USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ -170:sc= 0.00777 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.9!) USER MOD Set 2.1: A 89 ASN : amide:sc= -6.41! C(o=-13!,f=-17!) USER MOD Set 2.2: A 108 SER OG : rot -114:sc= -6.68! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 75:sc= 0.373 USER MOD Single : A 81 THR OG1 : rot -139:sc= 0.684 USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= -0.293 (180deg=-1.31) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.645! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.35) USER MOD Single : A 107 ASN : amide:sc= -12.2! C(o=-12!,f=-22!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 115 SER OG : rot -140:sc= -1.83 USER MOD Single : A 117 MET CE :methyl 173:sc= -3.8! (180deg=-4.18!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.495 -11.249 6.549 1.00 0.00 N ATOM 70 CA PRO A 9 -11.252 -10.559 6.242 1.00 0.00 C ATOM 71 C PRO A 9 -10.221 -10.767 7.353 1.00 0.00 C ATOM 72 O PRO A 9 -10.577 -11.105 8.480 1.00 0.00 O ATOM 73 CB PRO A 9 -11.646 -9.102 6.063 1.00 0.00 C ATOM 74 CG PRO A 9 -13.005 -8.953 6.729 1.00 0.00 C ATOM 75 CD PRO A 9 -13.559 -10.346 6.976 1.00 0.00 C ATOM 0 HA PRO A 9 -10.769 -10.941 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.912 -8.440 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.698 -8.838 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.912 -8.407 7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.681 -8.381 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.805 -10.493 8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.474 -10.515 6.408 1.00 0.00 H new ATOM 80 N LYS A 10 -8.963 -10.555 6.995 1.00 0.00 N ATOM 81 CA LYS A 10 -7.877 -10.715 7.947 1.00 0.00 C ATOM 82 C LYS A 10 -7.617 -9.380 8.645 1.00 0.00 C ATOM 83 O LYS A 10 -7.869 -8.317 8.076 1.00 0.00 O ATOM 84 CB LYS A 10 -6.643 -11.300 7.258 1.00 0.00 C ATOM 85 CG LYS A 10 -5.524 -11.562 8.268 1.00 0.00 C ATOM 86 CD LYS A 10 -4.554 -12.626 7.750 1.00 0.00 C ATOM 87 CE LYS A 10 -3.111 -12.121 7.795 1.00 0.00 C ATOM 88 NZ LYS A 10 -2.217 -13.156 8.361 1.00 0.00 N ATOM 0 H LYS A 10 -8.672 -10.274 6.059 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.151 -11.432 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.909 -12.230 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.291 -10.612 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.983 -10.636 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.954 -11.887 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.645 -13.530 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.817 -12.896 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.781 -11.856 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.055 -11.215 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.241 -12.797 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.523 -13.389 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.257 -14.011 7.770 1.00 0.00 H new ATOM 98 N THR A 11 -7.114 -9.475 9.867 1.00 0.00 N ATOM 99 CA THR A 11 -6.816 -8.287 10.650 1.00 0.00 C ATOM 100 C THR A 11 -5.449 -8.422 11.322 1.00 0.00 C ATOM 101 O THR A 11 -5.157 -9.440 11.949 1.00 0.00 O ATOM 102 CB THR A 11 -7.963 -8.073 11.639 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.137 -8.255 10.854 1.00 0.00 O ATOM 104 CG2 THR A 11 -8.056 -6.624 12.122 1.00 0.00 C ATOM 0 H THR A 11 -6.905 -10.357 10.335 1.00 0.00 H new ATOM 0 HA THR A 11 -6.746 -7.402 10.017 1.00 0.00 H new ATOM 0 HB THR A 11 -7.831 -8.733 12.496 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.929 -8.135 11.418 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.886 -6.526 12.822 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.127 -6.346 12.620 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.221 -5.966 11.269 1.00 0.00 H new ATOM 112 N VAL A 12 -4.646 -7.378 11.171 1.00 0.00 N ATOM 113 CA VAL A 12 -3.315 -7.366 11.758 1.00 0.00 C ATOM 114 C VAL A 12 -3.000 -5.959 12.269 1.00 0.00 C ATOM 115 O VAL A 12 -3.081 -4.990 11.516 1.00 0.00 O ATOM 116 CB VAL A 12 -2.292 -7.878 10.743 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.110 -9.393 10.861 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.688 -7.484 9.318 1.00 0.00 C ATOM 0 H VAL A 12 -4.891 -6.535 10.651 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.268 -8.039 12.614 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.335 -7.407 10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.377 -9.730 10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.760 -9.640 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.063 -9.889 10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.944 -7.860 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.661 -7.913 9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.741 -6.398 9.242 1.00 0.00 H new ATOM 128 N THR A 13 -2.647 -5.893 13.544 1.00 0.00 N ATOM 129 CA THR A 13 -2.319 -4.620 14.164 1.00 0.00 C ATOM 130 C THR A 13 -0.803 -4.452 14.266 1.00 0.00 C ATOM 131 O THR A 13 -0.069 -5.437 14.332 1.00 0.00 O ATOM 132 CB THR A 13 -3.030 -4.556 15.516 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.387 -4.871 15.211 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.096 -3.133 16.076 1.00 0.00 C ATOM 0 H THR A 13 -2.581 -6.700 14.165 1.00 0.00 H new ATOM 0 HA THR A 13 -2.667 -3.783 13.558 1.00 0.00 H new ATOM 0 HB THR A 13 -2.516 -5.203 16.227 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.920 -4.854 16.033 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.611 -3.144 17.037 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.085 -2.747 16.210 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.639 -2.493 15.381 1.00 0.00 H new ATOM 142 N LEU A 14 -0.377 -3.197 14.276 1.00 0.00 N ATOM 143 CA LEU A 14 1.040 -2.887 14.369 1.00 0.00 C ATOM 144 C LEU A 14 1.244 -1.754 15.376 1.00 0.00 C ATOM 145 O LEU A 14 0.325 -0.978 15.638 1.00 0.00 O ATOM 146 CB LEU A 14 1.617 -2.591 12.983 1.00 0.00 C ATOM 147 CG LEU A 14 1.408 -3.676 11.924 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.065 -3.498 11.213 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.577 -3.712 10.939 1.00 0.00 C ATOM 0 H LEU A 14 -0.989 -2.383 14.221 1.00 0.00 H new ATOM 0 HA LEU A 14 1.595 -3.748 14.741 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.175 -1.664 12.617 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.687 -2.414 13.087 1.00 0.00 H new ATOM 0 HG LEU A 14 1.380 -4.643 12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.058 -4.282 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.743 -3.561 11.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.038 -2.524 10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.404 -4.491 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.661 -2.747 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.501 -3.923 11.478 1.00 0.00 H new ATOM 160 N LYS A 15 2.455 -1.693 15.912 1.00 0.00 N ATOM 161 CA LYS A 15 2.791 -0.665 16.884 1.00 0.00 C ATOM 162 C LYS A 15 4.117 -0.014 16.492 1.00 0.00 C ATOM 163 O LYS A 15 5.159 -0.670 16.487 1.00 0.00 O ATOM 164 CB LYS A 15 2.785 -1.246 18.299 1.00 0.00 C ATOM 165 CG LYS A 15 1.447 -1.919 18.611 1.00 0.00 C ATOM 166 CD LYS A 15 1.174 -1.926 20.117 1.00 0.00 C ATOM 167 CE LYS A 15 -0.328 -1.973 20.401 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.622 -1.398 21.733 1.00 0.00 N ATOM 0 H LYS A 15 3.214 -2.338 15.692 1.00 0.00 H new ATOM 0 HA LYS A 15 2.037 0.122 16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.593 -1.970 18.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.974 -0.453 19.022 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.643 -1.395 18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.454 -2.942 18.234 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.661 -2.787 20.575 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.606 -1.035 20.573 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.867 -1.419 19.632 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.680 -3.004 20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.646 -1.438 21.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.123 -1.943 22.