USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.39) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 164:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.11) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -143:sc= -0.237 (180deg=-1.04) USER MOD Single : A 67 GLN : amide:sc= 0.0214 K(o=0.021,f=-0.79) USER MOD Single : A 71 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.75) USER MOD Single : A 79 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.4!) USER MOD Single : A 80 SER OG : rot 66:sc= 2 USER MOD Single : A 88 ASN : amide:sc= 0.322 K(o=0.32,f=-6.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 99 THR OG1 : rot 47:sc= 0.0299 USER MOD Single : A 102 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0436) USER MOD Single : A 108 SER OG : rot -169:sc= -0.218 USER MOD Single : A 111 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.034) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -156:sc= -0.215 (180deg=-0.849) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 15.270 3.378 5.798 1.00 0.00 N ATOM 126 CA LEU A 10 13.822 3.424 5.952 1.00 0.00 C ATOM 127 C LEU A 10 13.149 2.428 5.007 1.00 0.00 C ATOM 128 O LEU A 10 12.215 1.727 5.393 1.00 0.00 O ATOM 129 CB LEU A 10 13.307 4.842 5.678 1.00 0.00 C ATOM 130 CG LEU A 10 11.803 5.048 5.885 1.00 0.00 C ATOM 131 CD1 LEU A 10 11.418 4.801 7.336 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.393 6.446 5.454 1.00 0.00 C ATOM 0 HA LEU A 10 13.574 3.149 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.844 5.536 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.555 5.108 4.650 1.00 0.00 H new ATOM 0 HG LEU A 10 11.272 4.326 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.346 4.953 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.673 3.778 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.959 5.495 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.322 6.575 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.936 7.183 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.627 6.585 4.398 1.00 0.00 H new ATOM 144 N TRP A 11 13.657 2.352 3.782 1.00 0.00 N ATOM 145 CA TRP A 11 13.105 1.459 2.773 1.00 0.00 C ATOM 146 C TRP A 11 13.339 0.006 3.180 1.00 0.00 C ATOM 147 O TRP A 11 12.443 -0.829 3.084 1.00 0.00 O ATOM 148 CB TRP A 11 13.753 1.739 1.413 1.00 0.00 C ATOM 149 CG TRP A 11 13.065 1.061 0.262 1.00 0.00 C ATOM 150 CD1 TRP A 11 13.215 -0.236 -0.140 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.124 1.651 -0.645 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.418 -0.488 -1.231 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.744 0.654 -1.561 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.562 2.925 -0.769 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.835 0.890 -2.586 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.659 3.157 -1.789 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.303 2.142 -2.685 1.00 0.00 C ATOM 0 H TRP A 11 14.455 2.902 3.464 1.00 0.00 H new ATOM 0 HA TRP A 11 12.032 1.634 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 11 13.758 2.815 1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 11 14.794 1.416 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.865 -0.958 0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.342 -1.382 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.829 3.713 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.560 0.109 -3.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.220 4.138 -1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.593 2.355 -3.470 1.00 0.00 H new ATOM 168 N GLN A 12 14.548 -0.270 3.666 1.00 0.00 N ATOM 169 CA GLN A 12 14.927 -1.619 4.083 1.00 0.00 C ATOM 170 C GLN A 12 14.018 -2.130 5.200 1.00 0.00 C ATOM 171 O GLN A 12 13.691 -3.318 5.252 1.00 0.00 O ATOM 172 CB GLN A 12 16.378 -1.643 4.567 1.00 0.00 C ATOM 173 CG GLN A 12 16.847 -3.032 4.981 1.00 0.00 C ATOM 174 CD GLN A 12 18.127 -3.005 5.789 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.095 -2.914 7.018 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.260 -3.095 5.113 1.00 0.00 N ATOM 0 H GLN A 12 15.285 0.426 3.781 1.00 0.00 H new ATOM 0 HA GLN A 12 14.820 -2.271 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.025 -1.269 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.484 -0.963 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.064 -3.515 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.999 -3.640 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.242 -3.169 4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.151 -3.091 5.609 1.00 0.00 H new ATOM 185 N ARG A 13 13.616 -1.230 6.091 1.00 0.00 N ATOM 186 CA ARG A 13 12.779 -1.599 7.231 1.00 0.00 C ATOM 187 C ARG A 13 11.415 -2.104 6.767 1.00 0.00 C ATOM 188 O ARG A 13 10.789 -2.931 7.431 1.00 0.00 O ATOM 189 CB ARG A 13 12.610 -0.417 8.189 1.00 0.00 C ATOM 190 CG ARG A 13 13.926 0.088 8.768 1.00 0.00 C ATOM 191 CD ARG A 13 14.677 -1.016 9.496 1.00 0.00 C ATOM 192 NE ARG A 13 16.036 -0.611 9.861 1.00 0.00 N ATOM 193 CZ ARG A 13 16.784 -1.237 10.770 1.00 0.00 C ATOM 194 NH1 ARG A 13 16.310 -2.293 11.416 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.019 -0.816 11.020 1.00 0.00 N ATOM 0 H ARG A 13 13.855 -0.239 6.047 1.00 0.00 H new ATOM 0 HA ARG A 13 13.281 -2.406 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.117 0.400 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.952 -0.713 9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.549 0.485 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.730 0.910 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.128 -1.294 10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.721 -1.902 8.863 1.00 0.00 H new ATOM 0 HE ARG A 13 16.435 0.201 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.368 -2.631 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.887 -2.768 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.396 -0.013 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.590 -1.296 11.716 1.00 0.00 H new ATOM 209 N LEU A 14 10.971 -1.612 5.618 1.00 0.00 N ATOM 210 CA LEU A 14 9.709 -2.047 5.036 1.00 0.00 C ATOM 211 C LEU A 14 9.821 -3.498 4.581 1.00 0.00 C ATOM 212 O LEU A 14 8.926 -4.307 4.825 1.00 0.00 O ATOM 213 CB LEU A 14 9.327 -1.147 3.856 1.00 0.00 C ATOM 214 CG LEU A 14 9.175 0.338 4.193 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.860 1.137 2.938 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.089 0.536 5.240 1.00 0.00 C ATOM 0 H LEU A 14 11.468 -0.910 5.070 1.00 0.00 H new ATOM 0 HA LEU A 14 8.928 -1.973 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.085 -1.251 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.388 -1.506 3.435 1.00 0.00 H new ATOM 0 HG LEU A 14 10.118 0.699 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.755 2.191 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.670 1.018 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.929 0.776 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.993 1.597 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.141 0.161 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.354 -0.008 6.147 1.00 0.00 H new ATOM 228 N LEU A 15 10.952 -3.819 3.957 1.00 0.00 N ATOM 229 CA LEU A 15 11.210 -5.167 3.453 1.00 0.00 C ATOM 230 C LEU A 15 11.206 -6.201 4.577 1.00 0.00 C ATOM 231 O LEU A 15 10.923 -7.377 4.346 1.00 0.00 O ATOM 232 CB LEU A 15 12.539 -5.223 2.692 1.00 0.00 C ATOM 233 CG LEU A 15 12.480 -4.785 1.222 1.00 0.00 C ATOM 234 CD1 LEU A 15 12.061 -3.330 1.097 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.826 -5.011 0.549 1.00 0.00 C ATOM 0 H LEU A 15 11.710 -3.158 3.787 1.00 0.00 H new ATOM 0 HA LEU A 15 10.400 -5.412 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.261 -4.593 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.918 -6.244 2.733 1.00 0.00 H new ATOM 0 HG LEU A 15 11.728 -5.393 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.029 -3.050 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.073 -3.197 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.780 -2.698 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.769 -4.696 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.592 -4.430 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.082 -6.069 0.595 1.00 0.00 H new ATOM 247 N THR A 16 11.514 -5.761 5.791 1.00 0.00 N ATOM 248 CA THR A 16 11.501 -6.647 6.944 1.00 0.00 C ATOM 249 C THR A 16 10.084 -7.185 7.185 1.00 0.00 C ATOM 250 O THR A 16 9.901 -8.356 7.519 1.00 0.00 O ATOM 251 CB THR A 16 12.025 -5.920 8.198 1.00 0.00 C ATOM 252 OG1 THR A 16 13.310 -5.342 7.914 1.00 0.00 O ATOM 253 CG2 THR A 16 12.149 -6.874 9.377 1.00 0.00 C ATOM 0 H THR A 16 11.775 -4.797 6.000 1.00 0.00 H new ATOM 0 HA THR A 16 12.163 -7.489 6.739 1.00 0.00 H new ATOM 0 HB THR A 16 11.312 -5.139 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.643 -4.878 8.710 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.521 -6.332 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.172 -7.299 9.605 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.843 -7.675 9.125 1.00 0.00 H new ATOM 261 N ARG A 17 9.086 -6.330 6.974 1.00 0.00 N ATOM 262 CA ARG A 17 7.688 -6.748 7.050 1.00 0.00 C ATOM 263 C ARG A 17 7.277 -7.445 5.756 1.00 0.00 C ATOM 264 O ARG A 17 6.536 -8.427 5.767 1.00 0.00 O ATOM 265 CB ARG A 17 6.773 -5.542 7.290 1.00 0.00 C ATOM 266 CG ARG A 17 6.679 -5.098 8.742 1.00 0.00 C ATOM 267 CD ARG A 17 6.041 -6.175 9.606 1.00 0.00 C ATOM 268 NE ARG A 17 5.393 -5.617 10.796 1.00 0.00 N ATOM 269 CZ ARG A 17 5.545 -6.096 12.031 1.00 0.00 C ATOM 270 NH1 ARG A 17 6.396 -7.082 12.275 1.00 0.00 N ATOM 271 NH2 ARG A 17 4.847 -5.572 13.027 1.00 0.00 N ATOM 0 H ARG A 17 9.219 -5.344 6.749 1.00 0.00 H new ATOM 0 HA ARG A 17 7.586 -7.441 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.132 -4.705 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.772 -5.785 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.675 -4.868 9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.093 -4.181 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.306 -6.723 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.803 -6.892 9.912 1.00 0.00 H new ATOM 0 HE ARG A 17 4.785 -4.808 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.944 -7.483 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.503 -7.440 13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.198 -4.806 12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.959 -5.934 13.974 1.00 0.00 H new ATOM 285 N GLY A 18 7.773 -6.919 4.647 1.00 0.00 N ATOM 286 CA GLY A 18 7.455 -7.455 3.341 1.00 0.00 C ATOM 287 C GLY A 18 7.680 -6.410 2.274 1.00 0.00 C ATOM 288 O GLY A 18 8.821 -6.069 1.987 1.00 0.00 O ATOM 0 H GLY A 18 8.401 -6.116 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.074 -8.329 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.417 -7.788 3.320 1.00 0.00 H new ATOM 292 N TRP A 19 6.585 -5.894 1.716 1.00 0.00 N ATOM 293 CA TRP A 19 6.624 -4.776 0.766 1.00 0.00 C ATOM 294 C TRP A 19 7.438 -5.101 -0.481 1.00 0.00 C ATOM 295 O TRP A 19 8.666 -5.152 -0.459 1.00 0.00 O ATOM 296 CB TRP A 19 7.186 -3.517 1.417 1.00 0.00 C ATOM 297 CG TRP A 19 6.358 -2.991 2.557 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.055 -3.632 3.725 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.740 -1.701 2.638 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.284 -2.820 4.524 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.079 -1.630 3.879 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.685 -0.598 1.781 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.372 -0.500 4.283 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.980 0.522 2.181 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.335 0.565 3.422 1.00 0.00 C ATOM 0 H TRP A 19 5.644 -6.238 1.908 1.00 0.00 H new ATOM 0 HA TRP A 19 5.592 -4.600 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.192 -3.727 1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.277 -2.739 0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.374 -4.631 3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.924 -3.065 5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.184 -0.620 0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.872 -0.465 5.