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.220 11.503 -3.668 1.00 0.00 C ATOM 0 H LEU A 31 2.062 12.143 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 31 0.573 13.771 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.173 11.146 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.983 11.673 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 31 0.228 11.463 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.524 9.140 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.238 9.290 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.181 9.219 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.013 11.065 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.305 11.141 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.313 12.589 -3.678 1.00 0.00 H new ATOM 501 N GLY A 32 3.736 13.286 -2.916 1.00 0.00 N ATOM 502 CA GLY A 32 4.814 13.897 -2.085 1.00 0.00 C ATOM 503 C GLY A 32 5.231 12.932 -0.971 1.00 0.00 C ATOM 504 O GLY A 32 6.122 13.222 -0.197 1.00 0.00 O ATOM 0 H GLY A 32 4.006 12.451 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.674 14.136 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.463 14.834 -1.653 1.00 0.00 H new ATOM 508 N HIS A 33 4.591 11.795 -0.880 1.00 0.00 N ATOM 509 CA HIS A 33 4.946 10.808 0.185 1.00 0.00 C ATOM 510 C HIS A 33 6.462 10.775 0.415 1.00 0.00 C ATOM 511 O HIS A 33 7.236 11.209 -0.415 1.00 0.00 O ATOM 512 CB HIS A 33 4.452 9.463 -0.349 1.00 0.00 C ATOM 513 CG HIS A 33 2.969 9.362 -0.129 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.118 8.748 -1.035 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.174 9.800 0.895 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.869 8.834 -0.539 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.847 9.466 0.637 1.00 0.00 N ATOM 0 H HIS A 33 3.834 11.506 -1.500 1.00 0.00 H new ATOM 0 HA HIS A 33 4.496 11.061 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.682 9.373 -1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.964 8.646 0.159 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.388 8.311 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.523 10.326 1.771 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.007 8.440 -1.032 1.00 0.00 H new ATOM 525 N GLU A 34 6.890 10.268 1.539 1.00 0.00 N ATOM 526 CA GLU A 34 8.354 10.217 1.826 1.00 0.00 C ATOM 527 C GLU A 34 8.964 8.915 1.296 1.00 0.00 C ATOM 528 O GLU A 34 9.637 8.203 2.013 1.00 0.00 O ATOM 529 CB GLU A 34 8.458 10.274 3.352 1.00 0.00 C ATOM 530 CG GLU A 34 9.412 11.399 3.759 1.00 0.00 C ATOM 531 CD GLU A 34 10.535 10.825 4.627 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.958 9.714 4.354 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.952 11.507 5.549 1.00 0.00 O ATOM 0 H GLU A 34 6.291 9.887 2.271 1.00 0.00 H new ATOM 0 HA GLU A 34 8.894 11.033 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.473 10.443 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.818 9.320 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.830 11.875 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.870 12.169 4.308 1.00 0.00 H new ATOM 540 N VAL A 35 8.735 8.597 0.049 1.00 0.00 N ATOM 541 CA VAL A 35 9.304 7.338 -0.517 1.00 0.00 C ATOM 542 C VAL A 35 8.882 6.146 0.342 1.00 0.00 C ATOM 543 O VAL A 35 9.328 5.984 1.460 1.00 0.00 O ATOM 544 CB VAL A 35 10.819 7.526 -0.468 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.509 6.193 -0.763 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.237 8.555 -1.520 1.00 0.00 C ATOM 0 H VAL A 35 8.180 9.153 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 35 8.955 7.144 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 35 11.109 7.875 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.590 6.327 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.211 5.456 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.219 5.844 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.318 8.691 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.946 8.203 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.745 9.506 -1.314 1.00 0.00 H new ATOM 556 N ALA A 36 8.021 5.309 -0.163 1.00 0.00 N ATOM 557 CA ALA A 36 7.578 4.146 0.641 1.00 0.00 C ATOM 558 C ALA A 36 8.224 2.855 0.125 1.00 0.00 C ATOM 559 O ALA A 36 9.409 2.645 0.298 1.00 0.00 O ATOM 560 CB ALA A 36 6.061 4.115 0.498 1.00 0.00 C ATOM 0 H ALA A 36 7.609 5.382 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 36 7.874 4.229 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.659 3.277 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.641 5.047 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.797 3.999 -0.553 1.00 0.00 H new ATOM 566 N ALA A 37 7.478 1.975 -0.495 1.00 0.00 N ATOM 567 CA ALA A 37 8.111 0.719 -0.983 1.00 0.00 C ATOM 568 C ALA A 37 7.872 0.528 -2.479 1.00 0.00 C ATOM 569 O ALA A 37 6.807 0.803 -2.998 1.00 0.00 O ATOM 570 CB ALA A 37 7.440 -0.402 -0.193 1.00 0.00 C ATOM 0 H ALA A 37 6.479 2.071 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 37 9.192 0.736 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.856 -1.362 -0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.617 -0.253 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.368 -0.393 -0.388 1.00 0.00 H new ATOM 576 N THR A 38 8.864 0.036 -3.163 1.00 0.00 N ATOM 577 CA THR A 38 8.736 -0.212 -4.625 1.00 0.00 C ATOM 578 C THR A 38 9.235 -1.626 -4.929 1.00 0.00 C ATOM 579 O THR A 38 10.116 -2.136 -4.266 1.00 0.00 O ATOM 580 CB THR A 38 9.623 0.840 -5.298 1.00 0.00 C ATOM 581 OG1 THR A 38 9.316 0.896 -6.684 1.00 0.00 O ATOM 582 CG2 THR A 38 11.094 0.469 -5.116 1.00 0.00 C ATOM 0 H THR A 38 9.771 -0.208 -2.766 1.00 0.00 H new ATOM 0 HA THR A 38 7.709 -0.139 -4.982 1.00 0.00 H new ATOM 0 HB THR A 38 9.440 1.813 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.881 1.570 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.721 1.220 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.330 0.426 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.282 -0.504 -5.569 1.00 0.00 H new ATOM 590 N ALA A 39 8.665 -2.277 -5.902 1.00 0.00 N ATOM 591 CA ALA A 39 9.099 -3.671 -6.209 1.00 0.00 C ATOM 592 C ALA A 39 8.693 -4.561 -5.041 1.00 0.00 C ATOM 593 O ALA A 39 7.998 -4.125 -4.152 1.00 0.00 O ATOM 594 CB ALA A 39 10.616 -3.601 -6.339 1.00 0.00 C ATOM 0 H ALA A 39 7.922 -1.909 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 39 8.651 -4.076 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.008 -4.593 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.881 -2.914 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.045 -3.246 -5.402 1.00 0.00 H new ATOM 600 N SER A 40 9.111 -5.793 -5.013 1.00 0.00 N ATOM 601 CA SER A 40 8.716 -6.651 -3.863 1.00 0.00 C ATOM 602 C SER A 40 9.937 -7.237 -3.179 1.00 0.00 C ATOM 603 O SER A 40 10.783 -7.865 -3.782 1.00 0.00 O ATOM 604 CB SER A 40 7.787 -7.723 -4.436 1.00 0.00 C ATOM 605 OG SER A 40 8.546 -8.650 -5.200 1.00 0.00 O ATOM 0 H SER A 40 9.697 -6.237 -5.720 1.00 0.00 H new ATOM 0 HA SER A 40 8.201 -6.083 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.269 -8.240 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.023 -7.261 -5.061 1.00 0.00 H new ATOM 0 HG SER A 40 9.484 -8.617 -4.917 1.00 0.00 H new ATOM 611 N ARG A 41 10.028 -6.988 -1.905 1.00 0.00 N ATOM 612 CA ARG A 41 11.178 -7.462 -1.116 1.00 0.00 C ATOM 613 C ARG A 41 10.701 -8.165 0.157 1.00 0.00 C ATOM 614 O ARG A 41 9.919 -7.629 0.916 1.00 0.00 O ATOM 615 CB ARG A 41 11.924 -6.179 -0.765 1.00 0.00 C ATOM 616 CG ARG A 41 13.169 -6.526 0.040 1.00 0.00 C ATOM 617 CD ARG A 41 13.958 -7.589 -0.718 1.00 0.00 C ATOM 618 NE ARG A 41 15.197 -7.789 0.086 1.00 0.00 N ATOM 619 CZ ARG A 41 16.077 -8.684 -0.274 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.511 -8.717 -1.504 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.524 -9.546 0.597 1.00 0.00 N ATOM 0 H ARG A 41 9.334 -6.463 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 41 11.795 -8.182 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.202 -5.646 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.279 -5.515 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.781 -5.637 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.891 -6.894 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.390 -8.515 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.192 -7.261 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 41 15.358 -7.225 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.163 -8.043 -2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.198 -9.417 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.186 -9.521 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.211 -10.245 0.316 1.00 0.00 H new ATOM 635 N MET A 42 11.170 -9.356 0.401 1.00 0.00 N ATOM 636 CA MET A 42 10.746 -10.080 1.629 1.00 0.00 C ATOM 637 C MET A 42 11.238 -9.334 2.871 1.00 0.00 C ATOM 638 O MET A 42 10.527 -9.187 3.845 1.00 0.00 O ATOM 639 CB MET A 42 11.407 -11.453 1.527 1.00 0.00 C ATOM 640 CG MET A 42 11.151 -12.033 0.136 1.00 0.00 C ATOM 641 SD MET A 42 11.345 -13.831 0.191 1.00 0.00 S ATOM 642 CE MET A 42 9.594 -14.243 0.381 1.00 0.00 C ATOM 0 H MET A 42 11.827 -9.858 -0.196 1.00 0.00 H new ATOM 0 HA MET A 42 9.662 -10.159 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.479 -11.368 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.007 -12.120 2.291 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.146 -11.774 -0.199 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.847 -11.603 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.499 -15.214 0.867 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.105 -13.483 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.121 -14.281 -0.600 1.00 0.00 H new ATOM 652 N GLN A 43 12.450 -8.852 2.839 1.00 0.00 N ATOM 653 CA GLN A 43 12.986 -8.107 4.011 1.00 0.00 C ATOM 654 C GLN A 43 12.045 -6.957 4.366 1.00 0.00 C ATOM 655 O GLN A 43 11.738 -6.723 5.519 1.00 0.00 O ATOM 656 CB GLN A 43 14.341 -7.572 3.547 1.00 0.00 C ATOM 657 CG GLN A 43 15.277 -7.445 4.749 1.00 0.00 C ATOM 658 CD GLN A 43 16.381 -6.435 4.432 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.549 -6.721 4.606 