USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 12 LYS NZ :NH3+ -147:sc= -3.48! (180deg=-6.44!) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.98! USER MOD Single : A 19 THR OG1 : rot 74:sc= -1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0496 (180deg=-0.415) USER MOD Single : A 23 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -6.07! K(o=-6.1!,f=-0.68) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.19) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 114:sc= 0.709 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -100:sc= -1.05 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= -0.147 (180deg=-0.833) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0454 (180deg=-0.395) USER MOD Single : A 99 THR OG1 : rot -20:sc= 0.406 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -10.933 -20.212 -4.457 1.00 0.00 N ATOM 108 CA PHE A 7 -10.225 -19.041 -3.961 1.00 0.00 C ATOM 109 C PHE A 7 -10.784 -17.789 -4.632 1.00 0.00 C ATOM 110 O PHE A 7 -10.994 -16.764 -3.985 1.00 0.00 O ATOM 111 CB PHE A 7 -8.724 -19.178 -4.247 1.00 0.00 C ATOM 112 CG PHE A 7 -7.935 -18.302 -3.297 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.967 -16.911 -3.435 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.178 -18.887 -2.273 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.235 -16.105 -2.551 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.448 -18.081 -1.392 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.475 -16.691 -1.532 1.00 0.00 C ATOM 0 HA PHE A 7 -10.365 -18.959 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.417 -20.218 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.514 -18.892 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.554 -16.458 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.158 -19.961 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.258 -15.030 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.864 -18.533 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.910 -16.069 -0.854 1.00 0.00 H new ATOM 127 N ALA A 8 -11.050 -17.898 -5.933 1.00 0.00 N ATOM 128 CA ALA A 8 -11.615 -16.786 -6.686 1.00 0.00 C ATOM 129 C ALA A 8 -12.969 -16.423 -6.097 1.00 0.00 C ATOM 130 O ALA A 8 -13.315 -15.256 -5.981 1.00 0.00 O ATOM 131 CB ALA A 8 -11.783 -17.179 -8.156 1.00 0.00 C ATOM 0 H ALA A 8 -10.884 -18.741 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.944 -15.930 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.206 -16.341 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.812 -17.439 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.451 -18.037 -8.229 1.00 0.00 H new ATOM 137 N ARG A 9 -13.725 -17.442 -5.718 1.00 0.00 N ATOM 138 CA ARG A 9 -15.039 -17.227 -5.133 1.00 0.00 C ATOM 139 C ARG A 9 -14.921 -16.481 -3.813 1.00 0.00 C ATOM 140 O ARG A 9 -15.745 -15.633 -3.503 1.00 0.00 O ATOM 141 CB ARG A 9 -15.737 -18.566 -4.886 1.00 0.00 C ATOM 142 CG ARG A 9 -16.099 -19.225 -6.226 1.00 0.00 C ATOM 143 CD ARG A 9 -16.798 -20.565 -5.975 1.00 0.00 C ATOM 144 NE ARG A 9 -17.174 -21.183 -7.240 1.00 0.00 N ATOM 145 CZ ARG A 9 -17.811 -22.350 -7.273 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.110 -22.962 -6.160 1.00 0.00 N ATOM 147 NH2 ARG A 9 -18.136 -22.884 -8.420 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.453 -18.421 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.625 -16.632 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.085 -19.225 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.638 -18.412 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.751 -18.567 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.198 -19.380 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.136 -21.230 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.684 -20.411 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.945 -20.712 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.855 -22.545 -5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.599 -23.857 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.901 -22.406 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.625 -23.779 -8.446 1.00 0.00 H new ATOM 161 N LEU A 10 -13.901 -16.808 -3.030 1.00 0.00 N ATOM 162 CA LEU A 10 -13.713 -16.153 -1.741 1.00 0.00 C ATOM 163 C LEU A 10 -13.265 -14.709 -1.934 1.00 0.00 C ATOM 164 O LEU A 10 -13.760 -13.798 -1.270 1.00 0.00 O ATOM 165 CB LEU A 10 -12.665 -16.929 -0.928 1.00 0.00 C ATOM 166 CG LEU A 10 -13.335 -17.944 0.021 1.00 0.00 C ATOM 167 CD1 LEU A 10 -14.439 -18.743 -0.708 1.00 0.00 C ATOM 168 CD2 LEU A 10 -12.260 -18.905 0.550 1.00 0.00 C ATOM 0 H LEU A 10 -13.200 -17.512 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.660 -16.145 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.989 -17.451 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.060 -16.231 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.802 -17.405 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.894 -19.451 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.201 -18.057 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.002 -19.286 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.719 -19.629 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.797 -19.429 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.500 -18.340 1.089 1.00 0.00 H new ATOM 180 N VAL A 11 -12.330 -14.513 -2.847 1.00 0.00 N ATOM 181 CA VAL A 11 -11.828 -13.176 -3.118 1.00 0.00 C ATOM 182 C VAL A 11 -12.958 -12.349 -3.695 1.00 0.00 C ATOM 183 O VAL A 11 -13.196 -11.213 -3.281 1.00 0.00 O ATOM 184 CB VAL A 11 -10.658 -13.225 -4.109 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.255 -11.806 -4.508 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.455 -13.922 -3.468 1.00 0.00 C ATOM 0 H VAL A 11 -11.907 -15.252 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.466 -12.729 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.973 -13.780 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.424 -11.848 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.102 -11.305 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.951 -11.251 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.630 -13.952 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.147 -13.372 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.730 -14.939 -3.189 1.00 0.00 H new ATOM 196 N LYS A 12 -13.665 -12.948 -4.640 1.00 0.00 N ATOM 197 CA LYS A 12 -14.790 -12.291 -5.263 1.00 0.00 C ATOM 198 C LYS A 12 -15.870 -12.030 -4.235 1.00 0.00 C ATOM 199 O LYS A 12 -16.518 -10.995 -4.270 1.00 0.00 O ATOM 200 CB LYS A 12 -15.355 -13.154 -6.393 1.00 0.00 C ATOM 201 CG LYS A 12 -14.389 -13.128 -7.581 1.00 0.00 C ATOM 202 CD LYS A 12 -14.793 -14.176 -8.626 1.00 0.00 C ATOM 203 CE LYS A 12 -16.075 -13.744 -9.349 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.350 -14.685 -10.470 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.475 -13.888 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.450 -11.343 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.497 -14.178 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.333 -12.781 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.387 -12.137 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.374 -13.323 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.987 -14.308 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.948 -15.140 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.913 -13.735 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.967 -12.729 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.800 -14.170 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.457 -15.103 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.985 -15.440 -10.142 1.00 0.00 H new ATOM 218 N GLU A 13 -16.080 -12.976 -3.326 1.00 0.00 N ATOM 219 CA GLU A 13 -17.113 -12.794 -2.317 1.00 0.00 C ATOM 220 C GLU A 13 -16.775 -11.644 -1.371 1.00 0.00 C ATOM 221 O GLU A 13 -17.628 -10.806 -1.087 1.00 0.00 O ATOM 222 CB GLU A 13 -17.286 -14.099 -1.553 1.00 0.00 C ATOM 223 CG GLU A 13 -18.102 -15.088 -2.410 1.00 0.00 C ATOM 224 CD GLU A 13 -19.596 -14.950 -2.119 1.00 0.00 C ATOM 225 OE1 GLU A 13 -20.033 -15.468 -1.105 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.280 -14.331 -2.918 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.564 -13.854 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.050 -12.531 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.312 -14.525 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.794 -13.915 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.914 -14.902 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.779 -16.108 -2.203 1.00 0.00 H new ATOM 233 N VAL A 14 -15.531 -11.583 -0.912 1.00 0.00 N ATOM 234 CA VAL A 14 -15.124 -10.495 -0.029 1.00 0.00 C ATOM 235 C VAL A 14 -15.224 -9.178 -0.775 1.00 0.00 C ATOM 236 O VAL A 14 -15.743 -8.178 -0.264 1.00 0.00 O ATOM 237 CB VAL A 14 -13.679 -10.703 0.445 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.173 -9.446 1.158 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.642 -11.868 1.426 1.00 0.00 C ATOM 0 H VAL A 14 -14.799 -12.259 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.782 -10.481 0.840 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.047 -10.910 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.147 -9.604 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.206 -8.600 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.806 -9.238 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.619 -12.023 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.280 -11.644 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.000 -12.771 0.932 1.00 0.00 H new ATOM 249 N THR A 15 -14.709 -9.195 -1.990 1.00 0.00 N ATOM 250 CA THR A 15 -14.711 -8.016 -2.814 1.00 0.00 C ATOM 251 C THR A 15 -16.143 -7.599 -3.114 1.00 0.00 C ATOM 252 O THR A 15 -16.446 -6.418 -3.146 1.00 0.00 O ATOM 253 CB THR A 15 -13.960 -8.290 -4.120 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.651 -8.746 -3.824 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.858 -7.000 -4.935 1.00 0.00 C ATOM 0 H THR A 15 -14.285 -10.016 -2.422 1.00 0.00 H new ATOM 0 HA THR A 15 -14.210 -7.208 -2.282 1.00 0.00 H new ATOM 0 HB THR A 15 -14.499 -9.046 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.645 -9.725 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.323 -7.198 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.859 -6.634 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.319 -6.248 -4.359 1.00 0.00 H new ATOM 263 N ASP A 16 -17.017 -8.579 -3.346 1.00 0.00 N ATOM 264 CA ASP A 16 -18.415 -8.287 -3.654 1.00 0.00 C ATOM 265 C ASP A 16 -19.084 -7.548 -2.498 1.00 0.00 C ATOM 266 O ASP A 16 -19.881 -6.635 -2.715 1.00 0.00 O ATOM 267 CB ASP A 16 -19.178 -9.578 -3.950 1.00 0.00 C ATOM 268 CG ASP A 16 -18.750 -10.145 -5.300 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.098 -9.429 -6.043 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.081 -11.287 -5.572 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.784 -9.572 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.437 -7.648 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.989 -10.309 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.250 -9.383 -3.953 1.00 0.00 H new ATOM 275 N GLU A 17 -18.752 -7.937 -1.270 1.00 0.00 N ATOM 276 CA GLU A 17 -19.318 -7.299 -0.099 1.00 0.00 C ATOM 277 C GLU A 17 -18.939 -5.836 -0.114 1.00 0.00 C ATOM 278 O GLU A 17 -19.753 -4.964 0.189 1.00 0.00 O ATOM 279 CB GLU A 17 -18.762 -7.968 1.154 1.00 0.00 C ATOM 280 CG GLU A 17 -19.308 -9.394 1.246 1.00 0.00 C ATOM 281 CD GLU A 17 -20.757 -9.376 1.721 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.233 -8.309 2.073 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.371 -10.431 1.726 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.095 -8.690 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.404 -7.395 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.673 -7.984 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.044 -7.400 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.243 -9.879 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.700 -9.980 1.935 1.00 0.00 H new ATOM 290 N PHE A 18 -17.702 -5.569 -0.502 1.00 0.00 N ATOM 291 CA PHE A 18 -17.246 -4.197 -0.591 1.00 0.00 C ATOM 292 C PHE A 18 -17.899 -3.546 -1.808 1.00 0.00 C ATOM 293 O PHE A 18 -18.358 -2.405 -1.756 1.00 0.00 O ATOM 294 CB PHE A 18 -15.730 -4.149 -0.763 1.00 0.00 C ATOM 295 CG PHE A 18 -14.997 -5.006 0.231 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.589 -5.483 1.415 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.672 -5.324 -0.060 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.841 -6.268 2.289 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.934 -6.102 0.813 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.515 -6.571 1.984 1.00 0.00 C ATOM 0 H PHE A 18 -17.009 -6.273 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.516 -3.669 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.474 -4.473 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.391 -3.118 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.616 -5.242 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.220 -4.961 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.287 -6.641 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.907 -6.345 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.934 -7.176 2.664 1.00 0.00 H new ATOM 310 N THR A 19 -17.931 -4.305 -2.899 1.00 0.00 N ATOM 311 CA THR A 19 -18.521 -3.852 -4.150 1.00 0.00 C ATOM 312 C THR A 19 -20.021 -4.018 -4.100 1.00 0.00 C ATOM 313 O THR A 19 -20.703 -3.903 -5.118 1.00 0.00 O ATOM 314 CB THR A 19 -17.948 -4.630 -5.347 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.576 -4.910 -5.120 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.091 -3.791 -6.623 1.00 0.00 C ATOM 0 H THR A 19 -17.549 -5.250 -2.939 1.00 0.00 H new ATOM 0 HA THR A 19 -18.276 -2.798 -4.280 1.00 0.00 H new ATOM 0 HB THR A 19 -18.496 -5.565 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.494 -5.623 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.684 -4.344 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.145 -3.577 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.546 -2.855 -6.506 1.00 0.00 H new ATOM 324 N THR A 20 -20.542 -4.280 -2.903 1.00 0.00 N ATOM 325 CA THR A 20 -21.983 -4.437 -2.727 1.00 0.00 C ATOM 326 C THR A 20 -22.705 -3.327 -3.487 1.00 0.00 C ATOM 327 O THR A 20 -23.904 -3.411 -3.760 1.00 0.00 O ATOM 328 CB THR A 20 -22.348 -4.396 -1.242 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.759 -4.497 -1.101 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.862 -3.082 -0.628 1.00 0.00 C ATOM 0 H THR A 20 -19.994 -4.387 -2.049 1.00 0.00 H new ATOM 0 HA THR A 20 -22.292 -5.404 -3.123 1.00 0.00 H new ATOM 0 HB THR A 20 -21.870 -5.230 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.995 -4.473 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.124 -3.056 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.780 -3.008 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.336 -2.244 -1.140 1.00 0.00 H new ATOM 338 N LYS A 21 -21.932 -2.311 -3.871 1.00 0.00 N ATOM 339 CA LYS A 21 -22.432 -1.200 -4.652 1.00 0.00 C ATOM 340 C LYS A 21 -22.827 -1.682 -6.044 1.00 0.00 C ATOM 341 O LYS A 21 -22.854 -0.897 -6.992 1.00 0.00 O ATOM 342 CB LYS A 21 -21.340 -0.141 -4.786 1.00 0.00 C ATOM 343 CG LYS A 21 -21.129 0.540 -3.436 1.00 0.00 C ATOM 344 CD LYS A 21 -20.037 1.599 -3.570 1.00 0.00 C ATOM 345 CE LYS A 21 -19.890 2.349 -2.246 1.00 0.00 C ATOM 346 NZ LYS A 21 -19.453 1.398 -1.182 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.940 -2.243 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.303 -0.776 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.411 -0.601 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.622 0.596 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.058 1.000 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.847 -0.197 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.091 1.130 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.288 2.296 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.163 3.154 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.838 2.810 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.079 1.932 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.264 0.825 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.711 0.774 -1.558 1.00 0.00 H new ATOM 360 N ASP A 22 -23.133 -2.978 -6.164 1.00 0.00 N ATOM 361 CA ASP A 22 -23.532 -3.548 -7.442 1.00 0.00 C ATOM 362 C ASP A 22 -24.904 -3.016 -7.824 1.00 0.00 C ATOM 363 O ASP A 22 -25.753 -3.742 -8.342 1.00 0.00 O ATOM 364 CB ASP A 22 -23.581 -5.073 -7.348 1.00 0.00 C ATOM 365 CG ASP A 22 -22.224 -5.613 -6.912 1.00 0.00 C ATOM 366 OD1 ASP A 22 -21.231 -5.193 -7.483 1.00 0.00 O ATOM 367 OD2 ASP A 22 -22.197 -6.438 -6.014 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.110 -3.644 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.803 -3.266 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.348 -5.377 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.857 -5.496 -8.314 1.00 0.00 H new ATOM 372 N GLN A 23 -25.105 -1.738 -7.544 1.00 0.00 N ATOM 373 CA GLN A 23 -26.359 -1.070 -7.827 1.00 0.00 C ATOM 374 C GLN A 23 -26.770 -1.268 -9.277 1.00 0.00 C ATOM 375 O GLN A 23 -27.949 -1.180 -9.611 1.00 0.00 O ATOM 376 CB GLN A 23 -26.200 0.426 -7.511 1.00 0.00 C ATOM 377 CG GLN A 23 -25.005 1.029 -8.308 1.00 0.00 C ATOM 378 CD GLN A 23 -24.076 1.833 -7.390 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.530 2.732 -6.680 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.793 1.560 -7.363 1.00 0.00 N ATOM 0 H GLN A 23 -24.402 -1.137 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.145 -1.499 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.118 0.957 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.037 0.562 -6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.443 0.228 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.382 1.673 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.417 0.816 -7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.171 2.092 -6.754 1.00 0.00 H new ATOM 389 N ASP A 24 -25.792 -1.546 -10.127 1.00 0.00 