USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot 180:sc= -0.0301 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 91 GLN : amide:sc= -4.05 K(o=-4.1,f=-14!) USER MOD Set 2.1: A 30 TYR OH : rot 17:sc= -1.16 USER MOD Set 2.2: A 81 ASN : amide:sc= -3.25 K(o=-3.5,f=-13!) USER MOD Set 2.3: A 82 THR OG1 : rot -55:sc= -0.117 USER MOD Set 2.4: A 98 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.1: A 68 SER OG : rot 26:sc= 0.508 USER MOD Set 3.2: A 71 THR OG1 : rot -16:sc= 1 USER MOD Set 4.1: A 66 GLN : amide:sc= -0.196 X(o=-0.31,f=-0.15) USER MOD Set 4.2: A 80 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 10 SER OG : rot 163:sc= -4.1! USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0.179 (180deg=0.148) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= 0.146 (180deg=-0.0254) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.921 (180deg=-1.11) USER MOD Single : A 34 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-6.6!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.12 USER MOD Single : A 48 ASN : amide:sc= -2.83! C(o=-2.8!,f=-12!) USER MOD Single : A 54 THR OG1 : rot -49:sc= 0.743 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.311 USER MOD Single : A 60 GLN : amide:sc= -0.873 K(o=-0.87,f=-0.33) USER MOD Single : A 64 GLN : amide:sc=-0.00766 X(o=-0.0077,f=-0.015) USER MOD Single : A 70 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.089) USER MOD Single : A 73 SER OG : rot -74:sc= -0.773 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 30:sc= -3.02! USER MOD Single : A 90 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-7.9!) USER MOD Single : A 96 LYS NZ :NH3+ 143:sc= 0.447 (180deg=-0.0579) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.0926 (180deg=-0.482) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0662) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.619 12.826 7.071 1.00 0.00 N ATOM 117 CA LEU A 9 2.945 12.293 7.380 1.00 0.00 C ATOM 118 C LEU A 9 3.608 13.130 8.470 1.00 0.00 C ATOM 119 O LEU A 9 2.927 13.815 9.235 1.00 0.00 O ATOM 120 CB LEU A 9 3.738 12.233 6.067 1.00 0.00 C ATOM 121 CG LEU A 9 3.521 11.012 5.187 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.393 11.076 3.940 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.850 9.762 5.996 1.00 0.00 C ATOM 0 HA LEU A 9 2.894 11.283 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.494 13.120 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.799 12.293 6.309 1.00 0.00 H new ATOM 0 HG LEU A 9 2.481 10.984 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.218 10.191 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.143 11.969 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.443 11.114 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.699 8.878 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.889 9.803 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.198 9.711 6.868 1.00 0.00 H new ATOM 135 N SER A 10 4.887 12.844 8.697 1.00 0.00 N ATOM 136 CA SER A 10 5.616 13.389 9.830 1.00 0.00 C ATOM 137 C SER A 10 6.970 13.934 9.378 1.00 0.00 C ATOM 138 O SER A 10 7.393 13.673 8.246 1.00 0.00 O ATOM 139 CB SER A 10 5.783 12.361 10.940 1.00 0.00 C ATOM 140 OG SER A 10 6.823 11.446 10.650 1.00 0.00 O ATOM 0 H SER A 10 5.442 12.230 8.101 1.00 0.00 H new ATOM 0 HA SER A 10 5.030 14.211 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.997 12.871 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.848 11.818 11.078 1.00 0.00 H new ATOM 0 HG SER A 10 7.089 10.982 11.471 1.00 0.00 H new ATOM 146 N GLY A 11 7.791 14.282 10.373 1.00 0.00 N ATOM 147 CA GLY A 11 9.101 14.857 10.102 1.00 0.00 C ATOM 148 C GLY A 11 9.968 13.869 9.325 1.00 0.00 C ATOM 149 O GLY A 11 10.117 13.999 8.107 1.00 0.00 O ATOM 0 H GLY A 11 7.570 14.175 11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.989 15.779 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.590 15.120 11.040 1.00 0.00 H new ATOM 153 N GLY A 12 10.213 12.723 9.959 1.00 0.00 N ATOM 154 CA GLY A 12 10.994 11.661 9.342 1.00 0.00 C ATOM 155 C GLY A 12 10.209 11.012 8.207 1.00 0.00 C ATOM 156 O GLY A 12 10.792 10.471 7.267 1.00 0.00 O ATOM 0 H GLY A 12 9.880 12.510 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.931 12.066 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.253 10.911 10.089 1.00 0.00 H new ATOM 160 N GLU A 13 8.892 10.958 8.377 1.00 0.00 N ATOM 161 CA GLU A 13 8.046 10.097 7.555 1.00 0.00 C ATOM 162 C GLU A 13 7.827 10.723 6.181 1.00 0.00 C ATOM 163 O GLU A 13 7.946 10.053 5.156 1.00 0.00 O ATOM 164 CB GLU A 13 6.720 9.914 8.304 1.00 0.00 C ATOM 165 CG GLU A 13 6.507 8.975 9.347 1.00 0.00 C ATOM 166 CD GLU A 13 5.085 8.693 9.733 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.125 8.908 9.014 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.987 8.303 10.917 1.00 0.00 O ATOM 0 H GLU A 13 8.386 11.501 9.077 1.00 0.00 H new ATOM 0 HA GLU A 13 8.518 9.128 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.472 10.890 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.972 9.694 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.971 8.033 9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.034 9.328 10.233 1.00 0.00 H new ATOM 175 N LEU A 14 7.637 12.038 6.175 1.00 0.00 N ATOM 176 CA LEU A 14 7.683 12.820 4.947 1.00 0.00 C ATOM 177 C LEU A 14 9.063 12.704 4.298 1.00 0.00 C ATOM 178 O LEU A 14 9.171 12.485 3.092 1.00 0.00 O ATOM 179 CB LEU A 14 7.293 14.265 5.292 1.00 0.00 C ATOM 180 CG LEU A 14 6.464 15.038 4.285 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.972 14.850 2.865 1.00 0.00 C ATOM 182 CD2 LEU A 14 5.012 14.582 4.396 1.00 0.00 C ATOM 0 H LEU A 14 7.448 12.587 7.014 1.00 0.00 H new ATOM 0 HA LEU A 14 6.975 12.443 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.744 14.247 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.211 14.825 5.469 1.00 0.00 H new ATOM 0 HG LEU A 14 6.544 16.101 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.349 15.421 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.002 15.200 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.930 13.793 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.403 15.130 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.949 13.514 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.646 14.776 5.404 1.00 0.00 H new ATOM 194 N ASP A 15 10.079 13.087 5.063 1.00 0.00 N ATOM 195 CA ASP A 15 11.436 13.197 4.549 1.00 0.00 C ATOM 196 C ASP A 15 11.922 11.837 4.044 1.00 0.00 C ATOM 197 O ASP A 15 12.636 11.765 3.043 1.00 0.00 O ATOM 198 CB ASP A 15 12.373 13.857 5.557 1.00 0.00 C ATOM 199 CG ASP A 15 11.882 15.208 6.039 1.00 0.00 C ATOM 200 OD1 ASP A 15 11.294 15.981 5.269 1.00 0.00 O ATOM 201 OD2 ASP A 15 12.081 15.472 7.245 1.00 0.00 O ATOM 0 H ASP A 15 9.985 13.328 6.050 1.00 0.00 H new ATOM 0 HA ASP A 15 11.437 13.867 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.496 13.196 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.357 13.977 5.103 1.00 0.00 H new ATOM 206 N LYS A 16 11.316 10.784 4.582 1.00 0.00 N ATOM 207 CA LYS A 16 11.376 9.460 3.974 1.00 0.00 C ATOM 208 C LYS A 16 10.503 9.414 2.724 1.00 0.00 C ATOM 209 O LYS A 16 10.893 8.872 1.691 1.00 0.00 O ATOM 210 CB LYS A 16 10.907 8.373 4.943 1.00 0.00 C ATOM 211 CG LYS A 16 11.551 7.008 4.708 1.00 0.00 C ATOM 212 CD LYS A 16 11.453 6.535 3.270 1.00 0.00 C ATOM 213 CE LYS A 16 12.639 6.816 2.444 1.00 0.00 C ATOM 214 NZ LYS A 16 12.408 6.455 1.023 1.00 0.00 N ATOM 0 H LYS A 16 10.774 10.823 5.445 1.00 0.00 H new ATOM 0 HA LYS A 16 12.417 9.271 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.121 8.693 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.825 8.271 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.601 7.056 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.075 6.273 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.273 5.460 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.585 7.005 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.892 7.874 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.493 6.258 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.256 6.681 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.208 5.437 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.598 6.994 0.655 1.00 0.00 H new ATOM 228 N TRP A 17 9.273 9.897 2.868 1.00 0.00 N ATOM 229 CA TRP A 17 8.216 9.629 1.904 1.00 0.00 C ATOM 230 C TRP A 17 8.606 10.151 0.525 1.00 0.00 C ATOM 231 O TRP A 17 8.054 9.737 -0.491 1.00 0.00 O ATOM 232 CB TRP A 17 6.875 10.194 2.376 1.00 0.00 C ATOM 233 CG TRP A 17 5.747 9.969 1.405 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.521 10.671 0.251 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.022 8.732 1.257 1.00 0.00 C ATOM 236 NE1 TRP A 17 4.664 9.978 -0.575 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.365 8.775 0.005 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.867 7.617 2.072 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.421 7.822 -0.361 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.989 6.630 1.670 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.266 6.735 0.484 1.00 0.00 C ATOM 0 H TRP A 17 8.984 10.482 3.652 1.00 0.00 H new ATOM 0 HA TRP A 17 8.089 8.549 1.824 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.616 9.739 3.332 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.983 11.264 2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.954 11.633 0.021 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.310 10.308 -1.473 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.419 7.525 2.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 2.835 7.924 -1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.860 5.755 2.290 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.570 5.953 0.218 1.00 0.00 H new ATOM 252 N GLU A 18 9.626 11.010 0.497 1.00 0.00 N ATOM 253 CA GLU A 18 9.852 11.860 -0.673 1.00 0.00 C ATOM 254 C GLU A 18 10.852 11.218 -1.623 1.00 0.00 C ATOM 255 O GLU A 18 11.467 11.902 -2.447 1.00 0.00 O ATOM 256 CB GLU A 18 10.359 13.213 -0.155 1.00 0.00 C ATOM 257 CG GLU A 18 10.136 14.457 -0.797 1.00 0.00 C ATOM 258 CD GLU A 18 11.328 15.146 -1.390 1.00 0.00 C ATOM 259 OE1 GLU A 18 12.157 15.490 -0.519 1.00 0.00 O ATOM 260 OE2 GLU A 18 11.459 15.389 -2.577 1.00 0.00 O ATOM 0 H GLU A 18 10.297 11.135 1.255 1.00 0.00 H new ATOM 0 HA GLU A 18 8.931 11.994 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.959 13.319 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.440 13.113 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.406 14.301 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.680 15.133 -0.074 1.00 0.00 H new ATOM 267 N LYS A 19 10.902 9.889 -1.613 1.00 0.00 N ATOM 268 CA LYS A 19 11.480 9.127 -2.719 1.00 0.00 C ATOM 269 C LYS A 19 11.467 7.637 -2.387 1.00 0.00 C ATOM 270 O LYS A 19 12.398 7.127 -1.753 1.00 0.00 O ATOM 271 CB LYS A 19 12.911 9.560 -3.031 1.00 0.00 C ATOM 272 CG LYS A 19 13.035 10.457 -4.264 1.00 0.00 C ATOM 273 CD LYS A 19 13.909 11.674 -4.029 1.00 0.00 C ATOM 274 CE LYS A 19 15.356 11.408 -4.032 1.00 0.00 C ATOM 275 NZ LYS A 19 16.058 12.214 -3.002 1.00 0.00 N ATOM 0 H LYS A 19 10.548 9.314 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 19 10.869 9.323 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.316 