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.059 -5.257 3.972 1.00 0.00 N ATOM 0 H GLN A 43 13.092 -8.942 2.051 1.00 0.00 H new ATOM 0 HA GLN A 43 13.079 -8.731 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.774 -8.242 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.216 -6.602 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.717 -7.124 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.714 -8.415 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.078 -5.017 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.788 -4.576 3.758 1.00 0.00 H new ATOM 669 N GLU A 44 11.580 -6.240 3.380 1.00 0.00 N ATOM 670 CA GLU A 44 10.654 -5.109 3.652 1.00 0.00 C ATOM 671 C GLU A 44 9.333 -5.640 4.207 1.00 0.00 C ATOM 672 O GLU A 44 8.808 -5.127 5.175 1.00 0.00 O ATOM 673 CB GLU A 44 10.439 -4.438 2.298 1.00 0.00 C ATOM 674 CG GLU A 44 11.768 -3.878 1.790 1.00 0.00 C ATOM 675 CD GLU A 44 11.912 -2.421 2.232 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.358 -1.563 1.564 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.573 -2.188 3.230 1.00 0.00 O ATOM 0 H GLU A 44 11.803 -6.390 2.396 1.00 0.00 H new ATOM 0 HA GLU A 44 11.053 -4.412 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.038 -5.157 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.706 -3.637 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.596 -4.470 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.811 -3.945 0.703 1.00 0.00 H new ATOM 684 N ALA A 45 8.796 -6.672 3.608 1.00 0.00 N ATOM 685 CA ALA A 45 7.515 -7.238 4.115 1.00 0.00 C ATOM 686 C ALA A 45 7.572 -7.309 5.640 1.00 0.00 C ATOM 687 O ALA A 45 6.667 -6.884 6.331 1.00 0.00 O ATOM 688 CB ALA A 45 7.431 -8.637 3.508 1.00 0.00 C ATOM 0 H ALA A 45 9.189 -7.144 2.793 1.00 0.00 H new ATOM 0 HA ALA A 45 6.646 -6.637 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.511 -9.121 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.435 -8.563 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.287 -9.227 3.834 1.00 0.00 H new ATOM 694 N LEU A 46 8.648 -7.818 6.168 1.00 0.00 N ATOM 695 CA LEU A 46 8.788 -7.888 7.644 1.00 0.00 C ATOM 696 C LEU A 46 8.755 -6.466 8.203 1.00 0.00 C ATOM 697 O LEU A 46 7.990 -6.150 9.089 1.00 0.00 O ATOM 698 CB LEU A 46 10.152 -8.552 7.867 1.00 0.00 C ATOM 699 CG LEU A 46 10.763 -8.104 9.196 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.321 -9.323 9.932 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.900 -7.116 8.918 1.00 0.00 C ATOM 0 H LEU A 46 9.437 -8.189 5.639 1.00 0.00 H new ATOM 0 HA LEU A 46 7.994 -8.447 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.039 -9.636 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.824 -8.296 7.048 1.00 0.00 H new ATOM 0 HG LEU A 46 10.000 -7.624 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.757 -9.008 10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.516 -10.033 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.088 -9.798 9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.340 -6.793 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.663 -7.601 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.507 -6.250 8.385 1.00 0.00 H new ATOM 713 N ASP A 47 9.573 -5.601 7.670 1.00 0.00 N ATOM 714 CA ASP A 47 9.584 -4.192 8.152 1.00 0.00 C ATOM 715 C ASP A 47 8.159 -3.636 8.147 1.00 0.00 C ATOM 716 O ASP A 47 7.736 -2.975 9.075 1.00 0.00 O ATOM 717 CB ASP A 47 10.465 -3.438 7.153 1.00 0.00 C ATOM 718 CG ASP A 47 11.864 -3.250 7.745 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.962 -3.134 8.956 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.813 -3.227 6.979 1.00 0.00 O ATOM 0 H ASP A 47 10.234 -5.809 6.922 1.00 0.00 H new ATOM 0 HA ASP A 47 9.962 -4.098 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.527 -3.992 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.023 -2.469 6.922 1.00 0.00 H new ATOM 725 N ILE A 48 7.412 -3.911 7.111 1.00 0.00 N ATOM 726 CA ILE A 48 6.010 -3.410 7.049 1.00 0.00 C ATOM 727 C ILE A 48 5.092 -4.366 7.824 1.00 0.00 C ATOM 728 O ILE A 48 3.919 -4.117 8.002 1.00 0.00 O ATOM 729 CB ILE A 48 5.632 -3.317 5.547 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.910 -4.591 5.077 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.889 -3.106 4.693 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.831 -4.607 3.546 1.00 0.00 C ATOM 0 H ILE A 48 7.713 -4.461 6.306 1.00 0.00 H new ATOM 0 HA ILE A 48 5.901 -2.428 7.510 1.00 0.00 H new ATOM 0 HB ILE A 48 4.960 -2.467 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.442 -5.474 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.907 -4.630 5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.608 -3.043 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.382 -2.181 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.571 -3.944 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.319 -5.511 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.280 -3.732 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.838 -4.589 3.129 1.00 0.00 H new ATOM 744 N ALA A 49 5.618 -5.468 8.279 1.00 0.00 N ATOM 745 CA ALA A 49 4.779 -6.431 9.036 1.00 0.00 C ATOM 746 C ALA A 49 4.895 -6.185 10.546 1.00 0.00 C ATOM 747 O ALA A 49 3.925 -6.280 11.270 1.00 0.00 O ATOM 748 CB ALA A 49 5.327 -7.810 8.670 1.00 0.00 C ATOM 0 H ALA A 49 6.593 -5.742 8.158 1.00 0.00 H new ATOM 0 HA ALA A 49 3.722 -6.332 8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.757 -8.578 9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.241 -7.962 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.375 -7.874 8.963 1.00 0.00 H new ATOM 754 N ARG A 50 6.071 -5.883 11.034 1.00 0.00 N ATOM 755 CA ARG A 50 6.224 -5.651 12.498 1.00 0.00 C ATOM 756 C ARG A 50 6.207 -4.150 12.812 1.00 0.00 C ATOM 757 O ARG A 50 5.906 -3.745 13.917 1.00 0.00 O ATOM 758 CB ARG A 50 7.582 -6.255 12.905 1.00 0.00 C ATOM 759 CG ARG A 50 8.016 -7.366 11.939 1.00 0.00 C ATOM 760 CD ARG A 50 6.899 -8.401 11.785 1.00 0.00 C ATOM 761 NE ARG A 50 7.034 -9.293 12.971 1.00 0.00 N ATOM 762 CZ ARG A 50 5.972 -9.664 13.635 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.134 -10.514 13.105 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.747 -9.187 14.830 1.00 0.00 N ATOM 0 H ARG A 50 6.925 -5.788 10.485 1.00 0.00 H new ATOM 0 HA ARG A 50 5.403 -6.112 13.047 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.339 -5.471 12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.514 -6.657 13.916 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.261 -6.937 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.920 -7.849 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.919 -7.924 11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.005 -8.961 10.856 1.00 0.00 H new ATOM 0 HE ARG A 50 7.957 -9.614 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.309 -10.888 12.172 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.305 -10.804 13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.401 -8.524 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.917 -9.478 15.347 1.00 0.00 H new ATOM 778 N LYS A 51 6.540 -3.324 11.858 1.00 0.00 N ATOM 779 CA LYS A 51 6.557 -1.854 12.117 1.00 0.00 C ATOM 780 C LYS A 51 5.173 -1.347 12.523 1.00 0.00 C ATOM 781 O LYS A 51 5.039 -0.589 13.463 1.00 0.00 O ATOM 782 CB LYS A 51 6.984 -1.218 10.796 1.00 0.00 C ATOM 783 CG LYS A 51 6.784 0.298 10.879 1.00 0.00 C ATOM 784 CD LYS A 51 7.963 1.007 10.210 1.00 0.00 C ATOM 785 CE LYS A 51 9.103 1.163 11.219 1.00 0.00 C ATOM 786 NZ LYS A 51 8.630 2.203 12.176 1.00 0.00 N ATOM 0 H LYS A 51 6.801 -3.602 10.912 1.00 0.00 H new ATOM 0 HA LYS A 51 7.232 -1.603 12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.029 -1.448 10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.398 -1.630 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.852 0.580 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.703 0.608 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.303 0.435 9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.652 1.985 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.310 0.222 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.026 1.469 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.431 2.802 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.904 2.791 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.225 1.743 13.016 1.00 0.00 H new ATOM 800 N GLY A 52 4.146 -1.736 11.818 1.00 0.00 N ATOM 801 CA GLY A 52 2.787 -1.239 12.172 1.00 0.00 C ATOM 802 C GLY A 52 2.884 0.275 12.378 1.00 0.00 C ATOM 803 O GLY A 52 2.888 0.764 13.490 1.00 0.00 O ATOM 0 H GLY A 52 4.188 -2.370 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.076 -1.472 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.426 -1.726 13.078 1.00 0.00 H new ATOM 807 N GLN A 53 2.996 1.015 11.307 1.00 0.00 N ATOM 808 CA GLN A 53 3.134 2.501 11.420 1.00 0.00 C ATOM 809 C GLN A 53 3.502 3.103 10.052 1.00 0.00 C ATOM 810 O GLN A 53 3.282 4.270 9.795 1.00 0.00 O ATOM 811 CB GLN A 53 4.272 2.700 12.436 1.00 0.00 C ATOM 812 CG GLN A 53 4.956 4.051 12.216 1.00 0.00 C ATOM 813 CD GLN A 53 3.984 5.176 12.573 1.00 0.00 C ATOM 814 OE1 GLN A 53 2.950 4.935 13.164 1.00 0.00 O ATOM 815 NE2 GLN A 53 4.272 6.403 12.239 1.00 0.00 N ATOM 0 H GLN A 53 2.998 0.654 10.353 1.00 0.00 H new ATOM 0 HA GLN A 53 2.213 2.992 11.736 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.876 2.647 13.450 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.001 1.896 12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.853 4.121 12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.274 4.146 11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.140 6.606 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.630 7.160 12.474 1.00 0.00 H new ATOM 824 N PHE A 54 4.068 2.311 9.180 1.00 0.00 N ATOM 825 CA PHE A 54 4.476 2.801 7.817 1.00 0.00 C ATOM 826 C PHE A 54 3.275 3.223 6.948 1.00 0.00 C ATOM 827 O PHE A 54 3.276 3.013 5.752 1.00 0.00 O ATOM 828 CB PHE A 54 5.145 1.590 7.174 1.00 0.00 C ATOM 829 CG PHE A 54 4.238 0.391 7.336 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.096 0.254 6.536 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.530 -0.574 8.302 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.251 -0.849 6.704 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.688 -1.674 8.470 1.00 0.00 C ATOM 834 CZ PHE A 54 2.547 -1.813 7.672 1.00 0.00 C ATOM 0 H PHE A 54 4.271 1.326 9.352 1.00 0.00 H new ATOM 0 HA PHE A 54 5.113 3.682 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.335 1.780 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.111 1.399 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.868 1.000 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.409 -0.469 8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.371 -0.955 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.917 -2.419 9.217 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.896 -2.664 7.804 1.00 0.00 H new ATOM 844 N ASP A 55 2.270 3.825 7.518 1.00 0.00 N ATOM 845 CA ASP A 55 1.096 4.268 6.715 1.00 0.00 C ATOM 846 C ASP A 55 0.384 3.086 6.033 1.00 0.00 C ATOM 847 O ASP A 55 -0.768 2.848 6.305 1.00 0.00 O ATOM 848 CB ASP A 55 1.657 5.259 5.690 1.00 0.00 C ATOM 849 CG ASP A 55 0.693 5.394 4.507 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.460 5.718 4.743 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.124 5.172 3.388 1.00 0.00 O ATOM 0 H ASP A 55 2.211 4.031 8.515 1.00 0.00 H new ATOM 0 HA ASP A 55 0.335 4.728 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.809 6.232 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.631 4.919 5.339 1.00 0.00 H new ATOM 856 N ILE A 56 1.027 2.357 5.141 1.00 0.00 N ATOM 857 CA ILE A 56 0.297 1.224 4.460 1.00 0.00 C ATOM 858 C ILE A 56 1.253 0.146 3.897 1.00 0.00 C ATOM 859 O ILE A 56 2.456 0.308 3.898 1.00 0.00 O ATOM 860 CB ILE A 56 -0.454 1.914 3.324 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.635 2.696 3.919 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.942 0.869 2.321 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.773 2.836 2.909 1.00 0.00 C ATOM 0 H ILE A 56 1.998 2.490 4.860 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.349 0.689 5.156 1.00 0.00 H new ATOM 0 HB ILE A 56 0.204 2.606 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.999 2.187 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.299 3.685 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.478 1.364 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.087 0.329 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.609 0.168 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.593 3.394 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.414 3.368 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.124 1.846 2.617 1.00 0.00 H new ATOM 875 N ALA A 57 0.714 -0.972 3.425 1.00 0.00 N ATOM 876 CA ALA A 57 1.592 -2.069 2.886 1.00 0.00 C ATOM 877 C ALA A 57 0.901 -2.829 1.739 1.00 0.00 C ATOM 878 O ALA A 57 0.005 -3.607 1.967 1.00 0.00 O ATOM 879 CB ALA A 57 1.759 -3.001 4.081 1.00 0.00 C ATOM 0 H ALA A 57 -0.287 -1.165 3.393 1.00 0.00 H new ATOM 0 HA ALA A 57 2.530 -1.687 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.388 -3.845 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.227 -2.459 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.782 -3.366 4.397 1.00 0.00 H new ATOM 885 N ILE A 58 1.318 -2.647 0.514 1.00 0.00 N ATOM 886 CA ILE A 58 0.656 -3.391 -0.596 1.00 0.00 C ATOM 887 C ILE A 58 1.586 -4.465 -1.151 1.00 0.00 C ATOM 888 O ILE A 58 2.753 -4.236 -1.400 1.00 0.00 O ATOM 889 CB ILE A 58 0.338 -2.336 -1.648 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.894 -1.544 -1.209 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.060 -3.009 -2.995 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.443 -0.239 -0.547 1.00 0.00 C ATOM 0 H ILE A 58 2.077 -2.025 0.237 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.244 -3.910 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 58 1.190 -1.664 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.529 -1.329 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.490 -2.133 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.167 -2.248 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.938 -3.574 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.790 -3.684 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.317 0.330 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.175 -0.466 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.135 0.349 -1.259 1.00 0.00 H new ATOM 904 N ILE A 59 1.060 -5.637 -1.340 1.00 0.00 N ATOM 905 CA ILE A 59 1.869 -6.765 -1.869 1.00 0.00 C ATOM 906 C ILE A 59 0.972 -7.660 -2.723 1.00 0.00 C ATOM 907 O ILE A 59 0.479 -8.659 -2.261 1.00 0.00 O ATOM 908 CB ILE A 59 2.327 -7.539 -0.630 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.975 -6.587 0.376 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.328 -8.609 -1.040 1.00 0.00 C ATOM 911 CD1 ILE A 59 1.909 -6.068 1.342 1.00 0.00 C ATOM 0 H ILE A 59 0.085 -5.866 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 59 2.708 -6.431 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 59 1.461 -8.009 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.761 -7.103 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.446 -5.754 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.654 -9.160 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.858 -9.296 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.190 -8.139 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.369 -5.389 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.138 -5.537 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.459 -6.907 1.873 1.00 0.00 H new ATOM 923 N ASP A 60 0.735 -7.311 -3.950 1.00 0.00 N ATOM 924 CA ASP A 60 -0.160 -8.169 -4.791 1.00 0.00 C ATOM 925 C ASP A 60 0.184 -9.648 -4.608 1.00 0.00 C ATOM 926 O ASP A 60 1.329 -10.045 -4.695 1.00 0.00 O ATOM 927 CB ASP A 60 0.106 -7.740 -6.223 1.00 0.00 C ATOM 928 CG ASP A 60 -1.050 -8.186 -7.120 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.976 -8.790 -6.604 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.992 -7.914 -8.309 1.00 0.00 O ATOM 0 H ASP A 60 1.112 -6.482 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.208 -8.052 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.220 -6.657 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.041 -8.176 -6.575 1.00 0.00 H new ATOM 935 N VAL A 61 -0.799 -10.466 -4.354 1.00 0.00 N ATOM 936 CA VAL A 61 -0.523 -11.919 -4.163 1.00 0.00 C ATOM 937 C VAL A 61 -0.969 -12.725 -5.383 1.00 0.00 C ATOM 938 O VAL A 61 -1.471 -13.823 -5.261 1.00 0.00 O ATOM 939 CB VAL A 61 -1.329 -12.320 -2.931 1.00 0.00 C ATOM 940 CG1 VAL A 61 -2.814 -12.336 -3.283 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.897 -13.713 -2.471 1.00 0.00 C ATOM 0 H VAL A 61 -1.778 -10.194 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 61 0.542 -12.114 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.152 -11.603 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.393 -12.622 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.121 -11.343 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.990 -13.054 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.472 -14.000 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.075 -14.432 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.164 -13.701 -2.223 1.00 0.00 H new ATOM 951 N ASN A 62 -0.783 -12.193 -6.556 1.00 0.00 N ATOM 952 CA ASN A 62 -1.184 -12.943 -7.781 1.00 0.00 C ATOM 953 C ASN A 62 -0.553 -12.317 -9.023 1.00 0.00 C ATOM 954 O ASN A 62 -1.004 -12.526 -10.131 1.00 0.00 O ATOM 955 CB ASN A 62 -2.697 -12.827 -7.843 1.00 0.00 C ATOM 956 CG ASN A 62 -3.320 -14.225 -7.863 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.826 -15.133 -7.225 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.391 -14.439 -8.578 1.00 0.00 N ATOM 0 H ASN A 62 -0.372 -11.274 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.854 -13.981 -7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.064 -12.267 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.993 -12.273 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.812 -15.368 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.807 -13.677 -9.114 1.00 0.00 H new ATOM 965 N LEU A 63 0.489 -11.557 -8.852 1.00 0.00 N ATOM 966 CA LEU A 63 1.145 -10.931 -10.026 1.00 0.00 C ATOM 967 C LEU A 63 2.558 -11.480 -10.156 1.00 0.00 C ATOM 968 O LEU A 63 3.311 -11.499 -9.204 1.00 0.00 O ATOM 969 CB LEU A 63 1.165 -9.431 -9.731 1.00 0.00 C ATOM 970 CG LEU A 63 0.554 -8.681 -10.914 1.00 0.00 C ATOM 971 CD1 LEU A 63 -0.943 -8.986 -10.989 1.00 0.00 C ATOM 972 CD2 LEU A 63 0.758 -7.175 -10.727 1.00 0.00 C ATOM 0 H LEU A 63 0.914 -11.343 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 63 0.625 -11.137 -10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.604 -9.219 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.188 -9.095 -9.560 1.00 0.00 H new ATOM 0 HG LEU A 63 1.039 -9.000 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.381 -8.452 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.090 -10.058 -11.122 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.426 -8.666 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.322 -6.641 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.273 -6.854 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.824 -6.956 -10.671 1.00 0.00 H new ATOM 984 N ASP A 64 2.914 -11.946 -11.324 1.00 0.00 N ATOM 985 CA ASP A 64 4.276 -12.520 -11.536 1.00 0.00 C ATOM 986 C ASP A 64 4.353 -13.947 -10.975 1.00 0.00 C ATOM 987 O ASP A 64 5.274 -14.681 -11.275 1.00 0.00 O ATOM 988 CB ASP A 64 5.249 -11.591 -10.797 1.00 0.00 C ATOM 989 CG ASP A 64 6.627 -11.662 -11.458 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.697 -11.465 -12.659 1.00 0.00 O ATOM 991 OD2 ASP A 64 7.588 -11.914 -10.750 1.00 0.00 O ATOM 0 H ASP A 64 2.313 -11.954 -12.148 1.00 0.00 H new ATOM 0 HA ASP A 64 4.521 -12.585 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.877 -10.567 -10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.321 -11.883 -9.749 1.00 0.00 H new ATOM 996 N GLY A 65 3.395 -14.365 -10.178 1.00 0.00 N ATOM 997 CA GLY A 65 3.455 -15.758 -9.643 1.00 0.00 C ATOM 998 C GLY A 65 3.232 -15.772 -8.130 1.00 0.00 C ATOM 999 O GLY A 65 3.881 -16.501 -7.408 1.00 0.00 O ATOM 0 H GLY A 65 2.591 -13.812 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.699 -16.372 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.424 -16.200 -9.876 1.00 0.00 H new ATOM 1003 N GLU A 66 2.312 -14.993 -7.643 1.00 0.00 N ATOM 1004 CA GLU A 66 2.045 -14.991 -6.176 1.00 0.00 C ATOM 1005 C GLU A 66 3.306 -14.624 -5.385 1.00 0.00 C ATOM 1006 O GLU A 66 3.741 -15.377 -4.537 1.00 0.00 O ATOM 1007 CB GLU A 66 1.625 -16.429 -5.858 1.00 0.00 C ATOM 1008 CG GLU A 66 0.157 -16.456 -5.426 1.00 0.00 C ATOM 1009 CD GLU A 66 0.056 -16.896 -3.963 1.00 0.00 C ATOM 1010 OE1 GLU A 66 1.086 -16.964 -3.313 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -1.050 -17.156 -3.518 1.00 0.00 O ATOM 0 H GLU A 66 1.733 -14.358 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 66 1.285 -14.259 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.768 -17.062 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.254 -16.835 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.286 -15.468 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.406 -17.140 -6.061 1.00 0.00 H new ATOM 1018 N PRO A 67 3.850 -13.472 -5.678 1.00 0.00 N ATOM 1019 CA PRO A 67 5.062 -13.005 -4.970 1.00 0.00 C ATOM 1020 C PRO A 67 4.684 -12.313 -3.653 1.00 0.00 C ATOM 1021 O PRO A 67 5.414 -11.484 -3.145 1.00 0.00 O ATOM 1022 CB PRO A 67 5.673 -12.004 -5.942 1.00 0.00 C ATOM 1023 CG PRO A 67 4.531 -11.508 -6.781 1.00 0.00 C ATOM 1024 CD PRO A 67 3.400 -12.509 -6.686 1.00 0.00 C ATOM 0 HA PRO A 67 5.741 -13.815 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.153 -11.183 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.438 -12.474 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.202 -10.529 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.846 -11.388 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.468 -12.029 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.217 -12.994 -7.645 1.00 0.00 H new ATOM 1032 N SER A 68 3.545 -12.642 -3.103 1.00 0.00 N ATOM 1033 CA SER A 68 3.109 -12.004 -1.826 1.00 0.00 C ATOM 1034 C SER A 68 3.584 -12.824 -0.627 1.00 0.00 C ATOM 1035 O SER A 68 3.183 -12.595 0.496 1.00 0.00 O ATOM 1036 CB SER A 68 1.587 -12.015 -1.901 1.00 0.00 C ATOM 1037 OG SER A 68 1.142 -10.807 -2.493 1.00 0.00 O ATOM 0 H SER A 68 2.895 -13.329 -3.485 1.00 0.00 H new ATOM 0 HA SER A 68 3.518 -11.001 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.246 -12.869 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.162 -12.123 -0.903 1.00 0.00 H new ATOM 0 HG SER A 68 1.758 -10.547 -3.210 1.00 0.00 H new ATOM 1043 N TYR A 69 4.434 -13.782 -0.860 1.00 0.00 N ATOM 1044 CA TYR A 69 4.937 -14.635 0.255 1.00 0.00 C ATOM 1045 C TYR A 69 3.760 -15.191 1.065 1.00 0.00 C ATOM 1046 O TYR A 69 2.623 -14.766 0.914 1.00 0.00 O ATOM 1047 CB TYR A 69 5.840 -13.758 1.155 1.00 0.00 C ATOM 1048 CG TYR A 69 6.003 -12.353 0.606 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.887 -12.114 -0.449 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.270 -11.291 1.156 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.040 -10.819 -0.952 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.423 -9.997 0.655 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.308 -9.760 -0.402 1.00 0.00 C ATOM 1054 OH TYR A 69 6.462 -8.483 -0.900 1.00 0.00 O ATOM 0 H TYR A 69 4.806 -14.014 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 69 5.504 -15.479 -0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.413 -13.708 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.820 -14.226 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.452 -12.930 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.585 -11.475 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.724 -10.635 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.859 -9.181 1.082 1.00 0.00 H new ATOM 0 HH TYR A 69 7.271 -8.442 -1.451 1.00 0.00 H new ATOM 1064 N PRO A 70 4.077 -16.127 1.909 1.00 0.00 N ATOM 1065 CA PRO A 70 3.048 -16.757 2.760 1.00 0.00 C ATOM 1066 C PRO A 70 2.557 -15.758 3.803 1.00 0.00 C ATOM 1067 O PRO A 70 1.653 -16.037 4.565 1.00 0.00 O ATOM 1068 CB PRO A 70 3.786 -17.922 3.416 1.00 0.00 C ATOM 1069 CG PRO A 70 5.226 -17.524 3.388 1.00 0.00 C ATOM 1070 CD PRO A 70 5.414 -16.674 2.159 1.00 0.00 C ATOM 0 HA PRO A 70 2.167 -17.084 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.440 -18.085 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.622 -18.852 2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.492 -16.969 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.870 -18.403 3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.145 -15.883 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.770 -17.264 1.314 1.00 0.00 H new ATOM 1078 N VAL A 71 3.143 -14.590 3.845 1.00 0.00 N ATOM 1079 CA VAL A 71 2.687 -13.592 4.847 1.00 0.00 C ATOM 1080 C VAL A 71 1.579 -12.717 4.270 1.00 0.00 C ATOM 1081 O VAL A 71 0.461 -12.819 4.710 1.00 0.00 O ATOM 1082 CB VAL A 71 3.907 -12.764 5.278 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.670 -13.524 6.363 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.835 -12.508 4.091 1.00 0.00 C ATOM 0 H VAL A 71 3.906 -14.290 3.238 1.00 0.00 H new ATOM 0 HA VAL A 71 2.264 -14.090 5.719 1.00 0.00 H new ATOM 0 HB VAL A 71 3.562 -11.804 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.537 -12.942 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.017 -13.688 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.000 -14.485 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.692 -11.920 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.181 -13.460 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.295 -11.961 3.318 1.00 0.00 H new ATOM 1094 N ALA A 72 1.837 -11.885 3.281 1.00 0.00 N ATOM 1095 CA ALA A 72 0.717 -11.075 2.711 1.00 0.00 C ATOM 1096 C ALA A 72 -0.502 -11.973 2.616 1.00 0.00 C ATOM 1097 O ALA A 72 -1.630 -11.563 2.805 1.00 0.00 O ATOM 1098 CB ALA A 72 1.183 -10.711 1.324 1.00 0.00 C ATOM 0 H ALA A 72 2.752 -11.737 2.856 1.00 0.00 H new ATOM 0 HA ALA A 72 0.466 -10.195 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.419 -10.112 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.107 -10.137 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.360 -11.620 0.750 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.248 -13.223 2.355 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.340 -14.213 2.276 1.00 0.00 C ATOM 1106 C ASP A 73 -1.985 -14.355 3.651 1.00 0.00 C ATOM 1107 O ASP A 73 -3.185 -14.246 3.824 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.619 -15.497 1.926 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.491 -15.622 0.407 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.491 -15.910 -0.229 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.605 -15.429 -0.093 1.00 0.00 O ATOM 0 H ASP A 73 0.686 -13.600 2.192 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.121 -13.947 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.369 -15.507 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.165 -16.352 2.326 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.165 -14.600 4.631 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.671 -14.758 6.021 1.00 0.00 C ATOM 1118 C ILE A 74 -2.080 -13.396 6.571 1.00 0.00 C ATOM 1119 O ILE A 74 -3.112 -13.248 7.201 1.00 0.00 O ATOM 1120 CB ILE A 74 -0.497 -15.334 6.814 1.00 0.00 C ATOM 1121 CG1 ILE A 74 -0.334 -16.817 6.471 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -0.773 -15.183 8.312 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.939 -17.360 7.123 1.00 0.00 C ATOM 0 H ILE A 74 -0.155 -14.699 4.528 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.545 -15.407 6.078 1.00 0.00 H new ATOM 0 HB ILE A 74 0.417 -14.798 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.201 -17.378 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.284 -16.947 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.063 -15.593 8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.893 -14.127 8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.685 -15.721 8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.052 -18.416 6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.802 -16.807 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.871 -17.245 8.205 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.293 -12.388 6.312 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.653 -11.035 6.790 1.00 0.00 C ATOM 1137 C LEU A 75 -3.122 -10.803 6.455 1.00 0.00 C ATOM 1138 O LEU A 75 -3.880 -10.282 7.240 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.742 -10.092 6.002 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.283 -8.947 6.904 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.716 -9.478 7.933 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.386 -7.869 6.051 1.00 0.00 C ATOM 0 H LEU A 75 -0.419 -12.448 5.790 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.527 -10.887 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.122 -10.638 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.274 -9.696 5.137 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.143 -8.521 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.044 -8.662 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.239 -10.249 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.578 -9.902 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.715 -7.050 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.247 -8.295 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.326 -7.492 5.317 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.526 -11.233 5.293 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.946 -11.084 4.885 1.00 0.00 C ATOM 1156 C ALA A 76 -5.849 -11.869 5.841 1.00 0.00 C ATOM 1157 O ALA A 76 -6.869 -11.384 6.287 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.006 -11.684 3.480 1.00 0.00 C ATOM 0 H ALA A 76 -2.926 -11.685 4.603 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.283 -10.048 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.025 -11.616 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.334 -11.134 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.702 -12.730 3.518 