N ATOM 390 CA ASP A 24 -26.059 -1.764 -11.539 1.00 0.00 C ATOM 391 C ASP A 24 -24.789 -2.236 -12.235 1.00 0.00 C ATOM 392 O ASP A 24 -24.785 -2.483 -13.440 1.00 0.00 O ATOM 393 CB ASP A 24 -26.557 -0.454 -12.176 1.00 0.00 C ATOM 394 CG ASP A 24 -28.080 -0.316 -12.074 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.740 -1.307 -11.809 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.563 0.787 -12.262 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.810 -1.625 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.827 -2.529 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.081 0.394 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.258 -0.423 -13.224 1.00 0.00 H new ATOM 401 N LEU A 25 -23.717 -2.355 -11.464 1.00 0.00 N ATOM 402 CA LEU A 25 -22.433 -2.784 -12.022 1.00 0.00 C ATOM 403 C LEU A 25 -22.510 -4.205 -12.549 1.00 0.00 C ATOM 404 O LEU A 25 -23.468 -4.938 -12.307 1.00 0.00 O ATOM 405 CB LEU A 25 -21.313 -2.684 -10.981 1.00 0.00 C ATOM 406 CG LEU A 25 -20.684 -1.286 -10.976 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.742 -0.250 -10.603 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.555 -1.243 -9.941 1.00 0.00 C ATOM 0 H LEU A 25 -23.705 -2.164 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.205 -2.113 -12.850 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.711 -2.910 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.547 -3.430 -11.194 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.288 -1.064 -11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.293 0.743 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.553 -0.280 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.136 -0.473 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.105 -0.250 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.958 -1.465 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.797 -1.983 -10.198 1.00 0.00 H new ATOM 420 N ARG A 26 -21.473 -4.562 -13.292 1.00 0.00 N ATOM 421 CA ARG A 26 -21.369 -5.881 -13.901 1.00 0.00 C ATOM 422 C ARG A 26 -19.933 -6.392 -13.841 1.00 0.00 C ATOM 423 O ARG A 26 -18.985 -5.656 -14.097 1.00 0.00 O ATOM 424 CB ARG A 26 -21.822 -5.798 -15.350 1.00 0.00 C ATOM 425 CG ARG A 26 -21.877 -7.203 -15.942 1.00 0.00 C ATOM 426 CD ARG A 26 -22.307 -7.113 -17.401 1.00 0.00 C ATOM 427 NE ARG A 26 -23.657 -6.565 -17.497 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.728 -7.337 -17.341 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.583 -8.611 -17.091 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.923 -6.823 -17.435 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.682 -3.949 -13.490 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.004 -6.575 -13.351 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.803 -5.327 -15.410 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.134 -5.176 -15.923 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.900 -7.681 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.578 -7.820 -15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.611 -6.483 -17.954 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.275 -8.102 -17.859 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.781 -5.571 -17.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.649 -9.013 -17.016 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.404 -9.204 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.036 -5.828 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.744 -7.416 -17.315 1.00 0.00 H new ATOM 444 N TRP A 27 -19.774 -7.661 -13.494 1.00 0.00 N ATOM 445 CA TRP A 27 -18.439 -8.260 -13.398 1.00 0.00 C ATOM 446 C TRP A 27 -18.080 -9.059 -14.647 1.00 0.00 C ATOM 447 O TRP A 27 -18.669 -10.102 -14.926 1.00 0.00 O ATOM 448 CB TRP A 27 -18.366 -9.198 -12.185 1.00 0.00 C ATOM 449 CG TRP A 27 -18.168 -8.428 -10.925 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.975 -7.452 -10.459 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.105 -8.578 -9.958 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.481 -7.010 -9.242 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.323 -7.677 -8.895 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.983 -9.416 -9.906 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.454 -7.611 -7.809 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.103 -9.350 -8.821 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.338 -8.454 -7.774 1.00 0.00 C ATOM 0 H TRP A 27 -20.542 -8.296 -13.275 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.730 -7.439 -13.292 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.283 -9.783 -12.117 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.546 -9.905 -12.316 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.859 -7.077 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.918 -6.284 -8.674 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.797 -10.116 -10.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.639 -6.917 -7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.237 -9.995 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.657 -8.412 -6.937 1.00 0.00 H new ATOM 468 N GLN A 28 -17.076 -8.577 -15.363 1.00 0.00 N ATOM 469 CA GLN A 28 -16.588 -9.257 -16.553 1.00 0.00 C ATOM 470 C GLN A 28 -15.573 -10.315 -16.135 1.00 0.00 C ATOM 471 O GLN A 28 -15.044 -10.262 -15.025 1.00 0.00 O ATOM 472 CB GLN A 28 -15.908 -8.247 -17.472 1.00 0.00 C ATOM 473 CG GLN A 28 -16.822 -7.039 -17.622 1.00 0.00 C ATOM 474 CD GLN A 28 -18.174 -7.475 -18.149 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.260 -8.119 -19.194 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.238 -7.163 -17.481 1.00 0.00 N ATOM 0 H GLN A 28 -16.581 -7.714 -15.139 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.421 -9.724 -17.078 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.946 -7.945 -17.057 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.709 -8.695 -18.446 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.941 -6.541 -16.660 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.373 -6.315 -18.302 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.159 -6.629 -16.616 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.156 -7.451 -17.820 1.00 0.00 H new ATOM 485 N SER A 29 -15.289 -11.263 -17.013 1.00 0.00 N ATOM 486 CA SER A 29 -14.317 -12.297 -16.685 1.00 0.00 C ATOM 487 C SER A 29 -12.962 -11.649 -16.432 1.00 0.00 C ATOM 488 O SER A 29 -12.099 -12.219 -15.764 1.00 0.00 O ATOM 489 CB SER A 29 -14.205 -13.304 -17.830 1.00 0.00 C ATOM 490 OG SER A 29 -13.698 -12.648 -18.985 1.00 0.00 O ATOM 0 H SER A 29 -15.707 -11.340 -17.940 1.00 0.00 H new ATOM 0 HA SER A 29 -14.645 -12.825 -15.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.546 -14.124 -17.545 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.181 -13.739 -18.044 1.00 0.00 H new ATOM 0 HG SER A 29 -13.623 -13.291 -19.720 1.00 0.00 H new ATOM 496 N MET A 30 -12.793 -10.440 -16.963 1.00 0.00 N ATOM 497 CA MET A 30 -11.548 -9.701 -16.785 1.00 0.00 C ATOM 498 C MET A 30 -11.409 -9.306 -15.322 1.00 0.00 C ATOM 499 O MET A 30 -10.322 -9.311 -14.759 1.00 0.00 O ATOM 500 CB MET A 30 -11.536 -8.440 -17.655 1.00 0.00 C ATOM 501 CG MET A 30 -11.637 -8.838 -19.124 1.00 0.00 C ATOM 502 SD MET A 30 -11.615 -7.352 -20.155 1.00 0.00 S ATOM 503 CE MET A 30 -11.896 -8.174 -21.743 1.00 0.00 C ATOM 0 H MET A 30 -13.499 -9.955 -17.517 1.00 0.00 H new ATOM 0 HA MET A 30 -10.715 -10.337 -17.085 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.368 -7.790 -17.385 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.621 -7.874 -17.482 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.807 -9.492 -19.392 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.555 -9.400 -19.297 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.920 -7.430 -22.539 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.090 -8.883 -21.933 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.847 -8.705 -21.714 1.00 0.00 H new ATOM 513 N ALA A 31 -12.535 -8.978 -14.711 1.00 0.00 N ATOM 514 CA ALA A 31 -12.548 -8.583 -13.310 1.00 0.00 C ATOM 515 C ALA A 31 -11.897 -9.677 -12.469 1.00 0.00 C ATOM 516 O ALA A 31 -11.143 -9.401 -11.537 1.00 0.00 O ATOM 517 CB ALA A 31 -13.992 -8.376 -12.863 1.00 0.00 C ATOM 0 H ALA A 31 -13.451 -8.977 -15.161 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.992 -7.655 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.009 -8.080 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.452 -7.595 -13.