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.304 -0.408 21.762 1.00 0.00 H new ATOM 178 N ARG A 16 4.040 1.270 16.172 1.00 0.00 N ATOM 179 CA ARG A 16 5.222 2.017 15.780 1.00 0.00 C ATOM 180 C ARG A 16 6.420 1.604 16.637 1.00 0.00 C ATOM 181 O ARG A 16 6.440 1.849 17.843 1.00 0.00 O ATOM 182 CB ARG A 16 4.995 3.523 15.925 1.00 0.00 C ATOM 183 CG ARG A 16 6.226 4.309 15.468 1.00 0.00 C ATOM 184 CD ARG A 16 5.840 5.386 14.450 1.00 0.00 C ATOM 185 NE ARG A 16 6.786 6.522 14.534 1.00 0.00 N ATOM 186 CZ ARG A 16 6.743 7.466 15.483 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.802 7.417 16.435 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.641 8.461 15.480 1.00 0.00 N ATOM 0 H ARG A 16 3.176 1.812 16.177 1.00 0.00 H new ATOM 0 HA ARG A 16 5.425 1.791 14.733 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.128 3.822 15.335 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.771 3.762 16.965 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.707 4.773 16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.953 3.628 15.025 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.849 4.967 13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.824 5.732 14.642 1.00 0.00 H new ATOM 0 HE ARG A 16 7.516 6.590 13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.118 6.660 16.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.770 8.136 17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.357 8.499 14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.608 9.180 16.203 1.00 0.00 H new ATOM 264 N GLY A 22 7.830 -1.692 10.167 1.00 0.00 N ATOM 265 CA GLY A 22 8.484 -2.907 9.711 1.00 0.00 C ATOM 266 C GLY A 22 8.207 -3.157 8.227 1.00 0.00 C ATOM 267 O GLY A 22 8.909 -2.630 7.364 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.559 -2.829 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.132 -3.755 10.298 1.00 0.00 H new ATOM 271 N PHE A 23 7.183 -3.958 7.974 1.00 0.00 N ATOM 272 CA PHE A 23 6.806 -4.283 6.610 1.00 0.00 C ATOM 273 C PHE A 23 6.776 -3.027 5.736 1.00 0.00 C ATOM 274 O PHE A 23 6.925 -1.915 6.237 1.00 0.00 O ATOM 275 CB PHE A 23 5.400 -4.884 6.665 1.00 0.00 C ATOM 276 CG PHE A 23 4.277 -3.843 6.666 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.869 -3.285 7.838 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.688 -3.477 5.496 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.828 -2.321 7.839 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.648 -2.512 5.498 1.00 0.00 C ATOM 281 CZ PHE A 23 2.238 -1.954 6.668 1.00 0.00 C ATOM 0 H PHE A 23 6.602 -4.392 8.692 1.00 0.00 H new ATOM 0 HA PHE A 23 7.528 -4.977 6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.266 -5.547 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.313 -5.498 7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.337 -3.576 8.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.012 -3.921 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.503 -1.878 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.181 -2.220 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.445 -1.221 6.669 1.00 0.00 H new ATOM 290 N THR A 24 6.583 -3.248 4.444 1.00 0.00 N ATOM 291 CA THR A 24 6.532 -2.149 3.496 1.00 0.00 C ATOM 292 C THR A 24 5.697 -2.537 2.273 1.00 0.00 C ATOM 293 O THR A 24 5.320 -3.697 2.117 1.00 0.00 O ATOM 294 CB THR A 24 7.970 -1.757 3.150 1.00 0.00 C ATOM 295 OG1 THR A 24 7.833 -0.900 2.019 1.00 0.00 O ATOM 296 CG2 THR A 24 8.789 -2.937 2.624 1.00 0.00 C ATOM 0 H THR A 24 6.460 -4.173 4.032 1.00 0.00 H new ATOM 0 HA THR A 24 6.036 -1.279 3.926 1.00 0.00 H new ATOM 0 HB THR A 24 8.456 -1.343 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.719 -0.597 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.801 -2.604 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.828 -3.719 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.322 -3.330 1.721 1.00 0.00 H new ATOM 304 N LEU A 25 5.432 -1.543 1.438 1.00 0.00 N ATOM 305 CA LEU A 25 4.650 -1.766 0.235 1.00 0.00 C ATOM 306 C LEU A 25 5.517 -1.482 -0.994 1.00 0.00 C ATOM 307 O LEU A 25 6.555 -0.832 -0.887 1.00 0.00 O ATOM 308 CB LEU A 25 3.356 -0.948 0.277 1.00 0.00 C ATOM 309 CG LEU A 25 2.512 -1.093 1.544 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.352 -2.566 1.931 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.094 -0.259 2.689 1.00 0.00 C ATOM 0 H LEU A 25 5.745 -0.581 1.571 1.00 0.00 H new ATOM 0 HA LEU A 25 4.339 -2.809 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.611 0.104 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.743 -1.231 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 25 1.515 -0.704 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.748 -2.641 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.860 -3.104 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.334 -3.003 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.475 -0.380 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.108 -0.595 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.113 0.792 2.400 1.00 0.00 H new ATOM 322 N ARG A 26 5.059 -1.985 -2.132 1.00 0.00 N ATOM 323 CA ARG A 26 5.780 -1.794 -3.377 1.00 0.00 C ATOM 324 C ARG A 26 4.952 -2.311 -4.555 1.00 0.00 C ATOM 325 O ARG A 26 3.881 -2.885 -4.360 1.00 0.00 O ATOM 326 CB ARG A 26 7.126 -2.520 -3.352 1.00 0.00 C ATOM 327 CG ARG A 26 8.283 -1.525 -3.240 1.00 0.00 C ATOM 328 CD ARG A 26 8.889 -1.230 -4.614 1.00 0.00 C ATOM 329 NE ARG A 26 9.983 -0.242 -4.484 1.00 0.00 N ATOM 330 CZ ARG A 26 11.247 -0.557 -4.172 1.00 0.00 C ATOM 331 NH1 ARG A 26 11.586 -1.835 -3.956 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.173 0.406 -4.076 1.00 0.00 N ATOM 0 H ARG A 26 4.197 -2.524 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 26 5.959 -0.725 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.154 -3.212 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.239 -3.115 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.928 -0.598 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.051 -1.928 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.270 -2.150 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.120 -0.847 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 26 9.761 0.741 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.881 -2.569 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.549 -2.074 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.916 1.379 -4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.136 0.166 -3.838 1.00 0.00 H new ATOM 862 N ILE A 63 -1.866 -2.781 -3.488 1.00 0.00 N ATOM 863 CA ILE A 63 -0.813 -2.667 -2.493 1.00 0.00 C ATOM 864 C ILE A 63 -0.445 -4.064 -1.985 1.00 0.00 C ATOM 865 O ILE A 63 -1.174 -4.650 -1.187 1.00 0.00 O ATOM 866 CB ILE A 63 -1.226 -1.700 -1.381 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.166 -0.251 -1.868 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.385 -1.919 -0.123 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.560 0.377 -1.896 1.00 0.00 C ATOM 0 HA ILE A 63 0.085 -2.239 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.262 -1.908 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.515 0.329 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.728 -0.217 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.699 -1.219 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.522 -2.940 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.667 -1.754 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.488 1.407 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.202 -0.191 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.985 0.364 -0.892 1.00 0.00 H new ATOM 880 N PHE A 64 0.686 -4.555 -2.470 1.00 0.00 N ATOM 881 CA PHE A 64 1.159 -5.871 -2.076 1.00 0.00 C ATOM 882 C PHE A 64 2.425 -5.766 -1.222 1.00 0.00 C ATOM 883 O PHE A 64 3.353 -5.038 -1.569 1.00 0.00 O ATOM 884 CB PHE A 64 1.489 -6.632 -3.362 1.00 0.00 C ATOM 885 CG PHE A 64 0.291 -7.357 -3.980 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.804 -6.652 -4.369 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.324 -8.708 -4.141 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.916 -7.325 -4.942 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.787 -9.380 -4.714 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.883 -8.676 -5.103 1.00 0.00 C ATOM 0 H PHE A 64 1.288 -4.065 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 64 0.396 -6.379 -1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.894 -5.932 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.272 -7.360 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.829 -5.580 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.195 -9.268 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.787 -6.765 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.762 -10.452 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.727 -9.189 -5.540 1.00 0.00 H new ATOM 899 N VAL A 65 2.421 -6.503 -0.121 1.00 0.00 N ATOM 900 CA VAL A 65 3.555 -6.501 0.786 1.00 0.00 C ATOM 901 C VAL A 65 4.834 -6.784 -0.006 1.00 0.00 C ATOM 902 O VAL A 65 