10.088 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.525 8.671 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.446 9.875 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.041 10.784 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.689 12.415 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.638 12.118 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.533 10.348 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.767 11.635 -5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.076 12.003 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.909 13.226 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.682 11.979 -2.061 1.00 0.00 H new ATOM 289 N ILE A 20 10.285 7.039 -2.530 1.00 0.00 N ATOM 290 CA ILE A 20 10.140 5.600 -2.332 1.00 0.00 C ATOM 291 C ILE A 20 10.137 4.878 -3.673 1.00 0.00 C ATOM 292 O ILE A 20 9.077 4.650 -4.265 1.00 0.00 O ATOM 293 CB ILE A 20 8.893 5.286 -1.439 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.198 5.743 0.023 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.428 3.814 -1.471 1.00 0.00 C ATOM 296 CD1 ILE A 20 7.976 5.693 0.967 1.00 0.00 C ATOM 0 H ILE A 20 9.423 7.524 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 20 11.001 5.217 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 20 8.055 5.844 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.986 5.111 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.585 6.762 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.560 3.693 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.161 3.539 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.235 3.170 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.271 6.025 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.193 6.347 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.601 4.671 1.022 1.00 0.00 H new ATOM 308 N ARG A 21 11.259 4.215 -3.966 1.00 0.00 N ATOM 309 CA ARG A 21 11.481 3.665 -5.297 1.00 0.00 C ATOM 310 C ARG A 21 10.424 2.614 -5.629 1.00 0.00 C ATOM 311 O ARG A 21 10.259 1.636 -4.903 1.00 0.00 O ATOM 312 CB ARG A 21 12.881 3.048 -5.427 1.00 0.00 C ATOM 313 CG ARG A 21 13.758 3.688 -6.492 1.00 0.00 C ATOM 314 CD ARG A 21 14.827 2.757 -6.957 1.00 0.00 C ATOM 315 NE ARG A 21 16.132 3.401 -7.004 1.00 0.00 N ATOM 316 CZ ARG A 21 17.097 3.163 -6.114 1.00 0.00 C ATOM 317 NH1 ARG A 21 16.863 2.474 -5.002 1.00 0.00 N ATOM 318 NH2 ARG A 21 18.311 3.678 -6.316 1.00 0.00 N ATOM 0 H ARG A 21 12.018 4.050 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 21 11.403 4.490 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.388 3.123 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.777 1.986 -5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.142 3.987 -7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.213 4.595 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.872 1.896 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.573 2.380 -7.948 1.00 0.00 H new ATOM 0 HE ARG A 21 16.318 4.067 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.928 2.113 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.619 2.306 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.493 4.246 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.057 3.504 -5.643 1.00 0.00 H new ATOM 464 N TYR A 30 8.235 7.034 -5.047 1.00 0.00 N ATOM 465 CA TYR A 30 7.104 7.814 -4.553 1.00 0.00 C ATOM 466 C TYR A 30 7.582 9.276 -4.328 1.00 0.00 C ATOM 467 O TYR A 30 8.529 9.427 -3.529 1.00 0.00 O ATOM 468 CB TYR A 30 6.531 7.266 -3.253 1.00 0.00 C ATOM 469 CG TYR A 30 6.053 5.835 -3.224 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.296 4.956 -4.283 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.338 5.334 -2.125 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.116 3.582 -4.134 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.042 3.975 -2.011 1.00 0.00 C ATOM 474 CZ TYR A 30 5.460 3.099 -3.010 1.00 0.00 C ATOM 475 OH TYR A 30 5.337 1.741 -2.874 1.00 0.00 O ATOM 0 HA TYR A 30 6.309 7.762 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.293 7.377 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.693 7.901 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.629 5.348 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.010 6.014 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.483 2.899 -4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.494 3.606 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 30 5.972 1.294 -3.471 1.00 0.00 H new ATOM 485 N LYS A 31 6.626 10.185 -4.467 1.00 0.00 N ATOM 486 CA LYS A 31 6.703 11.509 -3.870 1.00 0.00 C ATOM 487 C LYS A 31 5.403 11.839 -3.143 1.00 0.00 C ATOM 488 O LYS A 31 4.541 10.981 -2.970 1.00 0.00 O ATOM 489 CB LYS A 31 6.973 12.592 -4.918 1.00 0.00 C ATOM 490 CG LYS A 31 8.423 12.641 -5.398 1.00 0.00 C ATOM 491 CD LYS A 31 8.731 13.866 -6.239 1.00 0.00 C ATOM 492 CE LYS A 31 9.651 14.830 -5.613 1.00 0.00 C ATOM 493 NZ LYS A 31 11.026 14.280 -5.507 1.00 0.00 N ATOM 0 H LYS A 31 5.772 10.022 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 31 7.534 11.494 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.322 12.424 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.706 13.563 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.086 12.625 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.637 11.745 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.159 13.540 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.795 14.375 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.670 15.749 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.285 15.092 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.402 14.465 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.004 13.254 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.637 14.735 -6.215 1.00 0.00 H new ATOM 507 N LEU A 32 5.301 13.083 -2.677 1.00 0.00 N ATOM 508 CA LEU A 32 4.265 13.460 -1.729 1.00 0.00 C ATOM 509 C LEU A 32 3.181 14.295 -2.404 1.00 0.00 C ATOM 510 O LEU A 32 2.039 14.328 -1.942 1.00 0.00 O ATOM 511 CB LEU A 32 4.930 14.166 -0.537 1.00 0.00 C ATOM 512 CG LEU A 32 4.001 14.573 0.601 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.810 13.426 1.580 1.00 0.00 C ATOM 514 CD2 LEU A 32 4.592 15.789 1.301 1.00 0.00 C ATOM 0 H LEU A 32 5.926 13.844 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 32 3.751 12.576 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.700 13.508 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.435 15.059 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 32 3.019 14.824 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.143 13.740 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.375 12.573 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.775 13.141 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.938 16.092 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.576 15.538 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.686 16.609 0.589 1.00 0.00 H new ATOM 526 N LYS A 33 3.520 14.910 -3.541 1.00 0.00 N ATOM 527 CA LYS A 33 2.472 15.207 -4.549 1.00 0.00 C ATOM 528 C LYS A 33 1.907 13.896 -5.087 1.00 0.00 C ATOM 529 O LYS A 33 0.716 13.805 -5.407 1.00 0.00 O ATOM 530 CB LYS A 33 3.036 16.030 -5.698 1.00 0.00 C ATOM 531 CG LYS A 33 2.015 16.371 -6.786 1.00 0.00 C ATOM 532 CD LYS A 33 2.656 16.873 -8.066 1.00 0.00 C ATOM 533 CE LYS A 33 2.868 18.329 -8.122 1.00 0.00 C ATOM 534 NZ LYS A 33 3.401 18.850 -6.837 1.00 0.00 N ATOM 0 H LYS A 33 4.464 15.205 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 33 1.683 15.786 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.448 16.957 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.863 15.483 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.420 15.485 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.330 17.130 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.617 16.375 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.030 16.579 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.562 18.566 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.927 18.826 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.666 19.849 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.672 18.767 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.238 18.299 -6.560 1.00 0.00 H new ATOM 548 N HIS A 34 2.622 12.816 -4.765 1.00 0.00 N ATOM 549 CA HIS A 34 2.302 11.503 -5.354 1.00 0.00 C ATOM 550 C HIS A 34 1.679 10.624 -4.272 1.00 0.00 C ATOM 551 O HIS A 34 0.812 9.798 -4.578 1.00 0.00 O ATOM 552 CB HIS A 34 3.544 10.861 -5.988 1.00 0.00 C ATOM 553 CG HIS A 34 3.468 9.401 -6.302 1.00 0.00 C ATOM 554 ND1 HIS A 34 4.246 8.452 -5.672 1.00 0.00 N ATOM 555 CD2 HIS A 34 2.518 8.705 -6.976 1.00 0.00 C ATOM 556 CE1 HIS A 34 3.900 7.252 -6.117 1.00 0.00 C ATOM 557 NE2 HIS A 34 2.838 7.377 -6.879 1.00 0.00 N ATOM 0 H HIS A 34 3.409 12.816 -4.116 1.00 0.00 H new ATOM 0 HA HIS A 34 1.582 11.623 -6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.767 11.395 -6.912 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.388 11.020 -5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.667 9.122 -7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.407 6.326 -5.890 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.334 6.611 -7.325 1.00 0.00 H new ATOM 565 N ILE A 35 1.892 11.011 -3.014 1.00 0.00 N ATOM 566 CA ILE A 35 0.985 10.630 -1.930 1.00 0.00 C ATOM 567 C ILE A 35 -0.400 11.226 -2.196 1.00 0.00 C ATOM 568 O ILE A 35 -1.399 10.680 -1.719 1.00 0.00 O ATOM 569 CB ILE A 35 1.566 10.991 -0.532 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.101 9.916 0.503 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.266 12.417 -0.030 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.071 9.718 1.689 1.00 0.00 C ATOM 0 H ILE A 35 2.682 11.586 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 35 0.876 9.546 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 35 2.650 10.984 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.123 10.201 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.974 8.963 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.718 12.560 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.680 13.143 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.188 12.558 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.675 8.956 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.044 9.401 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.180 10.657 2.231 1.00 0.00 H new ATOM 584 N VAL A 36 -0.384 12.493 -2.606 1.00 0.00 N ATOM 585 CA VAL A 36 -1.618 13.276 -2.687 1.00 0.00 C ATOM 586 C VAL A 36 -2.518 12.652 -3.767 1.00 0.00 C ATOM 587 O VAL A 36 -3.625 12.202 -3.425 1.00 0.00 O ATOM 588 CB VAL A 36 -1.318 14.762 -2.905 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.566 15.591 -3.204 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.550 15.365 -1.734 1.00 0.00 C ATOM 0 H VAL A 36 0.459 12.996 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.161 13.241 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.686 14.802 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.284 16.634 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.044 15.216 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.262 15.515 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.358 16.420 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.140 15.266 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.398 14.840 -1.612 1.00 0.00 H new ATOM 600 N TRP A 37 -1.848 12.147 -4.803 1.00 0.00 N ATOM 601 CA TRP A 37 -2.458 11.239 -5.765 1.00 0.00 C ATOM 602 C TRP A 37 -2.984 9.992 -5.060 1.00 0.00 C ATOM 603 O TRP A 37 -4.100 9.543 -5.308 1.00 0.00 O ATOM 604 CB TRP A 37 -1.486 10.914 -6.899 1.00 0.00 C ATOM 605 CG TRP A 37 -1.945 9.874 -7.861 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.696 10.058 -8.990 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.833 8.450 -7.690 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.034 8.846 -9.544 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.522 7.846 -8.766 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.209 7.649 -6.742 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.616 6.469 -8.905 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.278 6.279 -6.894 1.00 0.00 C ATOM 613 CH2 TRP A 37 -1.930 5.697 -7.979 1.00 0.00 C ATOM 0 H TRP A 37 -0.869 12.358 -4.996 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.316 11.730 -6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.282 11.831 -7.452 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.542 10.588 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.983 11.020 -9.389 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.578 8.715 -10.397 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.683 8.087 -5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.196 6.019 -9.