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.548 -9.305 -12.987 1.00 0.00 H new ATOM 523 N ILE A 32 -12.186 -10.919 -12.830 1.00 0.00 N ATOM 524 CA ILE A 32 -11.631 -12.075 -12.145 1.00 0.00 C ATOM 525 C ILE A 32 -10.142 -12.197 -12.448 1.00 0.00 C ATOM 526 O ILE A 32 -9.334 -12.495 -11.572 1.00 0.00 O ATOM 527 CB ILE A 32 -12.362 -13.320 -12.618 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.850 -13.131 -12.318 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.830 -14.549 -11.874 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.665 -14.320 -12.836 1.00 0.00 C ATOM 0 H ILE A 32 -12.809 -11.152 -13.603 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.756 -11.960 -11.068 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.207 -13.471 -13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.998 -13.023 -11.243 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.205 -12.211 -12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.358 -15.439 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.764 -14.661 -12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.989 -14.423 -10.803 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.720 -14.163 -12.611 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.533 -14.409 -13.914 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.323 -15.234 -12.351 1.00 0.00 H new ATOM 542 N MET A 33 -9.791 -11.940 -13.699 1.00 0.00 N ATOM 543 CA MET A 33 -8.399 -11.995 -14.116 1.00 0.00 C ATOM 544 C MET A 33 -7.626 -10.971 -13.307 1.00 0.00 C ATOM 545 O MET A 33 -6.492 -11.200 -12.891 1.00 0.00 O ATOM 546 CB MET A 33 -8.288 -11.668 -15.610 1.00 0.00 C ATOM 547 CG MET A 33 -8.874 -12.814 -16.441 1.00 0.00 C ATOM 548 SD MET A 33 -7.848 -14.295 -16.251 1.00 0.00 S ATOM 549 CE MET A 33 -8.831 -15.389 -17.304 1.00 0.00 C ATOM 0 H MET A 33 -10.447 -11.693 -14.439 1.00 0.00 H new ATOM 0 HA MET A 33 -7.995 -12.993 -13.950 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.818 -10.741 -15.828 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.244 -11.509 -15.880 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.894 -13.024 -16.120 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.923 -12.526 -17.491 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.371 -16.377 -17.331 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.841 -15.470 -16.902 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.874 -14.981 -18.314 1.00 0.00 H new ATOM 559 N ALA A 34 -8.279 -9.843 -13.078 1.00 0.00 N ATOM 560 CA ALA A 34 -7.701 -8.766 -12.303 1.00 0.00 C ATOM 561 C ALA A 34 -7.390 -9.256 -10.900 1.00 0.00 C ATOM 562 O ALA A 34 -6.377 -8.883 -10.321 1.00 0.00 O ATOM 563 CB ALA A 34 -8.682 -7.579 -12.259 1.00 0.00 C ATOM 0 H ALA A 34 -9.220 -9.652 -13.424 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.773 -8.435 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.246 -6.768 -11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.878 -7.231 -13.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.617 -7.897 -11.797 1.00 0.00 H new ATOM 569 N LEU A 35 -8.261 -10.097 -10.357 1.00 0.00 N ATOM 570 CA LEU A 35 -8.024 -10.616 -9.021 1.00 0.00 C ATOM 571 C LEU A 35 -6.773 -11.478 -9.018 1.00 0.00 C ATOM 572 O LEU A 35 -5.982 -11.439 -8.075 1.00 0.00 O ATOM 573 CB LEU A 35 -9.218 -11.436 -8.534 1.00 0.00 C ATOM 574 CG LEU A 35 -10.426 -10.516 -8.269 1.00 0.00 C ATOM 575 CD1 LEU A 35 -11.651 -11.372 -7.914 1.00 0.00 C ATOM 576 CD2 LEU A 35 -10.125 -9.526 -7.120 1.00 0.00 C ATOM 0 H LEU A 35 -9.115 -10.426 -10.808 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.887 -9.772 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.481 -12.187 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.953 -11.971 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.629 -9.938 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.506 -10.723 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.879 -12.042 -8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.438 -11.959 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.993 -8.888 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.902 -10.082 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.267 -8.909 -7.387 1.00 0.00 H new ATOM 588 N GLN A 36 -6.597 -12.252 -10.080 1.00 0.00 N ATOM 589 CA GLN A 36 -5.439 -13.114 -10.188 1.00 0.00 C ATOM 590 C GLN A 36 -4.184 -12.266 -10.291 1.00 0.00 C ATOM 591 O GLN A 36 -3.165 -12.550 -9.659 1.00 0.00 O ATOM 592 CB GLN A 36 -5.587 -13.978 -11.434 1.00 0.00 C ATOM 593 CG GLN A 36 -6.780 -14.906 -11.248 1.00 0.00 C ATOM 594 CD GLN A 36 -6.460 -15.960 -10.198 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.508 -16.724 -10.349 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.202 -16.041 -9.133 1.00 0.00 N ATOM 0 H GLN A 36 -7.239 -12.298 -10.871 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.363 -13.751 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.730 -13.351 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.680 -14.558 -11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.655 -14.331 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.028 -15.387 -12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.991 -15.406 -9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.995 -16.740 -8.419 1.00 0.00 H new ATOM 605 N GLU A 37 -4.286 -11.202 -11.076 1.00 0.00 N ATOM 606 CA GLU A 37 -3.180 -10.285 -11.251 1.00 0.00 C ATOM 607 C GLU A 37 -2.890 -9.582 -9.936 1.00 0.00 C ATOM 608 O GLU A 37 -1.744 -9.318 -9.597 1.00 0.00 O ATOM 609 CB GLU A 37 -3.532 -9.239 -12.306 1.00 0.00 C ATOM 610 CG GLU A 37 -3.645 -9.910 -13.676 1.00 0.00 C ATOM 611 CD GLU A 37 -2.270 -10.371 -14.146 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.288 -9.894 -13.600 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.217 -11.194 -15.045 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.126 -10.957 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.303 -10.846 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.473 -8.752 -12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.768 -8.462 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.323 -10.762 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.070 -9.213 -14.398 1.00 0.00 H new ATOM 620 N ALA A 38 -3.959 -9.252 -9.222 1.00 0.00 N ATOM 621 CA ALA A 38 -3.845 -8.537 -7.953 1.00 0.00 C ATOM 622 C ALA A 38 -3.090 -9.324 -6.893 1.00 0.00 C ATOM 623 O ALA A 38 -2.195 -8.790 -6.239 1.00 0.00 O ATOM 624 CB ALA A 38 -5.245 -8.217 -7.430 1.00 0.00 C ATOM 0 H ALA A 38 -4.917 -9.468 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.277 -7.627 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.166 -7.683 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.771 -7.595 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.798 -9.144 -7.279 1.00 0.00 H new ATOM 630 N SER A 39 -3.462 -10.579 -6.702 1.00 0.00 N ATOM 631 CA SER A 39 -2.809 -11.387 -5.687 1.00 0.00 C ATOM 632 C SER A 39 -1.346 -11.636 -6.025 1.00 0.00 C ATOM 633 O SER A 39 -0.466 -11.477 -5.178 1.00 0.00 O ATOM 634 CB SER A 39 -3.537 -12.723 -5.528 1.00 0.00 C ATOM 635 OG SER A 39 -2.879 -13.502 -4.539 1.00 0.00 O ATOM 0 H SER A 39 -4.198 -11.053 -7.225 1.00 0.00 H new ATOM 0 HA SER A 39 -2.850 -10.835 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.575 -12.553 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.552 -13.257 -6.478 1.00 0.00 H new ATOM 0 HG SER A 39 -3.344 -14.358 -4.434 1.00 0.00 H new ATOM 641 N GLU A 40 -1.093 -12.042 -7.260 1.00 0.00 N ATOM 642 CA GLU A 40 0.271 -12.328 -7.686 1.00 0.00 C ATOM 643 C GLU A 40 1.096 -11.046 -7.793 1.00 0.00 C ATOM 644 O GLU A 40 2.309 -11.064 -7.599 1.00 0.00 O ATOM 645 CB GLU A 40 0.241 -13.051 -9.039 1.00 0.00 C ATOM 646 CG GLU A 40 -0.163 -12.079 -10.146 1.00 0.00 C ATOM 647 CD GLU A 40 -0.441 -12.849 -11.435 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.457 -14.068 -11.381 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.628 -12.209 -12.456 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.804 -12.180 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 40 0.742 -12.967 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.222 -13.474 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.463 -13.882 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.050 -11.521 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.631 -11.351 -10.311 1.00 0.00 H new ATOM 656 N ALA A 41 0.433 -9.938 -8.103 1.00 0.00 N ATOM 657 CA ALA A 41 1.125 -8.660 -8.238 1.00 0.00 C ATOM 658 C ALA A 41 1.590 -8.153 -6.892 1.00 0.00 C ATOM 659 O ALA A 41 2.704 -7.648 -6.760 1.00 0.00 O ATOM 660 CB ALA A 41 0.212 -7.617 -8.886 1.00 0.00 C ATOM 0 H ALA A 41 -0.573 -9.897 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 41 1.994 -8.821 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.747 -6.672 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.088 -7.961 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.674 -7.474 -8.267 1.00 0.00 H new ATOM 1214 N ALA A 75 -6.023 -8.358 4.959 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.474 -7.017 5.297 1.00 0.00 C ATOM 1216 C ALA A 75 -5.831 -5.991 4.377 1.00 0.00 C ATOM 1217 O ALA A 75 -6.394 -4.935 4.097 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.154 -6.679 6.751 1.00 0.00 C ATOM 0 HA ALA A 75 -7.556 -6.987 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.502 -5.671 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.654 -7.390 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.077 -6.734 6.909 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.647 -6.321 3.907 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.926 -5.463 3.007 1.00 0.00 C ATOM 1226 C VAL A 76 -4.573 -5.527 1.638 1.00 0.00 C ATOM 1227 O VAL A 76 -4.728 -4.512 0.960 