USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 95 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 97 ASN : amide:sc= -2.62 K(o=-2.6,f=-7!) USER MOD Set 2.1: A 20 MET CE :methyl 159:sc= -0.0496 (180deg=-0.169) USER MOD Set 2.2: A 60 TYR OH : rot 118:sc= 1.32 USER MOD Set 3.1: A 39 MET CE :methyl 163:sc= -1.14 (180deg=-0.761) USER MOD Set 3.2: A 55 GLN : amide:sc= -9.74! C(o=-11!,f=-16!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.194 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -7.95! C(o=-8!,f=-11!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 0.318 USER MOD Single : A 24 THR OG1 : rot -50:sc= 0.0344 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= 0.847 (180deg=0.679) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.48! C(o=-3.5!,f=-7.4!) USER MOD Single : A 50 TYR OH : rot -130:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.45) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.103 K(o=0.1,f=-1.3) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 71 SER OG : rot 180:sc= -1.41 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -160:sc= -0.426 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N SER A 9 -11.781 -3.958 -4.906 1.00 0.00 N ATOM 135 CA SER A 9 -12.871 -4.899 -4.714 1.00 0.00 C ATOM 136 C SER A 9 -12.512 -5.898 -3.612 1.00 0.00 C ATOM 137 O SER A 9 -11.389 -5.897 -3.110 1.00 0.00 O ATOM 138 CB SER A 9 -13.197 -5.637 -6.014 1.00 0.00 C ATOM 139 OG SER A 9 -14.524 -5.374 -6.459 1.00 0.00 O ATOM 0 HA SER A 9 -13.757 -4.339 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.489 -5.338 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.071 -6.709 -5.864 1.00 0.00 H new ATOM 0 HG SER A 9 -14.692 -5.862 -7.292 1.00 0.00 H new ATOM 145 N PRO A 10 -13.513 -6.748 -3.258 1.00 0.00 N ATOM 146 CA PRO A 10 -13.314 -7.750 -2.225 1.00 0.00 C ATOM 147 C PRO A 10 -12.463 -8.911 -2.744 1.00 0.00 C ATOM 148 O PRO A 10 -12.112 -9.814 -1.986 1.00 0.00 O ATOM 149 CB PRO A 10 -14.714 -8.176 -1.815 1.00 0.00 C ATOM 150 CG PRO A 10 -15.630 -7.743 -2.948 1.00 0.00 C ATOM 151 CD PRO A 10 -14.855 -6.778 -3.831 1.00 0.00 C ATOM 0 HA PRO A 10 -12.762 -7.366 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.765 -9.254 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.006 -7.706 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.959 -8.608 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.526 -7.264 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.836 -7.117 -4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.309 -5.787 -3.828 1.00 0.00 H new ATOM 159 N SER A 11 -12.158 -8.850 -4.031 1.00 0.00 N ATOM 160 CA SER A 11 -11.355 -9.885 -4.660 1.00 0.00 C ATOM 161 C SER A 11 -9.892 -9.742 -4.238 1.00 0.00 C ATOM 162 O SER A 11 -9.212 -10.738 -3.994 1.00 0.00 O ATOM 163 CB SER A 11 -11.476 -9.826 -6.184 1.00 0.00 C ATOM 164 OG SER A 11 -12.254 -10.903 -6.700 1.00 0.00 O ATOM 0 H SER A 11 -12.452 -8.100 -4.656 1.00 0.00 H new ATOM 0 HA SER A 11 -11.728 -10.855 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.930 -8.879 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.481 -9.852 -6.628 1.00 0.00 H new ATOM 0 HG SER A 11 -12.309 -10.829 -7.676 1.00 0.00 H new ATOM 170 N ASP A 12 -9.450 -8.495 -4.164 1.00 0.00 N ATOM 171 CA ASP A 12 -8.079 -8.209 -3.776 1.00 0.00 C ATOM 172 C ASP A 12 -7.926 -8.423 -2.269 1.00 0.00 C ATOM 173 O ASP A 12 -7.011 -9.115 -1.826 1.00 0.00 O ATOM 174 CB ASP A 12 -7.710 -6.757 -4.087 1.00 0.00 C ATOM 175 CG ASP A 12 -6.479 -6.580 -4.978 1.00 0.00 C ATOM 176 OD1 ASP A 12 -6.475 -7.191 -6.068 1.00 0.00 O ATOM 177 OD2 ASP A 12 -5.570 -5.837 -4.548 1.00 0.00 O ATOM 0 H ASP A 12 -10.017 -7.671 -4.366 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.423 -8.876 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.561 -6.277 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.538 -6.232 -3.147 1.00 0.00 H new ATOM 182 N PHE A 13 -8.836 -7.815 -1.521 1.00 0.00 N ATOM 183 CA PHE A 13 -8.813 -7.930 -0.073 1.00 0.00 C ATOM 184 C PHE A 13 -8.774 -9.397 0.360 1.00 0.00 C ATOM 185 O PHE A 13 -8.060 -9.753 1.296 1.00 0.00 O ATOM 186 CB PHE A 13 -10.102 -7.292 0.447 1.00 0.00 C ATOM 187 CG PHE A 13 -9.893 -5.946 1.144 1.00 0.00 C ATOM 188 CD1 PHE A 13 -9.245 -4.939 0.500 1.00 0.00 C ATOM 189 CD2 PHE A 13 -10.356 -5.757 2.409 1.00 0.00 C ATOM 190 CE1 PHE A 13 -9.051 -3.691 1.147 1.00 0.00 C ATOM 191 CE2 PHE A 13 -10.162 -4.508 3.057 1.00 0.00 C ATOM 192 CZ PHE A 13 -9.513 -3.501 2.412 1.00 0.00 C ATOM 0 H PHE A 13 -9.594 -7.241 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.926 -7.438 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.790 -7.154 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.580 -7.980 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.878 -5.089 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.871 -6.557 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.536 -2.892 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.530 -4.358 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 13 -9.365 -2.551 2.904 1.00 0.00 H new ATOM 202 N ALA A 14 -9.550 -10.209 -0.343 1.00 0.00 N ATOM 203 CA ALA A 14 -9.613 -11.629 -0.043 1.00 0.00 C ATOM 204 C ALA A 14 -8.223 -12.245 -0.215 1.00 0.00 C ATOM 205 O ALA A 14 -7.794 -13.058 0.603 1.00 0.00 O ATOM 206 CB ALA A 14 -10.660 -12.295 -0.939 1.00 0.00 C ATOM 0 H ALA A 14 -10.140 -9.910 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.919 -11.789 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.707 -13.360 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.635 -11.842 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.385 -12.157 -1.985 1.00 0.00 H new ATOM 212 N GLN A 15 -7.556 -11.833 -1.284 1.00 0.00 N ATOM 213 CA GLN A 15 -6.223 -12.334 -1.573 1.00 0.00 C ATOM 214 C GLN A 15 -5.216 -11.774 -0.567 1.00 0.00 C ATOM 215 O GLN A 15 -4.471 -12.528 0.056 1.00 0.00 O ATOM 216 CB GLN A 15 -5.811 -11.997 -3.007 1.00 0.00 C ATOM 217 CG GLN A 15 -4.297 -12.125 -3.187 1.00 0.00 C ATOM 218 CD GLN A 15 -3.851 -13.583 -3.063 1.00 0.00 C ATOM 219 OE1 GLN A 15 -4.043 -14.234 -2.049 1.00 0.00 O ATOM 220 NE2 GLN A 15 -3.247 -14.058 -4.148 1.00 0.00 N ATOM 0 H GLN A 15 -7.914 -11.158 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.235 -13.420 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.321 -12.664 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.125 -10.982 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.009 -11.735 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.786 -11.520 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.118 -13.459 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.912 -15.021 -4.165 1.00 0.00 H new ATOM 229 N LEU A 16 -5.225 -10.455 -0.440 1.00 0.00 N ATOM 230 CA LEU A 16 -4.322 -9.785 0.480 1.00 0.00 C ATOM 231 C LEU A 16 -4.453 -10.416 1.868 1.00 0.00 C ATOM 232 O LEU A 16 -3.451 -10.695 2.524 1.00 0.00 O ATOM 233 CB LEU A 16 -4.565 -8.275 0.466 1.00 0.00 C ATOM 234 CG LEU A 16 -3.335 -7.399 0.219 1.00 0.00 C ATOM 235 CD1 LEU A 16 -3.678 -5.916 0.370 1.00 0.00 C ATOM 236 CD2 LEU A 16 -2.175 -7.815 1.126 1.00 0.00 C ATOM 0 H LEU A 16 -5.844 -9.832 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.288 -9.921 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.305 -8.053 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.004 -7.989 1.422 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.009 -7.550 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.786 -5.316 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.449 -5.646 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.043 -5.728 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.313 -7.177 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.474 -7.712 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.911 -8.853 0.925 1.00 0.00 H new ATOM 248 N GLN A 17 -5.698 -10.623 2.273 1.00 0.00 N ATOM 249 CA GLN A 17 -5.973 -11.216 3.570 1.00 0.00 C ATOM 250 C GLN A 17 -5.271 -12.570 3.696 1.00 0.00 C ATOM 251 O GLN A 17 -4.400 -12.745 4.546 1.00 0.00 O ATOM 252 CB GLN A 17 -7.480 -11.357 3.800 1.00 0.00 C ATOM 253 CG GLN A 17 -7.778 -11.776 5.241 1.00 0.00 C ATOM 254 CD GLN A 17 -9.173 -12.392 5.356 1.00 0.00 C ATOM 255 OE1 GLN A 17 -9.341 -13.593 5.488 1.00 0.00 O ATOM 256 NE2 GLN A 17 -10.163 -11.505 5.297 1.00 0.00 N ATOM 0 H GLN A 17 -6.527 -10.391 1.726 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.581 -10.553 4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.975 -10.410 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.889 -12.096 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.030 -12.495 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.704 -10.909 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.953 -10.513 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.132 -11.817 5.363 1.00 0.00 H new ATOM 265 N LYS A 18 -5.676 -13.493 2.836 1.00 0.00 N ATOM 266 CA LYS A 18 -5.096 -14.825 2.839 1.00 0.00 C ATOM 267 C LYS A 18 -3.570 -14.712 2.869 1.00 0.00 C ATOM 268 O LYS A 18 -2.917 -15.304 3.728 1.00 0.00 O ATOM 269 CB LYS A 18 -5.628 -15.644 1.662 1.00 0.00 C ATOM 270 CG LYS A 18 -5.245 -17.119 1.802 1.00 0.00 C ATOM 271 CD LYS A 18 -4.639 -17.654 0.503 1.00 0.00 C ATOM 272 CE LYS A 18 -5.108 -19.084 0.228 1.00 0.00 C ATOM 273 NZ LYS A 18 -4.387 -19.652 -0.933 1.00 0.00 N ATOM 0 H LYS A 18 -6.399 -13.344 2.132 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.394 -15.368 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.713 -15.550 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.228 -15.248 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.530 -17.237 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.127 -17.704 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.923 -17.008 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.551 -17.630 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.938 -19.704 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.181 -19.090 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.717 -20.623 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.570 -19.069 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.366 -19.664 -0.736 1.00 0.00 H new ATOM 287 N TYR A 19 -3.046 -13.948 1.922 1.00 0.00 N ATOM 288 CA TYR A 19 -1.610 -13.750 1.830 1.00 0.00 C ATOM 289 C TYR A 19 -1.052 -13.166 