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.815 5.643 -6.154 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.901 4.624 -8.101 1.00 0.00 H new ATOM 624 N ALA A 38 -2.079 9.350 -4.325 1.00 0.00 N ATOM 625 CA ALA A 38 -2.340 8.040 -3.745 1.00 0.00 C ATOM 626 C ALA A 38 -3.533 8.124 -2.784 1.00 0.00 C ATOM 627 O ALA A 38 -4.482 7.351 -2.896 1.00 0.00 O ATOM 628 CB ALA A 38 -1.101 7.564 -2.982 1.00 0.00 C ATOM 0 H ALA A 38 -1.152 9.722 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.572 7.334 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.296 6.583 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.256 7.496 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.868 8.273 -2.188 1.00 0.00 H new ATOM 634 N SER A 39 -3.307 8.846 -1.689 1.00 0.00 N ATOM 635 CA SER A 39 -4.272 8.937 -0.610 1.00 0.00 C ATOM 636 C SER A 39 -5.596 9.510 -1.112 1.00 0.00 C ATOM 637 O SER A 39 -6.660 9.165 -0.598 1.00 0.00 O ATOM 638 CB SER A 39 -3.732 9.757 0.559 1.00 0.00 C ATOM 639 OG SER A 39 -2.519 9.218 1.050 1.00 0.00 O ATOM 0 H SER A 39 -2.452 9.380 -1.530 1.00 0.00 H new ATOM 0 HA SER A 39 -4.453 7.926 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.572 10.787 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.471 9.783 1.360 1.00 0.00 H new ATOM 0 HG SER A 39 -2.197 9.765 1.797 1.00 0.00 H new ATOM 645 N ARG A 40 -5.526 10.107 -2.303 1.00 0.00 N ATOM 646 CA ARG A 40 -6.709 10.665 -2.943 1.00 0.00 C ATOM 647 C ARG A 40 -7.444 9.595 -3.740 1.00 0.00 C ATOM 648 O ARG A 40 -8.622 9.330 -3.501 1.00 0.00 O ATOM 649 CB ARG A 40 -6.366 11.850 -3.855 1.00 0.00 C ATOM 650 CG ARG A 40 -7.573 12.573 -4.437 1.00 0.00 C ATOM 651 CD ARG A 40 -7.542 14.030 -4.125 1.00 0.00 C ATOM 652 NE ARG A 40 -8.345 14.357 -2.955 1.00 0.00 N ATOM 653 CZ ARG A 40 -9.519 14.987 -3.027 1.00 0.00 C ATOM 654 NH1 ARG A 40 -10.134 15.180 -4.190 1.00 0.00 N ATOM 655 NH2 ARG A 40 -10.116 15.382 -1.902 1.00 0.00 N ATOM 0 H ARG A 40 -4.665 10.214 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.358 11.032 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.768 12.565 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.743 11.492 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.596 12.432 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.488 12.134 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.511 14.342 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.908 14.592 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.993 14.091 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.709 14.843 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.031 15.665 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.675 15.202 -1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.014 15.865 -1.943 1.00 0.00 H new ATOM 669 N GLU A 41 -6.682 8.861 -4.547 1.00 0.00 N ATOM 670 CA GLU A 41 -7.230 7.784 -5.353 1.00 0.00 C ATOM 671 C GLU A 41 -7.856 6.714 -4.455 1.00 0.00 C ATOM 672 O GLU A 41 -8.971 6.258 -4.724 1.00 0.00 O ATOM 673 CB GLU A 41 -6.089 7.194 -6.191 1.00 0.00 C ATOM 674 CG GLU A 41 -6.265 6.510 -7.422 1.00 0.00 C ATOM 675 CD GLU A 41 -5.948 7.267 -8.677 1.00 0.00 C ATOM 676 OE1 GLU A 41 -6.510 8.383 -8.709 1.00 0.00 O ATOM 677 OE2 GLU A 41 -5.306 6.810 -9.608 1.00 0.00 O ATOM 0 H GLU A 41 -5.677 8.997 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.015 8.161 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.409 8.020 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.559 6.503 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.645 5.614 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.302 6.179 -7.480 1.00 0.00 H new ATOM 684 N LEU A 42 -7.272 6.563 -3.269 1.00 0.00 N ATOM 685 CA LEU A 42 -7.865 5.751 -2.219 1.00 0.00 C ATOM 686 C LEU A 42 -9.231 6.320 -1.820 1.00 0.00 C ATOM 687 O LEU A 42 -10.234 5.605 -1.817 1.00 0.00 O ATOM 688 CB LEU A 42 -6.883 5.746 -1.021 1.00 0.00 C ATOM 689 CG LEU A 42 -7.420 5.078 0.237 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.652 3.803 0.538 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.339 6.043 1.408 1.00 0.00 C ATOM 0 H LEU A 42 -6.384 6.996 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.031 4.730 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.966 5.239 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.615 6.776 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.464 4.810 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.052 3.342 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.753 3.111 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.599 4.040 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.725 5.559 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.301 6.333 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.933 6.930 1.190 1.00 0.00 H new ATOM 703 N GLU A 43 -9.174 7.493 -1.194 1.00 0.00 N ATOM 704 CA GLU A 43 -10.330 8.080 -0.531 1.00 0.00 C ATOM 705 C GLU A 43 -11.463 8.290 -1.540 1.00 0.00 C ATOM 706 O GLU A 43 -12.620 7.968 -1.240 1.00 0.00 O ATOM 707 CB GLU A 43 -9.873 9.428 0.055 1.00 0.00 C ATOM 708 CG GLU A 43 -10.752 10.464 0.462 1.00 0.00 C ATOM 709 CD GLU A 43 -10.271 11.874 0.310 1.00 0.00 C ATOM 710 OE1 GLU A 43 -9.110 12.030 0.748 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.915 12.764 -0.218 1.00 0.00 O ATOM 0 H GLU A 43 -8.328 8.059 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.706 7.426 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.264 9.188 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.207 9.870 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.678 10.361 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.999 10.303 1.511 1.00 0.00 H new ATOM 718 N ARG A 44 -11.055 8.315 -2.816 1.00 0.00 N ATOM 719 CA ARG A 44 -11.998 8.509 -3.905 1.00 0.00 C ATOM 720 C ARG A 44 -12.344 7.187 -4.579 1.00 0.00 C ATOM 721 O ARG A 44 -13.353 7.087 -5.283 1.00 0.00 O ATOM 722 CB ARG A 44 -11.456 9.497 -4.952 1.00 0.00 C ATOM 723 CG ARG A 44 -12.275 10.769 -5.103 1.00 0.00 C ATOM 724 CD ARG A 44 -12.113 11.373 -6.457 1.00 0.00 C ATOM 725 NE ARG A 44 -11.177 12.490 -6.451 1.00 0.00 N ATOM 726 CZ ARG A 44 -11.250 13.509 -7.309 1.00 0.00 C ATOM 727 NH1 ARG A 44 -12.303 13.675 -8.104 1.00 0.00 N ATOM 728 NH2 ARG A 44 -10.268 14.411 -7.332 1.00 0.00 N ATOM 0 H ARG A 44 -10.084 8.204 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.904 8.929 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.435 9.767 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.409 8.994 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.328 10.547 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.970 11.490 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.763 10.611 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.083 11.715 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.430 12.493 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.080 13.015 -8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.334 14.463 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.474 14.317 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.311 15.195 -7.983 1.00 0.00 H new ATOM 742 N PHE A 45 -11.593 6.144 -4.241 1.00 0.00 N ATOM 743 CA PHE A 45 -12.053 4.769 -4.441 1.00 0.00 C ATOM 744 C PHE A 45 -13.314 4.519 -3.620 1.00 0.00 C ATOM 745 O PHE A 45 -14.408 4.390 -4.160 1.00 0.00 O ATOM 746 CB PHE A 45 -10.996 3.699 -4.064 1.00 0.00 C ATOM 747 CG PHE A 45 -10.397 3.031 -5.267 1.00 0.00 C ATOM 748 CD1 PHE A 45 -11.036 2.011 -5.973 1.00 0.00 C ATOM 749 CD2 PHE A 45 -9.110 3.423 -5.643 1.00 0.00 C ATOM 750 CE1 PHE A 45 -10.429 1.434 -7.092 1.00 0.00 C ATOM 751 CE2 PHE A 45 -8.505 2.891 -6.771 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.132 1.845 -7.453 1.00 0.00 C ATOM 0 H PHE A 45 -10.664 6.222 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.250 4.670 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.203 4.167 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.459 2.945 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.007 1.665 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.579 4.150 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.947 0.684 -7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.560 3.281 -7.119 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.618 1.348 -8.263 1.00 0.00 H new ATOM 762 N ALA A 46 -13.163 4.635 -2.298 1.00 0.00 N ATOM 763 CA ALA A 46 -14.206 4.157 -1.390 1.00 0.00 C ATOM 764 C ALA A 46 -13.873 4.542 0.051 1.00 0.00 C ATOM 765 O ALA A 46 -14.359 3.908 0.992 1.00 0.00 O ATOM 766 CB ALA A 46 -14.347 2.642 -1.524 1.00 0.00 C ATOM 0 H ALA A 46 -12.349 5.046 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.154 4.624 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.124 2.288 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.617 2.391 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.400 2.165 -1.271 1.00 0.00 H new ATOM 772 N VAL A 47 -12.872 5.404 0.205 1.00 0.00 N ATOM 773 CA VAL A 47 -12.096 5.472 1.441 1.00 0.00 C ATOM 774 C VAL A 47 -12.180 6.861 2.056 1.00 0.00 C ATOM 775 O VAL A 47 -12.527 7.836 1.393 1.00 0.00 O ATOM 776 CB VAL A 47 -10.654 4.985 1.195 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.862 4.839 2.489 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.626 3.693 0.393 1.00 0.00 C ATOM 0 H VAL A 47 -12.578 6.067 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.525 4.795 2.180 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.165 5.759 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.854 4.494 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.810 5.803 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.355 4.115 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.593 3.382 