4.785 -7.374 -1.083 1.00 0.00 O ATOM 903 CB VAL A 65 3.321 -7.502 1.919 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.514 -7.534 2.877 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.025 -7.187 2.668 1.00 0.00 C ATOM 0 H VAL A 65 1.649 -7.106 0.163 1.00 0.00 H new ATOM 0 HA VAL A 65 3.669 -5.523 1.253 1.00 0.00 H new ATOM 0 HB VAL A 65 3.220 -8.493 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.322 -8.253 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.411 -7.827 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.660 -6.544 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.882 -7.913 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.085 -6.185 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.184 -7.238 1.977 1.00 0.00 H new ATOM 915 N LYS A 66 5.951 -6.347 0.559 1.00 0.00 N ATOM 916 CA LYS A 66 7.241 -6.544 -0.080 1.00 0.00 C ATOM 917 C LYS A 66 8.162 -7.313 0.869 1.00 0.00 C ATOM 918 O LYS A 66 8.615 -8.410 0.547 1.00 0.00 O ATOM 919 CB LYS A 66 7.817 -5.207 -0.548 1.00 0.00 C ATOM 920 CG LYS A 66 9.098 -5.416 -1.360 1.00 0.00 C ATOM 921 CD LYS A 66 10.088 -4.274 -1.124 1.00 0.00 C ATOM 922 CE LYS A 66 11.361 -4.784 -0.444 1.00 0.00 C ATOM 923 NZ LYS A 66 12.464 -3.812 -0.612 1.00 0.00 N ATOM 0 H LYS A 66 5.989 -5.857 1.453 1.00 0.00 H new ATOM 0 HA LYS A 66 7.133 -7.149 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.079 -4.681 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.028 -4.576 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.558 -6.364 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.855 -5.478 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.342 -3.806 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.623 -3.507 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.172 -4.949 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.648 -5.745 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.320 -4.174 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.654 -3.675 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.194 -2.903 -0.184 1.00 0.00 H new ATOM 933 N GLN A 67 8.413 -6.707 2.020 1.00 0.00 N ATOM 934 CA GLN A 67 9.272 -7.320 3.018 1.00 0.00 C ATOM 935 C GLN A 67 8.622 -7.241 4.401 1.00 0.00 C ATOM 936 O GLN A 67 7.697 -6.457 4.612 1.00 0.00 O ATOM 937 CB GLN A 67 10.657 -6.668 3.026 1.00 0.00 C ATOM 938 CG GLN A 67 11.657 -7.491 2.212 1.00 0.00 C ATOM 939 CD GLN A 67 12.810 -7.978 3.092 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.769 -7.269 3.352 1.00 0.00 O ATOM 941 NE2 GLN A 67 12.663 -9.223 3.534 1.00 0.00 N ATOM 0 H GLN A 67 8.036 -5.797 2.284 1.00 0.00 H new ATOM 0 HA GLN A 67 9.402 -8.371 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.591 -5.661 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.011 -6.571 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.151 -8.346 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.049 -6.888 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.835 -9.761 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.378 -9.641 4.129 1.00 0.00 H new ATOM 948 N VAL A 68 9.130 -8.063 5.306 1.00 0.00 N ATOM 949 CA VAL A 68 8.609 -8.097 6.662 1.00 0.00 C ATOM 950 C VAL A 68 9.776 -8.105 7.653 1.00 0.00 C ATOM 951 O VAL A 68 10.482 -9.104 7.777 1.00 0.00 O ATOM 952 CB VAL A 68 7.672 -9.294 6.834 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.434 -9.596 8.315 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.349 -9.063 6.102 1.00 0.00 C ATOM 0 H VAL A 68 9.897 -8.711 5.127 1.00 0.00 H new ATOM 0 HA VAL A 68 8.016 -7.205 6.864 1.00 0.00 H new ATOM 0 HB VAL A 68 8.154 -10.164 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.765 -10.451 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.385 -9.825 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.983 -8.728 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.701 -9.928 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.860 -8.176 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.542 -8.920 5.039 1.00 0.00 H new ATOM 964 N LYS A 69 9.941 -6.978 8.331 1.00 0.00 N ATOM 965 CA LYS A 69 11.012 -6.843 9.305 1.00 0.00 C ATOM 966 C LYS A 69 11.144 -8.147 10.095 1.00 0.00 C ATOM 967 O LYS A 69 10.188 -8.595 10.726 1.00 0.00 O ATOM 968 CB LYS A 69 10.782 -5.612 10.184 1.00 0.00 C ATOM 969 CG LYS A 69 12.106 -5.067 10.722 1.00 0.00 C ATOM 970 CD LYS A 69 12.741 -6.047 11.712 1.00 0.00 C ATOM 971 CE LYS A 69 13.077 -5.352 13.033 1.00 0.00 C ATOM 972 NZ LYS A 69 14.539 -5.169 13.166 1.00 0.00 N ATOM 0 H LYS A 69 9.352 -6.152 8.226 1.00 0.00 H new ATOM 0 HA LYS A 69 11.965 -6.676 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.274 -4.839 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.127 -5.872 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.792 -4.885 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.936 -4.108 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.058 -6.876 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.647 -6.471 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.578 -4.384 13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.701 -5.944 13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.749 -4.696 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.008 -6.097 13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.889 -4.585 12.379 1.00 0.00 H new ATOM 982 N GLU A 70 12.338 -8.719 10.033 1.00 0.00 N ATOM 983 CA GLU A 70 12.607 -9.962 10.734 1.00 0.00 C ATOM 984 C GLU A 70 12.676 -9.717 12.243 1.00 0.00 C ATOM 985 O GLU A 70 13.761 -9.688 12.822 1.00 0.00 O ATOM 986 CB GLU A 70 13.897 -10.611 10.226 1.00 0.00 C ATOM 987 CG GLU A 70 13.937 -12.100 10.574 1.00 0.00 C ATOM 988 CD GLU A 70 14.474 -12.923 9.402 1.00 0.00 C ATOM 989 OE1 GLU A 70 13.696 -13.124 8.444 1.00 0.00 O ATOM 990 OE2 GLU A 70 15.652 -13.334 9.490 1.00 0.00 O ATOM 0 H GLU A 70 13.129 -8.345 9.509 1.00 0.00 H new ATOM 0 HA GLU A 70 11.788 -10.653 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.971 -10.484 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.758 -10.108 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.566 -12.255 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.936 -12.443 10.835 1.00 0.00 H new ATOM 995 N GLY A 71 11.504 -9.548 12.837 1.00 0.00 N ATOM 996 CA GLY A 71 11.418 -9.306 14.268 1.00 0.00 C ATOM 997 C GLY A 71 10.829 -7.923 14.554 1.00 0.00 C ATOM 998 O GLY A 71 11.183 -7.288 15.547 1.00 0.00 O ATOM 0 H GLY A 71 10.606 -9.574 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.799 -10.073 14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.410 -9.383 14.714 1.00 0.00 H new ATOM 1002 N GLY A 72 9.940 -7.498 13.669 1.00 0.00 N ATOM 1003 CA GLY A 72 9.301 -6.201 13.814 1.00 0.00 C ATOM 1004 C GLY A 72 7.839 -6.357 14.241 1.00 0.00 C ATOM 1005 O GLY A 72 7.471 -7.361 14.850 1.00 0.00 O ATOM 0 H GLY A 72 9.647 -8.029 12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.838 -5.607 14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.352 -5.658 12.870 1.00 0.00 H new ATOM 1009 N PRO A 73 7.027 -5.322 13.897 1.00 0.00 N ATOM 1010 CA PRO A 73 5.614 -5.334 14.239 1.00 0.00 C ATOM 1011 C PRO A 73 4.840 -6.290 13.330 1.00 0.00 C ATOM 1012 O PRO A 73 4.349 -7.322 13.785 1.00 0.00 O ATOM 1013 CB PRO A 73 5.165 -3.889 14.103 1.00 0.00 C ATOM 1014 CG PRO A 73 6.217 -3.203 13.245 1.00 0.00 C ATOM 1015 CD PRO A 73 7.430 -4.117 13.177 1.00 0.00 C ATOM 0 HA PRO A 73 5.427 -5.701 15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.181 -3.828 13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.086 -3.411 15.080 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.828 -3.010 12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.489 -2.238 13.673 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.698 -4.343 12.