3.129 1.00 0.00 C ATOM 290 O TYR A 19 -0.001 -13.593 3.605 1.00 0.00 O ATOM 291 CB TYR A 19 -1.395 -12.744 0.698 1.00 0.00 C ATOM 292 CG TYR A 19 -1.012 -13.382 -0.639 1.00 0.00 C ATOM 293 CD1 TYR A 19 -1.695 -14.492 -1.094 1.00 0.00 C ATOM 294 CD2 TYR A 19 0.016 -12.849 -1.389 1.00 0.00 C ATOM 295 CE1 TYR A 19 -1.335 -15.093 -2.352 1.00 0.00 C ATOM 296 CE2 TYR A 19 0.376 -13.450 -2.647 1.00 0.00 C ATOM 297 CZ TYR A 19 -0.317 -14.542 -3.067 1.00 0.00 C ATOM 298 OH TYR A 19 0.023 -15.110 -4.255 1.00 0.00 O ATOM 0 H TYR A 19 -3.590 -13.459 1.212 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.103 -14.698 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.308 -12.164 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.613 -12.044 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.499 -14.910 -0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.551 -11.981 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.861 -15.962 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.179 -13.043 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 19 0.765 -14.611 -4.656 1.00 0.00 H new ATOM 308 N MET A 20 -1.780 -12.198 3.665 1.00 0.00 N ATOM 309 CA MET A 20 -1.371 -11.550 4.900 1.00 0.00 C ATOM 310 C MET A 20 -1.314 -12.554 6.053 1.00 0.00 C ATOM 311 O MET A 20 -0.359 -12.561 6.828 1.00 0.00 O ATOM 312 CB MET A 20 -2.360 -10.434 5.243 1.00 0.00 C ATOM 313 CG MET A 20 -1.908 -9.099 4.649 1.00 0.00 C ATOM 314 SD MET A 20 -3.059 -7.810 5.097 1.00 0.00 S ATOM 315 CE MET A 20 -2.424 -7.373 6.707 1.00 0.00 C ATOM 0 H MET A 20 -2.651 -11.846 3.267 1.00 0.00 H new ATOM 0 HA MET A 20 -0.374 -11.133 4.757 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.349 -10.690 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.450 -10.343 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.911 -8.849 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.842 -9.178 3.564 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.762 -6.371 6.972 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.787 -8.086 7.447 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.334 -7.394 6.686 1.00 0.00 H new ATOM 325 N GLU A 21 -2.349 -13.378 6.130 1.00 0.00 N ATOM 326 CA GLU A 21 -2.429 -14.384 7.175 1.00 0.00 C ATOM 327 C GLU A 21 -1.078 -15.083 7.343 1.00 0.00 C ATOM 328 O GLU A 21 -0.538 -15.141 8.446 1.00 0.00 O ATOM 329 CB GLU A 21 -3.537 -15.396 6.879 1.00 0.00 C ATOM 330 CG GLU A 21 -4.673 -15.279 7.898 1.00 0.00 C ATOM 331 CD GLU A 21 -5.188 -16.661 8.305 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.520 -17.287 9.156 1.00 0.00 O ATOM 333 OE2 GLU A 21 -6.238 -17.060 7.756 1.00 0.00 O ATOM 0 H GLU A 21 -3.139 -13.369 5.485 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.678 -13.887 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.926 -15.231 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.127 -16.406 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.322 -14.744 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.488 -14.693 7.473 1.00 0.00 H new ATOM 340 N TYR A 22 -0.572 -15.598 6.232 1.00 0.00 N ATOM 341 CA TYR A 22 0.704 -16.291 6.241 1.00 0.00 C ATOM 342 C TYR A 22 1.802 -15.409 6.840 1.00 0.00 C ATOM 343 O TYR A 22 2.656 -15.893 7.582 1.00 0.00 O ATOM 344 CB TYR A 22 1.040 -16.578 4.777 1.00 0.00 C ATOM 345 CG TYR A 22 1.447 -18.027 4.504 1.00 0.00 C ATOM 346 CD1 TYR A 22 0.516 -19.039 4.623 1.00 0.00 C ATOM 347 CD2 TYR A 22 2.745 -18.322 4.139 1.00 0.00 C ATOM 348 CE1 TYR A 22 0.900 -20.403 4.366 1.00 0.00 C ATOM 349 CE2 TYR A 22 3.128 -19.687 3.882 1.00 0.00 C ATOM 350 CZ TYR A 22 2.186 -20.660 4.008 1.00 0.00 C ATOM 351 OH TYR A 22 2.548 -21.948 3.766 1.00 0.00 O ATOM 0 H TYR A 22 -1.024 -15.549 5.319 1.00 0.00 H new ATOM 0 HA TYR A 22 0.643 -17.199 6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.175 -16.333 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.850 -15.919 4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.500 -18.808 4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.473 -17.530 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.182 -21.205 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.140 -19.932 3.596 1.00 0.00 H new ATOM 0 HH TYR A 22 3.496 -21.981 3.519 1.00 0.00 H new ATOM 361 N SER A 23 1.744 -14.131 6.496 1.00 0.00 N ATOM 362 CA SER A 23 2.723 -13.178 6.991 1.00 0.00 C ATOM 363 C SER A 23 2.438 -12.848 8.457 1.00 0.00 C ATOM 364 O SER A 23 1.292 -12.598 8.830 1.00 0.00 O ATOM 365 CB SER A 23 2.720 -11.900 6.149 1.00 0.00 C ATOM 366 OG SER A 23 3.980 -11.671 5.523 1.00 0.00 O ATOM 0 H SER A 23 1.035 -13.733 5.881 1.00 0.00 H new ATOM 0 HA SER A 23 3.711 -13.631 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.944 -11.970 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.470 -11.049 6.782 1.00 0.00 H new ATOM 0 HG SER A 23 4.062 -12.245 4.733 1.00 0.00 H new ATOM 372 N THR A 24 3.499 -12.859 9.250 1.00 0.00 N ATOM 373 CA THR A 24 3.377 -12.564 10.668 1.00 0.00 C ATOM 374 C THR A 24 4.167 -11.302 11.020 1.00 0.00 C ATOM 375 O THR A 24 4.508 -11.082 12.181 1.00 0.00 O ATOM 376 CB THR A 24 3.829 -13.800 11.448 1.00 0.00 C ATOM 377 OG1 THR A 24 3.135 -13.700 12.689 1.00 0.00 O ATOM 378 CG2 THR A 24 5.306 -13.737 11.841 1.00 0.00 C ATOM 0 H THR A 24 4.447 -13.068 8.938 1.00 0.00 H new ATOM 0 HA THR A 24 2.343 -12.349 10.940 1.00 0.00 H new ATOM 0 HB THR A 24 3.651 -14.693 10.848 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.262 -12.803 13.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.575 -14.638 12.392 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.919 -13.665 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.478 -12.863 12.469 1.00 0.00 H new ATOM 386 N LYS A 25 4.434 -10.505 9.996 1.00 0.00 N ATOM 387 CA LYS A 25 5.177 -9.270 10.182 1.00 0.00 C ATOM 388 C LYS A 25 4.196 -8.100 10.285 1.00 0.00 C ATOM 389 O LYS A 25 3.027 -8.232 9.925 1.00 0.00 O ATOM 390 CB LYS A 25 6.222 -9.101 9.077 1.00 0.00 C ATOM 391 CG LYS A 25 7.501 -9.871 9.410 1.00 0.00 C ATOM 392 CD LYS A 25 8.579 -9.626 8.353 1.00 0.00 C ATOM 393 CE LYS A 25 9.924 -9.300 9.006 1.00 0.00 C ATOM 394 NZ LYS A 25 10.605 -10.540 9.438 1.00 0.00 N ATOM 0 H LYS A 25 4.149 -10.690 9.034 1.00 0.00 H new ATOM 0 HA LYS A 25 5.737 -9.300 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.816 -9.456 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.453 -8.044 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.870 -9.564 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.282 -10.937 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.682 -10.509 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.277 -8.804 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.555 -8.758 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.769 -8.645 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.516 -10.300 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.009 -11.042 10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.770 -11.151 8.613 1.00 0.00 H new ATOM 408 N LYS A 26 4.707 -6.982 10.778 1.00 0.00 N ATOM 409 CA LYS A 26 3.891 -5.790 10.933 1.00 0.00 C ATOM 410 C LYS A 26 4.254 -4.783 9.839 1.00 0.00 C ATOM 411 O LYS A 26 5.411 -4.697 9.429 1.00 0.00 O ATOM 412 CB LYS A 26 4.022 -5.231 12.351 1.00 0.00 C ATOM 413 CG LYS A 26 3.540 -6.249 13.387 1.00 0.00 C ATOM 414 CD LYS A 26 2.216 -5.807 14.015 1.00 0.00 C ATOM 415 CE LYS A 26 1.474 -6.997 14.626 1.00 0.00 C ATOM 416 NZ LYS A 26 0.443 -7.499 13.691 1.00 0.00 N ATOM 0 H LYS A 26 5.677 -6.876 11.076 1.00 0.00 H new ATOM 0 HA LYS A 26 2.836 -6.032 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.062 -4.970 12.548 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.441 -4.313 12.439 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.415 -7.223 12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.294 -6.367 14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.406 -5.059 14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.591 -5.334 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.181 -7.793 14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.008 -6.699 15.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.188 -8.474 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.401 -6.894 13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.816 -7.482 12.721 1.00 0.00 H new ATOM 430 N VAL A 27 3.245 -4.046 9.399 1.00 0.00 N ATOM 431 CA VAL A 27 3.443 -3.049 8.362 1.00 0.00 C ATOM 432 C VAL A 27 4.289 -1.901 8.918 1.00 0.00 C ATOM 433 O VAL A 27 4.936 -1.179 8.162 1.00 0.00 O ATOM 434 CB VAL A 27 2.091 -2.585 7.816 1.00 0.00 C ATOM 435 CG1 VAL A 27 1.403 -1.631 8.795 1.00 0.00 C ATOM 436 CG2 VAL A 27 2.248 -1.937 6.439 1.00 0.00 C ATOM 0 H VAL A 27 2.287 -4.120 9.742 1.00 0.00 H new ATOM 0 HA VAL A 27 3.988 -3.477 7.521 1.00 0.00 H new ATOM 0 HB VAL A 27 1.457 -3.464 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.444 -1.316 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.240 -2.140 9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.034 -0.757 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.272 -1.616 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.908 -1.073 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.676 -2.659 5.744 1.00 0.00 H new ATOM 446 N SER A 28 4.256 -1.770 10.236 1.00 0.00 N ATOM 447 CA SER A 28 5.012 -0.723 10.903 1.00 0.00 C ATOM 448 C SER A 28 6.512 -0.970 10.731 1.00 0.00 C ATOM 449 O SER A 28 7.295 -0.025 10.655 1.00 0.00 O ATOM 450 CB SER A 28 4.653 -0.645 12.388 1.00 0.00 C ATOM 451 OG SER A 28 5.140 0.549 12.993 1.00 0.00 O ATOM 0 H SER A 28 3.718 -2.371 10.860 1.00 0.00 H new ATOM 0 HA SER A 28 4.753 0.231 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.570 -0.694 12.502 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.067 -1.509 12.907 1.00 0.00 H new ATOM 0 HG SER A 28 4.889 0.562 13.940 1.00 0.00 H new ATOM 457 N ASP A 29 6.867 -2.245 10.675 1.00 0.00 N ATOM 458 CA ASP A 29 8.259 -2.628 10.514 1.00 0.00 C ATOM 459 C ASP A 29 8.713 -2.297 9.091 1.00 0.00 C ATOM 460 O ASP A 29 9.823 -1.806 8.889 1.00 0.00 O ATOM 461 CB ASP A 29 8.446 -4.131 10.732 1.00 0.00 C ATOM 462 CG ASP A 29 8.628 -4.556 12.190 1.00 0.00 C ATOM 463 OD1 ASP A 29 7.597 -4.633 12.892 1.00 0.00 O ATOM 464 OD2 ASP A 29 9.795 -4.793 12.570 1.00 0.00 O ATOM 0 H ASP A 29 6.214 -3.026 10.738 1.00 0.00 H new