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.466 -5.900 2.982 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.732 -5.205 1.849 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.807 -5.520 4.324 1.00 0.00 C ATOM 0 H VAL A 76 -4.164 -7.188 4.140 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.959 -4.424 3.336 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.415 -6.978 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.690 -5.525 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.199 -5.465 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.779 -4.126 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.762 -5.829 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.866 -4.441 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.327 -6.022 5.140 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.990 -6.730 1.256 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.666 -6.901 -0.018 1.00 0.00 C ATOM 1242 C LEU A 77 -7.012 -6.225 0.045 1.00 0.00 C ATOM 1243 O LEU A 77 -7.467 -5.627 -0.919 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.849 -8.370 -0.369 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.510 -8.987 -0.794 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.707 -10.492 -0.975 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -4.024 -8.372 -2.128 1.00 0.00 C ATOM 0 H LEU A 77 -4.873 -7.584 1.801 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.048 -6.450 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.249 -8.909 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.576 -8.470 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.761 -8.786 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.765 -10.949 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.037 -10.931 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.460 -10.671 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.073 -8.823 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.762 -8.562 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.894 -7.297 -2.007 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.629 -6.311 1.206 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.903 -5.695 1.431 1.00 0.00 C ATOM 1261 C LYS A 78 -8.798 -4.213 1.135 1.00 0.00 C ATOM 1262 O LYS A 78 -9.650 -3.639 0.464 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.285 -5.944 2.884 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.473 -5.100 3.266 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.019 -5.563 4.614 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.143 -4.629 5.028 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.714 -5.075 6.329 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.255 -6.811 2.013 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.670 -6.112 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.518 -6.999 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.441 -5.711 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.184 -4.051 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.247 -5.178 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.385 -6.587 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.228 -5.559 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.768 -3.609 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.920 -4.618 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.483 -4.433 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.087 -6.041 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.971 -5.063 7.057 1.00 0.00 H new ATOM 1281 N SER A 79 -7.726 -3.608 1.607 1.00 0.00 N ATOM 1282 CA SER A 79 -7.497 -2.201 1.349 1.00 0.00 C ATOM 1283 C SER A 79 -7.386 -1.964 -0.151 1.00 0.00 C ATOM 1284 O SER A 79 -7.989 -1.038 -0.692 1.00 0.00 O ATOM 1285 CB SER A 79 -6.227 -1.753 2.061 1.00 0.00 C ATOM 1286 OG SER A 79 -5.868 -0.450 1.624 1.00 0.00 O ATOM 0 H SER A 79 -7.005 -4.064 2.167 1.00 0.00 H new ATOM 0 HA SER A 79 -8.335 -1.617 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.383 -1.755 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.417 -2.452 1.855 1.00 0.00 H new ATOM 0 HG SER A 79 -5.052 -0.164 2.085 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.631 -2.828 -0.818 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.469 -2.733 -2.256 1.00 0.00 C ATOM 1294 C PHE A 80 -7.818 -2.888 -2.954 1.00 0.00 C ATOM 1295 O PHE A 80 -8.198 -2.064 -3.774 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.494 -3.825 -2.728 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.633 -4.023 -4.217 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.199 -3.028 -5.087 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.236 -5.185 -4.717 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.366 -3.184 -6.462 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.397 -5.347 -6.096 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.965 -4.344 -6.972 1.00 0.00 C ATOM 0 H PHE A 80 -6.124 -3.599 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.065 -1.753 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.470 -3.542 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.700 -4.760 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.733 -2.135 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.576 -5.954 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.033 -2.409 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.854 -6.245 -6.485 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.093 -4.464 -8.038 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.530 -3.955 -2.624 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.821 -4.210 -3.239 1.00 0.00 C ATOM 1314 C LEU A 81 -10.780 -3.054 -2.969 1.00 0.00 C ATOM 1315 O LEU A 81 -11.443 -2.572 -3.873 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.436 -5.482 -2.650 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.662 -6.731 -3.101 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.176 -7.943 -2.307 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.847 -6.976 -4.616 1.00 0.00 C ATOM 0 H LEU A 81 -8.238 -4.652 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.667 -4.321 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.432 -5.421 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.477 -5.564 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.599 -6.582 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.635 -8.837 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.017 -7.774 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.241 -8.078 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.290 -7.865 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.905 -7.121 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.477 -6.115 -5.172 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.844 -2.613 -1.720 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.739 -1.520 -1.350 1.00 0.00 C ATOM 1333 C GLU A 82 -11.426 -0.263 -2.146 1.00 0.00 C ATOM 1334 O GLU A 82 -12.317 0.365 -2.718 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.558 -1.233 0.138 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.164 -2.376 0.961 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.674 -2.199 1.086 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.190 -1.254 0.513 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.291 -3.006 1.761 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.292 -2.990 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.766 -1.812 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.499 -1.125 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.039 -0.290 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.942 -3.332 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.711 -2.399 1.952 1.00 0.00 H new ATOM 1346 N SER A 83 -10.154 0.084 -2.195 1.00 0.00 N ATOM 1347 CA SER A 83 -9.725 1.257 -2.946 1.00 0.00 C ATOM 1348 C SER A 83 -10.000 1.072 -4.424 1.00 0.00 C ATOM 1349 O SER A 83 -10.357 2.017 -5.126 1.00 0.00 O ATOM 1350 CB SER A 83 -8.234 1.501 -2.750 1.00 0.00 C ATOM 1351 OG SER A 83 -7.846 2.651 -3.488 1.00 0.00 O ATOM 0 H SER A 83 -9.402 -0.423 -1.729 1.00 0.00 H new ATOM 0 HA SER A 83 -10.287 2.114 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.013 1.642 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.665 0.633 -3.082 1.00 0.00 H new ATOM 0 HG SER A 83 -6.887 2.812 -3.363 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.800 -0.146 -4.898 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.993 -0.443 -6.300 1.00 0.00 C ATOM 1359 C VAL A 84 -11.422 -0.153 -6.707 1.00 0.00 C ATOM 1360 O VAL A 84 -11.671 0.399 -7.769 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.645 -1.908 -6.575 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.092 -2.297 -7.994 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.117 -2.118 -6.430 1.00 0.00 C ATOM 0 H VAL A 84 -9.505 -0.941 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.332 0.192 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.165 -2.539 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.841 -3.341 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.170 -2.161 