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.483 -13.083 6.151 1.00 0.00 N ATOM 1165 CA GLU A 77 -6.324 -13.906 7.073 1.00 0.00 C ATOM 1166 C GLU A 77 -6.684 -13.115 8.339 1.00 0.00 C ATOM 1167 O GLU A 77 -7.681 -13.382 8.982 1.00 0.00 O ATOM 1168 CB GLU A 77 -5.462 -15.123 7.419 1.00 0.00 C ATOM 1169 CG GLU A 77 -5.546 -16.149 6.285 1.00 0.00 C ATOM 1170 CD GLU A 77 -6.226 -17.421 6.793 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.630 -18.100 7.611 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -7.332 -17.695 6.354 1.00 0.00 O ATOM 0 H GLU A 77 -4.639 -13.542 5.807 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.269 -14.193 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.427 -14.817 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.803 -15.569 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.107 -15.735 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.547 -16.381 5.916 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.890 -12.142 8.701 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.201 -11.338 9.921 1.00 0.00 C ATOM 1181 C ARG A 78 -5.844 -9.859 9.695 1.00 0.00 C ATOM 1182 O ARG A 78 -6.692 -8.991 9.748 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.364 -11.952 11.053 1.00 0.00 C ATOM 1184 CG ARG A 78 -3.940 -12.261 10.569 1.00 0.00 C ATOM 1185 CD ARG A 78 -3.589 -13.715 10.899 1.00 0.00 C ATOM 1186 NE ARG A 78 -3.798 -13.837 12.366 1.00 0.00 N ATOM 1187 CZ ARG A 78 -4.192 -14.971 12.875 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -3.709 -16.094 12.416 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -5.071 -14.981 13.840 1.00 0.00 N ATOM 0 H ARG A 78 -5.041 -11.869 8.206 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.263 -11.363 10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.325 -11.264 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.839 -12.866 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.866 -12.093 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.229 -11.587 11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.226 -14.409 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.559 -13.944 10.627 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.633 -13.034 12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.024 -16.084 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.016 -16.982 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.449 -14.103 14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.380 -15.867 14.239 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.603 -9.576 9.412 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.178 -8.177 9.141 1.00 0.00 C ATOM 1205 C ASN A 79 -4.434 -7.237 10.327 1.00 0.00 C ATOM 1206 O ASN A 79 -5.163 -7.545 11.248 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.998 -7.767 7.933 1.00 0.00 C ATOM 1208 CG ASN A 79 -4.111 -7.827 6.690 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -2.914 -7.644 6.776 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -4.651 -8.069 5.528 1.00 0.00 N ATOM 0 H ASN A 79 -3.855 -10.267 9.357 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.103 -8.114 8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.855 -8.430 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.390 -6.759 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.068 -8.104 4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.657 -8.223 5.455 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.800 -6.092 10.293 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.932 -5.079 11.390 1.00 0.00 C ATOM 1219 C VAL A 80 -4.043 -3.677 10.728 1.00 0.00 C ATOM 1220 O VAL A 80 -4.617 -3.596 9.666 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.646 -5.274 12.211 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.932 -4.986 13.684 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.155 -6.726 12.088 1.00 0.00 C ATOM 0 H VAL A 80 -3.181 -5.809 9.533 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.808 -5.181 12.031 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.884 -4.593 11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.020 -5.124 14.265 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.280 -3.959 13.793 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.700 -5.669 14.046 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.244 -6.853 12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.923 -7.403 12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.949 -6.953 11.042 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.495 -2.606 11.306 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.597 -1.292 10.610 1.00 0.00 C ATOM 1235 C PRO A 81 -2.693 -1.351 9.377 1.00 0.00 C ATOM 1236 O PRO A 81 -1.522 -1.649 9.486 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.113 -0.280 11.640 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.244 -1.060 12.569 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.763 -2.478 12.582 1.00 0.00 C ATOM 0 HA PRO A 81 -4.597 -1.030 10.265 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.558 0.530 11.167 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.950 0.174 12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.206 -1.033 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.270 -0.632 13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.949 -3.200 12.649 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.417 -2.655 13.436 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.239 -1.123 8.207 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.446 -1.241 6.962 1.00 0.00 C ATOM 1249 C PHE A 82 -3.394 -1.190 5.769 1.00 0.00 C ATOM 1250 O PHE A 82 -4.543 -0.820 5.871 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.853 -2.661 7.010 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.915 -3.653 6.563 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.214 -3.556 7.079 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.617 -4.633 5.613 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.211 -4.437 6.658 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.620 -5.514 5.184 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.916 -5.415 5.708 1.00 0.00 C ATOM 0 H PHE A 82 -4.214 -0.857 8.069 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.696 -0.455 6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.979 -2.727 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.519 -2.896 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.445 -2.794 7.808 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.618 -4.712 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.208 -4.362 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.393 -6.271 4.448 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.686 -6.096 5.376 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.932 -1.671 4.666 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.792 -1.754 3.474 1.00 0.00 C ATOM 1269 C ILE A 83 -3.174 -2.759 2.525 1.00 0.00 C ATOM 1270 O ILE A 83 -2.004 -3.045 2.624 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.833 -0.348 2.912 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.266 0.161 2.998 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.369 -0.323 1.448 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.206 -0.856 2.352 1.00 0.00 C ATOM 0 H ILE A 83 -1.981 -2.016 4.537 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.809 -2.092 3.672 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.161 0.287 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.545 0.320 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.352 1.124 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.409 0.699 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.346 -0.694 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.022 -0.957 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.232 -0.493 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.931 -0.993 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.127 -1.809 2.876 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.942 -3.308 1.631 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.359 -4.329 0.711 1.00 0.00 C ATOM 1288 C PHE A 84 -4.173 -4.496 -0.576 1.00 0.00 C ATOM 1289 O PHE A 84 -5.318 -4.077 -0.697 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.416 -5.613 1.539 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.598 -6.721 0.897 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.103 -7.411 -0.213 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.343 -7.077 1.422 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.363 -8.439 -0.802 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.607 -8.109 0.828 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.118 -8.790 -0.283 1.00 0.00 C ATOM 0 H PHE A 84 -4.932 -3.102 1.495 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.358 -4.053 0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.042 -5.417 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.452 -5.936 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.070 -7.147 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.948 -6.556 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.756 -8.963 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.359 -8.381 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.548 -9.587 -0.738 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.592 -5.146 -1.537 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.320 -5.396 -2.796 1.00 0.00 C ATOM 1308 C ALA A 85 -3.832 -6.709 -3.410 1.00 0.00 C ATOM 1309 O ALA A 85 -2.654 -7.004 -3.403 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.990 -4.225 -3.711 1.00 0.00 C ATOM 0 H ALA A 85 -2.642 -5.515 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.396 -5.480 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.502 -4.353 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.317 -3.296 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.914 -4.187 -3.880 1.00 0.00 H new ATOM 1316 N THR A 86 -4.718 -7.501 -3.937 1.00 0.00 N ATOM 1317 CA THR A 86 -4.283 -8.794 -4.543 1.00 0.00 C ATOM 1318 C THR A 86 -5.120 -9.098 -5.783 1.00 0.00 C ATOM 1319 O THR A 86 -6.280 -8.753 -5.845 1.00 0.00 O ATOM 1320 CB THR A 86 -4.510 -9.868 -3.468 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.901 -11.081 -4.095 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.609 -9.436 -2.491 1.00 0.00 C ATOM 0 H THR A 86 -5.720 -7.314 -3.977 1.00 0.00 H new ATOM 0 HA THR A 86 -3.239 -8.760 -4.853 1.00 0.00 H new ATOM 0 HB THR A 86 -3.582 -10.007 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.317 -11.672 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.753 -10.212 -1.739 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.317 -8.506 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.540 -9.282 -3.036 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.533 -9.745 -6.762 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.280 -10.085 -8.012 1.00 0.00 C ATOM 1332 C GLY A 87 -6.735 -10.404 -7.675 1.00 0.00 C ATOM 1333 O GLY A 87 -7.635 -10.154 -8.452 1.00 0.00 O ATOM 0 H GLY A 87 -3.561 -10.054 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.234 -9.251 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.815 -10.940 -8.503 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.973 -10.946 -6.514 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.366 -11.273 -6.115 1.00 0.00 C ATOM 1339 C TYR A 88 -9.177 -9.984 -5.891 1.00 0.00 C ATOM 1340 O TYR A 88 -10.231 -9.803 -6.468 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.216 -12.061 -4.815 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.514 -12.030 -4.053 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.728 -12.146 -4.736 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.503 -11.875 -2.665 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.933 -12.111 -4.028 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -10.705 -11.841 -1.958 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.923 -11.957 -2.638 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.113 -11.924 -1.940 1.00 0.00 O ATOM 0 H TYR A 88 -6.259 -11.177 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.899 -11.840 -6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.935 -13.091 -5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.417 -11.634 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.735 -12.263 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.564 -11.782 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.872 -12.203 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.696 -11.725 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.133 -12.659 -1.292 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.699 -9.083 -5.068 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.465 -7.822 -4.839 1.00 0.00 C ATOM 1360 C GLY A 89 -9.852 -7.684 -3.360 1.00 0.00 C ATOM 1361 O GLY A 89 -10.777 -6.973 -3.021 1.00 0.00 O ATOM 0 H GLY A 89 -7.823 -9.165 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.865 -6.965 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.363 -7.819 -5.457 1.00 0.00 H new ATOM 1365 N SER A 90 -9.150 -8.342 -2.475 1.00 0.00 N ATOM 1366 CA SER A 90 -9.476 -8.227 -1.017 1.00 0.00 C ATOM 1367 C SER A 90 -10.797 -8.937 -0.682 1.00 0.00 C ATOM 1368 O SER A 90 -11.835 -8.632 -1.234 1.00 0.00 O ATOM 1369 CB SER A 90 -9.604 -6.724 -0.756 1.00 0.00 C ATOM 1370 OG SER A 90 -8.811 -6.015 -1.699 1.00 0.00 O ATOM 0 H SER A 90 -8.365 -8.955 -2.696 1.00 0.00 H new ATOM 0 HA SER A 90 -8.709 -8.695 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.647 -6.417 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.280 -6.490 0.258 1.00 0.00 H new ATOM 0 HG SER A 90 -8.367 -5.263 -1.254 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.764 -9.867 0.242 1.00 0.00 N ATOM 1377 CA LYS A 91 -12.013 -10.582 0.643 1.00 0.00 C ATOM 1378 C LYS A 91 -12.819 -9.703 1.607 1.00 0.00 C ATOM 1379 O LYS A 91 -13.805 -10.123 2.180 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.535 -11.844 1.371 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.941 -11.445 2.723 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.141 -12.610 3.302 1.00 0.00 C ATOM 1383 CE LYS A 91 -9.973 -12.406 4.810 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.250 -13.617 5.286 1.00 0.00 N ATOM 0 H LYS A 91 -9.922 -10.161 0.736 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.649 -10.816 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.367 -12.534 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.789 -12.365 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.297 -10.573 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.738 -11.162 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.653 -13.552 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.165 -12.671 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.408 -11.499 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.939 -12.304 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.232 -13.624 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.737 -14.469 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.275 -13.605 4.923 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.376 -8.496 1.806 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.057 -7.570 2.746 1.00 0.00 C ATOM 1400 C GLY A 92 -11.966 -6.731 3.397 1.00 0.00 C ATOM 1401 O GLY A 92 -12.018 -5.519 3.409 1.00 0.00 O ATOM 0 H GLY A 92 -11.553 -8.105 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.770 -6.937 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.619 -8.125 3.497 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.952 -7.386 3.899 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.806 -6.666 4.521 1.00 0.00 C ATOM 1407 C LEU A 93 -10.287 -5.606 5.519 1.00 0.00 C ATOM 1408 O LEU A 93 -10.862 -4.601 5.154 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.084 -6.025 3.340 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.624 -5.798 3.706 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.734 -6.137 2.510 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -7.442 -4.334 4.082 1.00 0.00 C ATOM 0 H LEU A 93 -10.870 -8.403 3.903 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.160 -7.331 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.155 -6.668 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.557 -5.078 3.080 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.346 -6.437 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.690 -5.973 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.879 -7.181 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.998 -5.498 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.400 -4.153 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.715 -3.704 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.080 -4.095 4.933 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.049 -5.829 6.782 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.490 -4.846 7.816 1.00 0.00 C ATOM 1426 C ASP A 94 -9.288 -4.129 8.428 1.00 0.00 C ATOM 1427 O ASP A 94 -8.196 -4.659 8.470 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.210 -5.689 8.865 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.185 -6.474 9.684 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.645 -7.432 9.157 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.958 -6.105 10.825 1.00 0.00 O ATOM 0 H ASP A 94 -9.567 -6.651 7.145 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.131 -4.068 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.799 -5.047 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.905 -6.374 8.381 1.00 0.00 H new ATOM 1436 N THR A 95 -9.482 -2.932 8.911 1.00 0.00 N ATOM 1437 CA THR A 95 -8.347 -2.185 9.524 1.00 0.00 C ATOM 1438 C THR A 95 -8.789 -0.786 9.947 1.00 0.00 C ATOM 1439 O THR A 95 -9.863 -0.332 9.608 1.00 0.00 O ATOM 1440 CB THR A 95 -7.298 -2.080 8.417 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.222 -1.270 8.858 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.930 -1.463 7.168 1.00 0.00 C ATOM 0 H THR A 95 -10.375 -2.440 8.908 1.00 0.00 H new ATOM 0 HA THR A 95 -7.969 -2.687 10.415 1.00 0.00 H new ATOM 0 HB THR A 95 -6.924 -3.075 8.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.100 -0.522 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.181 -1.389 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.753 -2.092 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.307 -0.468 7.405 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.954 -0.090 10.668 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.316 1.291 11.087 1.00 0.00 C ATOM 1452 C ARG A 96 -8.237 2.225 9.877 1.00 0.00 C ATOM 1453 O ARG A 96 -8.547 3.396 9.962 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.272 1.682 12.136 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.529 0.909 13.432 1.00 0.00 C ATOM 1456 CD ARG A 96 -8.278 1.807 14.419 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.242 2.725 14.966 1.00 0.00 N ATOM 1458 CZ ARG A 96 -7.574 3.654 15.825 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -8.816 3.781 16.208 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -6.665 4.460 16.296 1.00 0.00 N ATOM 0 H ARG A 96 -7.041 -0.417 10.984 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.328 1.356 11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.270 1.466 11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.317 2.754 12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.113 0.012 13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.585 0.581 13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.074 2.361 13.922 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.744 1.221 15.211 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.271 2.629 14.670 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.531 3.155 15.837 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.071 4.506 16.878 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.695 4.366 15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.923 5.185 16.966 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.821 1.711 8.747 1.00 0.00 N ATOM 1475 CA TYR A 97 -7.720 2.569 7.532 1.00 0.00 C ATOM 1476 C TYR A 97 -9.091 2.693 6.859 1.00 0.00 C ATOM 1477 O TYR A 97 -9.245 3.378 5.867 1.00 0.00 O ATOM 