USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 34 GLN : amide:sc= 0.255 K(o=-0.52,f=-3.5!) USER MOD Set 1.2: A 79 SER OG : rot 79:sc= -0.779! USER MOD Set 2.1: A 29 GLN : amide:sc= 0.733 K(o=0.67,f=-10!) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 176:sc= -0.068 (180deg=-1.08) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.145 USER MOD Single : A 20 THR OG1 : rot -177:sc= -1.46! USER MOD Single : A 23 TYR OH : rot 162:sc= -0.674 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -68:sc= 1.01 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.0385 (180deg=-0.0385) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -139:sc= -2.81 (180deg=-7.97!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.9) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.0454) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 164:sc= -0.954 (180deg=-2.15!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.857 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -60:sc= -1.63 USER MOD Single : A 83 SER OG : rot 62:sc= 0.852 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00567 USER MOD Single : A 108 MET CE :methyl -120:sc= -0.56 (180deg=-1.36) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.92! C(o=-2.9!,f=-12!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0752 USER MOD Single : B 10 SER OG : rot 166:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.040 -12.187 -5.184 1.00 0.00 N ATOM 223 CA ILE A 14 1.313 -11.417 -4.898 1.00 0.00 C ATOM 224 C ILE A 14 1.000 -10.094 -4.163 1.00 0.00 C ATOM 225 O ILE A 14 1.787 -9.638 -3.354 1.00 0.00 O ATOM 226 CB ILE A 14 1.983 -11.125 -6.260 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.274 -10.312 -6.057 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.029 -10.319 -7.149 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.235 -11.057 -5.123 1.00 0.00 C ATOM 0 HA ILE A 14 1.973 -11.998 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 14 2.222 -12.076 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.755 -10.136 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.034 -9.335 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.508 -10.117 -8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.115 -10.890 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.785 -9.376 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.143 -10.468 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.757 -11.210 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.490 -12.023 -5.558 1.00 0.00 H new ATOM 241 N GLU A 15 -0.147 -9.480 -4.418 1.00 0.00 N ATOM 242 CA GLU A 15 -0.488 -8.195 -3.699 1.00 0.00 C ATOM 243 C GLU A 15 -0.344 -8.388 -2.177 1.00 0.00 C ATOM 244 O GLU A 15 0.042 -7.477 -1.471 1.00 0.00 O ATOM 245 CB GLU A 15 -1.949 -7.855 -4.054 1.00 0.00 C ATOM 246 CG GLU A 15 -1.971 -6.786 -5.151 1.00 0.00 C ATOM 247 CD GLU A 15 -2.148 -7.455 -6.516 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.260 -7.854 -6.818 1.00 0.00 O ATOM 249 OE2 GLU A 15 -1.168 -7.557 -7.235 1.00 0.00 O ATOM 0 H GLU A 15 -0.849 -9.808 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 15 0.183 -7.390 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.470 -8.750 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.475 -7.495 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.784 -6.083 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.044 -6.213 -5.133 1.00 0.00 H new ATOM 256 N GLY A 16 -0.630 -9.572 -1.665 1.00 0.00 N ATOM 257 CA GLY A 16 -0.478 -9.804 -0.195 1.00 0.00 C ATOM 258 C GLY A 16 0.994 -9.584 0.199 1.00 0.00 C ATOM 259 O GLY A 16 1.280 -8.993 1.223 1.00 0.00 O ATOM 0 H GLY A 16 -0.958 -10.375 