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.302 -3.653 13.638 1.00 0.00 H new ATOM 1020 N ALA A 74 4.753 -5.913 12.063 1.00 0.00 N ATOM 1021 CA ALA A 74 4.045 -6.724 11.088 1.00 0.00 C ATOM 1022 C ALA A 74 4.427 -8.193 11.279 1.00 0.00 C ATOM 1023 O ALA A 74 3.582 -9.079 11.157 1.00 0.00 O ATOM 1024 CB ALA A 74 4.363 -6.220 9.678 1.00 0.00 C ATOM 0 H ALA A 74 5.161 -5.056 11.689 1.00 0.00 H new ATOM 0 HA ALA A 74 2.968 -6.641 11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.832 -6.828 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.048 -5.181 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.436 -6.292 9.499 1.00 0.00 H new ATOM 1030 N PHE A 75 5.700 -8.407 11.577 1.00 0.00 N ATOM 1031 CA PHE A 75 6.203 -9.754 11.788 1.00 0.00 C ATOM 1032 C PHE A 75 5.482 -10.433 12.954 1.00 0.00 C ATOM 1033 O PHE A 75 5.162 -11.618 12.884 1.00 0.00 O ATOM 1034 CB PHE A 75 7.690 -9.628 12.127 1.00 0.00 C ATOM 1035 CG PHE A 75 8.278 -10.861 12.817 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.557 -11.977 12.093 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.521 -10.839 14.155 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.102 -13.121 12.733 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.066 -11.982 14.796 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.345 -13.100 14.072 1.00 0.00 C ATOM 0 H PHE A 75 6.398 -7.670 11.677 1.00 0.00 H new ATOM 0 HA PHE A 75 6.039 -10.356 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.246 -9.438 11.209 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.833 -8.761 12.772 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.364 -11.993 11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.299 -9.952 14.730 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.324 -14.008 12.158 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.259 -11.965 15.858 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.759 -13.970 14.560 1.00 0.00 H new ATOM 1049 N GLU A 76 5.248 -9.652 13.998 1.00 0.00 N ATOM 1050 CA GLU A 76 4.571 -10.163 15.178 1.00 0.00 C ATOM 1051 C GLU A 76 3.104 -10.459 14.861 1.00 0.00 C ATOM 1052 O GLU A 76 2.604 -11.539 15.175 1.00 0.00 O ATOM 1053 CB GLU A 76 4.692 -9.183 16.346 1.00 0.00 C ATOM 1054 CG GLU A 76 6.157 -8.833 16.619 1.00 0.00 C ATOM 1055 CD GLU A 76 6.625 -9.433 17.947 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.835 -9.360 18.912 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.763 -9.949 17.964 1.00 0.00 O ATOM 0 H GLU A 76 5.515 -8.669 14.052 1.00 0.00 H new ATOM 0 HA GLU A 76 5.053 -11.094 15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.133 -8.274 16.122 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.246 -9.620 17.240 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.781 -9.206 15.807 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.278 -7.750 16.642 1.00 0.00 H new ATOM 1062 N ALA A 77 2.456 -9.482 14.243 1.00 0.00 N ATOM 1063 CA ALA A 77 1.055 -9.626 13.881 1.00 0.00 C ATOM 1064 C ALA A 77 0.878 -10.892 13.042 1.00 0.00 C ATOM 1065 O ALA A 77 -0.229 -11.414 12.924 1.00 0.00 O ATOM 1066 CB ALA A 77 0.587 -8.369 13.145 1.00 0.00 C ATOM 0 H ALA A 77 2.874 -8.589 13.984 1.00 0.00 H new ATOM 0 HA ALA A 77 0.437 -9.732 14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.463 -8.476 12.873 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.707 -7.501 13.794 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.183 -8.233 12.243 1.00 0.00 H new ATOM 1072 N GLY A 78 1.986 -11.352 12.477 1.00 0.00 N ATOM 1073 CA GLY A 78 1.966 -12.547 11.652 1.00 0.00 C ATOM 1074 C GLY A 78 1.885 -12.188 10.167 1.00 0.00 C ATOM 1075 O GLY A 78 1.575 -13.037 9.335 1.00 0.00 O ATOM 0 H GLY A 78 2.904 -10.917 12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.863 -13.137 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.113 -13.168 11.926 1.00 0.00 H new ATOM 1079 N LEU A 79 2.168 -10.925 9.881 1.00 0.00 N ATOM 1080 CA LEU A 79 2.131 -10.442 8.511 1.00 0.00 C ATOM 1081 C LEU A 79 3.211 -11.155 7.694 1.00 0.00 C ATOM 1082 O LEU A 79 4.212 -11.610 8.245 1.00 0.00 O ATOM 1083 CB LEU A 79 2.242 -8.916 8.478 1.00 0.00 C ATOM 1084 CG LEU A 79 1.551 -8.219 7.304 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.064 -7.998 7.596 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.264 -6.915 6.944 1.00 0.00 C ATOM 0 H LEU A 79 2.424 -10.222 10.574 1.00 0.00 H new ATOM 0 HA LEU A 79 1.173 -10.679 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.826 -8.521 9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.299 -8.648 8.463 1.00 0.00 H new ATOM 0 HG LEU A 79 1.615 -8.872 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.404 -7.501 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.420 -8.960 7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.044 -7.376 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.753 -6.440 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.253 -6.245 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.296 -7.129 6.665 1.00 0.00 H new ATOM 1097 N CYS A 80 2.971 -11.227 6.393 1.00 0.00 N ATOM 1098 CA CYS A 80 3.911 -11.877 5.494 1.00 0.00 C ATOM 1099 C CYS A 80 3.960 -11.077 4.191 1.00 0.00 C ATOM 1100 O CYS A 80 3.500 -9.938 4.140 1.00 0.00 O ATOM 1101 CB CYS A 80 3.542 -13.342 5.253 1.00 0.00 C ATOM 1102 SG CYS A 80 2.066 -13.447 4.177 1.00 0.00 S ATOM 0 H CYS A 80 2.140 -10.847 5.940 1.00 0.00 H new ATOM 0 HA CYS A 80 4.902 -11.891 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.378 -13.865 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.345 -13.837 6.204 1.00 0.00 H new ATOM 0 HG CYS A 80 2.403 -13.177 2.951 1.00 0.00 H new ATOM 1107 N THR A 81 4.519 -11.707 3.168 1.00 0.00 N ATOM 1108 CA THR A 81 4.635 -11.069 1.868 1.00 0.00 C ATOM 1109 C THR A 81 3.588 -11.632 0.904 1.00 0.00 C ATOM 1110 O THR A 81 3.090 -12.740 1.100 1.00 0.00 O ATOM 1111 CB THR A 81 6.072 -11.251 1.377 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.749 -10.087 1.846 1.00 0.00 O ATOM 1113 CG2 THR A 81 6.185 -11.160 -0.147 1.00 0.00 C ATOM 0 H THR A 81 4.897 -12.653 3.213 1.00 0.00 H new ATOM 0 HA THR A 81 4.432 -10.000 1.933 1.00 0.00 H new ATOM 0 HB THR A 81 6.451 -12.216 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.357 -9.760 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.225 -11.296 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.573 -11.937 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.838 -10.182 -0.480 1.00 0.00 H new ATOM 1121 N GLY A 82 3.284 -10.842 -0.115 1.00 0.00 N ATOM 1122 CA GLY A 82 2.305 -11.249 -1.109 1.00 0.00 C ATOM 1123 C GLY A 82 0.893 -10.833 -0.691 1.00 0.00 C ATOM 1124 O GLY A 82 0.049 -10.550 -1.539 1.00 0.00 O ATOM 0 H GLY A 82 3.698 -9.923 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.550 -10.800 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.345 -12.330 -1.242 1.00 0.00 H new ATOM 1128 N ASP A 83 0.682 -10.808 0.616 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.613 -10.432 1.158 1.00 0.00 C ATOM 1130 C ASP A 83 -0.965 -9.017 0.693 1.00 0.00 C ATOM 1131 O ASP A 83 -0.162 -8.096 0.837 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.593 -10.435 2.688 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.879 -11.791 3.336 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.949 -12.780 2.575 1.00 0.00 O ATOM 1135 OD2 ASP A 83 -1.024 -11.807 4.578 1.00 0.00 O ATOM 0 H ASP A 83 1.386 -11.042 1.316 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.348 -11.156 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.384 -10.087 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.328 -9.715 3.047 1.00 0.00 H new ATOM 1139 N ARG A 84 -2.163 -8.889 0.144 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.631 -7.603 -0.344 1.00 0.00 C ATOM 1141 C ARG A 84 -3.460 -6.898 0.731 1.00 0.00 C ATOM 1142 O ARG A 84 -4.123 -7.550 1.535 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.478 -7.767 -1.607 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.786 -8.498 -1.297 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.789 -8.334 -2.441 1.00 0.00 C ATOM 1146 NE ARG A 84 -7.155 -8.655 -1.967 1.00 0.00 N ATOM 1147 CZ ARG A 84 -8.195 -8.893 -2.777 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -8.033 -8.847 -4.106 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -9.397 -9.176 -2.258 1.00 0.00 N ATOM 0 H ARG A 84 -2.825 -9.656 0.026 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.755 -7.001 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.696 -6.788 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.915 -8.323 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.585 -9.557 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.215 -8.108 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.757 -7.312 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.519 -8.989 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.314 -8.698 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.118 -8.631 -4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.825 -9.028 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.520 -9.210 -1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.189 -9.357 -2.875 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.395 -5.575 0.709 1.00 0.00 N ATOM 1161 CA ILE A 85 -4.132 -4.773 1.672 1.00 0.00 C ATOM 1162 C ILE A 85 -5.577 -4.613 1.196 1.00 0.00 C ATOM 1163 O ILE A 85 -5.819 -4.245 0.048 