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.162 2.915 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.103 3.854 -0.574 1.00 0.00 H new ATOM 788 N ASN A 48 -11.940 6.925 3.363 1.00 0.00 N ATOM 789 CA ASN A 48 -11.760 8.194 4.052 1.00 0.00 C ATOM 790 C ASN A 48 -10.249 8.448 4.264 1.00 0.00 C ATOM 791 O ASN A 48 -9.437 7.506 4.275 1.00 0.00 O ATOM 792 CB ASN A 48 -12.596 8.285 5.315 1.00 0.00 C ATOM 793 CG ASN A 48 -12.291 9.485 6.190 1.00 0.00 C ATOM 794 OD1 ASN A 48 -11.160 9.640 6.679 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.300 10.323 6.419 1.00 0.00 N ATOM 0 H ASN A 48 -11.866 6.106 3.967 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.139 9.006 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.649 8.314 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.446 7.378 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.162 11.136 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.211 10.152 5.994 1.00 0.00 H new ATOM 802 N PRO A 49 -9.865 9.723 4.029 1.00 0.00 N ATOM 803 CA PRO A 49 -8.443 10.150 4.065 1.00 0.00 C ATOM 804 C PRO A 49 -7.786 9.981 5.430 1.00 0.00 C ATOM 805 O PRO A 49 -6.631 9.559 5.526 1.00 0.00 O ATOM 806 CB PRO A 49 -8.426 11.595 3.574 1.00 0.00 C ATOM 807 CG PRO A 49 -9.832 12.119 3.585 1.00 0.00 C ATOM 808 CD PRO A 49 -10.727 10.939 3.927 1.00 0.00 C ATOM 0 HA PRO A 49 -7.840 9.509 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.790 12.205 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.010 11.648 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.943 12.917 4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.097 12.539 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.249 11.116 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.489 10.803 3.160 1.00 0.00 H new ATOM 816 N GLY A 50 -8.439 10.540 6.444 1.00 0.00 N ATOM 817 CA GLY A 50 -8.007 10.358 7.822 1.00 0.00 C ATOM 818 C GLY A 50 -8.062 8.886 8.210 1.00 0.00 C ATOM 819 O GLY A 50 -7.265 8.401 9.021 1.00 0.00 O ATOM 0 H GLY A 50 -9.269 11.123 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.991 10.734 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.644 10.940 8.489 1.00 0.00 H new ATOM 823 N LEU A 51 -8.916 8.157 7.506 1.00 0.00 N ATOM 824 CA LEU A 51 -9.017 6.707 7.662 1.00 0.00 C ATOM 825 C LEU A 51 -7.673 6.058 7.308 1.00 0.00 C ATOM 826 O LEU A 51 -6.948 5.667 8.252 1.00 0.00 O ATOM 827 CB LEU A 51 -10.182 6.274 6.750 1.00 0.00 C ATOM 828 CG LEU A 51 -11.119 5.207 7.259 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.282 4.982 6.299 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.346 3.907 7.450 1.00 0.00 C ATOM 0 H LEU A 51 -9.556 8.547 6.814 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.226 6.390 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.776 7.160 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.758 5.925 5.809 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.533 5.539 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.937 4.207 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.844 5.909 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.897 4.669 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.020 3.134 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.920 3.594 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.544 4.063 8.172 1.00 0.00 H new ATOM 842 N LEU A 52 -7.088 6.616 6.224 1.00 0.00 N ATOM 843 CA LEU A 52 -5.809 6.079 5.745 1.00 0.00 C ATOM 844 C LEU A 52 -4.648 6.865 6.326 1.00 0.00 C ATOM 845 O LEU A 52 -3.549 6.316 6.496 1.00 0.00 O ATOM 846 CB LEU A 52 -5.883 5.976 4.228 1.00 0.00 C ATOM 847 CG LEU A 52 -4.819 6.601 3.357 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.795 8.117 3.502 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.457 6.015 3.715 1.00 0.00 C ATOM 0 H LEU A 52 -7.464 7.400 5.691 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.617 5.067 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.917 4.915 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.838 6.405 3.924 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.053 6.375 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.017 8.532 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.762 8.526 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.588 8.380 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.690 6.467 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.236 6.222 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.471 4.937 3.553 1.00 0.00 H new ATOM 861 N GLU A 53 -4.956 8.031 6.887 1.00 0.00 N ATOM 862 CA GLU A 53 -3.976 8.836 7.596 1.00 0.00 C ATOM 863 C GLU A 53 -3.418 8.050 8.787 1.00 0.00 C ATOM 864 O GLU A 53 -2.206 7.960 8.962 1.00 0.00 O ATOM 865 CB GLU A 53 -4.668 10.118 8.068 1.00 0.00 C ATOM 866 CG GLU A 53 -4.129 11.049 8.992 1.00 0.00 C ATOM 867 CD GLU A 53 -2.697 10.895 9.396 1.00 0.00 C ATOM 868 OE1 GLU A 53 -1.947 10.652 8.427 1.00 0.00 O ATOM 869 OE2 GLU A 53 -2.295 10.988 10.546 1.00 0.00 O ATOM 0 H GLU A 53 -5.890 8.440 6.861 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.141 9.088 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.887 10.688 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.624 9.803 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.250 12.046 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.736 11.010 9.896 1.00 0.00 H new ATOM 876 N THR A 54 -4.307 7.243 9.366 1.00 0.00 N ATOM 877 CA THR A 54 -3.923 6.375 10.477 1.00 0.00 C ATOM 878 C THR A 54 -3.533 5.001 9.962 1.00 0.00 C ATOM 879 O THR A 54 -4.093 4.513 8.975 1.00 0.00 O ATOM 880 CB THR A 54 -5.079 6.302 11.558 1.00 0.00 C ATOM 881 OG1 THR A 54 -6.073 5.362 11.067 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.681 7.675 11.885 1.00 0.00 C ATOM 0 H THR A 54 -5.286 7.173 9.088 1.00 0.00 H new ATOM 0 HA THR A 54 -3.050 6.799 10.972 1.00 0.00 H new ATOM 0 HB THR A 54 -4.671 5.956 12.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.292 5.574 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.467 7.559 12.631 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.902 8.330 12.277 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.102 8.113 10.980 1.00 0.00 H new ATOM 890 N SER A 55 -2.746 4.283 10.760 1.00 0.00 N ATOM 891 CA SER A 55 -2.457 2.881 10.538 1.00 0.00 C ATOM 892 C SER A 55 -3.741 2.061 10.441 1.00 0.00 C ATOM 893 O SER A 55 -4.003 1.433 9.404 1.00 0.00 O ATOM 894 CB SER A 55 -1.541 2.321 11.627 1.00 0.00 C ATOM 895 OG SER A 55 -2.260 2.060 12.817 1.00 0.00 O ATOM 0 H SER A 55 -2.289 4.669 11.586 1.00 0.00 H new ATOM 0 HA SER A 55 -1.932 2.804 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.072 1.403 11.274 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.739 3.031 11.832 1.00 0.00 H new ATOM 0 HG SER A 55 -1.651 1.701 13.495 1.00 0.00 H new ATOM 901 N GLU A 56 -4.691 2.401 11.314 1.00 0.00 N ATOM 902 CA GLU A 56 -5.865 1.558 11.494 1.00 0.00 C ATOM 903 C GLU A 56 -6.682 1.501 10.207 1.00 0.00 C ATOM 904 O GLU A 56 -6.811 0.437 9.589 1.00 0.00 O ATOM 905 CB GLU A 56 -6.686 2.152 12.647 1.00 0.00 C ATOM 906 CG GLU A 56 -7.419 1.389 13.591 1.00 0.00 C ATOM 907 CD GLU A 56 -8.768 1.909 13.992 1.00 0.00 C ATOM 908 OE1 GLU A 56 -8.955 2.996 14.512 1.00 0.00 O ATOM 909 OE2 GLU A 56 -9.671 1.060 13.823 1.00 0.00 O ATOM 0 H GLU A 56 -4.669 3.239 11.896 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.574 0.535 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.994 2.763 13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.403 2.832 12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.550 0.386 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.813 1.292 14.492 1.00 0.00 H new ATOM 916 N GLY A 57 -6.921 2.684 9.642 1.00 0.00 N ATOM 917 CA GLY A 57 -7.747 2.800 8.450 1.00 0.00 C ATOM 918 C GLY A 57 -6.932 2.452 7.204 1.00 0.00 C ATOM 919 O GLY A 57 -7.440 1.809 6.286 1.00 0.00 O ATOM 0 H GLY A 57 -6.554 3.569 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.606 2.134 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.137 3.815 8.366 1.00 0.00 H new ATOM 923 N CYS A 58 -5.616 2.609 7.340 1.00 0.00 N ATOM 924 CA CYS A 58 -4.670 2.093 6.365 1.00 0.00 C ATOM 925 C CYS A 58 -4.695 0.566 6.352 1.00 0.00 C ATOM 926 O CYS A 58 -4.550 -0.056 5.303 1.00 0.00 O ATOM 927 CB CYS A 58 -3.261 2.624 6.621 1.00 0.00 C ATOM 928 SG CYS A 58 -2.263 2.844 5.128 1.00 0.00 S ATOM 0 H CYS A 58 -5.183 3.095 8.125 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.973 2.446 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.335 3.581 7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.743 1.938 7.292 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.176 3.492 5.424 1.00 0.00 H new ATOM 933 N ARG A 59 -5.129 0.008 7.482 1.00 0.00 N ATOM 934 CA ARG A 59 -5.341 -1.425 7.600 1.00 0.00 C ATOM 935 C ARG A 59 -6.730 -1.800 7.089 1.00 0.00 C ATOM 936 O ARG A 59 -6.980 -2.946 6.725 1.00 0.00 O ATOM 937 CB ARG A 59 -5.179 -1.918 9.044 1.00 0.00 C ATOM 938 CG ARG A 59 -4.997 -3.425 9.178 1.00 0.00 C ATOM 939 CD ARG A 59 -6.241 -4.087 9.666 1.00 0.00 C ATOM 940 NE ARG A 59 -5.986 -4.976 10.789 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.056 -4.585 12.064 1.00 0.00 C ATOM 942 NH1 ARG A 59 -6.530 -3.390 12.400 1.00 0.00 N ATOM 943 NH2 ARG A 59 -5.684 -5.432 13.025 1.00 0.00 N ATOM 0 H ARG A 59 -5.340 0.534 8.330 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.578 -1.911 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.319 -1.419 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.056 -1.618 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.715 -3.845 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.179 -3.633 9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.963 -3.326 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.693 -4.653 8.852 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.741 -5.947 10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.851 -2.747 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.573 -3.116 13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.351 -6.365 12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.732 -5.147 14.003 1.00 0.00 H new ATOM 957 N GLN A 60 -7.676 -0.886 7.326 1.00 0.00 N ATOM 958 CA GLN A 60 -9.029 -1.063 6.807 1.00 0.00 C ATOM 959 C GLN A 60 -8.989 -1.056 5.271 1.00 0.00 C ATOM 960 O GLN A 60 -9.505 -2.010 4.661 1.00 0.00 O ATOM 961 CB GLN A 60 -10.008 -0.016 7.331 1.00 0.00 C ATOM 962 CG GLN A 60 -11.466 -0.356 7.078 1.00 0.00 C ATOM 963 CD GLN A 60 -11.881 -1.670 7.691 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.594 -2.472 7.093 1.00 0.00 O ATOM 965 NE2 GLN A 60 -11.428 -1.887 8.923 1.00 0.00 N ATOM 0 H GLN A 60 -7.531 -0.032 7.864 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.398 -2.025 7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.854 0.106 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.783 0.943 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.094 0.440 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.644 -0.391 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.838 -1.191 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.670 -2.749 9.411 1.00 0.00 H new ATOM 974 N ILE A 61 -7.945 -0.388 4.765 1.00 0.00 N ATOM 975 CA ILE A 61 -7.666 -0.394 3.338 1.00 0.00 C ATOM 976 