ATOM 0 HA ASP A 29 8.846 -2.081 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.581 -4.652 10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.315 -4.460 10.162 1.00 0.00 H new ATOM 469 N VAL A 30 7.832 -2.578 8.142 1.00 0.00 N ATOM 470 CA VAL A 30 8.129 -2.316 6.744 1.00 0.00 C ATOM 471 C VAL A 30 8.046 -0.811 6.483 1.00 0.00 C ATOM 472 O VAL A 30 8.680 -0.301 5.561 1.00 0.00 O ATOM 473 CB VAL A 30 7.193 -3.131 5.849 1.00 0.00 C ATOM 474 CG1 VAL A 30 7.300 -2.681 4.391 1.00 0.00 C ATOM 475 CG2 VAL A 30 7.474 -4.629 5.982 1.00 0.00 C ATOM 0 H VAL A 30 6.912 -2.984 8.314 1.00 0.00 H new ATOM 0 HA VAL A 30 9.144 -2.632 6.503 1.00 0.00 H new ATOM 0 HB VAL A 30 6.171 -2.951 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.625 -3.276 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.028 -1.628 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.324 -2.818 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.795 -5.185 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.504 -4.834 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.324 -4.937 7.017 1.00 0.00 H new ATOM 485 N LEU A 31 7.258 -0.141 7.312 1.00 0.00 N ATOM 486 CA LEU A 31 7.083 1.295 7.183 1.00 0.00 C ATOM 487 C LEU A 31 8.423 1.992 7.432 1.00 0.00 C ATOM 488 O LEU A 31 8.889 2.765 6.597 1.00 0.00 O ATOM 489 CB LEU A 31 5.957 1.783 8.097 1.00 0.00 C ATOM 490 CG LEU A 31 4.796 2.500 7.406 1.00 0.00 C ATOM 491 CD1 LEU A 31 3.692 1.513 7.023 1.00 0.00 C ATOM 492 CD2 LEU A 31 4.266 3.645 8.271 1.00 0.00 C ATOM 0 H LEU A 31 6.734 -0.567 8.076 1.00 0.00 H new ATOM 0 HA LEU A 31 6.773 1.551 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.558 0.925 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.385 2.457 8.839 1.00 0.00 H new ATOM 0 HG LEU A 31 5.169 2.941 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.879 2.049 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.094 0.763 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.315 1.023 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.441 4.138 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.914 3.249 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.064 4.365 8.450 1.00 0.00 H new ATOM 504 N LYS A 32 9.003 1.694 8.585 1.00 0.00 N ATOM 505 CA LYS A 32 10.279 2.282 8.955 1.00 0.00 C ATOM 506 C LYS A 32 11.322 1.936 7.890 1.00 0.00 C ATOM 507 O LYS A 32 12.244 2.713 7.644 1.00 0.00 O ATOM 508 CB LYS A 32 10.678 1.852 10.368 1.00 0.00 C ATOM 509 CG LYS A 32 11.095 0.380 10.397 1.00 0.00 C ATOM 510 CD LYS A 32 11.959 0.079 11.624 1.00 0.00 C ATOM 511 CE LYS A 32 11.094 -0.350 12.811 1.00 0.00 C ATOM 512 NZ LYS A 32 11.858 -0.243 14.074 1.00 0.00 N ATOM 0 H LYS A 32 8.613 1.053 9.276 1.00 0.00 H new ATOM 0 HA LYS A 32 10.203 3.369 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.500 2.473 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.842 2.010 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.208 -0.253 10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.648 0.137 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.673 -0.709 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.538 0.963 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.203 0.275 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.755 -1.376 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.257 -0.538 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.695 -0.858 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.160 0.742 14.215 1.00 0.00 H new ATOM 526 N LEU A 33 11.143 0.770 7.288 1.00 0.00 N ATOM 527 CA LEU A 33 12.057 0.312 6.255 1.00 0.00 C ATOM 528 C LEU A 33 12.063 1.319 5.103 1.00 0.00 C ATOM 529 O LEU A 33 13.124 1.682 4.597 1.00 0.00 O ATOM 530 CB LEU A 33 11.708 -1.114 5.825 1.00 0.00 C ATOM 531 CG LEU A 33 12.402 -2.237 6.599 1.00 0.00 C ATOM 532 CD1 LEU A 33 11.750 -3.589 6.304 1.00 0.00 C ATOM 533 CD2 LEU A 33 13.905 -2.251 6.315 1.00 0.00 C ATOM 0 H LEU A 33 10.378 0.128 7.496 1.00 0.00 H new ATOM 0 HA LEU A 33 13.075 0.263 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.630 -1.247 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.952 -1.224 4.768 1.00 0.00 H new ATOM 0 HG LEU A 33 12.278 -2.045 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.262 -4.370 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.701 -3.559 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.822 -3.803 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.374 -3.058 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.072 -2.406 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.341 -1.298 6.616 1.00 0.00 H new ATOM 545 N PHE A 34 10.866 1.741 4.721 1.00 0.00 N ATOM 546 CA PHE A 34 10.720 2.698 3.638 1.00 0.00 C ATOM 547 C PHE A 34 10.952 4.126 4.134 1.00 0.00 C ATOM 548 O PHE A 34 11.120 5.045 3.334 1.00 0.00 O ATOM 549 CB PHE A 34 9.285 2.576 3.124 1.00 0.00 C ATOM 550 CG PHE A 34 9.106 1.532 2.020 1.00 0.00 C ATOM 551 CD1 PHE A 34 8.970 0.218 2.342 1.00 0.00 C ATOM 552 CD2 PHE A 34 9.082 1.918 0.716 1.00 0.00 C ATOM 553 CE1 PHE A 34 8.804 -0.751 1.317 1.00 0.00 C ATOM 554 CE2 PHE A 34 8.916 0.950 -0.309 1.00 0.00 C ATOM 555 CZ PHE A 34 8.781 -0.365 0.013 1.00 0.00 C ATOM 0 H PHE A 34 9.988 1.437 5.143 1.00 0.00 H new ATOM 0 HA PHE A 34 11.451 2.490 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.631 2.323 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.961 3.546 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.988 -0.089 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.189 2.962 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.696 -1.795 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.897 1.257 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.656 -1.102 -0.766 1.00 0.00 H new ATOM 565 N GLU A 35 10.954 4.269 5.451 1.00 0.00 N ATOM 566 CA GLU A 35 11.163 5.570 6.063 1.00 0.00 C ATOM 567 C GLU A 35 12.659 5.870 6.175 1.00 0.00 C ATOM 568 O GLU A 35 13.135 6.876 5.649 1.00 0.00 O ATOM 569 CB GLU A 35 10.484 5.647 7.432 1.00 0.00 C ATOM 570 CG GLU A 35 9.001 5.288 7.330 1.00 0.00 C ATOM 571 CD GLU A 35 8.121 6.492 7.673 1.00 0.00 C ATOM 572 OE1 GLU A 35 8.324 7.545 7.031 1.00 0.00 O ATOM 573 OE2 GLU A 35 7.265 6.332 8.571 1.00 0.00 O ATOM 0 H GLU A 35 10.814 3.505 6.112 1.00 0.00 H new ATOM 0 HA GLU A 35 10.708 6.327 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.979 4.968 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.591 6.653 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.775 4.944 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.775 4.464 8.006 1.00 0.00 H new ATOM 580 N ASP A 36 13.359 4.980 6.863 1.00 0.00 N ATOM 581 CA ASP A 36 14.791 5.138 7.050 1.00 0.00 C ATOM 582 C ASP A 36 15.521 3.984 6.359 1.00 0.00 C ATOM 583 O ASP A 36 16.633 4.158 5.862 1.00 0.00 O ATOM 584 CB ASP A 36 15.159 5.108 8.535 1.00 0.00 C ATOM 585 CG ASP A 36 14.408 6.115 9.407 1.00 0.00 C ATOM 586 OD1 ASP A 36 14.342 7.291 8.989 1.00 0.00 O ATOM 587 OD2 ASP A 36 13.916 5.686 10.474 1.00 0.00 O ATOM 0 H ASP A 36 12.961 4.147 7.298 1.00 0.00 H new ATOM 0 HA ASP A 36 15.083 6.098 6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.972 4.106 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.229 5.292 8.633 1.00 0.00 H new ATOM 592 N GLY A 37 14.866 2.833 6.350 1.00 0.00 N ATOM 593 CA GLY A 37 15.439 1.651 5.727 1.00 0.00 C ATOM 594 C GLY A 37 15.823 1.929 4.273 1.00 0.00 C ATOM 595 O GLY A 37 15.571 3.017 3.757 1.00 0.00 O ATOM 0 H GLY A 37 13.944 2.693 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.320 1.332 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.722 0.831 5.767 1.00 0.00 H new ATOM 599 N GLU A 38 16.427 0.926 3.651 1.00 0.00 N ATOM 600 CA GLU A 38 16.848 1.049 2.266 1.00 0.00 C ATOM 601 C GLU A 38 15.630 1.197 1.352 1.00 0.00 C ATOM 602 O GLU A 38 15.745 1.699 0.235 1.00 0.00 O ATOM 603 CB GLU A 38 17.705 -0.147 1.846 1.00 0.00 C ATOM 604 CG GLU A 38 16.863 -1.198 1.121 1.00 0.00 C ATOM 605 CD GLU A 38 17.516 -2.579 1.208 1.00 0.00 C ATOM 606 OE1 GLU A 38 18.466 -2.808 0.429 1.00 0.00 O ATOM 607 OE2 GLU A 38 17.050 -3.374 2.052 1.00 0.00 O ATOM 0 H GLU A 38 16.635 0.025 4.081 1.00 0.00 H new ATOM 0 HA GLU A 38 17.461 1.946 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.512 0.190 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.170 -0.592 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.865 -1.235 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.742 -0.914 0.076 1.00 0.00 H new ATOM 614 N MET A 39 14.490 0.753 1.861 1.00 0.00 N ATOM 615 CA MET A 39 13.252 0.830 1.105 1.00 0.00 C ATOM 616 C MET A 39 12.833 2.285 0.887 1.00 0.00 C ATOM 617 O MET A 39 11.897 2.560 0.137 1.00 0.00 O ATOM 618 CB MET A 39 12.146 0.087 1.858 1.00 0.00 C ATOM 619 CG MET A 39 12.464 -1.406 1.966 1.00 0.00 C ATOM 620 SD MET A 39 12.205 -2.201 0.389 1.00 0.00 S ATOM 621 CE MET A 39 13.898 -2.384 -0.147 1.00 0.00 C ATOM 0 H MET A 39 14.398 0.338 2.788 1.00 0.00 H new ATOM 0 HA MET A 39 13.414 0.368 0.131 1.00 0.00 H new ATOM 0 HB2 MET A 39 12.032 0.511 2.856 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.195 0.224 1.343 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.497 -1.544 2.287 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.830 -1.867 2.724 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.947 -3.117 -0.952 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.272 -1.425 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.510 -2.722 0.689 1.00 0.00 H new ATOM 631 N ALA A 40 13.546 3.179 1.556 1.00 0.00 N ATOM 632 CA ALA A 40 13.259 4.600 1.445 1.00 0.00 C ATOM 633 C ALA A 40 13.825 5.128 0.125 1.00 0.00 C ATOM 634 O ALA A 40 13.662 6.304 -0.198 1.00 0.00 O ATOM 635 CB ALA A 40 13.832 5.333 2.659 1.00 0.00 C ATOM 0 H ALA A 40 14.322 2.948 2.177 1.00 0.00 H new ATOM 0 HA ALA A 40 12.183 4.775 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.617 6.398 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.377 4.941 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.911 5.183 2.699 1.00 0.00 H new ATOM 641 N LYS A 41 14.478 4.233 -0.602 1.00 0.00 N ATOM 642 CA LYS A 41 15.068 4.595 -1.880 1.00 0.00 C ATOM 643 C LYS A 41 13.981 4.602 -2.956 1.00 0.00 C ATOM 644 O LYS A 41 14.201 5.090 -4.063 1.00 0.00 O ATOM 645 CB LYS A 41 16.248 3.675 -2.204 1.00 0.00 C ATOM 646 CG LYS A 41 15.761 2.310 -2.692 1.00 0.00 C ATOM 647 CD