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.122 -9.124 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.788 -10.817 0.060 1.00 0.00 H new ATOM 263 N ARG A 17 1.932 -10.040 -0.613 1.00 0.00 N ATOM 264 CA ARG A 17 3.385 -9.828 -0.269 1.00 0.00 C ATOM 265 C ARG A 17 3.702 -8.328 -0.228 1.00 0.00 C ATOM 266 O ARG A 17 4.485 -7.887 0.590 1.00 0.00 O ATOM 267 CB ARG A 17 4.214 -10.518 -1.365 1.00 0.00 C ATOM 268 CG ARG A 17 5.511 -11.057 -0.761 1.00 0.00 C ATOM 269 CD ARG A 17 5.199 -12.269 0.120 1.00 0.00 C ATOM 270 NE ARG A 17 6.306 -13.231 -0.144 1.00 0.00 N ATOM 271 CZ ARG A 17 7.024 -13.687 0.847 1.00 0.00 C ATOM 272 NH1 ARG A 17 6.442 -14.098 1.939 1.00 0.00 N ATOM 273 NH2 ARG A 17 8.324 -13.731 0.744 1.00 0.00 N ATOM 0 H ARG A 17 1.758 -10.541 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 17 3.618 -10.245 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.642 -11.332 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.439 -9.812 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.204 -11.339 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.000 -10.282 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.159 -11.992 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.231 -12.702 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 17 6.503 -13.533 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.426 -14.063 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.003 -14.454 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.779 -13.409 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.885 -14.087 1.518 1.00 0.00 H new ATOM 287 N TYR A 18 3.099 -7.527 -1.092 1.00 0.00 N ATOM 288 CA TYR A 18 3.387 -6.043 -1.058 1.00 0.00 C ATOM 289 C TYR A 18 3.150 -5.501 0.360 1.00 0.00 C ATOM 290 O TYR A 18 3.903 -4.676 0.844 1.00 0.00 O ATOM 291 CB TYR A 18 2.409 -5.374 -2.042 1.00 0.00 C ATOM 292 CG TYR A 18 3.070 -5.169 -3.384 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.714 -6.235 -4.023 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.025 -3.911 -3.993 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.316 -6.039 -5.272 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.624 -3.716 -5.242 1.00 0.00 C ATOM 297 CZ TYR A 18 4.271 -4.779 -5.881 1.00 0.00 C ATOM 298 OH TYR A 18 4.862 -4.587 -7.114 1.00 0.00 O ATOM 0 H TYR A 18 2.434 -7.828 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 18 4.421 -5.838 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.520 -5.994 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.079 -4.415 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.747 -7.207 -3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.528 -3.090 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.815 -6.860 -5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.587 -2.745 -5.713 1.00 0.00 H new ATOM 0 HH TYR A 18 4.739 -3.656 -7.395 1.00 0.00 H new ATOM 308 N ALA A 19 2.121 -5.972 1.040 1.00 0.00 N ATOM 309 CA ALA A 19 1.875 -5.481 2.438 1.00 0.00 C ATOM 310 C ALA A 19 2.896 -6.114 3.390 1.00 0.00 C ATOM 311 O ALA A 19 3.376 -5.463 4.299 1.00 0.00 O ATOM 312 CB ALA A 19 0.453 -5.910 2.833 1.00 0.00 C ATOM 0 H ALA A 19 1.454 -6.662 0.693 1.00 0.00 H new ATOM 0 HA ALA A 19 1.976 -4.397 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.238 -5.570 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.265 -5.469 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.376 -6.996 2.792 1.00 0.00 H new ATOM 318 N THR A 20 3.245 -7.374 3.193 1.00 0.00 N ATOM 319 CA THR A 20 4.248 -8.004 4.115 1.00 0.00 C ATOM 320 C THR A 20 5.658 -7.489 3.811 1.00 0.00 C ATOM 321 O THR A 20 6.460 -7.343 4.716 1.00 0.00 O ATOM 322 CB THR A 20 4.152 -9.529 3.939 1.00 