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.926 1.378 1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.797 1.457 3.707 1.00 0.00 H new ATOM 316 N GLN A 20 6.743 -5.288 -1.576 1.00 0.00 N ATOM 317 CA GLN A 20 7.387 -5.569 -2.843 1.00 0.00 C ATOM 318 C GLN A 20 7.583 -4.276 -3.622 1.00 0.00 C ATOM 319 O GLN A 20 6.615 -3.633 -4.020 1.00 0.00 O ATOM 320 CB GLN A 20 6.553 -6.564 -3.660 1.00 0.00 C ATOM 321 CG GLN A 20 7.068 -6.782 -5.076 1.00 0.00 C ATOM 322 CD GLN A 20 8.501 -7.278 -5.119 1.00 0.00 C ATOM 323 OE1 GLN A 20 8.957 -8.007 -4.236 1.00 0.00 O ATOM 324 NE2 GLN A 20 9.233 -6.867 -6.142 1.00 0.00 N ATOM 0 H GLN A 20 5.725 -5.251 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 20 8.362 -6.017 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.534 -7.521 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.524 -6.207 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.425 -7.502 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.997 -5.846 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.821 -6.264 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.209 -7.153 -6.218 1.00 0.00 H new ATOM 333 N PRO A 21 8.835 -3.859 -3.833 1.00 0.00 N ATOM 334 CA PRO A 21 9.135 -2.671 -4.620 1.00 0.00 C ATOM 335 C PRO A 21 8.803 -2.888 -6.093 1.00 0.00 C ATOM 336 O PRO A 21 9.456 -3.677 -6.780 1.00 0.00 O ATOM 337 CB PRO A 21 10.641 -2.450 -4.423 1.00 0.00 C ATOM 338 CG PRO A 21 11.056 -3.388 -3.334 1.00 0.00 C ATOM 339 CD PRO A 21 10.054 -4.506 -3.329 1.00 0.00 C ATOM 0 HA PRO A 21 8.545 -1.810 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.189 -2.653 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.851 -1.416 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.061 -3.769 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.074 -2.879 -2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.367 -5.331 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.910 -4.915 -2.329 1.00 0.00 H new ATOM 347 N VAL A 22 7.762 -2.216 -6.565 1.00 0.00 N ATOM 348 CA VAL A 22 7.347 -2.340 -7.951 1.00 0.00 C ATOM 349 C VAL A 22 8.007 -1.275 -8.804 1.00 0.00 C ATOM 350 O VAL A 22 8.789 -0.464 -8.309 1.00 0.00 O ATOM 351 CB VAL A 22 5.816 -2.261 -8.117 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.165 -3.550 -7.650 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.251 -1.073 -7.355 1.00 0.00 C ATOM 0 H VAL A 22 7.191 -1.581 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 22 7.666 -3.327 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 22 5.594 -2.123 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.084 -3.478 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.543 -4.384 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.399 -3.716 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.170 -1.037 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.484 -1.176 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.693 -0.153 -7.736 1.00 0.00 H new ATOM 363 N GLU A 23 7.669 -1.266 -10.079 1.00 0.00 N ATOM 364 CA GLU A 23 8.352 -0.413 -11.035 1.00 0.00 C ATOM 365 C GLU A 23 7.368 0.147 -12.039 1.00 0.00 C ATOM 366 O GLU A 23 6.237 -0.322 -12.135 1.00 0.00 O ATOM 367 CB GLU A 23 9.430 -1.197 -11.788 1.00 0.00 C ATOM 368 CG GLU A 23 10.498 -1.811 -10.898 1.00 0.00 C ATOM 369 CD GLU A 23 11.541 -2.571 -11.686 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.271 -3.727 -12.076 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.628 -2.010 -11.933 1.00 0.00 O ATOM 0 H GLU A 23 6.926 -1.839 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 23 8.817 0.402 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.951 -1.991 -12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.911 -0.532 -12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.984 -1.023 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.027 -2.484 -10.182 1.00 0.00 H new ATOM 378 N ALA A 24 7.813 1.130 -12.803 1.00 0.00 N ATOM 379 CA ALA A 24 6.991 1.702 -13.853 1.00 0.00 C ATOM 380 C ALA A 24 6.991 0.796 -15.071 1.00 0.00 C ATOM 381 O ALA A 24 5.970 0.616 -15.729 1.00 0.00 O ATOM 382 CB ALA A 24 7.493 3.083 -14.228 1.00 0.00 C ATOM 0 H ALA A 24 8.739 1.548 -12.715 1.00 0.00 H new ATOM 0 HA ALA A 24 5.970 1.793 -13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.865 3.497 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.454 3.734 -13.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.521 3.012 -14.583 1.00 0.00 H new ATOM 388 N SER A 25 8.146 0.210 -15.348 1.00 0.00 N ATOM 389 CA SER A 25 8.301 -0.669 -16.495 1.00 0.00 C ATOM 390 C SER A 25 7.760 -2.067 -16.198 1.00 0.00 C ATOM 391 O SER A 25 7.636 -2.895 -17.096 1.00 0.00 O ATOM 392 CB SER A 25 9.780 -0.759 -16.874 1.00 0.00 C ATOM 393 OG SER A 25 10.365 0.532 -16.951 1.00 0.00 O ATOM 0 H SER A 25 8.992 0.329 -14.791 1.00 0.00 H new ATOM 0 HA SER A 25 7.730 -0.253 -17.325 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.312 -1.360 -16.136 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.883 -1.267 -17.833 1.00 0.00 H new ATOM 0 HG SER A 25 11.311 0.449 -17.193 1.00 0.00 H new ATOM 399 N THR A 26 7.434 -2.327 -14.934 1.00 0.00 N ATOM 400 CA THR A 26 7.019 -3.662 -14.523 1.00 0.00 C ATOM 401 C THR A 26 5.628 -3.652 -13.868 1.00 0.00 C ATOM 402 O THR A 26 5.127 -4.691 -13.445 1.00 0.00 O ATOM 403 CB THR A 26 8.052 -4.269 -13.542 1.00 0.00 C ATOM 404 OG1 THR A 26 9.381 -3.920 -13.958 1.00 0.00 O ATOM 405 CG2 THR A 26 7.937 -5.790 -13.478 1.00 0.00 C ATOM 0 H THR A 26 7.449 -1.636 -14.184 1.00 0.00 H new ATOM 0 HA THR A 26 6.964 -4.276 -15.422 1.00 0.00 H new ATOM 0 HB THR A 26 7.846 -3.863 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.007 -4.082 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.677 -6.182 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.938 -6.065 -13.140 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.114 -6.210 -14.468 1.00 0.00 H new ATOM 413 N VAL A 27 4.994 -2.485 -13.799 1.00 0.00 N ATOM 414 CA VAL A 27 3.687 -2.378 -13.147 1.00 0.00 C ATOM 415 C VAL A 27 2.607 -3.115 -13.942 1.00 0.00 C ATOM 416 O VAL A 27 1.731 -3.766 -13.370 1.00 0.00 O ATOM 417 CB VAL A 27 3.274 -0.900 -12.933 1.00 0.00 C ATOM 418 CG1 VAL A 27 3.183 -0.148 -14.253 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.957 -0.814 -12.172 1.00 0.00 C ATOM 0 H VAL A 27 5.355 -1.610 -14.180 1.00 0.00 H new ATOM 0 HA VAL A 27 3.781 -2.850 -12.169 1.00 0.00 H new ATOM 0 HB VAL A 27 4.051 -0.424 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.891 0.885 -14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.153 -0.166 -14.750 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.439 -0.624 -14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.685 0.232 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.175 -1.319 -12.739 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.067 -1.293 -11.199 1.00 0.00 H new ATOM 429 N ASP A 28 2.707 -3.038 -15.261 1.00 0.00 N ATOM 430 CA ASP A 28 1.729 -3.656 -16.148 1.00 0.00 C ATOM 431 C ASP A 28 1.805 -5.172 -16.047 1.00 0.00 C ATOM 432 O ASP A 28 0.796 -5.852 -15.852 1.00 0.00 O ATOM 433 CB ASP A 28 1.983 -3.205 -17.592 1.00 0.00 C ATOM 434 CG ASP A 28 0.995 -3.779 -18.591 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.197 -4.924 -19.048 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.034 -3.068 -18.957 1.00 0.00 O ATOM 0 H ASP A 28 3.461 -2.550 -15.745 1.00 0.00 H new ATOM 0 HA ASP A 28 0.729 -3.342 -15.847 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.941 -2.117 -17.637 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.992 -3.497 -17.883 1.00 0.00 H new ATOM 441 N ASP A 29 3.019 -5.693 -16.141 1.00 0.00 N ATOM 442 CA ASP A 29 3.235 -7.132 -16.127 1.00 0.00 C ATOM 443 C ASP A 29 2.993 -7.721 -14.740 1.00 0.00 C ATOM 444 O ASP A 29 2.544 -8.859 -14.614 1.00 0.00 O ATOM 445 CB ASP A 29 4.654 -7.459 -16.582 1.00 0.00 C ATOM 446 CG ASP A 29 4.834 -8.929 -16.907 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.590 -9.318 -18.071 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.235 -9.701 -16.014 1.00 0.00 O ATOM 0 H ASP A 29 3.871 -5.140 -16.228 1.00 0.00 H new ATOM 0 HA ASP A 29 2.519 -7.578 -16.817 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.897 -6.863 -17.462 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.358 -7.174 -15.800 1.00 0.00 H new ATOM 453 N TRP A 30 3.288 -6.947 -13.702 1.00 0.00 N ATOM 454 CA TRP A 30 3.105 -7.414 -12.330 1.00 0.00 C ATOM 455 C TRP A 30 1.626 -7.663 -12.044 1.00 0.00 C ATOM 456 O TRP A 30 1.252 -8.734 -11.563 1.00 0.00 O ATOM 457 CB TRP A 30 3.675 -6.404 -11.329 1.00 0.00 C ATOM 458 CG TRP A 30 3.790 -6.951 -9.936 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.752 -7.803 -9.475 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.924 -6.685 -8.826 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.531 -8.090 -8.150 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.418 -7.415 -7.728 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.776 -5.904 -8.652 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.807 -7.385 -6.478 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.172 -5.876 -7.410 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.688 -6.612 -6.338 1.00 0.00 C ATOM 0 H TRP A 30 3.653 -5.998 -13.782 1.00 0.00 H new ATOM 0 HA TRP A 30 3.647 -8.353 -12.217 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.660 -6.082 -11.668 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.039 -5.519 -11.313 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.567 -8.194 -10.066 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.104 -8.707 -7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.370 -5.333 -9.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.203 -7.952 -5.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.286 -5.276 -7.264 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.192 -6.569 -5.380 1.00 0.00 H new ATOM 477 N ILE A 31 0.790 -6.682 -12.368 1.00 0.00 N ATOM 478 CA ILE A 31 -0.653 -6.813 -12.190 1.00 0.00 C ATOM 479 C ILE A 31 -1.187 -7.944 -13.058 1.00 0.00 C ATOM 480 O ILE A 31 -2.056 -8.708 -12.644 1.00 0.00 O ATOM 481 CB ILE A 31 -1.388 -5.499 -12.535 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.932 -4.382 -11.597 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.898 -5.681 -12.455 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.173 -4.691 -10.133 1.00 0.00 C ATOM 0 H ILE A 31 1.087 -5.786 -12.756 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.839 -7.040 -11.140 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.138 -5.223 -13.560 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.131 -4.199 -11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.455 -3.462 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.391 -4.741 -12.702 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.210 -6.451 -13.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.175 -5.981 -11.445 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.826 -3.857 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.239 -4.845 -9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.627 -5.593 -9.857 1.00 0.00 H new ATOM 496 N LYS A 32 -0.637 -8.047 -14.254 1.00 0.00 N ATOM 497 CA LYS A 32 -0.972 -9.117 -15.184 1.00 0.00 C ATOM 498 C LYS A 32 -0.697 -10.490 -14.564 1.00 0.00 C ATOM 499 O LYS A 32 -1.463 -11.437 -14.756 1.00 0.00 O ATOM 500 CB LYS A 32 -0.128 -8.942 -16.446 1.00 0.00 C ATOM 501 CG LYS A 32 -0.315 -10.024 -17.496 1.00 0.00 C ATOM 502 CD LYS A 32 0.889 -10.085 -18.426 1.00 0.00 C ATOM 503 CE LYS A 32 1.188 -8.730 -19.049 1.00 0.00 C ATOM 504 NZ LYS A 32 2.494 -8.726 -19.761 1.00 0.00 N ATOM 0 H LYS A 32 0.057 -7.391 -14.612 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.034 -9.065 -15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.366 -7.977 -16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.924 -8.911 -16.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.454 -10.989 -17.010 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.217 -9.825 -18.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.761 -10.430 -17.870 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.704 -10.815 -19.214 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.393 -8.467 -19.747 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.195 -7.966 -18.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.624 -7.814 -20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.263 -8.868 -19.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.509 -9.493 -20.463 1.00 0.00 H new ATOM 518 N ARG A 33 0.397 -10.579 -13.819 1.00 0.00 N ATOM 519 CA ARG A 33 0.887 -11.856 -13.310 1.00 0.00 C ATOM 520 C ARG A 33 0.138 -12.300 -12.056 1.00 0.00 C ATOM 521 O ARG A 33 -0.291 -13.449 -11.958 1.00 0.00 O ATOM 522 CB ARG A 33 2.370 -11.728 -12.984 1.00 0.00 C ATOM 523 CG ARG A 33 3.132 -13.042 -13.039 1.00 0.00 C ATOM 524 CD ARG A 33 4.599 -12.842 -12.693 1.00 0.00 C ATOM 525 NE ARG A 33 5.219 -11.793 -13.506 1.00 0.00 N ATOM 526 CZ ARG A 33 6.478 -11.378 -13.357 1.00 0.00 C ATOM 527 NH1 ARG A 33 7.271 -11.960 -12.469 1.00 0.00 N ATOM 528 NH2 ARG A 33 6.943 -10.388 -14.108 1.00 0.00 N ATOM 0 H ARG A 33 0.967 -9.776 -13.551 1.00 0.00 H new ATOM 0 HA ARG A 33 0.722 -12.607 -14.