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.583 -1.665 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.873 -3.162 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.593 -1.482 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.808 -1.858 -5.418 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.351 -0.535 -5.858 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.754 -0.313 -6.125 1.00 0.00 C ATOM 1375 C ILE A 85 -14.028 1.166 -6.168 1.00 0.00 C ATOM 1376 O ILE A 85 -14.748 1.654 -7.033 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.570 -0.941 -5.018 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.336 -2.447 -5.071 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.065 -0.622 -5.210 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.962 -3.128 -3.859 1.00 0.00 C ATOM 0 H ILE A 85 -12.158 -1.003 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.022 -0.759 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.269 -0.544 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.764 -2.855 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.266 -2.654 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.641 -1.080 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.212 0.458 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.401 -1.018 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.785 -4.202 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.514 -2.732 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.035 -2.937 -3.848 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.447 1.881 -5.220 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.641 3.307 -5.168 1.00 0.00 C ATOM 1394 C ARG A 86 -13.087 3.947 -6.426 1.00 0.00 C ATOM 1395 O ARG A 86 -13.688 4.857 -6.987 1.00 0.00 O ATOM 1396 CB ARG A 86 -12.955 3.866 -3.916 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.805 3.558 -2.666 1.00 0.00 C ATOM 1398 CD ARG A 86 -14.864 4.650 -2.459 1.00 0.00 C ATOM 1399 NE ARG A 86 -14.221 5.921 -2.145 1.00 0.00 N ATOM 1400 CZ ARG A 86 -14.926 7.044 -2.049 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -16.217 7.019 -2.234 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -14.327 8.167 -1.768 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.847 1.499 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.705 3.536 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.963 3.427 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.818 4.943 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.290 2.588 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.163 3.494 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.471 4.753 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.538 4.365 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.212 5.949 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.684 6.139 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.759 7.880 -2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.318 8.184 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.868 9.029 -1.694 1.00 0.00 H new ATOM 1416 N ASP A 87 -11.948 3.450 -6.874 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.325 3.966 -8.078 1.00 0.00 C ATOM 1418 C ASP A 87 -12.059 3.498 -9.328 1.00 0.00 C ATOM 1419 O ASP A 87 -12.117 4.191 -10.339 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.876 3.488 -8.134 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.042 4.212 -7.083 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.526 5.193 -6.543 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -7.930 3.775 -6.833 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.437 2.691 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.367 5.055 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.834 2.412 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.463 3.671 -9.126 1.00 0.00 H new ATOM 1428 N SER A 88 -12.579 2.294 -9.242 1.00 0.00 N ATOM 1429 CA SER A 88 -13.275 1.666 -10.360 1.00 0.00 C ATOM 1430 C SER A 88 -14.633 2.281 -10.578 1.00 0.00 C ATOM 1431 O SER A 88 -15.026 2.564 -11.702 1.00 0.00 O ATOM 1432 CB SER A 88 -13.429 0.167 -10.123 1.00 0.00 C ATOM 1433 OG SER A 88 -12.142 -0.432 -10.040 1.00 0.00 O ATOM 0 H SER A 88 -12.536 1.718 -8.401 1.00 0.00 H new ATOM 0 HA SER A 88 -12.672 1.831 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.986 -0.012 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.001 -0.284 -10.934 1.00 0.00 H new ATOM 0 HG SER A 88 -11.841 -0.432 -9.108 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.335 2.504 -9.489 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.633 3.114 -9.563 1.00 0.00 C ATOM 1441 C VAL A 89 -16.422 4.518 -10.072 1.00 0.00 C ATOM 1442 O VAL A 89 -17.196 5.036 -10.860 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.303 3.120 -8.184 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.607 3.906 -8.263 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.603 1.680 -7.746 1.00 0.00 C ATOM 0 H VAL A 89 -15.025 2.271 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.293 2.559 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.635 3.585 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.087 3.913 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.396 4.930 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.271 3.437 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.079 1.690 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.271 1.211 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.673 1.115 -7.692 1.00 0.00 H new ATOM 1455 N THR A 90 -15.336 5.111 -9.610 1.00 0.00 N ATOM 1456 CA THR A 90 -14.972 6.454 -10.000 1.00 0.00 C ATOM 1457 C THR A 90 -14.702 6.563 -11.498 1.00 0.00 C ATOM 1458 O THR A 90 -15.233 7.450 -12.166 1.00 0.00 O ATOM 1459 CB THR A 90 -13.733 6.870 -9.204 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.080 6.991 -7.832 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.188 8.203 -9.722 1.00 0.00 C ATOM 0 H THR A 90 -14.686 4.674 -8.956 1.00 0.00 H new ATOM 0 HA THR A 90 -15.807 7.120 -9.782 1.00 0.00 H new ATOM 0 HB THR A 90 -12.959 6.111 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.612 6.303 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.307 8.485 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.917 8.101 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.952 8.974 -9.617 1.00 0.00 H new ATOM 1469 N TYR A 91 -13.884 5.660 -12.022 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.567 5.672 -13.446 1.00 0.00 C ATOM 1471 C TYR A 91 -14.764 5.210 -14.249 1.00 0.00 C ATOM 1472 O TYR A 91 -15.028 5.721 -15.337 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.360 4.770 -13.747 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.061 5.496 -13.435 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.727 6.660 -14.144 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.191 5.013 -12.442 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.534 7.337 -13.864 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.000 5.695 -12.164 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.672 6.855 -12.873 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.496 7.523 -12.596 1.00 0.00 O ATOM 0 H TYR A 91 -13.431 4.917 -11.490 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.314 6.694 -13.729 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.424 3.857 -13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.374 4.472 -14.795 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.392 7.035 -14.908 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.441 4.117 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.279 8.231 -14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.333 5.324 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.015 7.056 -11.881 1.00 0.00 H new ATOM 1490 N THR A 92 -15.495 4.246 -13.715 1.00 0.00 N ATOM 1491 CA THR A 92 -16.662 3.762 -14.425 1.00 0.00 C ATOM 1492 C THR A 92 -17.703 4.855 -14.424 1.00 0.00 C ATOM 1493 O THR A 92 -18.255 5.203 -15.461 1.00 0.00 O ATOM 1494 CB THR A 92 -17.223 2.506 -13.764 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.376 2.747 -12.389 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.289 1.318 -13.987 1.00 0.00 C ATOM 0 H THR A 92 -15.308 3.795 -12.819 1.00 0.00 H new ATOM 0 HA THR A 92 -16.383 3.502 -15.446 1.00 0.00 H new ATOM 0 HB THR A 92 -18.189 2.265 -14.208 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.626 2.348 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.706 0.432 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.181 1.136 -15.056 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.312 1.537 -13.556 1.00 0.00 H new ATOM 1504 N GLU A 93 -17.921 5.442 -13.260 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.859 6.540 -13.164 1.00 0.00 C ATOM 1506 C GLU A 93 -18.374 7.691 -14.025 1.00 0.00 C ATOM 1507 O GLU A 93 -19.172 8.398 -14.640 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.014 6.995 -11.725 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.826 5.955 -10.953 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.293 6.033 -11.362 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.649 6.985 -12.037 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.039 5.140 -10.995 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.469 5.181 -12.384 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.833 6.202 -13.