1478 CB TYR A 97 -6.720 1.845 6.627 1.00 0.00 C ATOM 1479 CG TYR A 97 -5.323 1.977 7.198 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.122 2.486 8.491 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -4.229 1.566 6.438 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -3.825 2.580 9.011 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -2.936 1.659 6.956 1.00 0.00 C ATOM 1484 CZ TYR A 97 -2.732 2.162 8.245 1.00 0.00 C ATOM 1485 OH TYR A 97 -1.453 2.254 8.758 1.00 0.00 O ATOM 0 H TYR A 97 -7.548 0.737 8.615 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.395 3.585 7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.990 0.792 6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.754 2.266 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.967 2.805 9.084 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.383 1.174 5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.669 2.975 10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -2.092 1.342 6.361 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.858 2.644 8.084 1.00 0.00 H new ATOM 1495 N SER A 98 -10.086 2.038 7.400 1.00 0.00 N ATOM 1496 CA SER A 98 -11.454 2.117 6.815 1.00 0.00 C ATOM 1497 C SER A 98 -11.452 1.606 5.376 1.00 0.00 C ATOM 1498 O SER A 98 -12.268 2.005 4.571 1.00 0.00 O ATOM 1499 CB SER A 98 -11.822 3.599 6.859 1.00 0.00 C ATOM 1500 OG SER A 98 -11.809 4.045 8.208 1.00 0.00 O ATOM 0 H SER A 98 -10.007 1.448 8.228 1.00 0.00 H new ATOM 0 HA SER A 98 -12.169 1.504 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.116 4.179 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.808 3.754 6.422 1.00 0.00 H new ATOM 0 HG SER A 98 -12.043 4.996 8.240 1.00 0.00 H new ATOM 1506 N ASN A 99 -10.546 0.724 5.046 1.00 0.00 N ATOM 1507 CA ASN A 99 -10.503 0.192 3.659 1.00 0.00 C ATOM 1508 C ASN A 99 -10.327 1.348 2.672 1.00 0.00 C ATOM 1509 O ASN A 99 -11.164 2.216 2.561 1.00 0.00 O ATOM 1510 CB ASN A 99 -11.853 -0.497 3.472 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.751 -1.964 3.898 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.647 -2.485 4.532 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -10.696 -2.661 3.575 1.00 0.00 N ATOM 0 H ASN A 99 -9.837 0.352 5.678 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.675 -0.495 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.615 0.010 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.163 -0.433 2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.626 -3.639 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.942 -2.227 3.043 1.00 0.00 H new ATOM 1520 N ILE A 100 -9.230 1.368 1.970 1.00 0.00 N ATOM 1521 CA ILE A 100 -8.975 2.478 1.001 1.00 0.00 C ATOM 1522 C ILE A 100 -8.414 1.903 -0.336 1.00 0.00 C ATOM 1523 O ILE A 100 -9.209 1.442 -1.131 1.00 0.00 O ATOM 1524 CB ILE A 100 -8.041 3.460 1.749 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -7.270 2.734 2.867 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -8.897 4.550 2.391 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -5.874 3.332 3.034 1.00 0.00 C ATOM 0 H ILE A 100 -8.495 0.663 2.023 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.871 3.017 0.691 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.330 3.881 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.820 2.812 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.191 1.673 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.254 5.251 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.451 5.081 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.598 4.097 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.345 2.805 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.321 3.230 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.959 4.388 3.292 1.00 0.00 H new ATOM 1539 N PRO A 101 -7.104 1.885 -0.587 1.00 0.00 N ATOM 1540 CA PRO A 101 -6.623 1.289 -1.869 1.00 0.00 C ATOM 1541 C PRO A 101 -6.694 -0.232 -1.804 1.00 0.00 C ATOM 1542 O PRO A 101 -5.760 -0.921 -2.167 1.00 0.00 O ATOM 1543 CB PRO A 101 -5.170 1.709 -1.963 1.00 0.00 C ATOM 1544 CG PRO A 101 -4.751 1.950 -0.555 1.00 0.00 C ATOM 1545 CD PRO A 101 -5.976 2.378 0.217 1.00 0.00 C ATOM 0 HA PRO A 101 -7.221 1.615 -2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.563 0.932 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.057 2.608 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.322 1.046 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.981 2.721 -0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.984 1.949 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.014 3.461 0.334 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.777 -0.765 -1.338 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.881 -2.236 -1.247 1.00 0.00 C ATOM 1555 C LEU A 102 -8.476 -2.804 -2.530 1.00 0.00 C ATOM 1556 O LEU A 102 -9.626 -2.600 -2.841 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.764 -2.503 -0.019 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.257 -2.411 -0.370 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.071 -2.662 0.896 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.602 -1.013 -0.906 1.00 0.00 C ATOM 0 H LEU A 102 -8.594 -0.247 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.912 -2.722 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.543 -3.493 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.528 -1.783 0.764 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.488 -3.151 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.134 -2.600 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.842 -3.654 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.819 -1.911 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.664 -0.968 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.371 -0.265 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.016 -0.812 -1.803 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.691 -3.515 -3.289 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.225 -4.085 -4.569 1.00 0.00 C ATOM 1574 C LEU A 103 -7.083 -4.646 -5.426 1.00 0.00 C ATOM 1575 O LEU A 103 -6.080 -5.106 -4.921 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.891 -2.901 -5.307 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.341 -3.224 -5.741 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.564 -4.735 -5.873 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.324 -2.657 -4.713 1.00 0.00 C ATOM 0 H LEU A 103 -6.714 -3.728 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.924 -4.899 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.894 -2.026 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.299 -2.644 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.509 -2.766 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.593 -4.926 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.882 -5.139 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.376 -5.216 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.344 -2.886 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.130 -3.105 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.198 -1.576 -4.647 1.00 0.00 H new ATOM 1591 N THR A 104 -7.234 -4.601 -6.726 1.00 0.00 N ATOM 1592 CA THR A 104 -6.173 -5.114 -7.630 1.00 0.00 C ATOM 1593 C THR A 104 -6.129 -4.278 -8.910 1.00 0.00 C ATOM 1594 O THR A 104 -6.196 -3.065 -8.869 1.00 0.00 O ATOM 1595 CB THR A 104 -6.572 -6.557 -7.938 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.728 -7.073 -8.959 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.029 -6.608 -8.405 1.00 0.00 C ATOM 0 H THR A 104 -8.056 -4.226 -7.199 1.00 0.00 H new ATOM 0 HA THR A 104 -5.182 -5.059 -7.180 1.00 0.00 H new ATOM 0 HB THR A 104 -6.465 -7.159 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.827 -7.212 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.305 -7.640 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.676 -6.216 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.144 -6.004 -9.305 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.021 -4.911 -10.046 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.981 -4.147 -11.323 1.00 0.00 C ATOM 1607 C LYS A 105 -4.797 -3.178 -11.325 1.00 0.00 C ATOM 1608 O LYS A 105 -4.204 -2.921 -10.296 1.00 0.00 O ATOM 1609 CB LYS A 105 -7.308 -3.387 -11.362 1.00 0.00 C ATOM 1610 CG LYS A 105 -8.457 -4.373 -11.155 1.00 0.00 C ATOM 1611 CD LYS A 105 -9.294 -3.932 -9.956 1.00 0.00 C ATOM 1612 CE LYS A 105 -10.683 -3.509 -10.438 1.00 0.00 C ATOM 1613 NZ LYS A 105 -11.071 -2.375 -9.553 1.00 0.00 N ATOM 0 H LYS A 105 -5.959 -5.924 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.855 -4.792 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.325 -2.621 -10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.420 -2.875 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.078 -4.418 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.064 -5.376 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.378 -4.747 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.807 -3.103 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.661 -3.203 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.395 -4.331 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.774 -1.781 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.480 -2.746 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.230 -1.805 -9.331 1.00 0.00 H new ATOM 1627 N PRO A 106 -4.488 -2.671 -12.487 1.00 0.00 N ATOM 1628 CA PRO A 106 -3.359 -1.717 -12.626 1.00 0.00 C ATOM 1629 C PRO A 106 -3.667 -0.391 -11.919 1.00 0.00 C ATOM 1630 O PRO A 106 -3.602 0.667 -12.510 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.239 -1.524 -14.137 1.00 0.00 C ATOM 1632 CG PRO A 106 -4.591 -1.861 -14.673 1.00 0.00 C ATOM 1633 CD PRO A 106 -5.149 -2.929 -13.772 1.00 0.00 C ATOM 0 HA PRO A 106 -2.437 -2.081 -12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.960 -0.500 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.473 -2.174 -14.559 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.236 -0.983 -14.680 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -4.524 -2.216 -15.701 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.233 -2.857 -13.687 