C ILE A 61 -6.830 -1.602 2.953 1.00 0.00 C ATOM 977 O ILE A 61 -7.323 -2.535 2.315 1.00 0.00 O ATOM 978 CB ILE A 61 -7.060 0.967 2.861 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.017 2.142 3.162 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.608 0.931 1.380 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.524 1.893 2.936 1.00 0.00 C ATOM 0 H ILE A 61 -7.289 0.157 5.324 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.610 -0.494 2.803 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.152 1.136 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.874 2.437 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.717 2.990 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.196 1.901 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.846 0.162 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.464 0.705 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.083 2.795 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.697 1.634 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.857 1.074 3.573 1.00 0.00 H new ATOM 993 N LEU A 62 -5.625 -1.681 3.511 1.00 0.00 N ATOM 994 CA LEU A 62 -4.634 -2.646 3.058 1.00 0.00 C ATOM 995 C LEU A 62 -5.174 -4.076 3.236 1.00 0.00 C ATOM 996 O LEU A 62 -4.987 -4.900 2.326 1.00 0.00 O ATOM 997 CB LEU A 62 -3.333 -2.387 3.826 1.00 0.00 C ATOM 998 CG LEU A 62 -2.030 -2.791 3.160 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.862 -2.099 1.815 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.878 -2.420 4.090 1.00 0.00 C ATOM 0 H LEU A 62 -5.313 -1.086 4.279 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.424 -2.534 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.280 -1.321 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.398 -2.908 4.781 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.038 -3.865 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.920 -2.408 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.688 -2.374 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.858 -1.019 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.068 -2.703 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.887 -1.345 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.991 -2.947 5.037 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.240 -4.151 4.038 1.00 0.00 N ATOM 1013 CA GLY A 63 -7.022 -5.369 4.169 1.00 0.00 C ATOM 1014 C GLY A 63 -7.988 -5.524 3.001 1.00 0.00 C ATOM 1015 O GLY A 63 -7.973 -6.531 2.295 1.00 0.00 O ATOM 0 H GLY A 63 -6.577 -3.374 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.356 -6.231 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.578 -5.350 5.106 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.873 -4.545 2.857 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.885 -4.559 1.815 1.00 0.00 C ATOM 1021 C GLN A 64 -9.236 -4.584 0.430 1.00 0.00 C ATOM 1022 O GLN A 64 -9.938 -4.709 -0.579 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.868 -3.388 1.929 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.304 -3.767 1.632 1.00 0.00 C ATOM 1025 CD GLN A 64 -12.803 -3.207 0.320 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -12.826 -1.997 0.100 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.027 -4.114 -0.629 1.00 0.00 N ATOM 0 H GLN A 64 -8.907 -3.722 3.459 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.464 -5.472 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.812 -2.975 2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.560 -2.599 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.391 -4.853 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.943 -3.410 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.998 -5.108 -0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.228 -3.815 -1.583 1.00 0.00 H new ATOM 1036 N LEU A 65 -7.963 -4.212 0.378 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.350 -3.705 -0.850 1.00 0.00 C ATOM 1038 C LEU A 65 -6.492 -4.794 -1.489 1.00 0.00 C ATOM 1039 O LEU A 65 -6.650 -5.090 -2.676 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.568 -2.433 -0.489 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.210 -1.492 -1.628 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.432 -0.730 -2.116 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.143 -0.520 -1.135 1.00 0.00 C ATOM 0 H LEU A 65 -7.329 -4.251 1.176 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.096 -3.440 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.152 -1.873 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.644 -2.733 0.005 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.830 -2.073 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.145 -0.065 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.183 -1.436 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.845 -0.142 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.874 0.164 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.532 0.049 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.260 -1.077 -0.822 1.00 0.00 H new ATOM 1055 N GLN A 66 -5.918 -5.633 -0.619 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.047 -6.708 -1.064 1.00 0.00 C ATOM 1057 C GLN A 66 -5.840 -7.674 -1.984 1.00 0.00 C ATOM 1058 O GLN A 66 -5.643 -7.651 -3.218 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.408 -7.483 0.082 1.00 0.00 C ATOM 1060 CG GLN A 66 -2.897 -7.358 0.143 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.194 -8.693 0.170 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.247 -8.945 -0.570 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.715 -9.590 1.004 1.00 0.00 N ATOM 0 H GLN A 66 -6.045 -5.582 0.392 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.229 -6.245 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.830 -7.133 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.672 -8.536 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.550 -6.789 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.621 -6.790 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.502 -9.335 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.327 -10.532 1.047 1.00 0.00 H new ATOM 1072 N PRO A 67 -6.982 -8.152 -1.447 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.068 -8.754 -2.267 1.00 0.00 C ATOM 1074 C PRO A 67 -8.484 -7.885 -3.450 1.00 0.00 C ATOM 1075 O PRO A 67 -8.475 -8.317 -4.602 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.215 -9.054 -1.315 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.735 -8.847 0.093 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.439 -8.059 -0.029 1.00 0.00 C ATOM 0 HA PRO A 67 -7.717 -9.671 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.062 -8.401 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.561 -10.079 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.472 -8.301 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.569 -9.800 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.596 -7.018 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.682 -8.462 0.644 1.00 0.00 H new ATOM 1086 N SER A 68 -8.788 -6.626 -3.143 1.00 0.00 N ATOM 1087 CA SER A 68 -9.432 -5.740 -4.097 1.00 0.00 C ATOM 1088 C SER A 68 -8.496 -5.389 -5.244 1.00 0.00 C ATOM 1089 O SER A 68 -8.896 -4.725 -6.201 1.00 0.00 O ATOM 1090 CB SER A 68 -9.971 -4.485 -3.418 1.00 0.00 C ATOM 1091 OG SER A 68 -10.609 -3.629 -4.349 1.00 0.00 O ATOM 0 H SER A 68 -8.596 -6.200 -2.237 1.00 0.00 H new ATOM 0 HA SER A 68 -10.283 -6.275 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.677 -4.767 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.154 -3.952 -2.932 1.00 0.00 H new ATOM 0 HG SER A 68 -10.932 -4.156 -5.110 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.241 -5.795 -5.107 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.228 -5.513 -6.114 1.00 0.00 C ATOM 1099 C LEU A 69 -6.454 -6.392 -7.346 1.00 0.00 C ATOM 1100 O LEU A 69 -6.628 -5.851 -8.448 1.00 0.00 O ATOM 1101 CB LEU A 69 -4.848 -5.692 -5.464 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.475 -4.681 -4.390 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.160 -5.043 -3.718 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.378 -3.302 -5.034 1.00 0.00 C ATOM 0 H LEU A 69 -6.899 -6.323 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.292 -4.486 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.802 -6.689 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.092 -5.653 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.244 -4.683 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.924 -4.300 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.247 -6.025 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.365 -5.064 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.111 -2.565 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.614 -3.316 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.339 -3.038 -5.475 1.00 0.00 H new ATOM 1116 N GLN A 70 -6.903 -7.617 -7.079 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.374 -8.511 -8.126 1.00 0.00 C ATOM 1118 C GLN A 70 -8.600 -7.928 -8.818 1.00 0.00 C ATOM 1119 O GLN A 70 -8.958 -8.335 -9.922 1.00 0.00 O ATOM 1120 CB GLN A 70 -7.631 -9.934 -7.632 1.00 0.00 C ATOM 1121 CG GLN A 70 -8.852 -10.077 -6.745 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.817 -11.131 -7.230 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.247 -12.011 -6.488 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.091 -11.089 -8.532 1.00 0.00 N ATOM 0 H GLN A 70 -6.949 -8.012 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.569 -8.593 -8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.745 -10.590 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.755 -10.279 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.531 -10.325 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.368 -9.118 -6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.711 -10.339 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.681 -11.807 -8.953 1.00 0.00 H new ATOM 1133 N THR A 71 -9.185 -6.909 -8.192 1.00 0.00 N ATOM 1134 CA THR A 71 -10.486 -6.406 -8.614 1.00 0.00 C ATOM 1135 C THR A 71 -10.390 -4.956 -9.068 1.00 0.00 C ATOM 1136 O THR A 71 -11.347 -4.400 -9.610 1.00 0.00 O ATOM 1137 CB THR A 71 -11.578 -6.586 -7.482 1.00 0.00 C ATOM 1138 OG1 THR A 71 -11.350 -5.523 -6.506 1.00 0.00 O ATOM 1139 CG2 THR A 71 -11.563 -7.971 -6.828 1.00 0.00 C ATOM 0 H THR A 71 -8.779 -6.419 -7.395 1.00 0.00 H new ATOM 0 HA THR A 71 -10.808 -7.003 -9.468 1.00 0.00 H new ATOM 0 HB THR A 71 -12.572 -6.513 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.457 -5.141 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.338 -8.020 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.751 -8.733 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.589 -8.147 -6.371 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.275 -4.318 -8.737 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.173 -2.862 -8.791 1.00 0.00 C ATOM 1149 C GLY A 72 -8.381 -2.438 -10.022 1.00 0.00 C ATOM 1150 O GLY A 72 -8.944 -1.999 -11.021 1.00 0.00 O ATOM 0 H GLY A 72 -8.424 -4.787 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.169 -2.421 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.686 -2.490 -7.890 1.00 0.00 H new ATOM 1154 N SER A 73 -7.062 -2.588 -9.930 1.00 0.00 N