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.416 -3.444 1.923 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.944 -3.671 2.270 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -4.138 -2.627 2.994 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.802 -4.615 3.466 1.00 0.00 C ATOM 0 H ILE A 85 -2.844 -5.038 0.040 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.168 -5.276 2.638 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.443 -2.862 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.424 -4.089 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.469 -2.717 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.609 -1.688 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.157 -2.419 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.164 -3.191 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.746 -4.760 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.302 -4.182 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.257 -5.576 3.227 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.499 -4.899 2.103 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.914 -4.792 1.790 1.00 0.00 C ATOM 1180 C ILE A 86 -8.523 -3.637 2.589 1.00 0.00 C ATOM 1181 O ILE A 86 -9.418 -2.946 2.107 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.616 -6.131 2.016 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.603 -6.516 3.496 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -8.007 -7.223 1.134 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.578 -7.664 3.773 1.00 0.00 C ATOM 0 H ILE A 86 -6.294 -5.205 3.054 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.053 -4.559 0.734 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.660 -6.023 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.596 -6.811 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.872 -5.651 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.524 -8.166 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.113 -6.945 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.950 -7.337 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.549 -7.918 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.588 -7.357 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.292 -8.535 3.183 1.00 0.00 H new ATOM 1196 N LYS A 87 -8.013 -3.465 3.800 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.494 -2.406 4.672 1.00 0.00 C ATOM 1198 C LYS A 87 -7.304 -1.732 5.354 1.00 0.00 C ATOM 1199 O LYS A 87 -6.200 -2.276 5.368 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.536 -2.951 5.651 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.845 -3.284 4.931 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.210 -4.758 5.111 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.759 -5.349 3.811 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.769 -6.393 4.102 1.00 0.00 N ATOM 0 H LYS A 87 -7.271 -4.041 4.198 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.005 -1.638 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.148 -3.845 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.724 -2.216 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.648 -2.657 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.748 -3.057 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.330 -5.318 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.953 -4.859 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.206 -4.560 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.944 -5.776 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.692 -7.156 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.604 -6.781 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.721 -5.977 4.059 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.566 -0.554 5.903 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.528 0.202 6.586 1.00 0.00 C ATOM 1216 C VAL A 88 -7.178 1.182 7.563 1.00 0.00 C ATOM 1217 O VAL A 88 -7.720 2.207 7.151 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.622 0.889 5.563 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.668 1.869 6.246 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.851 -0.141 4.734 1.00 0.00 C ATOM 0 H VAL A 88 -8.482 -0.105 5.889 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.891 -0.463 7.168 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.256 1.459 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.035 2.343 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.244 2.632 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.044 1.331 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.214 0.374 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.233 -0.750 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.555 -0.781 4.203 1.00 0.00 H new ATOM 1230 N ASN A 89 -7.102 0.833 8.839 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.677 1.671 9.879 1.00 0.00 C ATOM 1232 C ASN A 89 -9.176 1.841 9.623 1.00 0.00 C ATOM 1233 O ASN A 89 -9.721 2.927 9.805 1.00 0.00 O ATOM 1234 CB ASN A 89 -7.038 3.061 9.882 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.565 2.989 9.476 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.868 2.021 9.739 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -5.129 4.062 8.823 1.00 0.00 N ATOM 0 H ASN A 89 -6.652 -0.018 9.177 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.495 1.188 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.577 3.714 9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.124 3.502 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.159 4.109 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.764 4.838 8.635 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.798 0.749 9.203 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.223 0.762 8.919 1.00 0.00 C ATOM 1245 C GLY A 90 -11.581 1.899 7.962 1.00 0.00 C ATOM 1246 O GLY A 90 -12.732 2.331 7.906 1.00 0.00 O ATOM 0 H GLY A 90 -9.341 -0.151 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.519 -0.192 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.782 0.875 9.848 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.574 2.353 7.231 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.767 3.434 6.277 1.00 0.00 C ATOM 1252 C GLU A 91 -11.148 2.869 4.907 1.00 0.00 C ATOM 1253 O GLU A 91 -11.627 3.601 4.042 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.517 4.310 6.180 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.890 5.792 6.138 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.938 6.064 5.057 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -10.548 6.040 3.870 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.105 6.289 5.443 1.00 0.00 O ATOM 0 H GLU A 91 -9.621 1.992 7.279 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.584 4.063 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.867 4.119 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.953 4.048 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.276 6.101 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.999 6.389 5.944 1.00 0.00 H new ATOM 1263 N SER A 92 -10.922 1.573 4.752 1.00 0.00 N ATOM 1264 CA SER A 92 -11.235 0.902 3.501 1.00 0.00 C ATOM 1265 C SER A 92 -10.415 1.509 2.362 1.00 0.00 C ATOM 1266 O SER A 92 -10.708 2.611 1.900 1.00 0.00 O ATOM 1267 CB SER A 92 -12.729 0.993 3.188 1.00 0.00 C ATOM 1268 OG SER A 92 -12.978 1.044 1.785 1.00 0.00 O ATOM 0 H SER A 92 -10.526 0.969 5.472 1.00 0.00 H new ATOM 0 HA SER A 92 -10.976 -0.152 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.242 0.132 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.146 1.881 3.663 1.00 0.00 H new ATOM 0 HG SER A 92 -13.943 1.100 1.626 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.404 0.764 1.941 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.540 1.215 0.865 1.00 0.00 C ATOM 1275 C VAL A 93 -9.110 0.743 -0.475 1.00 0.00 C ATOM 1276 O VAL A 93 -8.389 0.182 -1.299 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.107 0.735 1.106 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.618 1.147 2.496 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -6.997 -0.779 0.913 1.00 0.00 C ATOM 0 H VAL A 93 -9.164 -0.149 2.326 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.504 2.304 0.838 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.464 1.215 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.597 0.794 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.642 2.233 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.266 0.708 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.969 -1.095 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.658 -1.285 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.286 -1.038 -0.106 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.400 0.987 -0.650 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.076 0.593 -1.874 1.00 0.00 C ATOM 1291 C ILE A 94 -11.099 1.777 -2.843 1.00 0.00 C ATOM 1292 O ILE A 94 -11.894 2.701 -2.679 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.463 0.027 -1.562 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.361 -1.241 -0.712 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.261 -0.209 -2.846 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.855 -2.420 -1.544 1.00 0.00 C ATOM 0 H ILE A 94 -10.995 1.453 0.035 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.532 -0.213 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.007 0.766 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.687 -1.067 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.338 -1.481 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.243 -0.611 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.381 0.734 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.729 -0.918 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.792 -3.308 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.544 -2.606 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.868 -2.187 -1.943 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.217 1.710 -3.829 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.126 2.765 -4.824 1.00 0.00 C ATOM 1309 C GLY A 95 -8.915 3.663 -4.561 1.00 0.00 C ATOM 1310 O GLY A 95 -8.166 3.988 -5.482 1.00 0.00 O ATOM 0 H GLY A 95 -9.559 0.942 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.049 2.326 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.037 3.363 -4.809 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.760 4.039 -3.300 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.652 4.892 -2.905 1.00 0.00 C ATOM 1316 C LYS A 96 -6.375 4.422 -3.603 1.00 0.00 C ATOM 1317 O LYS A 96 -6.238 3.241 -3.924 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.535 4.945 -1.380 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.788 5.561 -0.754 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.535 5.962 0.700 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.253 7.269 1.042 1.00 0.00 C ATOM 1322 NZ LYS A 96 -8.288 8.280 1.526 1.00 0.00 N ATOM 0 H LYS A 96 -9.383 3.769 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.830 5.919 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.386 3.939 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.659 5.530 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.093 6.436 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.610 4.847 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.879 5.169 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.464 6.077 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.773 7.646 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.010 7.086 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.804 9.096 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.693 7.864 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.687 8.592 0.737 1.00 0.00 H new ATOM 1332 N THR A 97 -5.475 5.368 -3.821 1.00 0.00 N ATOM 1333 CA THR A 97 -4.214 5.064 -4.476 1.00 0.00 C ATOM 1334 C THR A 97 -3.187 4.571 -3.455 1.00 0.00 C ATOM 1335 O THR A 97 -3.552 4.036 -2.410 1.00 0.00 O ATOM 1336 CB THR A 97 -3.763 6.314 -5.235 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.593 5.894 -5.933 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.264 7.418 -4.303 1.00 0.00 C ATOM 0 H THR A 97 -5.593 6.346 -3.556 1.00 0.00 H new ATOM 0 HA THR A 97 -4.327 4.252 -5.194 1.00 0.00 H new ATOM 0 HB THR A 97 -4.592 6.692 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.236 6.644 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.957 8.281 -4.893 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.065 7.710 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.414 7.051 -3.727 1.00 0.00 H new ATOM 1346 N TYR A 98 -1.922 4.769 -3.793 1.00 0.00 N ATOM 1347 CA TYR A 98 -0.838 4.351 -2.918 1.00 0.00 C ATOM 1348 C TYR A 98 -0.564 5.406 -1.844 1.00 0.00 C ATOM 1349 O TYR A 98 -0.524 5.090 -0.657 1.00 0.00 O ATOM 1350 CB TYR A 98 0.397 4.215 -3.811 1.00 0.00 C ATOM 1351 CG TYR A 98 1.689 3.926 -3.045 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.732 2.894 -2.130 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.811 4.696 -3.271 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.949 2.621 -1.408 1.00 0.00 C ATOM 1355 CE2 TYR A 98 4.028 4.424 -2.551 1.00 0.00 C ATOM 1356 CZ TYR A 98 4.037 3.400 -1.655 1.00 0.00 C ATOM 1357 OH TYR A 98 5.186 3.143 -0.975 1.00 0.00 O ATOM 0 H TYR A 98 -1.622 5.213 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.091 3.420 -2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.226 3.414 -4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.523 5.135 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.853 2.291 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.777 5.503 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.996 1.817 -0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.913 5.019 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 98 5.880 3.777 -1.254 1.00 0.00 H new ATOM 1366 N SER A 99 -0.379 6.636 -2.302 1.00 0.00 N ATOM 1367 CA SER A 99 -0.109 7.738 -1.395 1.00 0.00 C ATOM 1368 C SER A 99 -1.222 7.843 -0.351 1.00 0.00 C ATOM 1369 O SER A 99 -0.951 8.012 0.837 1.00 0.00 O ATOM 1370 CB SER A 99 0.030 9.058 -2.157 1.00 0.00 C ATOM 1371 OG SER A 99 1.354 9.579 -2.084 1.00 0.00 O ATOM 0 H SER A 99 -0.411 6.893 -3.289 1.00 0.00 H new ATOM 0 HA SER A 99 0.836 7.540 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.242 8.904 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.670 9.788 -1.749 1.00 0.00 H new ATOM 0 HG SER A 99 1.402 10.421 -2.584 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.453 7.740 -0.832 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.608 7.820 0.044 1.00 0.00 C ATOM 1378 C GLN A 100 -3.464 6.838 1.207 1.00 0.00 C ATOM 1379 O GLN A 100 -3.335 7.247 2.360 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.903 7.566 -0.730 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.356 8.826 -1.471 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.716 8.610 -2.137 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.643 8.070 -1.557 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.784 9.062 -3.387 1.00 0.00 N ATOM 0 H GLN A 100 -2.675 7.602 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.659 8.830 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.752 6.755 -1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.685 7.244 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.417 9.661 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.616 9.095 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.970 9.505 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.650 8.966 -3.918 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.487 5.558 0.865 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.359 4.512 1.866 1.00 0.00 C ATOM 1393 C VAL A 101 -2.106 4.768 2.707 1.00 0.00 C ATOM 1394 O VAL A 101 -2.109 4.542 3.916 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.357 3.139 1.191 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.670 2.894 0.445 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.157 2.990 0.255 1.00 0.00 C ATOM 0 H VAL A 101 -3.592 5.221 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.213 4.524 2.543 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.268 2.382 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.643 1.911 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.502 2.937 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.802 3.659 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.180 2.005 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.200 3.758 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.235 3.100 0.825 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.065 5.234 2.032 1.00 0.00 N ATOM 1408 CA ILE A 102 0.191 5.523 2.703 1.00 0.00 C ATOM 1409 C ILE A 102 -0.048 6.554 3.806 1.00 0.00 C ATOM 1410 O ILE A 102 0.419 6.384 4.931 1.00 0.00 O ATOM 1411 CB ILE A 102 1.255 5.947 1.686 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.739 4.748 0.869 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.411 6.676 2.374 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.870 4.012 1.591 1.00 0.00 C ATOM 0 H ILE A 102 -1.066 5.418 1.029 1.00 0.00 H new ATOM 0 HA ILE A 102 0.580 4.626 3.185 1.00 0.00 H new ATOM 0 