0.00 C ATOM 323 OG1 THR A 20 3.365 -9.834 2.792 1.00 0.00 O ATOM 324 CG2 THR A 20 3.498 -10.126 5.190 1.00 0.00 C ATOM 0 H THR A 20 2.887 -7.976 2.452 1.00 0.00 H new ATOM 0 HA THR A 20 4.036 -7.741 5.151 1.00 0.00 H new ATOM 0 HB THR A 20 5.148 -9.950 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.268 -10.806 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.423 -11.208 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.104 -9.891 6.065 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.501 -9.704 5.316 1.00 0.00 H new ATOM 332 N ALA A 21 5.972 -7.171 2.570 1.00 0.00 N ATOM 333 CA ALA A 21 7.340 -6.622 2.292 1.00 0.00 C ATOM 334 C ALA A 21 7.418 -5.151 2.743 1.00 0.00 C ATOM 335 O ALA A 21 8.500 -4.621 2.914 1.00 0.00 O ATOM 336 CB ALA A 21 7.576 -6.743 0.779 1.00 0.00 C ATOM 0 H ALA A 21 5.358 -7.265 1.761 1.00 0.00 H new ATOM 0 HA ALA A 21 8.105 -7.173 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.564 -6.353 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.515 -7.791 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.817 -6.171 0.245 1.00 0.00 H new ATOM 342 N LEU A 22 6.293 -4.489 2.973 1.00 0.00 N ATOM 343 CA LEU A 22 6.354 -3.070 3.449 1.00 0.00 C ATOM 344 C LEU A 22 6.146 -3.066 4.959 1.00 0.00 C ATOM 345 O LEU A 22 6.909 -2.456 5.686 1.00 0.00 O ATOM 346 CB LEU A 22 5.219 -2.322 2.739 1.00 0.00 C ATOM 347 CG LEU A 22 5.219 -0.850 3.181 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.873 0.013 2.099 1.00 0.00 C ATOM 349 CD2 LEU A 22 3.778 -0.382 3.408 1.00 0.00 C ATOM 0 H LEU A 22 5.355 -4.870 2.852 1.00 0.00 H new ATOM 0 HA LEU A 22 7.310 -2.594 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.346 -2.388 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.261 -2.784 2.976 1.00 0.00 H new ATOM 0 HG LEU A 22 5.782 -0.753 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.871 1.056 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.900 -0.317 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.314 -0.085 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.780 0.662 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.213 -0.482 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.315 -0.993 4.183 1.00 0.00 H new ATOM 361 N TYR A 23 5.146 -3.771 5.446 1.00 0.00 N ATOM 362 CA TYR A 23 4.953 -3.818 6.919 1.00 0.00 C ATOM 363 C TYR A 23 6.061 -4.692 7.555 1.00 0.00 C ATOM 364 O TYR A 23 6.278 -4.606 8.744 1.00 0.00 O ATOM 365 CB TYR A 23 3.499 -4.332 7.169 1.00 0.00 C ATOM 366 CG TYR A 23 3.459 -5.682 7.848 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.858 -5.807 9.179 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.025 -6.798 7.139 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.830 -7.056 9.801 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.995 -8.045 7.754 1.00 0.00 C ATOM 371 CZ TYR A 23 3.400 -8.182 9.089 1.00 0.00 C ATOM 372 OH TYR A 23 3.371 -9.418 9.699 1.00 0.00 O ATOM 0 H TYR A 23 4.473 -4.302 4.893 1.00 0.00 H new ATOM 0 HA TYR A 23 5.049 -2.842 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.964 -3.607 7.782 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.973 -4.395 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.188 -4.938 9.728 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.711 -6.696 6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.140 -7.154 10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.659 -8.910 7.202 1.00 0.00 H new ATOM 0 HH TYR A 23 2.794 -10.022 9.187 1.00 0.00 H new ATOM 382 N SER A 24 6.790 -5.517 6.788 1.00 0.00 N ATOM 383 CA SER A 24 7.894 -6.338 7.425 1.00 0.00 C ATOM 384 C SER A 24 8.798 -5.396 8.240 1.00 0.00 C ATOM 385 O SER A 24 9.196 -5.713 9.346 