ATOM 1155 CA SER A 73 -6.185 -2.394 -11.076 1.00 0.00 C ATOM 1156 C SER A 73 -4.730 -2.649 -10.668 1.00 0.00 C ATOM 1157 O SER A 73 -4.390 -2.528 -9.489 1.00 0.00 O ATOM 1158 CB SER A 73 -6.341 -1.005 -11.681 1.00 0.00 C ATOM 1159 OG SER A 73 -6.224 0.004 -10.695 1.00 0.00 O ATOM 0 H SER A 73 -6.578 -2.844 -9.069 1.00 0.00 H new ATOM 0 HA SER A 73 -6.472 -3.112 -11.845 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.583 -0.854 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.312 -0.927 -12.171 1.00 0.00 H new ATOM 0 HG SER A 73 -7.036 0.021 -10.147 1.00 0.00 H new ATOM 1165 N GLU A 74 -3.859 -2.708 -11.671 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.429 -2.486 -11.467 1.00 0.00 C ATOM 1167 C GLU A 74 -2.195 -1.070 -10.942 1.00 0.00 C ATOM 1168 O GLU A 74 -1.279 -0.843 -10.148 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.734 -2.702 -12.814 1.00 0.00 C ATOM 1170 CG GLU A 74 -0.347 -2.510 -13.049 1.00 0.00 C ATOM 1171 CD GLU A 74 0.085 -1.154 -13.520 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.518 -0.491 -14.346 1.00 0.00 O ATOM 1173 OE2 GLU A 74 1.110 -0.752 -12.926 1.00 0.00 O ATOM 0 H GLU A 74 -4.119 -2.908 -12.637 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.023 -3.178 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.948 -3.732 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.251 -2.059 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.187 -2.733 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.025 -3.243 -13.788 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.239 -0.250 -11.084 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.192 1.128 -10.616 1.00 0.00 C ATOM 1182 C GLU A 75 -3.722 1.228 -9.187 1.00 0.00 C ATOM 1183 O GLU A 75 -3.383 2.162 -8.460 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.025 1.977 -11.583 1.00 0.00 C ATOM 1185 CG GLU A 75 -3.503 2.642 -12.726 1.00 0.00 C ATOM 1186 CD GLU A 75 -4.180 3.912 -13.146 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -5.406 3.755 -13.330 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -3.611 4.982 -13.271 1.00 0.00 O ATOM 0 H GLU A 75 -4.122 -0.519 -11.518 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.165 1.492 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.819 1.326 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.499 2.748 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.453 2.865 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.536 1.948 -13.566 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.383 0.162 -8.740 1.00 0.00 N ATOM 1196 CA LEU A 76 -4.560 -0.088 -7.313 1.00 0.00 C ATOM 1197 C LEU A 76 -3.280 -0.680 -6.723 1.00 0.00 C ATOM 1198 O LEU A 76 -3.161 -0.797 -5.499 1.00 0.00 O ATOM 1199 CB LEU A 76 -5.795 -0.972 -7.119 1.00 0.00 C ATOM 1200 CG LEU A 76 -6.796 -0.602 -6.046 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -7.772 -1.749 -5.791 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.077 -0.253 -4.748 1.00 0.00 C ATOM 0 H LEU A 76 -4.804 -0.542 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.738 0.840 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.328 -1.007 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.447 -1.984 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.355 0.266 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.481 -1.458 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.312 -1.978 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.220 -2.631 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.810 0.011 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.497 -1.112 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.410 0.592 -4.918 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.551 -1.399 -7.578 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.260 -1.948 -7.184 1.00 0.00 C ATOM 1216 C ARG A 77 -0.287 -0.814 -6.851 1.00 0.00 C ATOM 1217 O ARG A 77 0.417 -0.879 -5.841 1.00 0.00 O ATOM 1218 CB ARG A 77 -0.659 -2.839 -8.277 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.330 -4.257 -7.831 1.00 0.00 C ATOM 1220 CD ARG A 77 0.388 -5.016 -8.895 1.00 0.00 C ATOM 1221 NE ARG A 77 1.831 -4.830 -8.822 1.00 0.00 N ATOM 1222 CZ ARG A 77 2.658 -5.126 -9.826 1.00 0.00 C ATOM 1223 NH1 ARG A 77 2.241 -5.798 -10.895 1.00 0.00 N ATOM 1224 NH2 ARG A 77 3.945 -4.790 -9.730 1.00 0.00 N ATOM 0 H ARG A 77 -2.831 -1.611 -8.536 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.423 -2.566 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.358 -2.888 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.251 -2.369 -8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.284 -4.222 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.250 -4.779 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.155 -6.077 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.030 -4.694 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 77 2.229 -4.455 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.269 -6.100 -10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.893 -6.012 -11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.287 -4.312 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.588 -5.011 -10.491 1.00 0.00 H new ATOM 1238 N SER A 78 -0.510 0.322 -7.505 1.00 0.00 N ATOM 1239 CA SER A 78 0.095 1.583 -7.104 1.00 0.00 C ATOM 1240 C SER A 78 -0.469 2.043 -5.764 1.00 0.00 C ATOM 1241 O SER A 78 0.249 2.099 -4.765 1.00 0.00 O ATOM 1242 CB SER A 78 -0.082 2.654 -8.174 1.00 0.00 C ATOM 1243 OG SER A 78 1.167 3.153 -8.620 1.00 0.00 O ATOM 0 H SER A 78 -1.113 0.392 -8.325 1.00 0.00 H new ATOM 0 HA SER A 78 1.166 1.420 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.632 2.239 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.681 3.473 -7.775 1.00 0.00 H new ATOM 0 HG SER A 78 1.020 3.837 -9.307 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.796 2.119 -5.705 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.484 2.584 -4.509 1.00 0.00 C ATOM 1251 C LEU A 79 -2.180 1.663 -3.330 1.00 0.00 C ATOM 1252 O LEU A 79 -2.135 2.105 -2.182 1.00 0.00 O ATOM 1253 CB LEU A 79 -3.980 2.696 -4.838 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.587 4.087 -4.866 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -3.725 5.054 -5.664 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -5.980 3.998 -5.483 1.00 0.00 C ATOM 0 H LEU A 79 -2.415 1.864 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.133 3.570 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.146 2.237 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.531 2.103 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.647 4.467 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.189 6.040 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.736 5.118 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.632 4.697 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.430 4.990 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.904 3.606 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.602 3.334 -4.883 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.724 0.458 -3.662 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.449 -0.555 -2.652 1.00 0.00 C ATOM 1270 C TYR A 80 -0.038 -0.382 -2.100 1.00 0.00 C ATOM 1271 O TYR A 80 0.240 -0.756 -0.960 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.648 -1.976 -3.222 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.321 -3.088 -2.254 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.197 -3.436 -1.222 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.101 -3.758 -2.333 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -1.895 -4.471 -0.336 1.00 0.00 C ATOM 1277 CE2 TYR A 80 0.231 -4.768 -1.435 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.656 -5.103 -0.421 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.244 -6.010 0.517 1.00 0.00 O ATOM 0 H TYR A 80 -1.538 0.162 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.158 -0.425 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.684 -2.084 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.026 -2.089 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.124 -2.894 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.601 -3.487 -3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.614 -4.779 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.173 -5.288 -1.526 1.00 0.00 H new ATOM 0 HH TYR A 80 0.648 -6.341 0.282 1.00 0.00 H new ATOM 1289 N ASN A 81 0.883 -0.053 -3.003 1.00 0.00 N ATOM 1290 CA ASN A 81 2.274 0.159 -2.627 1.00 0.00 C ATOM 1291 C ASN A 81 2.398 1.393 -1.737 1.00 0.00 C ATOM 1292 O ASN A 81 3.031 1.347 -0.683 1.00 0.00 O ATOM 1293 CB ASN A 81 3.215 0.107 -3.810 1.00 0.00 C ATOM 1294 CG ASN A 81 3.240 1.340 -4.686 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.785 2.431 -4.299 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.934 1.232 -5.826 1.00 0.00 N ATOM 0 H ASN A 81 0.690 0.072 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 81 2.610 -0.679 -2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.224 -0.073 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.945 -0.749 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.101 2.057 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.295 0.324 -6.119 1.00 0.00 H new ATOM 1303 N THR A 82 1.537 2.374 -2.021 1.00 0.00 N ATOM 1304 CA THR A 82 1.556 3.631 -1.289 1.00 0.00 C ATOM 1305 C THR A 82 0.833 3.472 0.050 1.00 0.00 C ATOM 1306 O THR A 82 1.365 3.895 1.081 1.00 0.00 O ATOM 1307 CB THR A 82 0.931 4.822 -2.122 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.393 4.290 -3.351 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.889 5.997 -2.331 1.00 0.00 C ATOM 0 H THR A 82 0.825 2.317 -2.749 1.00 0.00 H new ATOM 0 HA THR A 82 2.600 3.886 -1.106 1.00 0.00 H new ATOM 0 HB THR A 82 0.120 5.265 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.094 3.802 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.390 6.774 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.187 6.400 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.773 5.654 -2.869 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.076 2.496 0.067 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.859 2.230 1.279 1.00 0.00 C ATOM 1319 C ILE A 83 -0.040 1.390 2.243 1.00 0.00 C ATOM 1320 O ILE A 83 0.140 1.760 3.405 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.252 1.640 0.898 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.185 2.834 0.480 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.940 0.771 1.966 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.330 3.896 1.598 1.00 0.00 C ATOM 0 H ILE A 83 -0.287 1.888 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.081 3.153 1.815 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.072 0.942 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.784 3.308 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.171 2.447 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.899 0.419 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.307 -0.084 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.102 1.362 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.985 4.698 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.758 3.432 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.349 4.306 