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.826 -11.026 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.477 -11.300 -11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.686 -13.754 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.046 -13.474 -14.036 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.690 -12.584 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.137 -13.779 -12.840 1.00 0.00 H new ATOM 0 HE ARG A 33 4.653 -11.352 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.919 -12.728 -11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.233 -11.640 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.338 -9.944 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.906 -10.070 -13.994 1.00 0.00 H new ATOM 542 N VAL A 34 -0.027 -11.388 -11.108 1.00 0.00 N ATOM 543 CA VAL A 34 -0.649 -11.736 -9.830 1.00 0.00 C ATOM 544 C VAL A 34 -2.146 -11.425 -9.817 1.00 0.00 C ATOM 545 O VAL A 34 -2.956 -12.247 -9.393 1.00 0.00 O ATOM 546 CB VAL A 34 0.050 -11.034 -8.636 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.479 -11.534 -8.486 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.033 -9.520 -8.786 1.00 0.00 C ATOM 0 H VAL A 34 0.256 -10.412 -11.194 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.524 -12.813 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.509 -11.285 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.954 -11.031 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.471 -12.609 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.037 -11.320 -9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.532 -9.064 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.554 -9.239 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.998 -9.171 -8.833 1.00 0.00 H new ATOM 558 N GLY A 35 -2.507 -10.240 -10.279 1.00 0.00 N ATOM 559 CA GLY A 35 -3.900 -9.852 -10.332 1.00 0.00 C ATOM 560 C GLY A 35 -4.323 -9.075 -9.104 1.00 0.00 C ATOM 561 O GLY A 35 -4.808 -7.949 -9.204 1.00 0.00 O ATOM 0 H GLY A 35 -1.855 -9.534 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.073 -9.246 -11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.520 -10.743 -10.428 1.00 0.00 H new ATOM 565 N ASP A 36 -4.122 -9.672 -7.942 1.00 0.00 N ATOM 566 CA ASP A 36 -4.543 -9.061 -6.689 1.00 0.00 C ATOM 567 C ASP A 36 -3.354 -8.462 -5.955 1.00 0.00 C ATOM 568 O ASP A 36 -2.329 -9.121 -5.775 1.00 0.00 O ATOM 569 CB ASP A 36 -5.250 -10.085 -5.793 1.00 0.00 C ATOM 570 CG ASP A 36 -6.552 -10.587 -6.385 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.439 -9.762 -6.678 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.698 -11.815 -6.566 1.00 0.00 O ATOM 0 H ASP A 36 -3.670 -10.580 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.246 -8.262 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.585 -10.931 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.449 -9.634 -4.821 1.00 0.00 H new ATOM 577 N GLY A 37 -3.492 -7.211 -5.545 1.00 0.00 N ATOM 578 CA GLY A 37 -2.430 -6.544 -4.823 1.00 0.00 C ATOM 579 C GLY A 37 -2.623 -5.042 -4.780 1.00 0.00 C ATOM 580 O GLY A 37 -3.598 -4.521 -5.323 1.00 0.00 O ATOM 0 H GLY A 37 -4.325 -6.643 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.385 -6.932 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.474 -6.772 -5.294 1.00 0.00 H new ATOM 584 N VAL A 38 -1.696 -4.345 -4.136 1.00 0.00 N ATOM 585 CA VAL A 38 -1.796 -2.896 -3.986 1.00 0.00 C ATOM 586 C VAL A 38 -0.457 -2.212 -4.254 1.00 0.00 C ATOM 587 O VAL A 38 0.559 -2.566 -3.660 1.00 0.00 O ATOM 588 CB VAL A 38 -2.299 -2.500 -2.575 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.778 -2.814 -2.414 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.489 -3.195 -1.488 1.00 0.00 C ATOM 0 H VAL A 38 -0.867 -4.757 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.522 -2.558 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.163 -1.424 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.104 -2.526 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.351 -2.259 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.941 -3.883 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.864 -2.898 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.581 -4.275 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.441 -2.909 -1.577 1.00 0.00 H new ATOM 600 N ILE A 39 -0.460 -1.245 -5.166 1.00 0.00 N ATOM 601 CA ILE A 39 0.734 -0.449 -5.441 1.00 0.00 C ATOM 602 C ILE A 39 0.654 0.875 -4.682 1.00 0.00 C ATOM 603 O ILE A 39 -0.299 1.639 -4.852 1.00 0.00 O ATOM 604 CB ILE A 39 0.933 -0.151 -6.960 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.384 -1.391 -7.742 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.946 0.968 -7.161 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.314 -2.445 -7.895 1.00 0.00 C ATOM 0 H ILE A 39 -1.274 -0.993 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 39 1.588 -1.039 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.038 0.158 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.718 -1.081 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.244 -1.832 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.070 1.160 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.591 1.873 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.904 0.673 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.712 -3.288 -8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.005 -2.785 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.539 -2.023 -8.427 1.00 0.00 H new ATOM 619 N LEU A 40 1.632 1.122 -3.827 1.00 0.00 N ATOM 620 CA LEU A 40 1.723 2.385 -3.109 1.00 0.00 C ATOM 621 C LEU A 40 2.551 3.373 -3.932 1.00 0.00 C ATOM 622 O LEU A 40 3.748 3.164 -4.142 1.00 0.00 O ATOM 623 CB LEU A 40 2.364 2.155 -1.733 1.00 0.00 C ATOM 624 CG LEU A 40 1.902 3.091 -0.609 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.471 2.629 0.720 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.314 4.529 -0.876 1.00 0.00 C ATOM 0 H LEU A 40 2.379 0.461 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 40 0.726 2.798 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.163 1.128 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.445 2.251 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 40 0.813 3.054 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.137 3.300 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.125 1.617 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.560 2.637 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.970 5.164 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.400 4.589 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.868 4.868 -1.811 1.00 0.00 H new ATOM 638 N LEU A 41 1.904 4.428 -4.414 1.00 0.00 N ATOM 639 CA LEU A 41 2.570 5.415 -5.259 1.00 0.00 C ATOM 640 C LEU A 41 3.253 6.484 -4.415 1.00 0.00 C ATOM 641 O LEU A 41 2.611 7.121 -3.576 1.00 0.00 O ATOM 642 CB LEU A 41 1.580 6.082 -6.226 1.00 0.00 C ATOM 643 CG LEU A 41 1.109 5.222 -7.404 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.165 4.124 -6.945 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.440 6.091 -8.458 1.00 0.00 C ATOM 0 H LEU A 41 0.919 4.623 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 41 3.324 4.884 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.704 6.396 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.043 6.985 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 41 1.986 4.746 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.150 3.532 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.676 3.480 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.709 4.570 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.111 5.467 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.421 6.596 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.150 6.834 -8.822 1.00 0.00 H new ATOM 657 N SER A 42 4.550 6.672 -4.664 1.00 0.00 N ATOM 658 CA SER A 42 5.366 7.668 -3.971 1.00 0.00 C ATOM 659 C SER A 42 5.583 7.302 -2.501 1.00 0.00 C ATOM 660 O SER A 42 4.770 6.622 -1.879 1.00 0.00 O ATOM 661 CB SER A 42 4.734 9.065 -4.084 1.00 0.00 C ATOM 662 OG SER A 42 5.545 10.055 -3.471 1.00 0.00 O ATOM 0 H SER A 42 5.067 6.132 -5.358 1.00 0.00 H new ATOM 0 HA SER A 42 6.341 7.682 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.586 9.314 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.750 9.059 -3.616 1.00 0.00 H new ATOM 0 HG SER A 42 5.116 10.931 -3.562 1.00 0.00 H new ATOM 863 N VAL A 56 3.690 3.981 7.604 1.00 0.00 N ATOM 864 CA VAL A 56 4.195 2.642 7.879 1.00 0.00 C ATOM 865 C VAL A 56 3.020 1.710 8.175 1.00 0.00 C ATOM 866 O VAL A 56 3.156 0.486 8.181 1.00 0.00 O ATOM 867 CB VAL A 56 5.177 2.647 9.075 1.00 0.00 C ATOM 868 CG1 VAL A 56 5.852 1.293 9.239 1.00 0.00 C ATOM 869 CG2 VAL A 56 6.220 3.744 8.911 1.00 0.00 C ATOM 0 HA VAL A 56 4.737 2.290 7.002 1.00 0.00 H new ATOM 0 HB VAL A 56 4.600 2.848 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.536 1.328 10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.095 0.528 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.409 1.052 8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.900 3.730 9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.784 3.576 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.724 4.713 8.859 1.00 0.00 H new ATOM 879 N MET A 57 1.855 2.320 8.388 1.00 0.00 N ATOM 880 CA MET A 57 0.631 1.599 8.744 1.00 0.00 C ATOM 881 C MET A 57 0.247 0.525 7.724 1.00 0.00 C ATOM 882 O MET A 57 -0.500 -0.393 8.052 1.00 0.00 O ATOM 883 CB MET A 57 -0.531 2.580 8.901 1.00 0.00 C ATOM 884 CG MET A 57 -0.602 3.237 10.269 1.00 0.00 C ATOM 885 SD MET A 57 -1.003 2.063 11.579 1.00 0.00 S ATOM 886 CE MET A 57 -2.584 1.436 11.004 1.00 0.00 C ATOM 0 H MET A 57 1.732 3.330 8.319 1.00 0.00 H new ATOM 0 HA MET A 57 0.836 1.094 9.688 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.444 3.356 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.466 2.053 8.713 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.354 3.711 10.491 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.353 4.027 10.251 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.241 1.268 11.857 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.041 2.162 10.332 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.431 0.496 10.473 1.00 0.00 H new ATOM 896 N ILE A 58 0.760 0.630 6.503 1.00 0.00 N ATOM 897 CA ILE A 58 0.399 -0.306 5.441 1.00 0.00 C ATOM 898 C ILE A 58 0.954 -1.703 5.744 1.00 0.00 C ATOM 899 O ILE A 58 0.440 -2.710 5.254 1.00 0.00 O ATOM 900 CB ILE A 58 0.881 0.176 4.040 1.00 0.00 C ATOM 901 CG1 ILE A 58 0.271 1.538 3.680 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.524 -0.838 2.966 1.00 0.00 C ATOM 903 CD1 ILE A 58 1.054 2.727 4.201 1.00 0.00 C ATOM 0 H ILE A 58 1.425 1.351 6.223 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.690 -0.352 5.411 1.00 0.00 H new ATOM 0 HB ILE A 58 1.965 0.279 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.195 1.614 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.744 1.585 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.871 -0.479 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.002 -1.791 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.557 -0.972 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.556 3.650 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.108 2.679 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.062 2.709 3.786 1.00 0.00 H new ATOM 915 N ALA A 59 1.979 -1.758 6.588 1.00 0.00 N ATOM 916 CA ALA A 59 2.587 -3.028 6.976 1.00 0.00 C ATOM 917 C ALA A 59 1.586 -3.902 7.725 1.00 0.00 C ATOM 918 O ALA A 59 1.305 -5.030 7.319 1.00 0.00 O ATOM 919 CB ALA A 59 3.826 -2.785 7.827 1.00 0.00 C ATOM 0 H ALA A 59 2.407 -0.938 7.017 1.00 0.00 H new ATOM 0 HA ALA A 59 2.886 -3.555 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.268 -3.741 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.551 -2.204 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.548 -2.236 8.726 1.00 0.00 H new ATOM 925 N GLU A 60 1.044 -3.373 8.816 1.00 0.00 N ATOM 926 CA GLU A 60 0.028 -4.068 9.590 1.00 0.00 C ATOM 927 C GLU A 60 -1.294 -4.123 8.822 1.00 0.00 C ATOM 928 O GLU A 60 -2.071 -5.072 8.968 1.00 0.00 O ATOM 929 CB GLU A 60 -0.181 -3.370 10.938 1.00 0.00 C ATOM 930 CG GLU A 60 0.923 -3.618 11.966 1.00 0.00 C ATOM 931 CD GLU A 60 2.269 -3.039 11.573 1.00 0.00 C ATOM 932 OE1 GLU A 60 2.298 -1.985 10.902 1.00 0.00 O ATOM 933 OE2 GLU A 60 3.307 -3.638 11.940 1.00 0.00 O ATOM 0 H GLU A 60 1.296 -2.456 9.185 1.00 0.00 H new ATOM 0 HA GLU A 60 0.371 -5.088 9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.264 -2.297 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.131 -3.700 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.619 -3.190 12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.031 -4.692 12.117 1.00 0.00 H new ATOM 940 N LEU A 61 -1.525 -3.104 7.997 1.00 0.00 N ATOM 941 CA LEU A 61 -2.756 -2.965 7.217 1.00 0.00 C ATOM 942 C LEU A 61 -3.048 -4.222 6.404 1.00 0.00 C ATOM 943 O LEU A 61 -4.207 -4.562 6.173 1.00 0.00 O ATOM 944 CB LEU A 61 -2.644 -1.760 6.282 1.00 0.00 C ATOM 945 CG LEU A 61 -3.869 -0.838 6.223 1.00 0.00 C ATOM 946 CD1 LEU A 61 -3.548 0.423 5.435 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.059 -1.551 5.599 1.00 0.00 C ATOM 0 H LEU A 61 -0.859 -2.345 7.849 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.580 -2.815 7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.782 -1.167 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.439 -2.124 5.275 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.130 -0.562 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.428 1.066 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.728 