LYS A 41 16.934 1.441 -3.150 1.00 0.00 C ATOM 648 CE LYS A 41 17.397 1.841 -4.553 1.00 0.00 C ATOM 649 NZ LYS A 41 18.582 1.049 -4.952 1.00 0.00 N ATOM 0 H LYS A 41 14.611 3.259 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 41 15.480 5.603 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.874 4.136 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.869 3.548 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.221 1.805 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.059 2.443 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.762 1.541 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.638 0.392 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.589 1.684 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.638 2.904 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.884 1.332 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.356 1.220 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.340 0.038 -4.952 1.00 0.00 H new ATOM 663 N TYR A 42 12.830 4.054 -2.593 1.00 0.00 N ATOM 664 CA TYR A 42 11.708 3.991 -3.514 1.00 0.00 C ATOM 665 C TYR A 42 10.605 4.969 -3.101 1.00 0.00 C ATOM 666 O TYR A 42 9.460 4.835 -3.530 1.00 0.00 O ATOM 667 CB TYR A 42 11.167 2.563 -3.423 1.00 0.00 C ATOM 668 CG TYR A 42 11.829 1.584 -4.394 1.00 0.00 C ATOM 669 CD1 TYR A 42 11.425 1.540 -5.713 1.00 0.00 C ATOM 670 CD2 TYR A 42 12.831 0.744 -3.951 1.00 0.00 C ATOM 671 CE1 TYR A 42 12.048 0.619 -6.627 1.00 0.00 C ATOM 672 CE2 TYR A 42 13.454 -0.178 -4.865 1.00 0.00 C ATOM 673 CZ TYR A 42 13.032 -0.195 -6.158 1.00 0.00 C ATOM 674 OH TYR A 42 13.621 -1.065 -7.021 1.00 0.00 O ATOM 0 H TYR A 42 12.651 3.650 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 42 12.024 4.254 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.304 2.198 -2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.094 2.579 -3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.641 2.197 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 42 13.148 0.778 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.741 0.575 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 42 14.239 -0.841 -4.531 1.00 0.00 H new ATOM 0 HH TYR A 42 14.307 -1.581 -6.548 1.00 0.00 H new ATOM 684 N VAL A 43 10.990 5.930 -2.274 1.00 0.00 N ATOM 685 CA VAL A 43 10.048 6.929 -1.800 1.00 0.00 C ATOM 686 C VAL A 43 10.521 8.317 -2.236 1.00 0.00 C ATOM 687 O VAL A 43 11.670 8.687 -2.004 1.00 0.00 O ATOM 688 CB VAL A 43 9.874 6.806 -0.284 1.00 0.00 C ATOM 689 CG1 VAL A 43 8.976 7.921 0.256 1.00 0.00 C ATOM 690 CG2 VAL A 43 9.328 5.429 0.095 1.00 0.00 C ATOM 0 H VAL A 43 11.941 6.038 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 43 9.065 6.767 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 43 10.856 6.914 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.868 7.811 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.424 8.889 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.995 7.858 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.214 5.368 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.359 5.278 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.021 4.658 -0.241 1.00 0.00 H new ATOM 700 N GLN A 44 9.609 9.048 -2.862 1.00 0.00 N ATOM 701 CA GLN A 44 9.918 10.387 -3.333 1.00 0.00 C ATOM 702 C GLN A 44 8.944 11.401 -2.730 1.00 0.00 C ATOM 703 O GLN A 44 7.730 11.244 -2.845 1.00 0.00 O ATOM 704 CB GLN A 44 9.897 10.449 -4.862 1.00 0.00 C ATOM 705 CG GLN A 44 8.696 9.685 -5.424 1.00 0.00 C ATOM 706 CD GLN A 44 8.990 8.185 -5.504 1.00 0.00 C ATOM 707 OE1 GLN A 44 8.770 7.433 -4.569 1.00 0.00 O ATOM 708 NE2 GLN A 44 9.497 7.795 -6.670 1.00 0.00 N ATOM 0 H GLN A 44 8.656 8.738 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 44 10.926 10.642 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.856 11.489 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.820 10.027 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.824 9.855 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.450 10.065 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.656 8.478 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.727 6.813 -6.823 1.00 0.00 H new ATOM 717 N GLY A 45 9.513 12.417 -2.099 1.00 0.00 N ATOM 718 CA GLY A 45 8.710 13.456 -1.477 1.00 0.00 C ATOM 719 C GLY A 45 7.687 12.854 -0.511 1.00 0.00 C ATOM 720 O GLY A 45 6.599 13.399 -0.335 1.00 0.00 O ATOM 0 H GLY A 45 10.521 12.543 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.358 14.149 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.195 14.032 -2.246 1.00 0.00 H new ATOM 724 N ASP A 46 8.074 11.738 0.089 1.00 0.00 N ATOM 725 CA ASP A 46 7.204 11.056 1.033 1.00 0.00 C ATOM 726 C ASP A 46 6.178 10.222 0.263 1.00 0.00 C ATOM 727 O ASP A 46 5.355 9.534 0.864 1.00 0.00 O ATOM 728 CB ASP A 46 6.441 12.058 1.902 1.00 0.00 C ATOM 729 CG ASP A 46 6.358 11.694 3.386 1.00 0.00 C ATOM 730 OD1 ASP A 46 7.139 10.809 3.798 1.00 0.00 O ATOM 731 OD2 ASP A 46 5.514 12.308 4.074 1.00 0.00 O ATOM 0 H ASP A 46 8.978 11.289 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 46 7.825 10.426 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.917 13.034 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.429 12.159 1.511 1.00 0.00 H new ATOM 736 N ALA A 47 6.262 10.310 -1.057 1.00 0.00 N ATOM 737 CA ALA A 47 5.351 9.572 -1.915 1.00 0.00 C ATOM 738 C ALA A 47 6.100 8.406 -2.563 1.00 0.00 C ATOM 739 O ALA A 47 7.178 8.592 -3.126 1.00 0.00 O ATOM 740 CB ALA A 47 4.742 10.520 -2.949 1.00 0.00 C ATOM 0 H ALA A 47 6.947 10.881 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 47 4.530 9.154 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.059 9.966 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.197 11.314 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.536 10.957 -3.554 1.00 0.00 H new ATOM 746 N ILE A 48 5.500 7.229 -2.463 1.00 0.00 N ATOM 747 CA ILE A 48 6.097 6.033 -3.032 1.00 0.00 C ATOM 748 C ILE A 48 5.559 5.824 -4.449 1.00 0.00 C ATOM 749 O ILE A 48 4.435 6.221 -4.754 1.00 0.00 O ATOM 750 CB ILE A 48 5.879 4.833 -2.108 1.00 0.00 C ATOM 751 CG1 ILE A 48 6.586 3.589 -2.649 1.00 0.00 C ATOM 752 CG2 ILE A 48 4.387 4.587 -1.872 1.00 0.00 C ATOM 753 CD1 ILE A 48 6.253 2.358 -1.804 1.00 0.00 C ATOM 0 H ILE A 48 4.606 7.078 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 48 7.178 6.150 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 48 6.325 5.062 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.286 3.417 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.664 3.751 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.260 3.729 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.941 5.468 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.896 4.388 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.768 1.488 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.576 2.524 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.177 2.184 -1.823 1.00 0.00 H new ATOM 765 N GLY A 49 6.385 5.202 -5.277 1.00 0.00 N ATOM 766 CA GLY A 49 6.006 4.936 -6.654 1.00 0.00 C ATOM 767 C GLY A 49 5.352 3.560 -6.786 1.00 0.00 C ATOM 768 O GLY A 49 5.446 2.734 -5.879 1.00 0.00 O ATOM 0 H GLY A 49 7.316 4.874 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.316 5.705 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.887 4.987 -7.294 1.00 0.00 H new ATOM 772 N TYR A 50 4.704 3.355 -7.923 1.00 0.00 N ATOM 773 CA TYR A 50 4.034 2.092 -8.186 1.00 0.00 C ATOM 774 C TYR A 50 5.030 0.931 -8.174 1.00 0.00 C ATOM 775 O TYR A 50 4.714 -0.158 -7.696 1.00 0.00 O ATOM 776 CB TYR A 50 3.432 2.218 -9.587 1.00 0.00 C ATOM 777 CG TYR A 50 2.749 0.943 -10.088 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.509 -0.098 -10.583 1.00 0.00 C ATOM 779 CD2 TYR A 50 1.374 0.835 -10.044 1.00 0.00 C ATOM 780 CE1 TYR A 50 2.866 -1.297 -11.053 1.00 0.00 C ATOM 781 CE2 TYR A 50 0.732 -0.365 -10.515 1.00 0.00 C ATOM 782 CZ TYR A 50 1.509 -1.371 -10.996 1.00 0.00 C ATOM 783 OH TYR A 50 0.902 -2.504 -11.441 1.00 0.00 O ATOM 0 H TYR A 50 4.628 4.042 -8.673 1.00 0.00 H new ATOM 0 HA TYR A 50 3.281 1.891 -7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.706 3.031 -9.588 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.221 2.494 -10.287 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.585 -0.013 -10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.780 1.650 -9.657 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.448 -2.119 -11.442 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.343 -0.463 -10.487 1.00 0.00 H new ATOM 0 HH TYR A 50 0.183 -2.267 -12.063 1.00 0.00 H new ATOM 793 N GLU A 51 6.213 1.201 -8.706 1.00 0.00 N ATOM 794 CA GLU A 51 7.257 0.192 -8.763 1.00 0.00 C ATOM 795 C GLU A 51 7.758 -0.133 -7.354 1.00 0.00 C ATOM 796 O GLU A 51 7.899 -1.301 -6.996 1.00 0.00 O ATOM 797 CB GLU A 51 8.409 0.645 -9.663 1.00 0.00 C ATOM 798 CG GLU A 51 8.979 -0.532 -10.457 1.00 0.00 C ATOM 799 CD GLU A 51 9.331 -0.111 -11.885 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.378 0.114 -12.662 1.00 0.00 O ATOM 801 OE2 GLU A 51 10.545 -0.023 -12.168 1.00 0.00 O ATOM 0 H GLU A 51 6.472 2.105 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 51 6.836 -0.715 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.058 1.415 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.195 1.094 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.869 -0.915 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.252 -1.344 -10.482 1.00 0.00 H new ATOM 808 N GLY A 52 8.011 0.921 -6.593 1.00 0.00 N ATOM 809 CA GLY A 52 8.493 0.762 -5.231 1.00 0.00 C ATOM 810 C GLY A 52 7.532 -0.097 -4.406 1.00 0.00 C ATOM 811 O GLY A 52 7.964 -0.906 -3.587 1.00 0.00 O ATOM 0 H GLY A 52 7.891 1.888 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.480 0.301 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.604 1.741 -4.764 1.00 0.00 H new ATOM 815 N PHE A 53 6.246 0.109 -4.652 1.00 0.00 N ATOM 816 CA PHE A 53 5.220 -0.636 -3.942 1.00 0.00 C ATOM 817 C PHE A 53 5.414 -2.143 -4.121 1.00 0.00 C ATOM 818 O PHE A 53 5.022 -2.930 -3.261 1.00 0.00 O ATOM 819 CB PHE A 53 3.874 -0.232 -4.547 1.00 0.00 C ATOM 820 CG PHE A 53 2.744 -0.106 -3.523 1.00 0.00 C ATOM 821 CD1 PHE A 53 2.135 -1.223 -3.043 1.00 0.00 C ATOM 822 CD2 PHE A 53 2.350 1.123 -3.094 1.00 0.00 C ATOM 823 CE1 PHE A 53 1.086 -1.106 -2.093 1.00 0.00 C ATOM 824 CE2 PHE A 53 1.301 1.239 -2.143 1.00 0.00 C ATOM 825 CZ PHE A 53 0.691 0.123 -1.663 1.00 0.00 C ATOM 0 H PHE A 53 5.891 0.781 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 53 5.270 -0.414 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.991 0.721 -5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.589 -0.969 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.449 -2.198 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.834 2.010 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.602 -1.993 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.988 2.214 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.107 0.212 -0.941 1.00 0.00 H new ATOM 835 N GLN A 54 6.019 -2.500 -5.245 1.00 0.00 N ATOM 836 CA GLN A 54 6.270 -3.899 -5.548 1.00 0.00 C ATOM 837 C GLN A 54 7.186 -4.516 -4.488 1.00 0.00 C ATOM 838 O GLN A 54 6.808 -5.476 -3.819 1.00 0.00 O ATOM 839 CB GLN A 54 6.866 -4.058 -6.947 1.00 0.00 C ATOM 840 CG GLN A 54 6.128 -3.182 -7.961 1.00 0.00 C ATOM 841 CD GLN A 54 5.424 -4.038 -9.016 1.00 0.00 C ATOM 842 OE1 GLN A 54 4.909 -5.110 -8.741 1.00 0.00 O ATOM 843 NE2 GLN A 54 5.430 -3.508 -10.236 1.00 0.00 N ATOM 0 H GLN A 54 6.343 -1.845 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 54 5.319 -4.431 -5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.922 -3.788 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.809 -5.102 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.397 -2.560 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.834 -2.508 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.879 -2.607 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.986 -4.003 -11.009 1.00 0.00 H new ATOM 852 N GLN A 55 8.372 -3.938 -4.369 1.00 0.00 N ATOM 853 CA GLN A 55 9.345 -4.419 -3.402 1.00 0.00 C ATOM 854 C GLN A 55 8.750 -4.392 -1.993 1.00 0.00 C ATOM 855 O GLN A 55 9.194 -5.129 -1.113 1.00 0.00 O ATOM 856 CB GLN A 55 10.635 -3.600 -3.469 1.00 0.00 C ATOM 857 CG GLN A 55 10.378 -2.140 -3.092 1.00 0.00 C ATOM 858 CD GLN A 55 11.646 -1.485 -2.539 1.00 0.00 C ATOM 859 OE1 GLN A 55 12.759 -1.915 -2.793 1.00 0.00 O ATOM 860 NE2 GLN A 55 11.415 -0.423 -1.773 1.00 0.00 N ATOM 0 H GLN A 55 8.682 -3.141 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 55 9.596 -5.451 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.377 -4.028 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.051 -3.652 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.032 -1.590 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.583 -2.087 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.457 -0.117 -1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.195 0.085 -1.357 1.00 0.00 H new ATOM 869 N PHE A 56 7.754 -3.535 -1.821 1.00 0.00 N ATOM 870 CA PHE A 56 7.095 -3.402 -0.534 1.00 0.00 C ATOM 871 C PHE A 56 6.335 -4.680 -0.172 1.00 0.00 C ATOM 872 O PHE A 56 6.498 -5.215 0.923 1.00 0.00 O ATOM 873 CB PHE A 56 6.098 -2.248 -0.659 1.00 0.00 C ATOM 874 CG PHE A 56 5.758 -1.572 0.671 1.00 0.00 C ATOM 875 CD1 PHE A 56 5.157 -2.284 1.662 1.00 0.00 C ATOM 876 CD2 PHE A 56 6.057 -0.259 0.862 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.842 -1.656 2.896 1.00 0.00 C ATOM 878 CE2 PHE A 56 5.742 0.368 2.096 1.00 0.00 C ATOM 879 CZ PHE A 56 5.141 -0.344 3.087 1.00 0.00 C ATOM 0 H PHE A 56 7.388 -2.926 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 56 7.835 -3.218 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.506 -1.501 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.179 -2.623 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.919 -3.327 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.534 0.306 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.365 -2.221 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.980 1.411 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.901 0.133 4.026 1.00 0.00 H new ATOM 889 N LEU A 57 5.521 -5.133 -1.115 1.00 0.00 N ATOM 890 CA LEU A 57 4.736 -6.338 -0.910 1.00 0.00 C ATOM 891 C LEU A 57 5.677 -7.534 -0.750 1.00 0.00 C ATOM 892 O LEU A 57 5.300 -8.552 -0.172 1.00 0.00 O ATOM 893 CB LEU A 57 3.711 -6.507 -2.033 1.00 0.00 C ATOM 894 CG LEU A 57 2.546 -5.515 -2.033 1.00 0.00 C ATOM 895 CD1 LEU A 57 2.202 -5.074 -3.457 1.00 0.00 C ATOM 896 CD2 LEU A 57 1.332 -6.095 -1.304 1.00 0.00 C ATOM 0 H LEU A 57 5.389 -4.687 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 57 4.157 -6.263 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.231 -6.426 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.303 -7.516 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 57 2.855 -4.625 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.371 -4.369 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.070 -4.594 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.920 -5.944 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.518 -5.370 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.012 -7.010 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.600 -6.319 -0.271 1.00 0.00 H new ATOM 908 N LYS A 58 6.883 -7.371 -1.273 1.00 0.00 N ATOM 909 CA LYS A 58 7.880 -8.424 -1.196 1.00 0.00 C ATOM 910 C LYS A 58 8.314 -8.604 0.260 1.00 0.00 C ATOM 911 O LYS A 58 8.175 -9.689 0.823 1.00 0.00 O ATOM 912 CB LYS A 58 9.040 -8.135 -2.152 1.00 0.00 C ATOM 913 CG LYS A 58 10.161 -9.162 -1.981 1.00 0.00 C ATOM 914 CD LYS A 58 10.700 -9.617 -3.338 1.00 0.00 C ATOM 915 CE LYS A 58 12.029 -10.357 -3.180 1.00 0.00 C ATOM 916 NZ LYS A 58 13.166 -9.433 -3.393 1.00 0.00 N ATOM 0 H LYS A 58 7.192 -6.525 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 58 7.457 -9.374 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.681 -8.152 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.428 -7.134 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.969 -8.729 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.788 -10.023 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.972 -10.268 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.836 -8.752 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.091 -10.796 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.082 -11.179 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.060 -9.952 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.114 -9.034 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.123 -8.663 -2.695 1.00 0.00 H new ATOM 930 N ILE A 59 8.831 -7.525 0.828 1.00 0.00 N ATOM 931 CA ILE A 59 9.286 -7.550 2.208 1.00 0.00 C ATOM 932 C ILE A 59 8.073 -7.613 3.139 1.00 0.00 C ATOM 933 O ILE A 59 8.030 -8.435 4.053 1.00 0.00 O ATOM 934 CB ILE A 59 10.215 -6.367 2.488 1.00 0.00 C ATOM 935 CG1 ILE A 59 11.447 -6.412 1.582 1.00 0.00 C ATOM 936 CG2 ILE A 59 10.594 -6.306 3.969 1.00 0.00 C ATOM 937 CD1 ILE A 59 12.097 -5.031 1.472 1.00 0.00 C ATOM 0 H ILE A 59 8.945 -6.627 0.358 1.00 0.00 H new ATOM 0 HA ILE A 59 9.881 -8.444 2.397 1.00 0.00 H new ATOM 0 HB ILE A 59 9.678 -5.448 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.168 -7.127 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.161 -6.763 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.255 -5.456 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.692 -6.192 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.105 -7.226 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.970 -5.091 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.381 -4.324 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.403 -4.693 2.462 1.00 0.00 H new ATOM 949 N TYR A 60 7.117 -6.735 2.874 1.00 0.00 N ATOM 950 CA TYR A 60 5.908 -6.680 3.677 1.00 0.00 C ATOM 951 C TYR A 60 5.348 -8.083 3.921 1.00 0.00 C ATOM 952 O TYR A 60 5.372 -8.578 5.046 1.00 0.00 O ATOM 953 CB TYR A 60 4.895 -5.875 2.860 1.00 0.00 C ATOM 954 CG TYR A 60 3.508 -5.789 3.499 1.00 0.00 C ATOM 955 CD1 TYR A 60 3.385 -5.527 4.848 1.00 0.00 C ATOM 956 CD2 TYR A 60 2.379 -5.972 2.726 1.00 0.00 C ATOM 957 CE1 TYR A 60 2.079 -5.445 5.449 1.00 0.00 C ATOM 958 CE2 TYR A 60 1.073 -5.891 3.327 1.00 0.00 C ATOM 959 CZ TYR A 60 0.988 -5.631 4.659 1.00 0.00 C ATOM 960 OH TYR A 60 -0.246 -5.554 5.227 1.00 0.00 O ATOM 0 H TYR A 60 7.155 -6.056 2.114 1.00 0.00 H new ATOM 0 HA TYR A 60 6.113 -6.231 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.280 -4.866 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.801 -6.325 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.268 -5.383 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.475 -6.176 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.968 -5.240 6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.182 -6.033 2.734 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.749 -4.820 4.817 1.00 0.00 H new ATOM 970 N LEU A 61 4.856 -8.684 2.847 1.00 0.00 N ATOM 971 CA LEU A 61 4.291 -10.020 2.930 1.00 0.00 C ATOM 972 C LEU A 61 5.425 -11.044 3.018 1.00 0.00 C ATOM 973 O LEU A 61 5.192 -12.207 3.344 1.00 0.00 O ATOM 974 CB LEU A 61 3.328 -10.268 1.768 1.00 0.00 C ATOM 975 CG LEU A 61 1.956 -9.600 1.880 1.00 0.00 C ATOM 976 CD1 LEU A 61 1.458 -9.137 0.510 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.951 -10.524 2.572 1.00 0.00 C ATOM 0 H LEU A 61 4.837 -8.270 1.915 1.00 0.00 H new ATOM 0 HA LEU A 61 3.694 -10.125 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.803 -9.925 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.180 -11.343 1.668 1.00 0.00 H new ATOM 0 HG LEU A 61 2.059 -8.711 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.481 -8.666 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.163 -8.419 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.375 -9.996 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.016 -10.025 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.846 -11.444 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.306 -10.762 3.575 1.00 0.00 H new ATOM 989 N GLU A 62 6.628 -10.575 2.722 1.00 0.00 N ATOM 990 CA GLU A 62 7.798 -11.435 2.764 1.00 0.00 C ATOM 991 C GLU A 62 7.786 -12.405 1.581 1.00 0.00 C ATOM 992 O GLU A 62 8.645 -13.279 1.482 1.00 0.00 O ATOM 993 CB GLU A 62 7.876 -12.191 4.092 1.00 0.00 C ATOM 994 CG GLU A 62 9.116 -11.776 4.886 1.00 0.00 C ATOM 995 CD GLU A 62 10.199 -12.854 4.815 1.00 0.00 C ATOM 996 OE1 GLU A 62 10.888 -12.898 3.773 1.00 0.00 O ATOM 997 OE2 GLU A 62 10.313 -13.611 5.803 1.00 0.00 O ATOM 0 H GLU A 62 6.818 -9.610 2.452 1.00 0.00 H new ATOM 0 HA GLU A 62 8.687 -10.810 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.980 -11.993 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.903 -13.264 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.506 -10.837 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.843 -11.598 5.926 1.00 0.00 H new ATOM 1004 N VAL A 63 6.803 -12.217 0.713 1.00 0.00 N ATOM 1005 CA VAL A 63 6.668 -13.065 -0.460 1.00 0.00 C ATOM 1006 C VAL A 63 7.919 -12.928 -1.329 1.00 0.00 C ATOM 1007 O VAL A 63 8.648 -11.943 -1.225 1.00 0.00 O ATOM 1008 CB VAL A 63 5.379 -12.720 -1.209 1.00 0.00 C ATOM 1009 CG1 VAL A 63 4.163 -13.348 -0.525 1.00 0.00 C ATOM 1010 CG2 VAL A 63 5.212 -11.205 -1.344 1.00 0.00 C ATOM 0 H VAL A 63 6.092 -11.490 0.798 1.00 0.00 H new ATOM 0 HA VAL A 63 6.588 -14.112 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 63 5.452 -13.139 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.260 -13.087 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.276 -14.432 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.085 -12.973 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.288 -10.987 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.171 -10.754 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.057 -10.794 -1.896 1.00 0.00 H new ATOM 1020 N ASP A 64 8.131 -13.932 -2.168 1.00 0.00 N ATOM 1021 CA ASP A 64 9.282 -13.937 -3.055 1.00 0.00 C ATOM 1022 C ASP A 64 8.930 -13.191 -4.344 1.00 0.00 C ATOM 1023 O ASP A 64 9.813 -12.847 -5.127 1.00 0.00 O ATOM 1024 CB ASP A 64 9.683 -15.365 -3.429 1.00 0.00 C ATOM 1025 CG ASP A 64 11.183 -15.580 -3.644 1.00 0.00 C ATOM 1026 OD1 ASP A 64 11.957 -14.769 -3.091 1.00 0.00 O ATOM 1027 OD2 ASP A 64 11.520 -16.550 -4.355 1.00 0.00 O ATOM 0 H ASP A 64 7.525 -14.748 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 64 10.110 -13.455 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.344 -16.039 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.156 -15.647 -4.341 1.00 0.00 H new ATOM 1032 N ASN A 65 7.637 -12.965 -4.524 1.00 0.00 N ATOM 1033 CA ASN A 65 7.157 -12.267 -5.705 1.00 0.00 C ATOM 1034 C ASN A 65 5.647 -12.054 -5.588 1.00 0.00 C ATOM 1035 O ASN A 65 4.882 -13.016 -5.546 1.00 0.00 O ATOM 1036 CB ASN A 65 7.423 -13.081 -6.972 1.00 0.00 C ATOM 1037 CG ASN A 65 7.600 -14.565 -6.644 1.00 0.00 C ATOM 1038 OD1 ASN A 65 8.681 -15.123 -6.737 1.00 0.00 O ATOM 1039 ND2 ASN A 65 6.481 -15.170 -6.254 1.00 0.00 N ATOM 0 H ASN A 65 6.907 -13.253 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 65 7.684 -11.315 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.595 -12.955 -7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.318 -12.706 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.495 -16.161 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.609 -14.643 -6.198 1.00 0.00 H new ATOM 1046 N VAL A 66 5.262 -10.787 -5.537 1.00 0.00 N ATOM 1047 CA VAL A 66 3.857 -10.435 -5.425 1.00 0.00 C ATOM 1048 C VAL A 66 3.243 -10.353 -6.824 1.00 0.00 C ATOM 1049 O VAL A 66 3.924 -9.997 -7.785 1.00 0.00 O ATOM 1050 CB VAL A 66 3.703 -9.138 -4.628 1.00 0.00 C ATOM 1051 CG1 VAL A 66 3.200 -8.002 -5.522 1.00 0.00 C ATOM 1052 CG2 VAL A 66 2.780 -9.340 -3.425 1.00 0.00 C ATOM 0 H VAL A 66 5.899 -9.991 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 66 3.314 -11.204 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 66 4.686 -8.857 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.099 -7.092 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.911 -7.833 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.231 -8.271 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.688 -8.403 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.796 -9.656 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.198 -10.105 -2.770 1.00 0.00 H new ATOM 1062 N PRO A 67 1.929 -10.698 -6.897 1.00 0.00 N ATOM 1063 CA PRO A 67 1.216 -10.667 -8.163 1.00 0.00 C ATOM 1064 C PRO A 67 0.898 -9.229 -8.577 1.00 0.00 C ATOM 1065 O PRO A 67 0.406 -8.442 -7.771 1.00 0.00 O ATOM 1066 CB PRO A 67 -0.028 -11.509 -7.934 1.00 0.00 C ATOM 1067 CG PRO A 67 -0.202 -11.595 -6.426 1.00 0.00 C ATOM 1068 CD PRO A 67 1.091 -11.125 -5.781 1.00 0.00 C ATOM 0 HA PRO A 67 1.805 -11.067 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.900 -11.053 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.086 -12.501 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.038 -10.975 -6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.429 -12.618 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.911 -10.306 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.565 -11.927 -5.214 1.00 0.00 H new ATOM 1076 N ARG A 68 1.191 -8.931 -9.835 1.00 0.00 N ATOM 1077 CA ARG A 68 0.942 -7.602 -10.366 1.00 0.00 C ATOM 1078 C ARG A 68 -0.552 -7.276 -10.301 1.00 0.00 C ATOM 1079 O ARG A 68 -0.931 -6.120 -10.118 1.00 0.00 O ATOM 1080 CB ARG A 68 1.419 -7.490 -11.815 1.00 0.00 C ATOM 1081 CG ARG A 68 2.541 -6.457 -11.945 1.00 0.00 C ATOM 1082 CD ARG A 68 2.307 -5.542 -13.148 1.00 0.00 C ATOM 1083 NE ARG A 68 3.604 -5.100 -13.707 1.00 0.00 N ATOM 1084 CZ ARG A 68 3.729 -4.222 -14.712 1.00 0.00 C ATOM 1085 NH1 ARG A 68 2.637 -3.687 -15.274 1.00 0.00 N ATOM 1086 NH2 ARG A 68 4.946 -3.879 -15.155 1.00 0.00 N ATOM 0 H ARG A 68 1.598 -9.587 -10.501 1.00 0.00 H new ATOM 0 HA ARG A 68 1.499 -6.891 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.772 -8.461 -12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.584 -7.207 -12.456 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.598 -5.860 -11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.499 -6.966 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.734 -6.069 -13.910 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.717 -4.676 -12.848 1.00 0.00 H new ATOM 0 HE ARG A 68 4.456 -5.488 -13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.710 -3.948 -14.937 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.732 -3.019 -16.039 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.778 -4.286 -14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.041 -3.211 -15.920 1.00 0.00 H new ATOM 1100 N HIS A 69 -1.359 -8.315 -10.456 1.00 0.00 N ATOM 1101 CA HIS A 69 -2.802 -8.153 -10.417 1.00 0.00 C ATOM 1102 C HIS A 69 -3.204 -7.429 -9.130 1.00 0.00 C ATOM 1103 O HIS A 69 -3.965 -6.464 -9.169 1.00 0.00 O ATOM 1104 CB HIS A 69 -3.505 -9.503 -10.581 1.00 0.00 C ATOM 1105 CG HIS A 69 -3.887 -9.827 -12.006 1.00 0.00 C ATOM 1106 ND1 HIS A 69 -5.201 -9.873 -12.437 1.00 0.00 N ATOM 1107 CD2 HIS A 69 -3.115 -10.118 -13.092 1.00 0.00 C ATOM 1108 CE1 HIS A 69 -5.208 -10.181 -13.726 1.00 0.00 C ATOM 1109 NE2 HIS A 69 -3.914 -10.333 -14.129 1.00 0.00 N ATOM 0 H HIS A 69 -1.041 -9.272 -10.609 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.124 -7.536 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.852 -10.290 -10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.404 -9.511 -9.964 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.036 -10.165 -13.105 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.084 -10.292 -14.348 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.610 -10.573 -15.073 1.00 0.00 H new ATOM 1117 N LEU A 70 -2.673 -7.923 -8.021 1.00 0.00 N ATOM 1118 CA LEU A 70 -2.966 -7.335 -6.725 1.00 0.00 C ATOM 1119 C LEU A 70 -2.201 -6.018 -6.583 1.00 0.00 C ATOM 1120 O LEU A 70 -2.767 -5.008 -6.167 1.00 0.00 O ATOM 1121 CB LEU A 70 -2.680 -8.337 -5.605 1.00 0.00 C ATOM 1122 CG LEU A 70 -2.427 -7.740 -4.219 1.00 0.00 C ATOM 1123 CD1 LEU A 70 -3.742 -7.504 -3.475 1.00 0.00 C ATOM 1124 CD2 LEU A 70 -1.461 -8.612 -3.415 1.00 0.00 C ATOM 0 H LEU A 70 -2.042 -8.724 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.027 -7.098 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.524 -9.023 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.810 -8.929 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.952 -6.767 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.533 -7.079 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.363 -6.813 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.268 -8.451 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.298 -8.165 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.885 -9.609 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.510 -8.684 -3.943 1.00 0.00 H new ATOM 1136 N SER A 71 -0.925 -6.071 -6.936 1.00 0.00 N ATOM 1137 CA SER A 71 -0.076 -4.895 -6.852 1.00 0.00 C ATOM 1138 C SER A 71 -0.673 -3.758 -7.684 1.00 0.00 C ATOM 1139 O SER A 71 -0.417 -2.586 -7.413 1.00 0.00 O ATOM 1140 CB SER A 71 1.346 -5.207 -7.324 1.00 0.00 C ATOM 1141 OG SER A 71 2.281 -5.192 -6.249 1.00 0.00 O ATOM 0 H SER A 71 -0.459 -6.910 -7.281 1.00 0.00 H new ATOM 0 HA SER A 71 -0.024 -4.585 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.362 -6.185 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.647 -4.477 -8.076 1.00 0.00 H new ATOM 0 HG SER A 71 3.176 -5.397 -6.591 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.458 -4.145 -8.679 1.00 0.00 N ATOM 1148 CA LEU A 72 -2.094 -3.172 -9.551 1.00 0.00 C ATOM 1149 C LEU A 72 -3.259 -2.514 -8.811 1.00 0.00 C ATOM 1150 O LEU A 72 -3.376 -1.290 -8.793 1.00 0.00 O ATOM 1151 CB LEU A 72 -2.496 -3.824 -10.876 1.00 0.00 C ATOM 1152 CG LEU A 72 -3.673 -3.178 -11.611 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -3.323 -1.761 -12.068 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -4.141 -4.056 -12.773 1.00 0.00 C ATOM 0 H LEU A 72 -1.668 -5.118 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.394 -2.378 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.631 -3.817 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.742 -4.868 -10.684 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.507 -3.094 -10.914 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.176 -1.325 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.075 -1.150 -11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.468 -1.797 -12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.978 -3.575 -13.