1.839 1.00 0.00 H new ATOM 1336 N ALA A 84 0.576 0.338 1.709 1.00 0.00 N ATOM 1337 CA ALA A 84 1.419 -0.538 2.504 1.00 0.00 C ATOM 1338 C ALA A 84 2.608 0.251 3.066 1.00 0.00 C ATOM 1339 O ALA A 84 2.650 0.425 4.306 1.00 0.00 O ATOM 1340 CB ALA A 84 1.878 -1.748 1.710 1.00 0.00 C ATOM 0 H ALA A 84 0.504 0.075 0.726 1.00 0.00 H new ATOM 0 HA ALA A 84 0.830 -0.918 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.506 -2.379 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.009 -2.317 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.449 -1.418 0.842 1.00 0.00 H new ATOM 1346 N VAL A 85 3.124 1.146 2.221 1.00 0.00 N ATOM 1347 CA VAL A 85 4.161 2.078 2.648 1.00 0.00 C ATOM 1348 C VAL A 85 3.623 2.984 3.754 1.00 0.00 C ATOM 1349 O VAL A 85 4.310 3.195 4.752 1.00 0.00 O ATOM 1350 CB VAL A 85 4.777 2.812 1.450 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.666 3.991 1.842 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.546 1.856 0.542 1.00 0.00 C ATOM 0 H VAL A 85 2.841 1.242 1.246 1.00 0.00 H new ATOM 0 HA VAL A 85 4.995 1.533 3.089 1.00 0.00 H new ATOM 0 HB VAL A 85 3.930 3.224 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.066 4.460 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.079 4.719 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.489 3.636 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.968 2.411 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.350 1.385 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.870 1.089 0.165 1.00 0.00 H new ATOM 1362 N LEU A 86 2.538 3.687 3.444 1.00 0.00 N ATOM 1363 CA LEU A 86 2.017 4.713 4.329 1.00 0.00 C ATOM 1364 C LEU A 86 1.534 4.081 5.641 1.00 0.00 C ATOM 1365 O LEU A 86 1.734 4.662 6.711 1.00 0.00 O ATOM 1366 CB LEU A 86 0.951 5.527 3.599 1.00 0.00 C ATOM 1367 CG LEU A 86 0.739 6.969 4.028 1.00 0.00 C ATOM 1368 CD1 LEU A 86 2.054 7.699 4.252 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.067 7.685 2.944 1.00 0.00 C ATOM 0 H LEU A 86 2.004 3.561 2.584 1.00 0.00 H new ATOM 0 HA LEU A 86 2.802 5.416 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.199 5.527 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.001 5.004 3.704 1.00 0.00 H new ATOM 0 HG LEU A 86 0.203 6.970 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.853 8.726 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.623 7.193 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.631 7.702 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.228 8.723 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.482 7.654 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.030 7.189 2.819 1.00 0.00 H new ATOM 1381 N TYR A 87 1.305 2.767 5.561 1.00 0.00 N ATOM 1382 CA TYR A 87 1.214 1.926 6.743 1.00 0.00 C ATOM 1383 C TYR A 87 2.579 1.763 7.397 1.00 0.00 C ATOM 1384 O TYR A 87 2.727 1.919 8.609 1.00 0.00 O ATOM 1385 CB TYR A 87 0.559 0.568 6.448 1.00 0.00 C ATOM 1386 CG TYR A 87 0.068 -0.139 7.718 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.955 -0.355 8.781 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.300 -0.128 8.008 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.493 -0.689 10.054 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.778 -0.485 9.265 1.00 0.00 C ATOM 1391 CZ TYR A 87 -0.879 -0.817 10.270 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.385 -1.205 11.479 1.00 0.00 O ATOM 0 H TYR A 87 1.180 2.267 4.681 1.00 0.00 H new ATOM 0 HA TYR A 87 0.559 2.433 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.282 0.714 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.275 -0.073 5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.017 -0.261 8.611 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.001 0.164 7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.190 -0.847 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.841 -0.504 9.458 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.363 -1.234 11.430 1.00 0.00 H new ATOM 1402 N CYS A 88 3.583 1.493 6.575 1.00 0.00 N ATOM 1403 CA CYS A 88 4.959 1.354 7.031 1.00 0.00 C ATOM 1404 C CYS A 88 5.422 2.629 7.742 1.00 0.00 C ATOM 1405 O CYS A 88 6.123 2.575 8.746 1.00 0.00 O ATOM 1406 CB CYS A 88 5.881 1.030 5.855 1.00 0.00 C ATOM 1407 SG CYS A 88 6.963 -0.394 6.070 1.00 0.00 S ATOM 0 H CYS A 88 3.466 1.364 5.570 1.00 0.00 H new ATOM 0 HA CYS A 88 5.005 0.530 7.743 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.265 0.863 4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.500 1.904 5.652 1.00 0.00 H new ATOM 0 HG CYS A 88 6.392 -1.258 6.855 1.00 0.00 H new ATOM 1412 N VAL A 89 4.916 3.755 7.260 1.00 0.00 N ATOM 1413 CA VAL A 89 5.394 5.060 7.699 1.00 0.00 C ATOM 1414 C VAL A 89 4.603 5.504 8.932 1.00 0.00 C ATOM 1415 O VAL A 89 5.194 5.648 10.019 1.00 0.00 O ATOM 1416 CB VAL A 89 5.335 6.067 6.534 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.045 7.377 6.851 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.866 5.465 5.241 1.00 0.00 C ATOM 0 H VAL A 89 4.172 3.792 6.563 1.00 0.00 H new ATOM 0 HA VAL A 89 6.441 5.003 7.997 1.00 0.00 H new ATOM 0 HB VAL A 89 4.280 6.301 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.971 8.047 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.578 7.843 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.095 7.179 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.808 6.206 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.904 5.162 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.267 4.595 4.972 1.00 0.00 H new ATOM 1428 N HIS A 90 3.298 5.235 8.872 1.00 0.00 N ATOM 1429 CA HIS A 90 2.399 5.641 9.942 1.00 0.00 C ATOM 1430 C HIS A 90 2.779 4.942 11.246 1.00 0.00 C ATOM 1431 O HIS A 90 2.858 5.576 12.296 1.00 0.00 O ATOM 1432 CB HIS A 90 0.905 5.355 9.645 1.00 0.00 C ATOM 1433 CG HIS A 90 0.332 6.274 8.608 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.740 7.568 8.412 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.552 6.003 7.614 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.095 8.073 7.371 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.770 7.178 6.942 1.00 0.00 N ATOM 0 H HIS A 90 2.848 4.743 8.100 1.00 0.00 H new ATOM 0 HA HIS A 90 2.513 6.722 10.028 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.797 4.324 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.331 5.452 10.567 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.998 5.044 7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.252 9.053 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.483 7.333 6.229 1.00 0.00 H new ATOM 1446 N GLN A 91 3.222 3.697 11.109 1.00 0.00 N ATOM 1447 CA GLN A 91 3.763 2.941 12.225 1.00 0.00 C ATOM 1448 C GLN A 91 4.996 3.652 12.798 1.00 0.00 C ATOM 1449 O GLN A 91 5.120 3.817 14.010 1.00 0.00 O ATOM 1450 CB GLN A 91 4.108 1.497 11.850 1.00 0.00 C ATOM 1451 CG GLN A 91 3.271 0.457 12.565 1.00 0.00 C ATOM 1452 CD GLN A 91 1.787 0.699 12.452 1.00 0.00 C ATOM 1453 OE1 GLN A 91 1.315 1.493 11.644 1.00 0.00 O ATOM 1454 NE2 GLN A 91 1.031 -0.029 13.273 1.00 0.00 N ATOM 0 H GLN A 91 3.215 3.188 10.225 1.00 0.00 H new ATOM 0 HA GLN A 91 2.983 2.892 12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.983 1.372 10.774 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.160 1.317 12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.503 -0.527 12.158 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.549 0.440 13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.468 -0.677 13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.015 0.061 13.246 1.00 0.00 H new ATOM 1463 N ARG A 92 6.025 3.713 11.955 1.00 0.00 N ATOM 1464 CA ARG A 92 7.396 3.923 12.379 1.00 0.00 C ATOM 1465 C ARG A 92 8.331 3.683 11.169 1.00 0.00 C ATOM 1466 O ARG A 92 9.433 4.232 11.146 1.00 0.00 O ATOM 1467 CB ARG A 92 7.826 2.993 13.516 1.00 0.00 C ATOM 1468 CG ARG A 92 9.276 3.149 13.961 1.00 0.00 C ATOM 1469 CD ARG A 92 9.491 4.433 14.686 1.00 0.00 C ATOM 1470 NE ARG A 92 8.448 4.692 15.667 1.00 0.00 N ATOM 1471 CZ ARG A 92 7.893 5.892 15.847 1.00 0.00 C ATOM 1472 NH1 ARG A 92 8.385 6.981 15.263 1.00 0.00 N ATOM 1473 NH2 ARG A 92 6.845 6.009 16.664 1.00 0.00 N ATOM 0 H ARG A 92 5.922 3.616 10.945 1.00 0.00 H new ATOM 0 HA ARG A 92 7.464 4.945 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.177 3.168 14.374 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.667 1.961 13.202 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.551 2.315 14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.931 3.108 13.091 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.459 4.408 15.186 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.524 5.253 13.968 1.00 0.00 H new ATOM 0 HE ARG A 92 8.125 3.917 16.246 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.205 6.910 14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.942 7.887 15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.477 5.187 17.143 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.412 6.921 16.810 1.00 0.00 H new ATOM 1487 N ILE A 93 8.085 2.535 10.533 1.00 0.00 N ATOM 1488 CA ILE A 93 9.029 1.951 9.595 1.00 0.00 C ATOM 1489 C ILE A 93 9.291 2.907 8.437 1.00 0.00 C ATOM 1490 O ILE A 93 8.384 3.584 7.956 1.00 0.00 O ATOM 1491 CB ILE A 93 8.507 0.552 9.088 1.00 0.00 C ATOM 1492 CG1 ILE A 93 8.076 -0.300 10.310 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.532 -0.179 8.197 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.546 -0.370 10.531 1.00 0.00 C ATOM 0 H ILE A 93 7.230 1.992 10.657 1.00 0.00 H new ATOM 0 HA ILE A 93 9.977 1.785 10.106 1.00 0.00 H new ATOM 0 HB ILE A 93 7.641 0.716 8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.460 -1.313 10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.542 0.110 11.206 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.119 -1.136 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.754 0.431 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.449 -0.350 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.332 -0.985 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.155 0.635 10.690 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.071 -0.809 9.654 1.00 0.00 H new ATOM 1506 N ASP A 94 10.562 3.017 8.057 1.00 0.00 N ATOM 1507 CA ASP A 94 10.925 3.676 6.812 1.00 0.00 C ATOM 1508 C ASP A 94 11.350 2.649 5.765 1.00 0.00 C ATOM 1509 O ASP A 94 12.059 1.692 6.079 1.00 0.00 O ATOM 1510 CB ASP A 94 11.942 4.792 7.025 1.00 0.00 C ATOM 1511 CG ASP A 94 13.170 4.350 7.797 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.636 3.228 7.502 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.660 5.070 8.680 1.00 0.00 O ATOM 0 H ASP A 94 11.352 2.659 8.593 1.00 0.00 H new ATOM 0 HA ASP A 94 10.040 4.177 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.252 5.180 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.463 5.613 7.558 1.00 0.00 H new ATOM 1518 N VAL A 95 11.243 3.079 4.500 1.00 0.00 N ATOM 1519 CA VAL A 95 11.487 2.150 3.390 1.00 0.00 C ATOM 1520 C VAL A 95 12.244 2.869 2.282 1.00 0.00 C ATOM 1521 O VAL A 95 12.666 4.016 2.459 1.00 0.00 O ATOM 1522 CB VAL A 95 10.219 1.398 3.007 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.329 1.071 4.213 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.398 2.078 1.924 1.00 0.00 C ATOM 0 H VAL A 95 10.998 4.030 4.226 1.00 0.00 H new ATOM 0 