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.035 7.124 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.513 7.963 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.437 4.956 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.729 6.128 -9.881 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.054 7.865 -14.085 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.497 8.931 -14.904 1.00 0.00 C ATOM 1521 C HIS A 94 -16.947 8.710 -16.329 1.00 0.00 C ATOM 1522 O HIS A 94 -17.277 9.643 -17.059 1.00 0.00 O ATOM 1523 CB HIS A 94 -14.972 8.930 -14.838 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.434 10.087 -15.636 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.555 11.399 -15.207 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -13.774 10.144 -16.838 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.980 12.184 -16.136 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.489 11.470 -17.151 1.00 0.00 N ATOM 0 H HIS A 94 -16.369 7.296 -13.589 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.846 9.895 -14.534 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.642 9.005 -13.802 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.581 7.991 -15.230 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.515 9.291 -17.448 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.923 13.260 -16.069 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.008 11.821 -17.979 1.00 0.00 H new ATOM 1536 N ALA A 95 -16.980 7.440 -16.689 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.417 7.016 -18.013 1.00 0.00 C ATOM 1538 C ALA A 95 -18.854 6.527 -17.919 1.00 0.00 C ATOM 1539 O ALA A 95 -19.322 5.764 -18.750 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.517 5.891 -18.525 1.00 0.00 C ATOM 0 H ALA A 95 -16.706 6.672 -16.076 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.355 7.854 -18.708 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.851 5.580 -19.515 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.488 6.246 -18.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.570 5.043 -17.842 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.545 6.983 -16.876 1.00 0.00 N ATOM 1547 CA LYS A 96 -20.934 6.600 -16.627 1.00 0.00 C ATOM 1548 C LYS A 96 -21.170 5.137 -16.989 1.00 0.00 C ATOM 1549 O LYS A 96 -22.233 4.754 -17.478 1.00 0.00 O ATOM 1550 CB LYS A 96 -21.939 7.520 -17.365 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.375 8.056 -18.696 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.417 6.966 -19.808 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.550 7.259 -20.802 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.287 8.556 -21.486 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.161 7.625 -16.183 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.111 6.725 -15.559 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -22.858 6.968 -17.559 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.201 8.359 -16.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -21.951 8.925 -19.014 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.348 8.390 -18.550 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.462 6.936 -20.333 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.564 5.984 -19.358 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.621 6.456 -21.536 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -23.506 7.298 -20.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.666 8.521 -22.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.749 9.325 -20.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.262 8.728 -21.522 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.167 4.325 -16.710 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.239 2.885 -16.964 1.00 0.00 C ATOM 1570 C ARG A 97 -20.594 2.152 -15.681 1.00 0.00 C ATOM 1571 O ARG A 97 -20.394 2.656 -14.578 1.00 0.00 O ATOM 1572 CB ARG A 97 -18.894 2.332 -17.490 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.725 2.595 -18.996 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.359 2.091 -19.468 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.223 2.313 -20.901 1.00 0.00 N ATOM 1576 CZ ARG A 97 -17.697 1.438 -21.785 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -18.284 0.347 -21.375 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -17.575 1.673 -23.064 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.284 4.634 -16.304 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.006 2.724 -17.722 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.071 2.794 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.841 1.260 -17.299 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.518 2.094 -19.552 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.818 3.662 -19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.564 2.610 -18.933 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.254 1.030 -19.243 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.755 3.156 -21.234 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.380 0.164 -20.376 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.647 -0.323 -22.053 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.117 2.526 -23.384 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.938 1.003 -23.742 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.116 0.949 -15.848 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.487 0.098 -14.734 1.00 0.00 C ATOM 1594 C LYS A 98 -20.930 -1.292 -15.013 1.00 0.00 C ATOM 1595 O LYS A 98 -21.647 -2.190 -15.453 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.011 0.055 -14.616 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.637 0.166 -16.011 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.140 0.111 -15.878 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.785 0.124 -17.264 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.452 1.400 -17.955 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.294 0.535 -16.763 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.084 0.478 -13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.323 -0.874 -14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.360 0.871 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.335 1.099 -16.487 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.285 -0.645 -16.648 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.434 -0.790 -15.339 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.494 0.961 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.429 -0.723 -17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -26.866 0.018 -17.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.103 1.543 -18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.545 2.191 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -24.475 1.358 -18.309 1.00 0.00 H new ATOM 1614 N THR A 99 -19.633 -1.439 -14.791 1.00 0.00 N ATOM 1615 CA THR A 99 -18.951 -2.694 -15.057 1.00 0.00 C ATOM 1616 C THR A 99 -17.558 -2.689 -14.436 1.00 0.00 C ATOM 1617 O THR A 99 -16.899 -1.649 -14.398 1.00 0.00 O ATOM 1618 CB THR A 99 -18.833 -2.879 -16.571 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.130 -2.880 -17.149 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.137 -4.200 -16.871 1.00 0.00 C ATOM 0 H THR A 99 -19.031 -0.701 -14.426 1.00 0.00 H new ATOM 0 HA THR A 99 -19.522 -3.512 -14.619 1.00 0.00 H new ATOM 0 HB THR A 99 -18.249 -2.061 -16.993 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.796 -3.079 -16.458 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.054 -4.331 -17.