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.924 -3.928 -14.146 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.986 -0.442 -10.652 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.281 0.811 -9.900 1.00 0.00 C ATOM 1643 C PHE A 107 -5.114 1.778 -10.756 1.00 0.00 C ATOM 1644 O PHE A 107 -6.201 1.451 -11.190 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.905 1.398 -9.582 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.196 0.513 -8.586 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.758 -0.761 -8.967 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.979 0.967 -7.281 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.102 -1.580 -8.040 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.323 0.148 -6.355 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.884 -1.125 -6.735 1.00 0.00 C ATOM 0 H PHE A 107 -4.055 -1.300 -10.105 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.867 0.629 -8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.314 1.482 -10.494 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.012 2.405 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.926 -1.112 -9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.318 1.950 -6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.764 -2.563 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.156 0.499 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.377 -1.757 -6.021 1.00 0.00 H new ATOM 1661 N LEU A 108 -4.623 2.969 -10.997 1.00 0.00 N ATOM 1662 CA LEU A 108 -5.400 3.943 -11.815 1.00 0.00 C ATOM 1663 C LEU A 108 -6.828 4.060 -11.259 1.00 0.00 C ATOM 1664 O LEU A 108 -7.050 4.703 -10.250 1.00 0.00 O ATOM 1665 CB LEU A 108 -5.373 3.372 -13.237 1.00 0.00 C ATOM 1666 CG LEU A 108 -5.667 4.488 -14.241 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -6.911 5.266 -13.807 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.470 5.435 -14.293 1.00 0.00 C ATOM 0 H LEU A 108 -3.720 3.305 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.986 4.951 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.399 2.930 -13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.112 2.576 -13.335 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.844 4.055 -15.225 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.114 6.059 -14.527 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.765 4.590 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.742 5.704 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.669 6.235 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.302 5.864 -13.305 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.583 4.884 -14.605 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.800 3.442 -11.883 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.187 3.531 -11.351 1.00 0.00 C ATOM 1682 C ASP A 109 -9.204 3.052 -9.897 1.00 0.00 C ATOM 1683 O ASP A 109 -10.139 3.285 -9.160 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.015 2.602 -12.238 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.475 2.641 -11.787 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.052 3.715 -11.811 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.990 1.597 -11.422 1.00 0.00 O ATOM 0 H ASP A 109 -7.691 2.885 -12.731 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.580 4.548 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.936 2.910 -13.281 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.631 1.584 -12.177 1.00 0.00 H new ATOM 1692 N SER A 110 -8.169 2.381 -9.486 1.00 0.00 N ATOM 1693 CA SER A 110 -8.097 1.881 -8.089 1.00 0.00 C ATOM 1694 C SER A 110 -7.459 2.939 -7.186 1.00 0.00 C ATOM 1695 O SER A 110 -8.043 3.377 -6.215 1.00 0.00 O ATOM 1696 CB SER A 110 -7.191 0.665 -8.188 1.00 0.00 C ATOM 1697 OG SER A 110 -7.762 -0.413 -7.458 1.00 0.00 O ATOM 0 H SER A 110 -7.360 2.155 -10.065 1.00 0.00 H new ATOM 0 HA SER A 110 -9.075 1.650 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.058 0.381 -9.232 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.203 0.902 -7.794 1.00 0.00 H new ATOM 0 HG SER A 110 -7.179 -1.198 -7.523 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.257 3.340 -7.506 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.548 4.362 -6.680 1.00 0.00 C ATOM 1705 C GLU A 111 -6.523 5.423 -6.167 1.00 0.00 C ATOM 1706 O GLU A 111 -6.406 5.896 -5.053 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.530 4.994 -7.627 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.680 6.006 -6.857 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.075 5.330 -5.626 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.925 4.120 -5.652 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.771 6.035 -4.677 1.00 0.00 O ATOM 0 H GLU A 111 -5.731 3.000 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.080 3.918 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.893 4.223 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.042 5.487 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.889 6.395 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.292 6.856 -6.555 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.484 5.808 -6.962 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.445 6.844 -6.480 1.00 0.00 C ATOM 1720 C LEU A 112 -9.014 6.428 -5.129 1.00 0.00 C ATOM 1721 O LEU A 112 -9.394 7.251 -4.321 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.555 6.935 -7.527 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.112 5.552 -7.868 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.972 5.037 -6.712 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -10.978 5.674 -9.124 1.00 0.00 C ATOM 0 H LEU A 112 -7.645 5.459 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.959 7.811 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.358 7.571 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.168 7.406 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.291 4.856 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.365 4.052 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.365 4.967 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.800 5.725 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.384 4.696 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.797 6.369 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.371 6.044 -9.950 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.068 5.154 -4.873 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.603 4.687 -3.570 1.00 0.00 C ATOM 1739 C GLU A 113 -8.542 4.871 -2.496 1.00 0.00 C ATOM 1740 O GLU A 113 -8.834 5.007 -1.324 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.895 3.199 -3.769 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.211 2.850 -3.078 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.817 1.601 -3.722 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.493 0.513 -3.277 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.597 1.755 -4.647 1.00 0.00 O ATOM 0 H GLU A 113 -8.765 4.417 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.491 5.237 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.956 2.967 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.084 2.599 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.040 2.676 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.907 3.685 -3.157 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.306 4.856 -2.898 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.197 5.003 -1.925 1.00 0.00 C ATOM 1754 C ALA A 114 -6.155 6.400 -1.323 1.00 0.00 C ATOM 1755 O ALA A 114 -5.702 6.589 -0.212 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.935 4.753 -2.740 1.00 0.00 C ATOM 0 H ALA A 114 -7.015 4.747 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.311 4.314 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.061 4.843 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.970 3.750 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.869 5.487 -3.543 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.594 7.388 -2.042 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.531 8.765 -1.472 1.00 0.00 C ATOM 1764 C VAL A 115 -7.930 9.340 -1.241 1.00 0.00 C ATOM 1765 O VAL A 115 -8.176 10.001 -0.251 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.755 9.633 -2.482 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.319 9.819 -1.994 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.732 8.979 -3.870 1.00 0.00 C ATOM 0 H VAL A 115 -6.987 7.311 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.035 8.748 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.257 10.598 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.769 10.433 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.326 10.311 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.836 8.846 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.178 9.613 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.249 8.004 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.753 8.854 -4.230 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.849 9.111 -2.136 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.215 9.669 -1.935 1.00 0.00 C ATOM 1780 C LEU A 116 -10.874 9.011 -0.725 1.00 0.00 C ATOM 1781 O LEU A 116 -11.670 9.613 -0.033 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.983 9.331 -3.209 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.429 9.801 -3.060 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.456 11.323 -2.911 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -13.227 9.392 -4.299 1.00 0.00 C ATOM 0 H LEU A 116 -8.717 8.568 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.196 10.743 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.517 9.814 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.954 8.257 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.873 9.343 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.487 11.660 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.887 11.612 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.013 11.783 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -14.259 9.727 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.785 9.850 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.206 8.307 -4.403 1.00 0.00 H new