HA VAL A 95 12.152 1.339 3.686 1.00 0.00 H new ATOM 0 HB VAL A 95 10.589 0.462 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.442 0.535 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.883 0.449 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.029 1.996 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.513 1.480 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.093 3.067 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.998 2.176 1.020 1.00 0.00 H new ATOM 1534 N LYS A 96 12.720 2.066 1.324 1.00 0.00 N ATOM 1535 CA LYS A 96 13.514 2.595 0.222 1.00 0.00 C ATOM 1536 C LYS A 96 12.761 2.404 -1.099 1.00 0.00 C ATOM 1537 O LYS A 96 12.247 3.379 -1.655 1.00 0.00 O ATOM 1538 CB LYS A 96 14.884 1.939 0.115 1.00 0.00 C ATOM 1539 CG LYS A 96 14.953 0.515 0.665 1.00 0.00 C ATOM 1540 CD LYS A 96 16.374 0.005 0.823 1.00 0.00 C ATOM 1541 CE LYS A 96 16.570 -0.953 1.922 1.00 0.00 C ATOM 1542 NZ LYS A 96 16.032 -2.293 1.577 1.00 0.00 N ATOM 0 H LYS A 96 12.569 1.058 1.293 1.00 0.00 H new ATOM 0 HA LYS A 96 13.671 3.654 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.184 1.925 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.610 2.555 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.452 0.481 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.406 -0.152 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.681 -0.467 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.035 0.857 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.633 -1.034 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.078 -0.583 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.653 -3.028 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.077 -2.397 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.988 -2.394 0.543 1.00 0.00 H new ATOM 1556 N ASP A 97 12.312 1.156 -1.283 1.00 0.00 N ATOM 1557 CA ASP A 97 11.483 0.817 -2.433 1.00 0.00 C ATOM 1558 C ASP A 97 10.162 0.204 -1.974 1.00 0.00 C ATOM 1559 O ASP A 97 10.078 -0.331 -0.862 1.00 0.00 O ATOM 1560 CB ASP A 97 12.252 -0.006 -3.459 1.00 0.00 C ATOM 1561 CG ASP A 97 12.360 -1.479 -3.119 1.00 0.00 C ATOM 1562 OD1 ASP A 97 12.002 -1.906 -2.012 1.00 0.00 O ATOM 1563 OD2 ASP A 97 12.812 -2.222 -4.018 1.00 0.00 O ATOM 0 H ASP A 97 12.509 0.377 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 97 11.215 1.728 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.766 0.097 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.256 0.407 -3.561 1.00 0.00 H new ATOM 1568 N THR A 98 9.300 -0.058 -2.955 1.00 0.00 N ATOM 1569 CA THR A 98 8.044 -0.750 -2.720 1.00 0.00 C ATOM 1570 C THR A 98 8.291 -2.130 -2.119 1.00 0.00 C ATOM 1571 O THR A 98 7.681 -2.502 -1.122 1.00 0.00 O ATOM 1572 CB THR A 98 7.191 -0.871 -4.053 1.00 0.00 C ATOM 1573 OG1 THR A 98 6.929 0.488 -4.503 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.924 -1.709 -3.908 1.00 0.00 C ATOM 0 H THR A 98 9.456 0.204 -3.928 1.00 0.00 H new ATOM 0 HA THR A 98 7.470 -0.158 -2.007 1.00 0.00 H new ATOM 0 HB THR A 98 7.758 -1.423 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.402 0.463 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.399 -1.742 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.190 -2.722 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.277 -1.263 -3.153 1.00 0.00 H new ATOM 1582 N LYS A 99 9.241 -2.849 -2.708 1.00 0.00 N ATOM 1583 CA LYS A 99 9.444 -4.254 -2.385 1.00 0.00 C ATOM 1584 C LYS A 99 9.819 -4.411 -0.913 1.00 0.00 C ATOM 1585 O LYS A 99 9.201 -5.204 -0.194 1.00 0.00 O ATOM 1586 CB LYS A 99 10.536 -4.889 -3.247 1.00 0.00 C ATOM 1587 CG LYS A 99 10.017 -5.936 -4.233 1.00 0.00 C ATOM 1588 CD LYS A 99 11.088 -6.912 -4.683 1.00 0.00 C ATOM 1589 CE LYS A 99 11.413 -7.968 -3.711 1.00 0.00 C ATOM 1590 NZ LYS A 99 10.234 -8.824 -3.425 1.00 0.00 N ATOM 0 H LYS A 99 9.882 -2.481 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 99 8.504 -4.766 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.049 -4.104 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.276 -5.354 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.201 -6.490 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.604 -5.431 -5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.764 -7.381 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.997 -6.353 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.225 -8.583 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.769 -7.515 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.552 -9.737 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.622 -8.351 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.701 -8.985 -4.303 1.00 0.00 H new ATOM 1604 N GLU A 100 10.512 -3.388 -0.399 1.00 0.00 N ATOM 1605 CA GLU A 100 11.051 -3.462 0.954 1.00 0.00 C ATOM 1606 C GLU A 100 9.982 -3.104 1.976 1.00 0.00 C ATOM 1607 O GLU A 100 9.878 -3.728 3.030 1.00 0.00 O ATOM 1608 CB GLU A 100 12.255 -2.519 1.029 1.00 0.00 C ATOM 1609 CG GLU A 100 12.213 -1.170 1.464 1.00 0.00 C ATOM 1610 CD GLU A 100 12.666 -0.896 2.871 1.00 0.00 C ATOM 1611 OE1 GLU A 100 13.890 -1.129 3.016 1.00 0.00 O ATOM 1612 OE2 GLU A 100 11.898 -0.797 3.818 1.00 0.00 O ATOM 0 H GLU A 100 10.708 -2.517 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 100 11.373 -4.477 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.983 -3.016 1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.678 -2.495 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.828 -0.576 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.189 -0.812 1.361 1.00 0.00 H new ATOM 1619 N ALA A 101 9.183 -2.092 1.643 1.00 0.00 N ATOM 1620 CA ALA A 101 7.987 -1.779 2.411 1.00 0.00 C ATOM 1621 C ALA A 101 7.015 -2.961 2.380 1.00 0.00 C ATOM 1622 O ALA A 101 6.896 -3.681 3.380 1.00 0.00 O ATOM 1623 CB ALA A 101 7.323 -0.508 1.905 1.00 0.00 C ATOM 0 H ALA A 101 9.345 -1.477 0.846 1.00 0.00 H new ATOM 0 HA ALA A 101 8.281 -1.601 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.433 -0.301 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.019 0.326 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.040 -0.636 0.860 1.00 0.00 H new ATOM 1629 N LEU A 102 6.689 -3.389 1.162 1.00 0.00 N ATOM 1630 CA LEU A 102 5.689 -4.427 0.972 1.00 0.00 C ATOM 1631 C LEU A 102 6.128 -5.729 1.631 1.00 0.00 C ATOM 1632 O LEU A 102 5.366 -6.695 1.688 1.00 0.00 O ATOM 1633 CB LEU A 102 5.416 -4.558 -0.535 1.00 0.00 C ATOM 1634 CG LEU A 102 3.962 -4.693 -0.959 1.00 0.00 C ATOM 1635 CD1 LEU A 102 3.103 -3.611 -0.320 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.885 -4.596 -2.479 1.00 0.00 C ATOM 0 H LEU A 102 7.102 -3.033 0.300 1.00 0.00 H new ATOM 0 HA LEU A 102 4.752 -4.162 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.836 -3.684 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.960 -5.427 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 102 3.580 -5.658 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.068 -3.731 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.159 -3.696 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.466 -2.630 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.847 -4.691 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.277 -3.632 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.476 -5.396 -2.925 1.00 0.00 H new ATOM 1648 N ASP A 103 7.414 -5.795 1.962 1.00 0.00 N ATOM 1649 CA ASP A 103 7.957 -6.919 2.702 1.00 0.00 C ATOM 1650 C ASP A 103 7.708 -6.755 4.200 1.00 0.00 C ATOM 1651 O ASP A 103 7.570 -7.754 4.917 1.00 0.00 O ATOM 1652 CB ASP A 103 9.418 -7.185 2.341 1.00 0.00 C ATOM 1653 CG ASP A 103 9.797 -8.651 2.421 1.00 0.00 C ATOM 1654 OD1 ASP A 103 9.324 -9.395 1.535 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.565 -9.060 3.304 1.00 0.00 O ATOM 0 H ASP A 103 8.099 -5.077 1.726 1.00 0.00 H new ATOM 0 HA ASP A 103 7.423 -7.821 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.607 -6.822 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.061 -6.613 3.011 1.00 0.00 H new ATOM 1660 N LYS A 104 8.072 -5.575 4.705 1.00 0.00 N ATOM 1661 CA LYS A 104 7.810 -5.235 6.098 1.00 0.00 C ATOM 1662 C LYS A 104 6.309 -5.170 6.362 1.00 0.00 C ATOM 1663 O LYS A 104 5.836 -5.681 7.387 1.00 0.00 O ATOM 1664 CB LYS A 104 8.452 -3.901 6.480 1.00 0.00 C ATOM 1665 CG LYS A 104 8.987 -3.854 7.912 1.00 0.00 C ATOM 1666 CD LYS A 104 10.432 -3.397 7.992 1.00 0.00 C ATOM 1667 CE LYS A 104 11.426 -4.428 7.653 1.00 0.00 C ATOM 1668 NZ LYS A 104 12.023 -4.188 6.314 1.00 0.00 N ATOM 0 H LYS A 104 8.546 -4.846 4.172 1.00 0.00 H new ATOM 0 HA LYS A 104 8.252 -6.020 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.270 -3.693 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.717 -3.106 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.366 -3.181 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.900 -4.844 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.567 -2.548 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.630 -3.040 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.213 -4.438 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.954 -5.410 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.843 -4.814 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.315 -4.385 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.329 -3.197 6.243 1.00 0.00 H new ATOM 1682 N ILE A 105 5.563 -4.956 5.278 1.00 0.00 N ATOM 1683 CA ILE A 105 4.110 -4.866 5.355 1.00 0.00 C ATOM 1684 C ILE A 105 3.497 -6.256 5.133 1.00 0.00 C ATOM 1685 O ILE A 105 2.704 -6.698 5.984 1.00 0.00 O ATOM 1686 CB ILE A 105 3.585 -3.811 4.315 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.371 -2.482 4.522 1.00 0.00 C ATOM 1688 CG2 ILE A 105 2.061 -3.584 4.364 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.883 -1.638 5.725 1.00 0.00 C ATOM 0 H ILE A 105 5.943 -4.842 4.338 1.00 0.00 H new ATOM 0 HA ILE A 105 3.807 -4.525 6.345 1.00 0.00 H new ATOM 0 HB ILE A 105 3.766 -4.209 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.427 -2.715 4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.293 -1.882 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.779 -2.843 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.547 -4.522 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.778 -3.226 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.482 -0.730 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.836 -1.371 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.987 -2.218 6.642 1.00 0.00 H new ATOM 1701 N GLU A 106 4.256 -7.073 4.400 1.00 0.00 N ATOM 1702 CA GLU A 106 4.042 -8.512 4.351 1.00 0.00 C ATOM 1703 C GLU A 106 4.606 -9.182 5.597 1.00 0.00 C ATOM 1704 O GLU A 106 4.266 -10.321 5.913 1.00 0.00 O ATOM 1705 CB GLU A 106 4.714 -9.034 3.075 1.00 0.00 C ATOM 1706 CG GLU A 106 4.046 -9.226 1.836 1.00 0.00 C ATOM 1707 CD GLU A 106 4.843 -9.825 0.716 1.00 0.00 C ATOM 1708 OE1 GLU A 106 5.547 -8.974 0.130 1.00 0.00 O ATOM 1709 OE2 GLU A 106 4.769 -10.991 0.370 1.00 0.00 O ATOM 0 H GLU A 106 5.035 -6.751 3.825 1.00 0.00 H new ATOM 0 HA GLU A 106 2.977 -8.744 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.542 -8.355 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.150 -9.998 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.180 -9.864 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.667 -8.260 1.503 1.00 0.00 H new