HB ILE A 102 0.801 6.651 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.909 4.064 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.085 5.085 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.153 6.966 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.032 7.567 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.873 6.015 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.195 3.164 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.708 4.692 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.513 3.655 2.557 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.778 7.600 3.446 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.086 8.658 4.394 1.00 0.00 C ATOM 1427 C ALA A 103 -1.908 8.081 5.548 1.00 0.00 C ATOM 1428 O ALA A 103 -1.794 8.536 6.684 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.812 9.794 3.671 1.00 0.00 C ATOM 0 H ALA A 103 -1.165 7.737 2.512 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.171 9.072 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.043 10.588 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.174 10.189 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.737 9.416 3.236 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.719 7.088 5.215 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.560 6.444 6.209 1.00 0.00 C ATOM 1437 C LEU A 104 -2.677 5.730 7.234 1.00 0.00 C ATOM 1438 O LEU A 104 -3.058 5.586 8.395 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.581 5.526 5.534 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.481 6.181 4.483 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.737 5.343 4.236 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.819 7.622 4.873 1.00 0.00 C ATOM 0 H LEU A 104 -2.812 6.714 4.271 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.143 7.188 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.044 4.703 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.215 5.091 6.306 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.933 6.222 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.358 5.831 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.450 4.353 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.299 5.247 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.459 8.065 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.339 7.627 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.900 8.202 4.956 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.513 5.301 6.767 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.571 4.607 7.630 1.00 0.00 C ATOM 1455 C ILE A 105 0.269 5.633 8.391 1.00 0.00 C ATOM 1456 O ILE A 105 0.607 5.422 9.556 1.00 0.00 O ATOM 1457 CB ILE A 105 0.260 3.609 6.821 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.611 2.461 6.304 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.453 3.103 7.634 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.124 1.976 4.936 1.00 0.00 C ATOM 0 H ILE A 105 -1.201 5.420 5.803 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.102 4.015 8.375 1.00 0.00 H new ATOM 0 HB ILE A 105 0.661 4.126 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.590 1.635 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.647 2.791 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.027 2.395 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.089 3.944 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.095 2.608 8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.760 1.160 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.169 2.798 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.904 1.624 5.020 1.00 0.00 H new ATOM 1471 N GLN A 106 0.583 6.721 7.704 1.00 0.00 N ATOM 1472 CA GLN A 106 1.377 7.780 8.303 1.00 0.00 C ATOM 1473 C GLN A 106 0.506 8.650 9.211 1.00 0.00 C ATOM 1474 O GLN A 106 1.010 9.297 10.127 1.00 0.00 O ATOM 1475 CB GLN A 106 2.062 8.626 7.226 1.00 0.00 C ATOM 1476 CG GLN A 106 2.938 7.757 6.321 1.00 0.00 C ATOM 1477 CD GLN A 106 4.336 8.360 6.167 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.934 8.852 7.109 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.820 8.295 4.929 1.00 0.00 N ATOM 0 H GLN A 106 0.302 6.892 6.739 1.00 0.00 H new ATOM 0 HA GLN A 106 2.157 7.322 8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.309 9.138 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.672 9.397 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.015 6.753 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.470 7.659 5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.266 7.869 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.745 8.671 4.723 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.787 8.639 8.922 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.734 9.420 9.701 1.00 0.00 C ATOM 1488 C ASN A 107 -2.431 8.506 10.712 1.00 0.00 C ATOM 1489 O ASN A 107 -3.271 8.960 11.487 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.807 10.039 8.805 1.00 0.00 C ATOM 1491 CG ASN A 107 -3.777 8.971 8.293 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -3.812 7.848 8.770 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -4.558 9.381 7.297 1.00 0.00 N ATOM 0 H ASN A 107 -1.201 8.102 8.160 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.183 10.215 10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.357 10.798 9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.335 10.542 7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.238 8.741 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.477 10.335 6.945 1.00 0.00 H new ATOM 1499 N SER A 108 -2.054 7.237 10.672 1.00 0.00 N ATOM 1500 CA SER A 108 -2.633 6.256 11.574 1.00 0.00 C ATOM 1501 C SER A 108 -2.125 6.491 12.998 1.00 0.00 C ATOM 1502 O SER A 108 -2.581 5.843 13.940 1.00 0.00 O ATOM 1503 CB SER A 108 -2.304 4.831 11.123 1.00 0.00 C ATOM 1504 OG SER A 108 -3.467 4.126 10.695 1.00 0.00 O ATOM 0 H SER A 108 -1.355 6.865 10.029 1.00 0.00 H new ATOM 0 HA SER A 108 -3.717 6.373 11.557 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.581 4.866 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.833 4.290 11.944 1.00 0.00 H new ATOM 0 HG SER A 108 -3.644 3.384 11.310 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.187 7.420 13.111 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.613 7.750 14.405 1.00 0.00 C ATOM 1511 C ASP A 109 0.385 6.662 14.807 1.00 0.00 C ATOM 1512 O ASP A 109 0.924 5.963 13.950 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.693 7.823 15.486 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.422 8.831 16.604 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.155 10.002 16.261 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -1.487 8.405 17.778 1.00 0.00 O ATOM 0 H ASP A 109 -0.810 7.954 12.328 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.124 8.720 14.319 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.642 8.074 15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.809 6.834 15.929 1.00 0.00 H new ATOM 1520 N THR A 110 0.601 6.554 16.109 1.00 0.00 N ATOM 1521 CA THR A 110 1.524 5.563 16.635 1.00 0.00 C ATOM 1522 C THR A 110 1.158 4.167 16.123 1.00 0.00 C ATOM 1523 O THR A 110 1.957 3.521 15.448 1.00 0.00 O ATOM 1524 CB THR A 110 1.516 5.671 18.161 1.00 0.00 C ATOM 1525 OG1 THR A 110 2.190 6.899 18.425 1.00 0.00 O ATOM 1526 CG2 THR A 110 2.395 4.612 18.829 1.00 0.00 C ATOM 0 H THR A 110 0.153 7.137 16.816 1.00 0.00 H new ATOM 0 HA THR A 110 2.541 5.747 16.287 1.00 0.00 H new ATOM 0 HB THR A 110 0.493 5.575 18.526 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.229 7.049 19.393 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.353 4.734 19.911 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.035 3.619 18.562 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.425 4.728 18.491 1.00 0.00 H new ATOM 1534 N THR A 111 -0.050 3.745 16.466 1.00 0.00 N ATOM 1535 CA THR A 111 -0.533 2.439 16.049 1.00 0.00 C ATOM 1536 C THR A 111 -1.100 2.508 14.630 1.00 0.00 C ATOM 1537 O THR A 111 -1.521 3.571 14.176 1.00 0.00 O ATOM 1538 CB THR A 111 -1.547 1.957 17.088 1.00 0.00 C ATOM 1539 OG1 THR A 111 -1.948 3.147 17.761 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.903 1.106 18.185 1.00 0.00 C ATOM 0 H THR A 111 -0.709 4.284 17.028 1.00 0.00 H new ATOM 0 HA THR A 111 0.278 1.712 16.005 1.00 0.00 H new ATOM 0 HB THR A 111 -2.327 1.379 16.592 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.607 2.926 18.452 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.667 0.790 18.896 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.438 0.227 17.738 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.145 