0.954 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.258 0.154 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.914 -0.875 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.806 -1.861 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.311 -2.428 6.195 1.00 0.00 H new ATOM 959 N LEU A 62 -1.988 -4.888 5.956 1.00 0.00 N ATOM 960 CA LEU A 62 -2.108 -6.123 5.183 1.00 0.00 C ATOM 961 C LEU A 62 -3.114 -7.077 5.840 1.00 0.00 C ATOM 962 O LEU A 62 -4.066 -7.519 5.201 1.00 0.00 O ATOM 963 CB LEU A 62 -0.733 -6.796 5.072 1.00 0.00 C ATOM 964 CG LEU A 62 -0.525 -7.737 3.874 1.00 0.00 C ATOM 965 CD1 LEU A 62 0.931 -8.168 3.795 1.00 0.00 C ATOM 966 CD2 LEU A 62 -1.422 -8.962 3.960 1.00 0.00 C ATOM 0 H LEU A 62 -1.026 -4.590 6.117 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.472 -5.880 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.027 -6.015 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.556 -7.363 5.986 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.793 -7.188 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.068 -8.834 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.564 -7.289 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.206 -8.690 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.246 -9.603 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.198 -9.514 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.466 -8.648 3.973 1.00 0.00 H new ATOM 978 N ARG A 63 -2.912 -7.370 7.119 1.00 0.00 N ATOM 979 CA ARG A 63 -3.793 -8.290 7.832 1.00 0.00 C ATOM 980 C ARG A 63 -4.964 -7.565 8.493 1.00 0.00 C ATOM 981 O ARG A 63 -5.835 -8.200 9.092 1.00 0.00 O ATOM 982 CB ARG A 63 -3.013 -9.095 8.868 1.00 0.00 C ATOM 983 CG ARG A 63 -2.310 -10.302 8.275 1.00 0.00 C ATOM 984 CD ARG A 63 -1.698 -11.180 9.353 1.00 0.00 C ATOM 985 NE ARG A 63 -1.495 -12.552 8.891 1.00 0.00 N ATOM 986 CZ ARG A 63 -0.344 -13.215 8.986 1.00 0.00 C ATOM 987 NH1 ARG A 63 0.762 -12.588 9.361 1.00 0.00 N ATOM 988 NH2 ARG A 63 -0.286 -14.496 8.661 1.00 0.00 N ATOM 0 H ARG A 63 -2.152 -6.988 7.681 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.206 -8.976 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.275 -8.448 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.695 -9.427 9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.020 -10.886 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.530 -9.969 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.743 -10.758 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.347 -11.184 10.229 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.288 -13.034 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.735 -11.592 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.640 -13.102 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.124 -14.978 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.597 -15.001 8.735 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.985 -6.244 8.388 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.117 -5.469 8.870 1.00 0.00 C ATOM 1004 C GLU A 64 -7.291 -5.616 7.912 1.00 0.00 C ATOM 1005 O GLU A 64 -8.445 -5.383 8.281 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.746 -3.993 9.022 1.00 0.00 C ATOM 1007 CG GLU A 64 -4.771 -3.712 10.154 1.00 0.00 C ATOM 1008 CD GLU A 64 -5.273 -4.212 11.492 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.463 -3.994 11.811 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.477 -4.814 12.245 1.00 0.00 O ATOM 0 H GLU A 64 -4.235 -5.690 7.975 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.401 -5.851 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.312 -3.640 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.656 -3.416 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.814 -4.183 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.591 -2.639 10.216 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.994 -6.010 6.680 1.00 0.00 N ATOM 1018 CA PHE A 65 -8.028 -6.239 5.688 1.00 0.00 C ATOM 1019 C PHE A 65 -8.754 -7.548 5.995 1.00 0.00 C ATOM 1020 O PHE A 65 -8.154 -8.620 5.963 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.426 -6.278 4.280 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.387 -5.844 3.213 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.874 -4.547 3.199 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.805 -6.726 2.233 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.762 -4.138 2.225 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.694 -6.321 1.256 1.00 0.00 C ATOM 1027 CZ PHE A 65 -10.172 -5.026 1.252 1.00 0.00 C ATOM 0 H PHE A 65 -6.044 -6.177 6.347 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.743 -5.417 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.546 -5.635 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.088 -7.292 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.555 -3.849 3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.433 -7.740 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.135 -3.125 2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.015 -7.017 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.866 -4.708 0.488 1.00 0.00 H new ATOM 1037 N PRO A 66 -10.062 -7.473 6.292 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.863 -8.625 6.729 1.00 0.00 C ATOM 1039 C PRO A 66 -11.227 -9.581 5.590 1.00 0.00 C ATOM 1040 O PRO A 66 -12.126 -10.411 5.732 1.00 0.00 O ATOM 1041 CB PRO A 66 -12.138 -7.985 7.309 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.906 -6.508 7.292 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.877 -6.257 6.231 1.00 0.00 C ATOM 0 HA PRO A 66 -10.307 -9.239 7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.012 -8.249 6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.325 -8.338 8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.829 -5.972 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.557 -6.158 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.330 -6.120 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.289 -5.363 6.438 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.541 -9.466 4.463 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.830 -10.315 3.318 1.00 0.00 C ATOM 1053 C GLN A 67 -9.716 -11.325 3.063 1.00 0.00 C ATOM 1054 O GLN A 67 -9.895 -12.522 3.288 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.081 -9.474 2.065 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.553 -9.346 1.704 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.177 -10.681 1.345 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.511 -11.577 0.826 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.465 -10.820 1.601 1.00 0.00 N ATOM 0 H GLN A 67 -9.785 -8.797 4.317 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.736 -10.873 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.664 -8.478 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.547 -9.919 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.094 -8.909 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.660 -8.660 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.985 -10.055 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.940 -11.692 1.368 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.560 -10.847 2.619 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.487 -11.741 2.194 1.00 0.00 C ATOM 1070 C PHE A 68 -6.114 -11.098 2.338 1.00 0.00 C ATOM 1071 O PHE A 68 -5.999 -9.889 2.544 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.706 -12.180 0.737 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.133 -11.076 -0.199 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.455 -9.863 -0.239 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.209 -11.264 -1.052 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -7.846 -8.864 -1.109 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.605 -10.266 -1.923 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.923 -9.065 -1.951 1.00 0.00 C ATOM 0 H PHE A 68 -8.341 -9.854 2.544 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.515 -12.613 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.781 -12.618 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.462 -12.965 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.613 -9.700 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.745 -12.202 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.310 -7.926 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.447 -10.425 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.231 -8.284 -2.630 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.081 -11.925 2.224 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.703 -11.454 2.217 1.00 0.00 C ATOM 1090 C ASP A 69 -3.300 -11.080 0.801 1.00 0.00 C ATOM 1091 O ASP A 69 -3.159 -11.947 -0.063 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.742 -12.529 2.745 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.970 -12.884 4.199 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -2.347 -12.255 5.079 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -3.752 -13.819 4.469 1.00 0.00 O ATOM 0 H ASP A 69 -5.175 -12.937 2.134 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.641 -10.584 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.848 -13.429 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.717 -12.180 2.621 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.137 -9.796 0.559 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.723 -9.310 -0.750 1.00 0.00 C ATOM 1102 C TRP A 70 -1.270 -8.855 -0.736 1.00 0.00 C ATOM 1103 O TRP A 70 -0.710 -8.551 0.318 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.641 -8.177 -1.237 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.946 -7.110 -0.218 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.351 -6.907 0.998 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.940 -6.090 -0.347 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -3.926 -5.835 1.634 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.900 -5.310 0.824 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.859 -5.759 -1.344 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.752 -4.227 1.026 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.699 -4.682 -1.143 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.640 -3.926 0.032 1.00 0.00 C ATOM 0 H TRP A 70 -3.285 -9.063 1.253 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.809 -10.141 -1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.179 -7.706 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.581 -8.613 -1.574 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.545 -7.504 1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.671 -5.486 2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.912 -6.335 -2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.712 -3.646 1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.415 -4.418 -1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.309 -3.088 0.156 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.657 -8.819 -1.912 1.00 0.00 N ATOM 1125 CA GLN A 71 0.734 -8.414 -2.032 1.00 0.00 C ATOM 1126 C GLN A 71 0.859 -6.899 -1.909 1.00 0.00 C ATOM 1127 O GLN A 71 0.415 -6.155 -2.787 1.00 0.00 O ATOM 1128 CB GLN A 71 1.346 -8.873 -3.366 1.00 0.00 C ATOM 1129 CG GLN A 71 1.455 -10.387 -3.538 1.00 0.00 C ATOM 1130 CD GLN A 71 0.135 -11.048 -3.899 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.619 -11.483 -3.031 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -0.151 -11.121 -5.190 1.00 0.00 N ATOM 0 H GLN A 71 -1.103 -9.066 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 71 1.283 -8.893 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.744 -8.472 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.341 -8.439 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.187 -10.606 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.831 -10.824 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.502 -10.748 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.024 -11.550 -5.495 1.00 0.00 H new ATOM 1141 N VAL A 72 1.435 -6.451 -0.802 1.00 0.00 N ATOM 1142 CA VAL A 72 1.706 -5.037 -0.600 1.00 0.00 C ATOM 1143 C VAL A 72 2.917 -4.615 -1.422 1.00 0.00 C ATOM 1144 O VAL A 72 4.015 -5.142 -1.242 1.00 0.00 O ATOM 1145 CB VAL A 72 1.953 -4.713 0.889 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.358 -3.255 1.068 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.714 -5.025 1.716 1.00 0.00 C ATOM 0 H VAL A 72 1.724 -7.050 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 72 0.827 -4.482 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 72 2.772 -5.340 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.526 -3.051 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.274 -3.061 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.563 -2.608 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.907 -4.790 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.123 -4.425 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.470 -6.083 1.620 1.00 0.00 H new ATOM 1157 N ALA A 73 2.709 -3.684 -2.336 1.00 0.00 N ATOM 1158 CA