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.141 -4.195 -16.428 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.717 -5.021 -16.450 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.094 -3.851 -13.980 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.752 -3.951 -13.400 1.00 0.00 C ATOM 1630 C VAL A 100 -14.845 -4.633 -14.409 1.00 0.00 C ATOM 1631 O VAL A 100 -15.125 -5.751 -14.843 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.781 -4.769 -12.105 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.393 -4.764 -11.464 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.795 -4.149 -11.139 1.00 0.00 C ATOM 0 H VAL A 100 -17.617 -4.726 -13.999 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.384 -2.952 -13.165 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.070 -5.796 -12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.416 -5.346 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.672 -5.203 -12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.100 -3.739 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.819 -4.728 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.504 -3.122 -10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.784 -4.155 -11.597 1.00 0.00 H new ATOM 1644 N THR A 101 -13.770 -3.954 -14.800 1.00 0.00 N ATOM 1645 CA THR A 101 -12.844 -4.508 -15.786 1.00 0.00 C ATOM 1646 C THR A 101 -11.424 -4.511 -15.250 1.00 0.00 C ATOM 1647 O THR A 101 -11.048 -3.657 -14.448 1.00 0.00 O ATOM 1648 CB THR A 101 -12.891 -3.653 -17.058 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.409 -2.349 -16.763 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.332 -3.554 -17.566 1.00 0.00 C ATOM 0 H THR A 101 -13.519 -3.028 -14.454 1.00 0.00 H new ATOM 0 HA THR A 101 -13.142 -5.534 -16.003 1.00 0.00 H new ATOM 0 HB THR A 101 -12.270 -4.115 -17.825 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.436 -1.799 -17.574 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.358 -2.945 -18.470 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.708 -4.552 -17.790 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.957 -3.094 -16.800 1.00 0.00 H new ATOM 1658 N SER A 102 -10.636 -5.468 -15.716 1.00 0.00 N ATOM 1659 CA SER A 102 -9.249 -5.562 -15.292 1.00 0.00 C ATOM 1660 C SER A 102 -8.518 -4.305 -15.705 1.00 0.00 C ATOM 1661 O SER A 102 -7.468 -3.960 -15.170 1.00 0.00 O ATOM 1662 CB SER A 102 -8.562 -6.761 -15.944 1.00 0.00 C ATOM 1663 OG SER A 102 -8.513 -6.560 -17.352 1.00 0.00 O ATOM 0 H SER A 102 -10.930 -6.183 -16.381 1.00 0.00 H new ATOM 0 HA SER A 102 -9.226 -5.684 -14.209 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.554 -6.880 -15.546 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.106 -7.677 -15.714 1.00 0.00 H new ATOM 0 HG SER A 102 -8.072 -7.325 -17.777 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.091 -3.636 -16.678 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.520 -2.418 -17.196 1.00 0.00 C ATOM 1671 C LEU A 103 -8.611 -1.307 -16.159 1.00 0.00 C ATOM 1672 O LEU A 103 -7.643 -0.591 -15.912 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.288 -2.036 -18.470 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.602 -2.604 -19.719 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.667 -4.137 -19.719 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.324 -2.070 -20.952 1.00 0.00 C ATOM 0 H LEU A 103 -9.961 -3.919 -17.129 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.465 -2.565 -17.429 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.309 -2.412 -18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.352 -0.951 -18.548 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.555 -2.301 -19.725 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.175 -4.522 -20.612 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.163 -4.523 -18.833 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.709 -4.457 -19.712 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.849 -2.464 -21.851 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.368 -2.383 -20.926 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.271 -0.981 -20.961 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.773 -1.170 -15.551 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.957 -0.151 -14.542 1.00 0.00 C ATOM 1690 C ASP A 104 -9.093 -0.500 -13.344 1.00 0.00 C ATOM 1691 O ASP A 104 -8.561 0.376 -12.665 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.437 -0.068 -14.153 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.767 1.315 -13.609 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.844 2.028 -13.254 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.940 1.643 -13.565 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.594 -1.746 -15.737 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.659 0.825 -14.925 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.060 -0.282 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.665 -0.825 -13.402 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.932 -1.798 -13.119 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.091 -2.268 -12.028 1.00 0.00 C ATOM 1702 C VAL A 105 -6.671 -1.809 -12.294 1.00 0.00 C ATOM 1703 O VAL A 105 -5.981 -1.314 -11.405 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.144 -3.792 -11.942 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.088 -4.288 -10.947 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.541 -4.230 -11.475 1.00 0.00 C ATOM 0 H VAL A 105 -9.368 -2.536 -13.671 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.445 -1.862 -11.080 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.941 -4.219 -12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.127 -5.376 -10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.098 -3.979 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.287 -3.863 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.580 -5.318 -11.413 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.747 -3.803 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.289 -3.880 -12.187 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.262 -1.950 -13.546 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.944 -1.524 -13.965 1.00 0.00 C ATOM 1718 C VAL A 106 -4.793 -0.023 -13.753 1.00 0.00 C ATOM 1719 O VAL A 106 -3.750 0.444 -13.301 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.723 -1.904 -15.437 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.534 -1.136 -16.004 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.431 -3.407 -15.523 1.00 0.00 C ATOM 0 H VAL A 106 -6.830 -2.358 -14.289 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.186 -2.027 -13.364 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.616 -1.656 -16.010 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.386 -1.413 -17.048 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.727 -0.065 -15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.638 -1.380 -15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.272 -3.688 -16.564 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.536 -3.637 -14.945 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.276 -3.965 -15.121 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.839 0.726 -14.063 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.802 2.163 -13.879 1.00 0.00 C ATOM 1734 C TYR A 107 -5.643 2.457 -12.398 1.00 0.00 C ATOM 1735 O TYR A 107 -4.893 3.348 -12.003 1.00 0.00 O ATOM 1736 CB TYR A 107 -7.104 2.796 -14.378 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.402 2.456 -15.836 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.457 1.822 -16.679 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.667 2.781 -16.348 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.792 1.529 -18.008 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.991 2.485 -17.677 1.00 0.00 C ATOM 1742 CZ TYR A 107 -8.055 1.861 -18.506 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.378 1.571 -19.815 1.00 0.00 O ATOM 0 H TYR A 107 -6.715 0.365 -14.440 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.968 2.579 -14.444 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.931 2.457 -13.754 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.043 3.879 -14.267 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.480 1.565 -16.298 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.395 3.263 -15.713 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.071 1.045 -18.650 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.967 2.740 -18.063 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.294 1.867 -19.999 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.349 1.683 -11.582 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.278 1.851 -10.144 1.00 0.00 C ATOM 1755 C ALA A 108 -4.876 1.528 -9.649 1.00 0.00 C ATOM 1756 O ALA A 108 -4.348 2.203 -8.772 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.299 0.951 -9.444 1.00 0.00 C ATOM 0 H ALA A 108 -6.972 0.938 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.511 2.889 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.229 1.092 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.303 1.210 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.093 -0.091 -9.688 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.280 0.488 -10.224 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.936 0.082 -9.840 1.00 0.00 C ATOM 1765 C LEU A 109 -1.909 1.120 -10.302 1.00 0.00 C ATOM 1766 O LEU A 109 -0.932 1.397 -9.607 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.619 -1.313 -10.448 1.00 0.00 C ATOM 1768 CG LEU A 109 -2.978 -2.456 -9.483 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.032 -3.785 -10.251 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -1.916 -2.594 -8.378 1.00 0.00 C ATOM 0 H LEU A 109 -4.705 -0.085 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.881 0.015 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.172 -1.437 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.559 -1.368 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.946 -2.225 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.287 -4.592 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.788 -3.723 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.060 -3.985 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.192 -3.408 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.947 -2.807 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.856 -1.664 -7.813 1.00 0.00 H new