1.693 18.704 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.094 1.360 13.969 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.604 1.276 12.611 1.00 0.00 C ATOM 1550 C LEU A 112 -2.119 -0.141 12.351 1.00 0.00 C ATOM 1551 O LEU A 112 -1.364 -1.107 12.446 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.541 1.737 11.611 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.806 1.391 10.144 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.404 -0.053 9.841 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.263 1.672 9.769 1.00 0.00 C ATOM 0 H LEU A 112 -0.744 0.480 14.348 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.449 1.952 12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.436 2.819 11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.415 1.300 11.900 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.184 2.035 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.602 -0.273 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.659 -0.185 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.981 -0.731 10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.425 1.418 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.922 1.070 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.481 2.729 9.924 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.402 -0.219 12.027 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.027 -1.502 11.752 1.00 0.00 C ATOM 1568 C GLU A 113 -4.096 -1.747 10.243 1.00 0.00 C ATOM 1569 O GLU A 113 -4.225 -0.804 9.464 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.418 -1.580 12.384 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.986 -2.998 12.288 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.397 -3.064 12.872 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.306 -2.501 12.227 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -7.536 -3.678 13.954 1.00 0.00 O ATOM 0 H GLU A 113 -4.025 0.585 11.949 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.415 -2.285 12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.364 -1.276 13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.088 -0.881 11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.005 -3.316 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.335 -3.691 12.821 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.006 -3.016 9.878 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.057 -3.397 8.476 1.00 0.00 C ATOM 1581 C LEU A 114 -5.053 -4.544 8.299 1.00 0.00 C ATOM 1582 O LEU A 114 -5.672 -4.989 9.265 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.653 -3.717 7.958 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.650 -2.563 7.981 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.212 -3.084 7.937 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.932 -1.567 6.854 1.00 0.00 C ATOM 0 H LEU A 114 -3.898 -3.795 10.528 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.416 -2.567 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.247 -4.537 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.739 -4.077 6.933 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.770 -2.027 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.481 -2.242 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.030 -3.722 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.061 -3.659 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.204 -0.757 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.857 -2.075 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.936 -1.159 6.972 1.00 0.00 H new ATOM 1597 N SER A 115 -5.180 -4.989 7.057 1.00 0.00 N ATOM 1598 CA SER A 115 -6.092 -6.075 6.742 1.00 0.00 C ATOM 1599 C SER A 115 -5.749 -6.665 5.372 1.00 0.00 C ATOM 1600 O SER A 115 -5.689 -5.942 4.379 1.00 0.00 O ATOM 1601 CB SER A 115 -7.545 -5.599 6.766 1.00 0.00 C ATOM 1602 OG SER A 115 -7.743 -4.536 7.693 1.00 0.00 O ATOM 0 H SER A 115 -4.667 -4.617 6.258 1.00 0.00 H new ATOM 0 HA SER A 115 -5.979 -6.848 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.835 -5.269 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.196 -6.434 7.027 1.00 0.00 H new ATOM 0 HG SER A 115 -8.597 -4.662 8.157 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.532 -7.972 5.363 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.197 -8.666 4.132 1.00 0.00 C ATOM 1609 C VAL A 116 -6.183 -9.818 3.915 1.00 0.00 C ATOM 1610 O VAL A 116 -7.139 -9.969 4.672 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.739 -9.129 4.171 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.807 -7.970 4.533 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.560 -10.299 5.139 1.00 0.00 C ATOM 0 H VAL A 116 -5.582 -8.568 6.189 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.288 -7.993 3.279 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.471 -9.477 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.777 -8.325 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.903 -7.180 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.076 -7.579 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.515 -10.608 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.855 -9.990 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.183 -11.134 4.819 1.00 0.00 H new ATOM 1623 N MET A 117 -5.914 -10.596 2.878 1.00 0.00 N ATOM 1624 CA MET A 117 -6.766 -11.729 2.552 1.00 0.00 C ATOM 1625 C MET A 117 -5.941 -12.894 2.000 1.00 0.00 C ATOM 1626 O MET A 117 -5.848 -13.071 0.787 1.00 0.00 O ATOM 1627 CB MET A 117 -7.807 -11.303 1.516 1.00 0.00 C ATOM 1628 CG MET A 117 -8.818 -10.329 2.123 1.00 0.00 C ATOM 1629 SD MET A 117 -10.292 -11.207 2.618 1.00 0.00 S ATOM 1630 CE MET A 117 -9.565 -12.477 3.642 1.00 0.00 C ATOM 0 H MET A 117 -5.119 -10.466 2.252 1.00 0.00 H new ATOM 0 HA MET A 117 -7.263 -12.061 3.463 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.310 -10.834 0.667 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.327 -12.182 1.135 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.378 -9.826 2.984 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.072 -9.556 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.355 -13.043 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 117 -8.970 -13.148 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 117 -8.925 -12.016 4.394 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.349 -13.676 2.942 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.536 -14.819 2.562 1.00 0.00 C ATOM 1640 C PRO A 118 -5.412 -15.983 2.094 1.00 0.00 C ATOM 1641 O PRO A 118 -6.635 -15.864 2.045 1.00 0.00 O ATOM 1642 CB PRO A 118 -3.718 -15.150 3.800 1.00 0.00 C ATOM 1643 CG PRO A 118 -4.436 -14.482 4.963 1.00 0.00 C ATOM 1644 CD PRO A 118 -5.437 -13.495 4.387 1.00 0.00 C ATOM 0 HA PRO A 118 -3.883 -14.608 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.652 -16.228 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.698 -14.778 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.944 -15.226 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.723 -13.970 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -6.445 -13.696 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.193 -12.472 4.673 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.751 -17.083 1.763 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.453 -18.268 1.302 1.00 0.00 C ATOM 1651 C LYS A 119 -4.612 -19.508 1.613 1.00 0.00 C ATOM 1652 O LYS A 119 -3.385 -19.464 1.545 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.820 -18.131 -0.177 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.130 -19.496 -0.795 1.00 0.00 C ATOM 1655 CD LYS A 119 -7.478 -20.027 -0.303 1.00 0.00 C ATOM 1656 CE LYS A 119 -8.357 -20.461 -1.477 1.00 0.00 C ATOM 1657 NZ LYS A 119 -9.409 -19.453 -1.738 1.00 0.00 N ATOM 0 H LYS A 119 -3.736 -17.178 1.805 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.398 -18.381 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.685 -17.476 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.998 -17.662 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.143 -19.413 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.341 -20.203 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.318 -20.871 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.989 -19.255 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.744 -20.594 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.815 -21.425 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.997 -19.764 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.005 -19.346 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.966 -18.540 -1.967 1.00 0.00 H new