ALA A 73 3.772 -3.213 -3.200 1.00 0.00 C ATOM 1159 C ALA A 73 4.027 -1.729 -2.988 1.00 0.00 C ATOM 1160 O ALA A 73 3.100 -0.957 -2.762 1.00 0.00 O ATOM 1161 CB ALA A 73 3.424 -3.493 -4.652 1.00 0.00 C ATOM 0 H ALA A 73 1.806 -3.238 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 73 4.687 -3.749 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.229 -3.136 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.295 -4.566 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.498 -2.979 -4.910 1.00 0.00 H new ATOM 1167 N VAL A 74 5.286 -1.341 -3.069 1.00 0.00 N ATOM 1168 CA VAL A 74 5.682 0.046 -2.880 1.00 0.00 C ATOM 1169 C VAL A 74 6.513 0.514 -4.073 1.00 0.00 C ATOM 1170 O VAL A 74 7.424 -0.186 -4.518 1.00 0.00 O ATOM 1171 CB VAL A 74 6.474 0.227 -1.557 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.622 -0.772 -1.460 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.992 1.649 -1.419 1.00 0.00 C ATOM 0 H VAL A 74 6.061 -1.974 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 74 4.782 0.657 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 74 5.786 0.034 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.158 -0.621 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.225 -1.787 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.305 -0.624 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.543 1.746 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.653 1.878 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.152 2.344 -1.420 1.00 0.00 H new ATOM 1183 N ALA A 75 6.174 1.673 -4.615 1.00 0.00 N ATOM 1184 CA ALA A 75 6.863 2.188 -5.787 1.00 0.00 C ATOM 1185 C ALA A 75 7.662 3.439 -5.452 1.00 0.00 C ATOM 1186 O ALA A 75 7.248 4.251 -4.625 1.00 0.00 O ATOM 1187 CB ALA A 75 5.865 2.489 -6.897 1.00 0.00 C ATOM 0 H ALA A 75 5.428 2.273 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 75 7.559 1.422 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.395 2.874 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.336 1.575 -7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.149 3.234 -6.550 1.00 0.00 H new ATOM 1193 N ASP A 76 8.812 3.584 -6.099 1.00 0.00 N ATOM 1194 CA ASP A 76 9.632 4.783 -5.952 1.00 0.00 C ATOM 1195 C ASP A 76 8.912 5.987 -6.557 1.00 0.00 C ATOM 1196 O ASP A 76 8.085 5.831 -7.462 1.00 0.00 O ATOM 1197 CB ASP A 76 10.992 4.579 -6.628 1.00 0.00 C ATOM 1198 CG ASP A 76 11.844 5.834 -6.637 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.567 6.075 -5.652 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.790 6.582 -7.635 1.00 0.00 O ATOM 0 H ASP A 76 9.200 2.885 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 76 9.797 4.971 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.532 3.784 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.835 4.246 -7.654 1.00 0.00 H new ATOM 1205 N LEU A 77 9.231 7.181 -6.065 1.00 0.00 N ATOM 1206 CA LEU A 77 8.541 8.397 -6.482 1.00 0.00 C ATOM 1207 C LEU A 77 8.669 8.651 -7.988 1.00 0.00 C ATOM 1208 O LEU A 77 7.751 9.196 -8.602 1.00 0.00 O ATOM 1209 CB LEU A 77 9.039 9.603 -5.662 1.00 0.00 C ATOM 1210 CG LEU A 77 10.560 9.732 -5.493 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.207 10.349 -6.726 1.00 0.00 C ATOM 1212 CD2 LEU A 77 10.882 10.554 -4.256 1.00 0.00 C ATOM 0 H LEU A 77 9.966 7.332 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 77 7.478 8.258 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.669 10.513 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.588 9.552 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 77 10.971 8.730 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.283 10.426 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.008 9.721 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.793 11.343 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.963 10.639 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.449 11.549 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.465 10.065 -3.376 1.00 0.00 H new ATOM 1224 N GLU A 78 9.778 8.232 -8.590 1.00 0.00 N ATOM 1225 CA GLU A 78 9.967 8.439 -10.019 1.00 0.00 C ATOM 1226 C GLU A 78 9.079 7.489 -10.810 1.00 0.00 C ATOM 1227 O GLU A 78 8.411 7.890 -11.766 1.00 0.00 O ATOM 1228 CB GLU A 78 11.423 8.233 -10.427 1.00 0.00 C ATOM 1229 CG GLU A 78 11.686 8.563 -11.889 1.00 0.00 C ATOM 1230 CD GLU A 78 13.065 8.146 -12.353 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.040 8.867 -12.059 1.00 0.00 O ATOM 1232 OE2 GLU A 78 13.179 7.097 -13.020 1.00 0.00 O ATOM 0 H GLU A 78 10.547 7.755 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 78 9.691 9.470 -10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.061 8.855 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.704 7.197 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.936 8.069 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.567 9.636 -12.040 1.00 0.00 H new ATOM 1239 N GLN A 79 9.069 6.224 -10.403 1.00 0.00 N ATOM 1240 CA GLN A 79 8.262 5.216 -11.076 1.00 0.00 C ATOM 1241 C GLN A 79 6.778 5.531 -10.935 1.00 0.00 C ATOM 1242 O GLN A 79 5.997 5.295 -11.856 1.00 0.00 O ATOM 1243 CB GLN A 79 8.550 3.807 -10.535 1.00 0.00 C ATOM 1244 CG GLN A 79 9.857 3.196 -11.028 1.00 0.00 C ATOM 1245 CD GLN A 79 11.081 3.711 -10.295 1.00 0.00 C ATOM 1246 OE1 GLN A 79 11.492 3.146 -9.286 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.674 4.778 -10.801 1.00 0.00 N ATOM 0 H GLN A 79 9.610 5.874 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 79 8.532 5.237 -12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.570 3.847 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.727 3.149 -10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.807 2.113 -10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.967 3.403 -12.092 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.301 5.218 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.505 5.161 -10.351 1.00 0.00 H new ATOM 1256 N SER A 80 6.402 6.083 -9.787 1.00 0.00 N ATOM 1257 CA SER A 80 5.010 6.412 -9.504 1.00 0.00 C ATOM 1258 C SER A 80 4.457 7.448 -10.485 1.00 0.00 C ATOM 1259 O SER A 80 3.259 7.457 -10.766 1.00 0.00 O ATOM 1260 CB SER A 80 4.881 6.919 -8.072 1.00 0.00 C ATOM 1261 OG SER A 80 5.392 5.964 -7.154 1.00 0.00 O ATOM 0 H SER A 80 7.048 6.314 -9.032 1.00 0.00 H new ATOM 0 HA SER A 80 4.420 5.503 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.421 7.860 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.835 7.124 -7.846 1.00 0.00 H new ATOM 0 HG SER A 80 6.358 5.867 -7.286 1.00 0.00 H new ATOM 1267 N GLU A 81 5.323 8.312 -11.009 1.00 0.00 N ATOM 1268 CA GLU A 81 4.893 9.317 -11.976 1.00 0.00 C ATOM 1269 C GLU A 81 4.428 8.644 -13.266 1.00 0.00 C ATOM 1270 O GLU A 81 3.383 8.988 -13.821 1.00 0.00 O ATOM 1271 CB GLU A 81 6.026 10.308 -12.273 1.00 0.00 C ATOM 1272 CG GLU A 81 5.627 11.424 -13.230 1.00 0.00 C ATOM 1273 CD GLU A 81 6.766 12.379 -13.525 1.00 0.00 C ATOM 1274 OE1 GLU A 81 7.621 12.047 -14.371 1.00 0.00 O ATOM 1275 OE2 GLU A 81 6.815 13.467 -12.914 1.00 0.00 O ATOM 0 H GLU A 81 6.317 8.337 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 81 4.058 9.871 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.366 10.749 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.871 9.764 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.274 10.987 -14.164 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.793 11.981 -12.804 1.00 0.00 H new ATOM 1282 N ALA A 82 5.198 7.663 -13.722 1.00 0.00 N ATOM 1283 CA ALA A 82 4.863 6.933 -14.937 1.00 0.00 C ATOM 1284 C ALA A 82 3.671 6.010 -14.701 1.00 0.00 C ATOM 1285 O ALA A 82 2.772 5.914 -15.538 1.00 0.00 O ATOM 1286 CB ALA A 82 6.063 6.141 -15.428 1.00 0.00 C ATOM 0 H ALA A 82 6.058 7.355 -13.268 1.00 0.00 H new ATOM 0 HA ALA A 82 4.587 7.655 -15.706 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.796 5.601 -16.337 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.887 6.823 -15.640 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.369 5.430 -14.660 1.00 0.00 H new ATOM 1292 N ILE A 83 3.665 5.343 -13.549 1.00 0.00 N ATOM 1293 CA ILE A 83 2.547 4.483 -13.169 1.00 0.00 C ATOM 1294 C ILE A 83 1.258 5.295 -13.106 1.00 0.00 C ATOM 1295 O ILE A 83 0.213 4.870 -13.596 1.00 0.00 O ATOM 1296 CB ILE A 83 2.792 3.796 -11.804 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.020 2.886 -11.880 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.564 3.002 -11.369 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.390 2.251 -10.557 1.00 0.00 C ATOM 0 H ILE A 83 4.420 5.381 -12.864 1.00 0.00 H new ATOM 0 HA ILE A 83 2.457 3.707 -13.929 1.00 0.00 H new ATOM 0 HB ILE A 83 2.977 4.570 -11.059 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.833 2.099 -12.611 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.868 3.465 -12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.759 2.528 -10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.711 3.674 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.344 2.236 -12.113 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.269 1.620 -10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.609 3.031 -9.828 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.558 1.644 -10.200 1.00 0.00 H new ATOM 1311 N GLY A 84 1.351 6.481 -12.518 1.00 0.00 N ATOM 1312 CA GLY A 84 0.203 7.352 -12.406 1.00 0.00 C ATOM 1313 C GLY A 84 -0.265 7.878 -13.750 1.00 0.00 C ATOM 1314 O GLY A 84 -1.443 8.172 -13.929 1.00 0.00 O ATOM 0 H GLY A 84 2.210 6.855 -12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.613 6.811 -11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.451 8.192 -11.758 1.00 0.00 H new ATOM 1318 N ASP A 85 0.659 7.998 -14.695 1.00 0.00 N ATOM 1319 CA ASP A 85 0.334 8.512 -16.026 1.00 0.00 C ATOM 1320 C ASP A 85 -0.363 7.452 -16.861 1.00 0.00 C ATOM 1321 O ASP A 85 -1.204 7.765 -17.703 1.00 0.00 O ATOM 1322 CB ASP A 85 1.594 8.968 -16.751 1.00 0.00 C ATOM 1323 CG ASP A 85 1.268 9.698 -18.038 1.00 0.00 C ATOM 1324 OD1 ASP A 85 0.950 10.903 -17.978 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.307 9.067 -19.113 1.00 0.00 O ATOM 0 H ASP A 85 1.640 7.747 -14.568 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.335 9.362 -15.894 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.173 9.622 -16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.220 8.103 -16.972 1.00 0.00 H new ATOM 1330 N ARG A 86 0.002 6.201 -16.601 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.560 5.035 -17.294 1.00 0.00 C ATOM 1332 C ARG A 86 -2.083 5.133 -17.412 1.00 0.00 C ATOM 1333 O ARG A 86 -2.651 4.894 -18.477 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.181 3.760 -16.531 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.569 2.456 -17.218 1.00 0.00 C ATOM 1336 CD ARG A 86 0.191 2.255 -18.517 1.00 0.00 C ATOM 1337 NE ARG A 86 0.212 0.849 -18.933 1.00 0.00 N ATOM 1338 CZ ARG A 86 0.929 0.387 -19.961 1.00 0.00 C ATOM 1339 NH1 ARG A 86 1.601 1.230 -20.741 1.00 0.00 N ATOM 1340 NH2 ARG A 86 0.960 -0.915 -20.218 1.00 0.00 N ATOM 0 H ARG A 86 0.701 5.960 -15.899 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.148 5.005 -18.302 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.897 3.760 -16.368 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.652 3.789 -15.549 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.371 1.619 -16.548 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.640 2.456 -17.420 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.267 2.858 -19.301 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.214 2.612 -18.397 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.355 0.184 -18.406 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.570 2.232 -20.555 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.148 0.874 -21.525 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.436 -1.563 -19.630 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.508 -1.267 -21.003 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.735 5.500 -16.316 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.190 5.635 -16.301 1.00 0.00 C ATOM 1356 C PHE A 87 -4.610 7.030 -15.847 1.00 0.00 C ATOM 1357 O PHE A 87 -5.783 7.281 -15.587 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.819 4.556 -15.410 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.929 4.094 -14.291 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.716 4.887 -13.177 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -3.301 2.859 -14.359 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.894 4.461 -12.154 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -2.480 2.425 -13.339 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.275 3.230 -12.234 1.00 0.00 C ATOM 0 H PHE A 87 -2.282 5.710 -15.426 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.554 5.496 -17.319 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.746 4.943 -14.987 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.084 3.698 -16.028 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.199 5.851 -13.108 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.457 2.229 -15.222 