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.321 -4.193 -13.478 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.458 -5.027 -12.391 1.00 0.00 H new ATOM 1166 N ALA A 73 -4.093 -3.356 -8.217 1.00 0.00 N ATOM 1167 CA ALA A 73 -5.245 -2.872 -7.477 1.00 0.00 C ATOM 1168 C ALA A 73 -4.773 -2.221 -6.176 1.00 0.00 C ATOM 1169 O ALA A 73 -5.442 -1.338 -5.640 1.00 0.00 O ATOM 1170 CB ALA A 73 -6.217 -4.027 -7.232 1.00 0.00 C ATOM 0 H ALA A 73 -3.993 -4.371 -8.234 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.778 -2.114 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.082 -3.663 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.545 -4.435 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.718 -4.807 -6.657 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.624 -2.681 -5.704 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.054 -2.155 -4.475 1.00 0.00 C ATOM 1178 C LEU A 74 -2.788 -0.658 -4.642 1.00 0.00 C ATOM 1179 O LEU A 74 -3.027 0.125 -3.724 1.00 0.00 O ATOM 1180 CB LEU A 74 -1.817 -2.959 -4.071 1.00 0.00 C ATOM 1181 CG LEU A 74 -2.042 -4.062 -3.035 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.848 -5.018 -2.984 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -2.360 -3.468 -1.662 1.00 0.00 C ATOM 0 H LEU A 74 -3.072 -3.413 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.759 -2.264 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.394 -3.411 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.071 -2.268 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.910 -4.647 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.034 -5.792 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.710 -5.480 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.051 -4.463 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.516 -4.273 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.528 -2.845 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.263 -2.862 -1.728 1.00 0.00 H new ATOM 1195 N PHE A 75 -2.295 -0.305 -5.821 1.00 0.00 N ATOM 1196 CA PHE A 75 -1.994 1.085 -6.120 1.00 0.00 C ATOM 1197 C PHE A 75 -3.276 1.910 -6.241 1.00 0.00 C ATOM 1198 O PHE A 75 -3.336 3.044 -5.767 1.00 0.00 O ATOM 1199 CB PHE A 75 -1.259 1.104 -7.462 1.00 0.00 C ATOM 1200 CG PHE A 75 -0.691 2.473 -7.840 1.00 0.00 C ATOM 1201 CD1 PHE A 75 0.483 2.896 -7.298 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -1.358 3.268 -8.719 1.00 0.00 C ATOM 1203 CE1 PHE A 75 1.011 4.166 -7.649 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -0.830 4.539 -9.070 1.00 0.00 C ATOM 1205 CZ PHE A 75 0.343 4.961 -8.527 1.00 0.00 C ATOM 0 H PHE A 75 -2.097 -0.957 -6.580 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.392 1.516 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.444 0.380 -7.429 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.944 0.777 -8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.014 2.265 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.290 2.933 -9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.943 4.501 -7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.360 5.170 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.744 5.928 -8.793 1.00 0.00 H new ATOM 1215 N GLN A 76 -4.270 1.310 -6.879 1.00 0.00 N ATOM 1216 CA GLN A 76 -5.548 1.976 -7.069 1.00 0.00 C ATOM 1217 C GLN A 76 -6.102 2.454 -5.726 1.00 0.00 C ATOM 1218 O GLN A 76 -6.948 3.346 -5.682 1.00 0.00 O ATOM 1219 CB GLN A 76 -6.545 1.056 -7.777 1.00 0.00 C ATOM 1220 CG GLN A 76 -6.143 0.831 -9.236 1.00 0.00 C ATOM 1221 CD GLN A 76 -7.142 -0.086 -9.945 1.00 0.00 C ATOM 1222 OE1 GLN A 76 -7.882 -0.834 -9.329 1.00 0.00 O ATOM 1223 NE2 GLN A 76 -7.120 0.013 -11.271 1.00 0.00 N ATOM 0 H GLN A 76 -4.217 0.370 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.391 2.847 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.594 0.099 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.543 1.493 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.091 1.788 -9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.147 0.391 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.475 0.660 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.749 -0.558 -11.836 1.00 0.00 H new ATOM 1232 N SER A 77 -5.601 1.841 -4.663 1.00 0.00 N ATOM 1233 CA SER A 77 -6.036 2.194 -3.322 1.00 0.00 C ATOM 1234 C SER A 77 -5.546 3.599 -2.966 1.00 0.00 C ATOM 1235 O SER A 77 -4.618 3.754 -2.174 1.00 0.00 O ATOM 1236 CB SER A 77 -5.530 1.179 -2.295 1.00 0.00 C ATOM 1237 OG SER A 77 -6.094 -0.114 -2.499 1.00 0.00 O ATOM 0 H SER A 77 -4.898 1.103 -4.703 1.00 0.00 H new ATOM 0 HA SER A 77 -7.126 2.180 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.444 1.114 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.774 1.527 -1.291 1.00 0.00 H new ATOM 0 HG SER A 77 -5.745 -0.733 -1.825 1.00 0.00 H new ATOM 1243 N PHE A 78 -6.192 4.586 -3.568 1.00 0.00 N ATOM 1244 CA PHE A 78 -5.834 5.973 -3.324 1.00 0.00 C ATOM 1245 C PHE A 78 -4.386 6.246 -3.735 1.00 0.00 C ATOM 1246 O PHE A 78 -3.619 5.315 -3.974 1.00 0.00 O ATOM 1247 CB PHE A 78 -5.979 6.215 -1.820 1.00 0.00 C ATOM 1248 CG PHE A 78 -5.922 7.690 -1.418 1.00 0.00 C ATOM 1249 CD1 PHE A 78 -6.898 8.544 -1.829 1.00 0.00 C ATOM 1250 CD2 PHE A 78 -4.897 8.147 -0.651 1.00 0.00 C ATOM 1251 CE1 PHE A 78 -6.846 9.913 -1.456 1.00 0.00 C ATOM 1252 CE2 PHE A 78 -4.845 9.516 -0.278 1.00 0.00 C ATOM 1253 CZ PHE A 78 -5.820 10.371 -0.689 1.00 0.00 C ATOM 0 H PHE A 78 -6.961 4.453 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.479 6.631 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.927 5.794 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.188 5.676 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.712 8.181 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.122 7.469 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.621 10.591 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.031 9.879 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.780 11.413 -0.407 1.00 0.00 H new ATOM 1263 N GLU A 79 -4.056 7.527 -3.805 1.00 0.00 N ATOM 1264 CA GLU A 79 -2.713 7.934 -4.184 1.00 0.00 C ATOM 1265 C GLU A 79 -2.252 9.111 -3.321 1.00 0.00 C ATOM 1266 O GLU A 79 -2.933 9.492 -2.370 1.00 0.00 O ATOM 1267 CB GLU A 79 -2.645 8.286 -5.671 1.00 0.00 C ATOM 1268 CG GLU A 79 -2.931 7.058 -6.538 1.00 0.00 C ATOM 1269 CD GLU A 79 -4.437 6.839 -6.698 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -5.128 7.837 -6.997 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -4.863 5.677 -6.518 1.00 0.00 O ATOM 0 H GLU A 79 -4.695 8.297 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.039 7.095 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.367 9.071 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.658 8.683 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.472 7.186 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.477 6.176 -6.086 1.00 0.00 H new ATOM 1455 N ASP A 92 2.474 9.477 -10.318 1.00 0.00 N ATOM 1456 CA ASP A 92 1.826 8.245 -9.900 1.00 0.00 C ATOM 1457 C ASP A 92 2.506 7.720 -8.634 1.00 0.00 C ATOM 1458 O ASP A 92 3.289 6.774 -8.693 1.00 0.00 O ATOM 1459 CB ASP A 92 1.941 7.168 -10.980 1.00 0.00 C ATOM 1460 CG ASP A 92 1.844 7.681 -12.418 1.00 0.00 C ATOM 1461 OD1 ASP A 92 2.793 8.377 -12.838 1.00 0.00 O ATOM 1462 OD2 ASP A 92 0.821 7.365 -13.065 1.00 0.00 O ATOM 0 HA ASP A 92 0.773 8.463 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.894 6.652 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.156 6.429 -10.820 1.00 0.00 H new ATOM 1467 N VAL A 93 2.181 8.357 -7.518 1.00 0.00 N ATOM 1468 CA VAL A 93 2.750 7.966 -6.240 1.00 0.00 C ATOM 1469 C VAL A 93 1.642 7.914 -5.187 1.00 0.00 C ATOM 1470 O VAL A 93 0.571 8.488 -5.379 1.00 0.00 O ATOM 1471 CB VAL A 93 3.890 8.914 -5.863 1.00 0.00 C ATOM 1472 CG1 VAL A 93 5.131 8.648 -6.717 1.00 0.00 C ATOM 1473 CG2 VAL A 93 3.448 10.375 -5.978 1.00 0.00 C ATOM 0 H VAL A 93 1.531 9.141 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 93 3.183 6.968 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 93 4.153 8.724 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.926 9.336 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.465 7.622 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.887 8.796 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.277 11.028 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.145 10.584 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.608 10.555 -5.307 1.00 0.00 H new ATOM 1483 N VAL A 94 1.937 7.222 -4.097 1.00 0.00 N ATOM 1484 CA VAL A 94 0.978 7.088 -3.013 1.00 0.00 C ATOM 1485 C VAL A 94 1.669 7.404 -1.685 1.00 0.00 C ATOM 1486 O VAL A 94 2.865 7.163 -1.531 1.00 0.00 O ATOM 1487 CB VAL A 94 0.347 5.694 -3.042 1.00 0.00 C ATOM 1488 CG1 VAL A 94 -0.614 5.504 -1.866 1.00 0.00 C ATOM 1489 CG2 VAL A 94 -0.360 5.440 -4.375 1.00 0.00 C ATOM 0 H VAL A 94 2.826 6.748 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 94 0.163 7.802 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 94 1.147 4.961 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.049 4.506 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.070 5.622 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.408 6.249 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.800 4.443 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.146 6.182 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.361 5.514 -5.189 1.00 0.00 H new ATOM 1499 N CYS A 95 0.886 7.939 -0.760 1.00 0.00 N ATOM 1500 CA CYS A 95 1.408 8.290 0.550 1.00 0.00 C ATOM 1501 C CYS A 95 1.567 7.005 1.364 1.00 0.00 C ATOM 1502 O CYS A 95 0.605 6.516 1.955 1.00 0.00 O ATOM 1503 CB CYS A 95 0.514 9.309 1.260 1.00 0.00 C ATOM 1504 SG CYS A 95 1.097 11.007 0.908 1.00 0.00 S ATOM 0 H CYS A 95 -0.106 8.138 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 95 2.380 8.771 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.518 9.194 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.525 9.128 2.335 1.00 0.00 H new ATOM 0 HG CYS A 95 0.330 11.864 1.514 1.00 0.00 H new ATOM 1510 N LEU A 96 2.790 6.494 1.369 1.00 0.00 N ATOM 1511 CA LEU A 96 3.088 5.274 2.102 1.00 0.00 C ATOM 1512 C LEU A 96 2.517 5.382 3.517 1.00 0.00 C ATOM 1513 O LEU A 96 2.250 4.369 4.162 1.00 0.00 O ATOM 1514 CB LEU A 96 4.588 4.980 2.064 1.00 0.00 C ATOM 1515 CG LEU A 96 5.484 5.962 2.822 1.00 0.00 C ATOM 1516 CD1 LEU A 96 6.953 5.542 2.738 1.00 0.00 C ATOM 1517 CD2 LEU A 96 5.267 7.394 2.330 1.00 0.00 C ATOM 0 H LEU A 96 3.585 6.902 0.878 1.00 0.00 H new ATOM 0 HA LEU A 96 2.607 4.418 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.753 3.982 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.907 4.958 1.022 1.00 0.00 H new ATOM 0 HG LEU A 96 5.203 5.938 