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.735 5.091 -11.291 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.999 1.460 -13.403 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.631 2.896 -11.434 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.634 7.928 -15.779 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.861 9.329 -15.407 1.00 0.00 C ATOM 1376 C ASN A 88 -4.549 9.451 -14.044 1.00 0.00 C ATOM 1377 O ASN A 88 -5.705 9.860 -13.943 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.676 10.059 -16.485 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.675 11.564 -16.293 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.716 12.132 -15.770 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.739 12.219 -16.723 1.00 0.00 N ATOM 0 H ASN A 88 -2.658 7.709 -15.980 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.883 9.803 -15.329 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.269 9.821 -17.468 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.703 9.694 -16.469 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.787 13.233 -16.627 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.513 11.710 -17.151 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.824 9.083 -12.995 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.336 9.177 -11.633 1.00 0.00 C ATOM 1390 C VAL A 89 -3.597 10.281 -10.866 1.00 0.00 C ATOM 1391 O VAL A 89 -3.718 10.398 -9.646 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.197 7.824 -10.884 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -2.751 7.560 -10.487 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.117 7.770 -9.669 1.00 0.00 C ATOM 0 H VAL A 89 -2.875 8.715 -13.062 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.396 9.425 -11.688 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.503 7.034 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.686 6.606 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.128 7.528 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.402 8.358 -9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.998 6.811 -9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.860 8.576 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.152 7.884 -9.991 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.844 11.099 -11.606 1.00 0.00 N ATOM 1405 CA ARG A 90 -2.039 12.174 -11.015 1.00 0.00 C ATOM 1406 C ARG A 90 -2.895 13.106 -10.156 1.00 0.00 C ATOM 1407 O ARG A 90 -3.626 13.953 -10.669 1.00 0.00 O ATOM 1408 CB ARG A 90 -1.315 12.971 -12.114 1.00 0.00 C ATOM 1409 CG ARG A 90 -2.204 13.339 -13.293 1.00 0.00 C ATOM 1410 CD ARG A 90 -1.525 14.322 -14.239 1.00 0.00 C ATOM 1411 NE ARG A 90 -0.202 13.868 -14.681 1.00 0.00 N ATOM 1412 CZ ARG A 90 0.007 13.002 -15.675 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -1.015 12.427 -16.301 1.00 0.00 N ATOM 1414 NH2 ARG A 90 1.247 12.707 -16.046 1.00 0.00 N ATOM 0 H ARG A 90 -2.774 11.037 -12.622 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.294 11.713 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.908 13.884 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.470 12.386 -12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.471 12.435 -13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.133 13.774 -12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.160 14.477 -15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.425 15.287 -13.742 1.00 0.00 H new ATOM 0 HE ARG A 90 0.614 14.240 -14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.972 12.646 -16.023 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.843 11.767 -17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.038 13.142 -15.572 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.408 12.045 -16.805 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.819 12.917 -8.844 1.00 0.00 N ATOM 1429 CA ARG A 91 -3.562 13.737 -7.898 1.00 0.00 C ATOM 1430 C ARG A 91 -2.779 13.849 -6.597 1.00 0.00 C ATOM 1431 O ARG A 91 -2.233 14.901 -6.273 1.00 0.00 O ATOM 1432 CB ARG A 91 -4.940 13.123 -7.627 1.00 0.00 C ATOM 1433 CG ARG A 91 -6.093 14.104 -7.771 1.00 0.00 C ATOM 1434 CD ARG A 91 -6.220 14.594 -9.202 1.00 0.00 C ATOM 1435 NE ARG A 91 -7.420 15.397 -9.418 1.00 0.00 N ATOM 1436 CZ ARG A 91 -7.872 15.734 -10.625 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -7.205 15.358 -11.709 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -8.987 16.441 -10.749 1.00 0.00 N ATOM 0 H ARG A 91 -2.244 12.195 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.702 14.731 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.097 12.291 -8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.951 12.711 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.023 13.625 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.937 14.953 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.341 15.185 -9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.235 13.737 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.940 15.717 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.348 14.812 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.549 15.615 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.503 16.730 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.329 16.696 -11.676 1.00 0.00 H new ATOM 1452 N PHE A 92 -2.704 12.738 -5.876 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.955 12.671 -4.631 1.00 0.00 C ATOM 1454 C PHE A 92 -1.428 11.253 -4.436 1.00 0.00 C ATOM 1455 O PHE A 92 -1.998 10.306 -4.978 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.839 13.091 -3.441 1.00 0.00 C ATOM 1457 CG PHE A 92 -4.065 12.238 -3.235 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -5.232 12.496 -3.936 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -4.053 11.185 -2.330 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -6.360 11.724 -3.742 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -5.180 10.409 -2.133 1.00 0.00 C ATOM 1462 CZ PHE A 92 -6.333 10.678 -2.841 1.00 0.00 C ATOM 0 H PHE A 92 -3.159 11.863 -6.137 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.114 13.362 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.238 13.065 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.152 14.125 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.260 13.312 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.153 10.970 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.263 11.938 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.158 9.593 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.214 10.071 -2.691 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.322 11.092 -3.690 1.00 0.00 N ATOM 1473 CA PRO A 93 0.244 9.772 -3.391 1.00 0.00 C ATOM 1474 C PRO A 93 -0.752 8.881 -2.657 1.00 0.00 C ATOM 1475 O PRO A 93 -1.175 9.188 -1.541 1.00 0.00 O ATOM 1476 CB PRO A 93 1.448 10.083 -2.497 1.00 0.00 C ATOM 1477 CG PRO A 93 1.780 11.506 -2.780 1.00 0.00 C ATOM 1478 CD PRO A 93 0.471 12.176 -3.085 1.00 0.00 C ATOM 0 HA PRO A 93 0.510 9.227 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.207 9.936 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.289 9.428 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.268 11.972 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.467 11.588 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.002 12.568 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.597 13.015 -3.770 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.122 7.782 -3.294 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.124 6.878 -2.755 1.00 0.00 C ATOM 1488 C ALA A 94 -1.733 5.431 -3.015 1.00 0.00 C ATOM 1489 O ALA A 94 -0.776 5.159 -3.741 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.483 7.178 -3.376 1.00 0.00 C ATOM 0 H ALA A 94 -0.739 7.493 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.186 7.028 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.229 6.496 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.768 8.205 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.426 7.047 -4.457 1.00 0.00 H new ATOM 1496 N THR A 95 -2.476 4.506 -2.428 1.00 0.00 N ATOM 1497 CA THR A 95 -2.243 3.094 -2.652 1.00 0.00 C ATOM 1498 C THR A 95 -3.369 2.543 -3.512 1.00 0.00 C ATOM 1499 O THR A 95 -4.526 2.621 -3.130 1.00 0.00 O ATOM 1500 CB THR A 95 -2.188 2.331 -1.317 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.347 3.039 -0.400 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.656 0.920 -1.512 1.00 0.00 C ATOM 0 H THR A 95 -3.246 4.712 -1.792 1.00 0.00 H new ATOM 0 HA THR A 95 -1.286 2.965 -3.157 1.00 0.00 H new ATOM 0 HB THR A 95 -3.200 2.261 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.312 2.556 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.629 0.405 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.308 0.377 -2.196 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.650 0.965 -1.928 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.043 2.000 -4.666 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.070 1.565 -5.598 1.00 0.00 C ATOM 1512 C LEU A 96 -4.433 0.106 -5.371 1.00 0.00 C ATOM 1513 O LEU A 96 -3.558 -0.746 -5.226 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.602 1.784 -7.035 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.379 3.245 -7.427 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.872 3.340 -8.854 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.661 4.049 -7.263 1.00 0.00 C ATOM 0 H LEU A 96 -2.085 1.849 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.965 2.162 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.671 1.237 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.339 1.351 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.625 3.666 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.719 4.387 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.928 2.802 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.605 2.900 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.479 5.085 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.438 3.629 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.985 4.010 -6.223 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.731 -0.166 -5.345 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.238 -1.499 -5.061 1.00 0.00 C ATOM 1531 C VAL A 97 -6.591 -2.232 -6.348 1.00 0.00 C ATOM 1532 O VAL A 97 -7.515 -1.839 -7.071 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.484 -1.445 -4.152 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.011 -2.841 -3.870 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.171 -0.714 -2.856 1.00 0.00 C ATOM 0 H VAL A 97 -6.458 0.528 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.445 -2.039 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.263 -0.892 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.889 -2.776 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.283 -3.324 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.239 -3.427 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.062 -0.687 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.372 -1.235 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.854 0.304 -3.080 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.853 -3.293 -6.626 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.082 -4.094 -7.809 1.00 0.00 C ATOM 1547 C PHE A 98 -6.663 -5.441 -7.407 1.00 0.00 C ATOM 1548 O PHE A 98 -6.058 -6.185 -6.633 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.776 -4.309 -8.586 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.123 -3.042 -9.064 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.432 -2.228 -8.182 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.191 -2.669 -10.398 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.824 -1.068 -8.619 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.583 -1.510 -10.838 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.900 -0.709 -9.948 1.00 0.00 C ATOM 0 H PHE A 98 -5.084 -3.619 -6.041 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.784 -3.565 -8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.074 -4.848 -7.950 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.980 -4.946 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.368 -2.504 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.725 -3.292 -11.100 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.289 -0.442 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.643 -1.231 -11.880 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.425 0.198 -10.291 1.00 0.00 H new ATOM 1565 N THR A 99 -7.842 -5.737 -7.918 1.00 0.00 N ATOM 1566 CA THR A 99 -8.502 -6.999 -7.639 1.00 0.00 C ATOM 1567 C THR A 99 -8.834 -7.719 -8.939 1.00 0.00 C ATOM 1568 O THR A 99 -9.438 -7.131 -9.838 1.00 0.00 O ATOM 1569 CB THR A 99 -9.786 -6.784 -6.815 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.567 -5.727 -7.397 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.451 -6.445 -5.369 1.00 0.00 C ATOM 0 H THR A 99 -8.367 -5.116 -8.534 1.00 0.00 H new ATOM 0 HA THR A 99 -7.818 -7.614 -7.053 1.00 0.00 H new ATOM 0 HB THR A 99 -10.362 -7.709 -6.826 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.634 -5.865 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.373 -6.298 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.883 -7.263 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.857 -5.532 -5.338 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.406 -8.978 -9.036 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.599 -9.802 -10.238 1.00 0.00 C ATOM 1581 C ASP A 100 -7.760 -9.261 -11.391 1.00 0.00 C ATOM 1582 O ASP A 100 -7.895 -9.682 -12.537 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.079 -9.841 -10.644 1.00 0.00 C ATOM 1584 CG ASP A 100 -10.433 -11.047 -11.497 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -10.704 -12.125 -10.928 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -10.456 -10.928 -12.742 1.00 0.00 O ATOM 0 H ASP A 100 -7.914 -9.460 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.277 -10.817 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.696 -9.846 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.323 -8.931 -11.193 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.873 -8.338 -11.070 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.104 -7.661 -12.086 1.00 0.00 C ATOM 1593 C GLY A 101 -6.763 -6.365 -12.507 1.00 0.00 C ATOM 1594 O GLY A 101 -6.201 -5.597 -13.283 1.00 0.00 O ATOM 0 H GLY A 101 -6.671 -8.043 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.102 -7.456 -11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.991 -8.312 -12.953 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.963 -6.122 -11.991 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.707 -4.925 -12.339 1.00 0.00 C ATOM 1600 C LYS A 102 -8.571 -3.875 -11.241 1.00 0.00 C ATOM 1601 O LYS A 102 -8.708 -4.179 -10.052 1.00 0.00 O ATOM 1602 CB LYS A 102 -10.180 -5.278 -12.569 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.377 -6.374 -13.604 1.00 0.00 C ATOM 1604 CD LYS A 102 -9.872 -5.945 -14.970 1.00 0.00 C ATOM 1605 CE LYS A 102 -9.831 -7.108 -15.952 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.151 -7.780 -16.090 1.00 0.00 N ATOM 0 H LYS A 102 -8.437 -6.739 -11.332 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.298 -4.508 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.623 -5.595 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.716 -4.384 -12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.851 -7.275 -13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.435 -6.629 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.516 -5.159 -15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.874 -5.519 -14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.507 -6.745 -16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.089 -7.834 -15.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.108 -8.473 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.387 -8.267 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.881 -7.070 -16.301 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.303 -2.644 -11.645 1.00 0.00 N ATOM 1621 CA LEU A 103 -8.138 -1.545 -10.708 1.00 0.00 C ATOM 1622 C LEU A 103 -9.493 -0.930 -10.388 1.00 0.00 C ATOM 1623 O LEU A 103 -10.109 -0.283 -11.237 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.198 -0.489 -11.304 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.942 0.743 -10.430 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.306 0.352 -9.108 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.068 1.749 -11.165 1.00 0.00 C ATOM 0 H LEU A 103 -8.194 -2.380 -12.624 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.699 -1.922 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.241 -0.963 -11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.612 -0.157 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.904 1.210 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.135 1.246 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.970 -0.325 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.355 -0.146 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.898 2.617 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.112 1.288 -11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.568 2.064 -12.081 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.972 -1.157 -9.174 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.283 -0.654 -8.781 1.00 0.00 C ATOM 1641 C ARG A 104 -11.178 0.691 -8.077 1.00 0.00 C ATOM 1642 O ARG A 104 -12.053 1.544 -8.232 1.00 0.00 O ATOM 1643 CB ARG A 104 -12.013 -1.644 -7.875 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.399 -2.941 -8.562 1.00 0.00 C ATOM 1645 CD ARG A 104 -13.613 -3.569 -7.898 1.00 0.00 C ATOM 1646 NE ARG A 104 -14.780 -2.690 -7.988 1.00 0.00 N ATOM 1647 CZ ARG A 104 -15.947 -2.915 -7.385 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -16.106 -3.970 -6.598 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -16.946 -2.059 -7.555 1.00 0.00 N ATOM 0 H ARG A 104 -9.480 -1.680 -8.450 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.856 -0.526 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.378 -1.873 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.914 -1.169 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.613 -2.750 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.561 -3.637 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.837 -4.524 -8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.391 -3.777 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.694 -1.845 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.332 -4.617 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.003 -4.134 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.818 -1.236 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.842 -2.224 -7.097 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.115 0.882 -7.306 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.976 2.115 -6.555 1.00 0.00 C ATOM 1665 C GLY A 105 -8.666 2.211 -5.811 1.00 0.00 C ATOM 1666 O GLY A 105 -7.679 1.582 -6.189 1.00 0.00 O ATOM 0 H GLY A 105 -9.354 0.213 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.062 2.961 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.798 2.195 -5.843 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.665 2.989 -4.740 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.458 3.225 -3.966 1.00 0.00 C ATOM 1672 C ALA A 106 -7.726 3.076 -2.470 1.00 0.00 C ATOM 1673 O ALA A 106 -8.871 3.130 -2.025 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.894 4.607 -4.273 1.00 0.00 C ATOM 0 H ALA A 106 -9.492 3.470 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.720 2.475 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.990 4.770 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.655 4.675 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.633 5.366 -4.019 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.662 2.888 -1.707 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.755 2.741 -0.268 1.00 0.00 C ATOM 1682 C LEU A 107 -6.444 4.079 0.382 1.00 0.00 C ATOM 1683 O LEU A 107 -5.343 4.300 0.887 1.00 0.00 O ATOM 1684 CB LEU A 107 -5.766 1.668 0.212 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.235 0.791 1.380 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -6.451 1.622 2.632 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -7.510 0.057 1.009 1.00 0.00 C ATOM 0 H LEU A 107 -5.710 2.833 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.761 2.429 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.529 1.019 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.839 2.162 0.504 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.455 0.059 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.783 0.976 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.516 2.107 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.209 2.381 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.831 -0.561 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.290 0.780 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.326 -0.576 0.141 1.00 0.00 H new ATOM 1699 N SER A 108 -7.394 4.994 0.306 1.00 0.00 N ATOM 1700 CA SER A 108 -7.219 6.325 0.856 1.00 0.00 C ATOM 1701 C SER A 108 -8.571 6.939 1.174 1.00 0.00 C ATOM 1702 O SER A 108 -9.515 6.815 0.393 1.00 0.00 O ATOM 1703 CB SER A 108 -6.460 7.212 -0.136 1.00 0.00 C ATOM 1704 OG SER A 108 -5.200 6.647 -0.461 1.00 0.00 O ATOM 0 H SER A 108 -8.300 4.837 -0.135 1.00 0.00 H new ATOM 0 HA SER A 108 -6.639 6.251 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.051 7.338 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.318 8.204 0.292 1.00 0.00 H new ATOM 0 HG SER A 108 -4.664 7.304 -0.952 1.00 0.00 H new ATOM 1710 N GLY A 109 -8.662 7.586 2.324 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.897 8.220 2.720 1.00 0.00 C ATOM 1712 C GLY A 109 -9.664 9.320 3.730 1.00 0.00 C ATOM 1713 O GLY A 109 -8.556 9.844 3.837 1.00 0.00 O ATOM 0 H GLY A 109 -7.898 7.683 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.392 8.633 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.569 7.474 3.144 1.00 0.00 H new ATOM 1717 N ILE A 110 -10.703 9.670 4.468 1.00 0.00 N ATOM 1718 CA ILE A 110 -10.602 10.702 5.485 1.00 0.00 C ATOM 1719 C ILE A 110 -10.489 10.040 6.852 1.00 0.00 C ATOM 1720 O ILE A 110 -11.102 8.997 7.074 1.00 0.00 O ATOM 1721 CB ILE A 110 -11.828 11.645 5.448 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -12.050 12.175 4.025 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -11.654 12.802 6.426 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -10.858 12.916 3.454 1.00 0.00 C ATOM 0 H ILE A 110 -11.630 9.253 4.381 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.715 11.305 5.290 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.706 11.075 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.293 11.339 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.913 12.841 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.529 13.451 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.544 12.410 7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.765 13.373 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.092 13.260 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.626 13.774 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.997 12.248 3.419 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.703 10.653 7.749 1.00 0.00 N ATOM 1737 CA HIS A 111 -9.386 10.091 9.070 1.00 0.00 C ATOM 1738 C HIS A 111 -8.299 9.026 8.952 1.00 0.00 C ATOM 1739 O HIS A 111 -8.171 8.372 7.919 1.00 0.00 O ATOM 1740 CB HIS A 111 -10.620 9.509 9.773 1.00 0.00 C ATOM 1741 CG HIS A 111 -11.638 10.534 10.171 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -11.702 11.084 11.433 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -12.646 11.100 9.467 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -12.702 11.941 11.485 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -13.292 11.970 10.307 1.00 0.00 N ATOM 0 H HIS A 111 -9.267 11.559 7.577 1.00 0.00 H new ATOM 0 HA HIS A 111 -9.021 10.915 9.684 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.092 8.782 9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -10.297 8.969 10.663 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -12.895 10.903 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -12.990 12.522 12.349 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -14.097 12.545 10.061 1.00 0.00 H new ATOM 1754 N PRO A 112 -7.493 8.844 10.011 1.00 0.00 N ATOM 1755 CA PRO A 112 -6.383 7.883 10.016 1.00 0.00 C ATOM 1756 C PRO A 112 -6.845 6.434 10.173 1.00 0.00 C ATOM 1757 O PRO A 112 -6.017 5.525 10.298 1.00 0.00 O ATOM 1758 CB PRO A 112 -5.537 8.308 11.228 1.00 0.00 C ATOM 1759 CG PRO A 112 -6.134 9.590 11.715 1.00 0.00 C ATOM 1760 CD PRO A 112 -7.566 9.573 11.281 1.00 0.00 C ATOM 0 HA PRO A 112 -5.841 7.901 9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.560 7.546 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.493 8.445 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.056 9.669 12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.610 10.448 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.205 9.068 12.005 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.965 10.579 11.151 1.00 0.00 H new ATOM 1768 N TRP A 113 -8.159 6.229 10.181 1.00 0.00 N ATOM 1769 CA TRP A 113 -8.743 4.898 10.280 1.00 0.00 C ATOM 1770 C TRP A 113 -10.262 5.003 10.166 1.00 0.00 C ATOM 1771 O TRP A 113 -10.796 6.114 10.073 1.00 0.00 O ATOM 1772 CB TRP A 113 -8.347 4.222 11.603 1.00 0.00 C ATOM 1773 CG TRP A 113 -8.451 2.727 11.561 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -9.355 1.946 12.219 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -7.620 1.833 10.811 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -9.133 0.624 11.928 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -8.075 0.528 11.067 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -6.535 2.012 9.950 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -7.483 -0.592 10.493 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -5.947 0.899 9.380 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -6.422 -0.389 9.655 1.00 0.00 C ATOM 0 H TRP A 113 -8.846 6.980 10.119 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.361 4.282 9.466 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -7.323 4.501 11.853 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -8.985 4.601 12.402 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -10.132 2.314 12.873 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -9.671 -0.161 12.295 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.162 3.002 9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.848 -1.587 10.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.108 1.025 8.712 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.940 -1.240 9.196 1.00 0.00 H new ATOM 1792 N ALA A 114 -10.936 3.847 10.171 1.00 0.00 N ATOM 1793 CA ALA A 114 -12.394 3.759 10.037 1.00 0.00 C ATOM 1794 C ALA A 114 -12.814 4.015 8.595 1.00 0.00 C ATOM 1795 O ALA A 114 -13.978 4.297 8.305 1.00 0.00 O ATOM 1796 CB ALA A 114 -13.112 4.706 10.996 1.00 0.00 C ATOM 0 H ALA A 114 -10.481 2.939 10.269 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.690 2.746 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.190 4.609 10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.848 4.453 12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.812 5.733 10.787 1.00 0.00 H new ATOM 1802 N GLU A 115 -11.854 3.873 7.696 1.00 0.00 N ATOM 1803 CA GLU A 115 -12.075 4.071 6.274 1.00 0.00 C ATOM 1804 C GLU A 115 -12.312 2.737 5.565 1.00 0.00 C ATOM 1805 O GLU A 115 -13.169 2.639 4.682 1.00 0.00 O ATOM 1806 CB GLU A 115 -10.880 4.812 5.643 1.00 0.00 C ATOM 1807 CG GLU A 115 -9.569 4.706 6.428 1.00 0.00 C ATOM 1808 CD GLU A 115 -9.099 3.279 6.636 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -9.511 2.659 7.646 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -8.348 2.767 5.788 1.00 0.00 O ATOM 0 H GLU A 115 -10.896 3.616 7.934 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.969 4.682 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.718 4.421 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.139 5.865 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.794 5.262 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.698 5.183 7.400 1.00 0.00 H new ATOM 1817 N LEU A 116 -11.560 1.714 5.972 1.00 0.00 N ATOM 1818 CA LEU A 116 -11.649 0.383 5.375 1.00 0.00 C ATOM 1819 C LEU A 116 -13.083 -0.119 5.311 1.00 0.00 C ATOM 1820 O LEU A 116 -13.510 -0.639 4.286 1.00 0.00 O ATOM 1821 CB LEU A 116 -10.803 -0.619 6.162 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.292 -0.461 6.005 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.563 -1.460 6.886 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -8.885 -0.638 4.548 1.00 0.00 C ATOM 0 H LEU A 116 -10.874 1.785 6.723 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.269 0.469 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.053 -0.530 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.081 -1.627 5.852 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.015 0.545 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.487 -1.336 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.832 -1.290 7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.846 -2.473 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.805 -0.522 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.174 -1.632 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.384 0.114 3.937 1.00 0.00 H new ATOM 1836 N LEU A 117 -13.821 0.056 6.401 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.195 -0.440 6.498 1.00 0.00 C ATOM 1838 C LEU A 117 -16.065 0.119 5.376 1.00 0.00 C ATOM 1839 O LEU A 117 -16.847 -0.604 4.758 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.805 -0.083 7.865 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.255 -0.857 9.074 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.352 -2.355 8.838 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -13.819 -0.455 9.382 1.00 0.00 C ATOM 0 H LEU A 117 -13.491 0.540 7.236 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.163 -1.525 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.653 0.982 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.881 -0.247 7.814 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.866 -0.601 9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -14.958 -2.886 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.395 -2.633 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.773 -2.622 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.459 -1.020 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.188 -0.668 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.780 0.611 9.606 1.00 0.00 H new ATOM 1855 N THR A 118 -15.910 1.401 5.102 1.00 0.00 N ATOM 1856 CA THR A 118 -16.694 2.059 4.073 1.00 0.00 C ATOM 1857 C THR A 118 -16.162 1.722 2.680 1.00 0.00 C ATOM 1858 O THR A 118 -16.933 1.533 1.734 1.00 0.00 O ATOM 1859 CB THR A 118 -16.675 3.583 4.284 1.00 0.00 C ATOM 1860 OG1 THR A 118 -16.926 3.877 5.665 1.00 0.00 O ATOM 1861 CG2 THR A 118 -17.721 4.271 3.419 1.00 0.00 C ATOM 0 H THR A 118 -15.245 2.010 5.580 1.00 0.00 H new ATOM 0 HA THR A 118 -17.720 1.698 4.147 1.00 0.00 H new ATOM 0 HB THR A 118 -15.693 3.957 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.912 4.847 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.684 5.347 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.518 4.063 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 118 -18.711 3.897 3.679 1.00 0.00 H new ATOM 1869 N LEU A 119 -14.843 1.626 2.565 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.202 1.357 1.284 1.00 0.00 C ATOM 1871 C LEU A 119 -14.433 -0.083 0.832 1.00 0.00 C ATOM 1872 O LEU A 119 -14.727 -0.331 -0.339 1.00 0.00 O ATOM 1873 CB LEU A 119 -12.699 1.643 1.367 1.00 0.00 C ATOM 1874 CG LEU A 119 -12.318 3.106 1.615 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -10.808 3.253 1.713 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -12.865 3.994 0.508 1.00 0.00 C ATOM 0 H LEU A 119 -14.195 1.731 3.346 1.00 0.00 H new ATOM 0 HA LEU A 119 -14.654 2.020 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.275 1.035 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.233 1.317 0.437 1.00 0.00 H new ATOM 0 HG LEU A 119 -12.759 3.421 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.555 4.298 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.436 2.646 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.349 2.921 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -12.585 5.030 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.451 3.678 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -13.951 3.911 0.479 1.00 0.00 H new ATOM 1888 N MET A 120 -14.304 -1.027 1.759 1.00 0.00 N ATOM 1889 CA MET A 120 -14.433 -2.440 1.423 1.00 0.00 C ATOM 1890 C MET A 120 -15.823 -2.744 0.878 1.00 0.00 C ATOM 1891 O MET A 120 -15.950 -3.437 -0.119 1.00 0.00 O ATOM 1892 CB MET A 120 -14.123 -3.347 2.624 1.00 0.00 C ATOM 1893 CG MET A 120 -15.118 -3.240 3.772 1.00 0.00 C ATOM 1894 SD MET A 120 -14.802 -4.430 5.091 1.00 0.00 S ATOM 1895 CE MET A 120 -15.040 -5.975 4.215 1.00 0.00 C ATOM 0 H MET A 120 -14.111 -0.841 2.743 1.00 0.00 H new ATOM 0 HA MET A 120 -13.696 -2.652 0.648 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.092 -4.382 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.128 -3.105 2.999 1.00 0.00 H new ATOM 0 HG2 MET A 120 -15.082 -2.231 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 120 -16.126 -3.392 3.387 1.00 0.00 H new ATOM 0 HE1 MET A 120 -15.303 -6.759 4.925 1.00 0.00 H new ATOM 0 HE2 MET A 120 -15.843 -5.861 3.487 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.119 -6.246 3.699 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.852 -2.183 1.503 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.224 -2.423 1.090 1.00 0.00 C ATOM 1907 C ARG A 121 -18.410 -2.161 -0.404 1.00 0.00 C ATOM 1908 O ARG A 121 -19.049 -2.941 -1.110 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.162 -1.541 1.905 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.806 -2.257 3.087 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.702 -3.400 2.623 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.771 -2.931 1.739 1.00 0.00 N ATOM 1913 CZ ARG A 121 -22.182 -3.580 0.646 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.687 -4.775 0.337 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -23.120 -3.040 -0.118 1.00 0.00 N ATOM 0 H ARG A 121 -16.758 -1.556 2.302 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.461 -3.471 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.607 -0.678 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.947 -1.160 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.030 -2.646 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.392 -1.546 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.100 -4.144 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.139 -3.894 3.491 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.232 -2.052 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.985 -5.207 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.010 -5.260 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.522 -2.136 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.440 -3.528 -0.954 1.00 0.00 H new ATOM 1929 N SER A 122 -17.846 -1.061 -0.872 1.00 0.00 N ATOM 1930 CA SER A 122 -17.909 -0.709 -2.281 1.00 0.00 C ATOM 1931 C SER A 122 -16.935 -1.543 -3.126 1.00 0.00 C ATOM 1932 O SER A 122 -17.345 -2.193 -4.092 1.00 0.00 O ATOM 1933 CB SER A 122 -17.615 0.785 -2.458 1.00 0.00 C ATOM 1934 OG SER A 122 -17.693 1.171 -3.821 1.00 0.00 O ATOM 0 H SER A 122 -17.337 -0.393 -0.294 1.00 0.00 H new ATOM 0 HA SER A 122 -18.917 -0.929 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.325 1.369 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.621 1.010 -2.071 1.00 0.00 H new ATOM 0 HG SER A 122 -17.502 2.129 -3.901 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.657 -1.550 -2.746 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.605 -2.084 -3.616 1.00 0.00 C ATOM 1942 C ILE A 123 -14.377 -3.590 -3.422 1.00 0.00 C ATOM 1943 O ILE A 123 -14.403 -4.352 -4.388 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.271 -1.335 -3.382 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.465 0.176 -3.567 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.193 -1.850 -4.329 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -12.229 0.994 -3.256 1.00 0.00 C ATOM 0 H ILE A 123 -15.325 -1.195 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.949 -1.928 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 123 -12.948 -1.522 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.769 0.371 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.281 0.509 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.263 -1.311 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.035 -2.915 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.509 -1.693 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -12.444 2.051 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.936 0.831 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.416 0.690 -3.915 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.173 -4.021 -2.184 1.00 0.00 N ATOM 1960 CA VAL A 124 -13.849 -5.422 -1.907 1.00 0.00 C ATOM 1961 C VAL A 124 -14.588 -5.903 -0.665 1.00 0.00 C ATOM 1962 O VAL A 124 -14.023 -5.968 0.428 1.00 0.00 O ATOM 1963 CB VAL A 124 -12.331 -5.659 -1.705 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.024 -7.148 -1.626 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -11.514 -5.007 -2.810 1.00 0.00 C ATOM 0 H VAL A 124 -14.225 -3.427 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.165 -5.987 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.048 -5.194 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.953 -7.292 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.563 -7.587 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.336 -7.633 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -10.454 -5.193 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.804 -5.427 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.698 -3.933 -2.813 1.00 0.00 H new ATOM 1975 N ASP A 125 -15.867 -6.187 -0.831 1.00 0.00 N ATOM 1976 CA ASP A 125 -16.696 -6.655 0.273 1.00 0.00 C ATOM 1977 C ASP A 125 -16.888 -8.158 0.168 1.00 0.00 C ATOM 1978 O ASP A 125 -16.483 -8.908 1.057 1.00 0.00 O ATOM 1979 CB ASP A 125 -18.049 -5.935 0.262 1.00 0.00 C ATOM 1980 CG ASP A 125 -18.867 -6.196 1.509 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -18.381 -5.891 2.617 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.009 -6.684 1.390 1.00 0.00 O ATOM 0 H ASP A 125 -16.358 -6.103 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 125 -16.198 -6.430 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -17.883 -4.862 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.617 -6.254 -0.612 1.00 0.00 H new