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.568 6.257 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.074 4.551 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.266 5.519 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.916 8.072 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.504 7.454 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.226 7.679 2.486 1.00 0.00 H new ATOM 1529 N ASN A 97 2.348 6.620 3.960 1.00 0.00 N ATOM 1530 CA ASN A 97 1.814 6.873 5.287 1.00 0.00 C ATOM 1531 C ASN A 97 0.311 6.591 5.290 1.00 0.00 C ATOM 1532 O ASN A 97 -0.196 5.915 6.184 1.00 0.00 O ATOM 1533 CB ASN A 97 2.023 8.333 5.695 1.00 0.00 C ATOM 1534 CG ASN A 97 1.664 9.279 4.548 1.00 0.00 C ATOM 1535 OD1 ASN A 97 2.346 9.360 3.539 1.00 0.00 O ATOM 1536 ND2 ASN A 97 0.560 9.990 4.757 1.00 0.00 N ATOM 0 H ASN A 97 2.572 7.458 3.423 1.00 0.00 H new ATOM 0 HA ASN A 97 2.336 6.224 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.409 8.562 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.062 8.488 5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.238 10.651 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.035 9.874 5.624 1.00 0.00 H new ATOM 1543 N ASP A 98 -0.361 7.124 4.280 1.00 0.00 N ATOM 1544 CA ASP A 98 -1.797 6.939 4.155 1.00 0.00 C ATOM 1545 C ASP A 98 -2.096 5.458 3.913 1.00 0.00 C ATOM 1546 O ASP A 98 -3.174 4.975 4.255 1.00 0.00 O ATOM 1547 CB ASP A 98 -2.354 7.733 2.972 1.00 0.00 C ATOM 1548 CG ASP A 98 -3.382 8.805 3.339 1.00 0.00 C ATOM 1549 OD1 ASP A 98 -4.007 8.648 4.410 1.00 0.00 O ATOM 1550 OD2 ASP A 98 -3.519 9.757 2.541 1.00 0.00 O ATOM 0 H ASP A 98 0.063 7.684 3.540 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.264 7.289 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.524 8.210 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.813 7.037 2.270 1.00 0.00 H new ATOM 1555 N VAL A 99 -1.122 4.778 3.326 1.00 0.00 N ATOM 1556 CA VAL A 99 -1.267 3.362 3.034 1.00 0.00 C ATOM 1557 C VAL A 99 -1.124 2.562 4.330 1.00 0.00 C ATOM 1558 O VAL A 99 -1.727 1.500 4.478 1.00 0.00 O ATOM 1559 CB VAL A 99 -0.263 2.943 1.959 1.00 0.00 C ATOM 1560 CG1 VAL A 99 -0.273 1.426 1.761 1.00 0.00 C ATOM 1561 CG2 VAL A 99 -0.537 3.670 0.641 1.00 0.00 C ATOM 0 H VAL A 99 -0.229 5.182 3.045 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.258 3.155 2.631 1.00 0.00 H new ATOM 0 HB VAL A 99 0.732 3.229 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.450 1.155 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.007 0.935 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.268 1.106 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.191 3.354 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.542 3.428 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.455 4.746 0.795 1.00 0.00 H new ATOM 1571 N SER A 100 -0.323 3.103 5.237 1.00 0.00 N ATOM 1572 CA SER A 100 -0.093 2.452 6.516 1.00 0.00 C ATOM 1573 C SER A 100 -1.416 2.292 7.267 1.00 0.00 C ATOM 1574 O SER A 100 -1.607 1.319 7.995 1.00 0.00 O ATOM 1575 CB SER A 100 0.907 3.242 7.363 1.00 0.00 C ATOM 1576 OG SER A 100 1.370 2.489 8.481 1.00 0.00 O ATOM 0 H SER A 100 0.175 3.985 5.111 1.00 0.00 H new ATOM 0 HA SER A 100 0.331 1.466 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.756 3.533 6.745 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.439 4.162 7.714 1.00 0.00 H new ATOM 0 HG SER A 100 1.738 3.097 9.155 1.00 0.00 H new ATOM 1582 N CYS A 101 -2.296 3.263 7.065 1.00 0.00 N ATOM 1583 CA CYS A 101 -3.595 3.242 7.714 1.00 0.00 C ATOM 1584 C CYS A 101 -4.444 2.152 7.055 1.00 0.00 C ATOM 1585 O CYS A 101 -4.960 1.266 7.735 1.00 0.00 O ATOM 1586 CB CYS A 101 -4.278 4.610 7.657 1.00 0.00 C ATOM 1587 SG CYS A 101 -5.681 4.659 8.832 1.00 0.00 S ATOM 0 H CYS A 101 -2.134 4.069 6.461 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.472 3.015 8.773 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.561 5.394 7.901 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -4.633 4.806 6.645 1.00 0.00 H new ATOM 0 HG CYS A 101 -6.253 5.825 8.777 1.00 0.00 H new ATOM 1593 N TYR A 102 -4.563 2.254 5.740 1.00 0.00 N ATOM 1594 CA TYR A 102 -5.340 1.288 4.982 1.00 0.00 C ATOM 1595 C TYR A 102 -4.894 -0.141 5.295 1.00 0.00 C ATOM 1596 O TYR A 102 -5.721 -1.049 5.380 1.00 0.00 O ATOM 1597 CB TYR A 102 -5.060 1.586 3.507 1.00 0.00 C ATOM 1598 CG TYR A 102 -6.245 1.308 2.580 1.00 0.00 C ATOM 1599 CD1 TYR A 102 -6.836 0.061 2.570 1.00 0.00 C ATOM 1600 CD2 TYR A 102 -6.723 2.305 1.754 1.00 0.00 C ATOM 1601 CE1 TYR A 102 -7.952 -0.200 1.698 1.00 0.00 C ATOM 1602 CE2 TYR A 102 -7.839 2.044 0.882 1.00 0.00 C ATOM 1603 CZ TYR A 102 -8.398 0.805 0.897 1.00 0.00 C ATOM 1604 OH TYR A 102 -9.451 0.558 0.073 1.00 0.00 O ATOM 0 H TYR A 102 -4.134 2.991 5.180 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.398 1.367 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.771 2.632 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.209 0.988 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.462 -0.719 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.260 3.281 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.424 -1.171 1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.223 2.815 0.231 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.662 1.366 -0.440 1.00 0.00 H new ATOM 1614 N PHE A 103 -3.589 -0.298 5.458 1.00 0.00 N ATOM 1615 CA PHE A 103 -3.023 -1.602 5.760 1.00 0.00 C ATOM 1616 C PHE A 103 -3.305 -1.999 7.210 1.00 0.00 C ATOM 1617 O PHE A 103 -3.443 -3.182 7.518 1.00 0.00 O ATOM 1618 CB PHE A 103 -1.511 -1.491 5.559 1.00 0.00 C ATOM 1619 CG PHE A 103 -1.026 -1.990 4.196 1.00 0.00 C ATOM 1620 CD1 PHE A 103 -1.508 -3.156 3.688 1.00 0.00 C ATOM 1621 CD2 PHE A 103 -0.113 -1.268 3.493 1.00 0.00 C ATOM 1622 CE1 PHE A 103 -1.058 -3.619 2.423 1.00 0.00 C ATOM 1623 CE2 PHE A 103 0.337 -1.731 2.228 1.00 0.00 C ATOM 1624 CZ PHE A 103 -0.145 -2.897 1.720 1.00 0.00 C ATOM 0 H PHE A 103 -2.907 0.457 5.387 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.465 -2.359 5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.214 -0.449 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.008 -2.058 6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.233 -3.730 4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.270 -0.342 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.441 -4.545 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.062 -1.157 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.197 -3.249 0.758 1.00 0.00 H new ATOM 1634 N SER A 104 -3.382 -0.988 8.063 1.00 0.00 N ATOM 1635 CA SER A 104 -3.645 -1.217 9.473 1.00 0.00 C ATOM 1636 C SER A 104 -5.047 -1.802 9.656 1.00 0.00 C ATOM 1637 O SER A 104 -5.288 -2.562 10.593 1.00 0.00 O ATOM 1638 CB SER A 104 -3.501 0.077 10.278 1.00 0.00 C ATOM 1639 OG SER A 104 -3.796 -0.117 11.658 1.00 0.00 O ATOM 0 H SER A 104 -3.267 -0.008 7.804 1.00 0.00 H new ATOM 0 HA SER A 104 -2.909 -1.929 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.485 0.457 10.175 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.168 0.835 9.868 1.00 0.00 H new ATOM 0 HG SER A 104 -3.691 0.731 12.137 1.00 0.00 H new ATOM 1645 N LEU A 105 -5.933 -1.426 8.747 1.00 0.00 N ATOM 1646 CA LEU A 105 -7.305 -1.905 8.796 1.00 0.00 C ATOM 1647 C LEU A 105 -7.348 -3.364 8.340 1.00 0.00 C ATOM 1648 O LEU A 105 -8.113 -4.164 8.877 1.00 0.00 O ATOM 1649 CB LEU A 105 -8.223 -0.982 7.992 1.00 0.00 C ATOM 1650 CG LEU A 105 -9.374 -0.338 8.769 1.00 0.00 C ATOM 1651 CD1 LEU A 105 -10.322 -1.402 9.325 1.00 0.00 C ATOM 1652 CD2 LEU A 105 -8.844 0.588 9.866 1.00 0.00 C ATOM 0 H LEU A 105 -5.729 -0.795 7.972 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.681 -1.879 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.616 -0.188 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.644 -1.552 7.164 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.951 0.278 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.131 -0.918 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.738 -1.984 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.774 -2.063 9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.682 1.033 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.231 0.015 10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.241 1.377 9.416 1.00 0.00 H new ATOM 1664 N LEU A 106 -6.516 -3.668 7.355 1.00 0.00 N ATOM 1665 CA LEU A 106 -6.449 -5.018 6.821 1.00 0.00 C ATOM 1666 C LEU A 106 -6.352 -6.015 7.977 1.00 0.00 C ATOM 1667 O LEU A 106 -7.122 -6.973 8.042 1.00 0.00 O ATOM 1668 CB LEU A 106 -5.308 -5.138 5.809 1.00 0.00 C ATOM 1669 CG LEU A 106 -5.701 -5.003 4.336 1.00 0.00 C ATOM 1670 CD1 LEU A 106 -6.520 -6.209 3.874 1.00 0.00 C ATOM 1671 CD2 LEU A 106 -6.432 -3.683 4.083 1.00 0.00 C ATOM 0 H LEU A 106 -5.882 -3.002 6.912 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.359 -5.255 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.564 -4.375 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.825 -6.105 5.949 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.789 -4.986 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.786 -6.087 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.930 -7.118 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.428 -6.283 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.700 -3.612 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.336 -3.645 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.781 -2.850 4.349 1.00 0.00 H new ATOM 1683 N GLU A 107 -5.401 -5.756 8.862 1.00 0.00 N ATOM 1684 CA GLU A 107 -5.194 -6.619 10.013 1.00 0.00 C ATOM 1685 C GLU A 107 -6.477 -6.717 10.841 1.00 0.00 C ATOM 1686 O GLU A 107 -6.960 -7.814 11.116 1.00 0.00 O ATOM 1687 CB GLU A 107 -4.026 -6.122 10.868 1.00 0.00 C ATOM 1688 CG GLU A 107 -2.883 -7.139 10.879 1.00 0.00 C ATOM 1689 CD GLU A 107 -2.354 -7.353 12.299 1.00 0.00 C ATOM 1690 OE1 GLU A 107 -1.632 -6.451 12.777 1.00 0.00 O ATOM 1691 OE2 GLU A 107 -2.683 -8.413 12.873 1.00 0.00 O ATOM 0 H GLU A 107 -4.765 -4.961 8.805 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.940 -7.616 9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.666 -5.169 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.367 -5.942 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.231 -8.087 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.076 -6.791 10.235 1.00 0.00 H new