1.00 0.00 O ATOM 386 CB SER A 24 8.684 -6.992 6.284 1.00 0.00 C ATOM 387 OG SER A 24 10.043 -7.137 6.676 1.00 0.00 O ATOM 0 H SER A 24 6.667 -5.648 5.784 1.00 0.00 H new ATOM 0 HA SER A 24 7.500 -7.104 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.257 -7.966 6.042 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.616 -6.382 5.383 1.00 0.00 H new ATOM 0 HG SER A 24 10.550 -7.556 5.950 1.00 0.00 H new ATOM 393 N ALA A 25 9.061 -4.206 7.727 1.00 0.00 N ATOM 394 CA ALA A 25 9.864 -3.222 8.519 1.00 0.00 C ATOM 395 C ALA A 25 8.949 -2.661 9.617 1.00 0.00 C ATOM 396 O ALA A 25 9.357 -2.507 10.753 1.00 0.00 O ATOM 397 CB ALA A 25 10.300 -2.110 7.551 1.00 0.00 C ATOM 0 H ALA A 25 8.757 -3.884 6.808 1.00 0.00 H new ATOM 0 HA ALA A 25 10.745 -3.670 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.890 -1.369 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.901 -2.540 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.418 -1.631 7.126 1.00 0.00 H new ATOM 403 N ALA A 26 7.695 -2.374 9.293 1.00 0.00 N ATOM 404 CA ALA A 26 6.751 -1.847 10.347 1.00 0.00 C ATOM 405 C ALA A 26 6.645 -2.854 11.512 1.00 0.00 C ATOM 406 O ALA A 26 6.591 -2.466 12.663 1.00 0.00 O ATOM 407 CB ALA A 26 5.379 -1.676 9.673 1.00 0.00 C ATOM 0 H ALA A 26 7.293 -2.480 8.361 1.00 0.00 H new ATOM 0 HA ALA A 26 7.108 -0.900 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.661 -1.295 10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.465 -0.972 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.037 -2.639 9.295 1.00 0.00 H new ATOM 413 N SER A 27 6.626 -4.149 11.227 1.00 0.00 N ATOM 414 CA SER A 27 6.536 -5.167 12.344 1.00 0.00 C ATOM 415 C SER A 27 7.677 -4.928 13.345 1.00 0.00 C ATOM 416 O SER A 27 7.476 -4.974 14.544 1.00 0.00 O ATOM 417 CB SER A 27 6.691 -6.551 11.693 1.00 0.00 C ATOM 418 OG SER A 27 8.055 -6.756 11.343 1.00 0.00 O ATOM 0 H SER A 27 6.668 -4.539 10.285 1.00 0.00 H new ATOM 0 HA SER A 27 5.589 -5.091 12.879 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.359 -7.328 12.381 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.062 -6.621 10.806 1.00 0.00 H new ATOM 0 HG SER A 27 8.303 -6.142 10.621 1.00 0.00 H new ATOM 424 N LYS A 28 8.873 -4.649 12.860 1.00 0.00 N ATOM 425 CA LYS A 28 10.015 -4.380 13.804 1.00 0.00 C ATOM 426 C LYS A 28 9.737 -3.078 14.572 1.00 0.00 C ATOM 427 O LYS A 28 9.991 -2.990 15.759 1.00 0.00 O ATOM 428 CB LYS A 28 11.282 -4.235 12.947 1.00 0.00 C ATOM 429 CG LYS A 28 11.838 -5.622 12.619 1.00 0.00 C ATOM 430 CD LYS A 28 13.224 -5.481 11.986 1.00 0.00 C ATOM 431 CE LYS A 28 13.969 -6.815 12.084 1.00 0.00 C ATOM 432 NZ LYS A 28 13.706 -7.497 10.788 1.00 0.00 N ATOM 0 H LYS A 28 9.104 -4.597 11.868 1.00 0.00 H new ATOM 0 HA LYS A 28 10.136 -5.186 14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.052 -3.697 12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.030 -3.649 13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.900 -6.224 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.166 -6.142 11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.130 -5.181 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.789 -4.699 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.037 -6.661 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.607 -7.409 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.185 -8.420 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.682 -7.636 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.067 -6.912 10.008 1.00 0.00 H new ATOM 446 N GLN A 29 9.196 -2.069 13.911 1.00 0.00 N ATOM 447 CA GLN A 29 8.888 -0.786 14.633 1.00 0.00 C ATOM 448 C GLN A 29 7.494 -0.835 15.303 1.00 0.00 C ATOM 449 O GLN A 29 7.074 0.134 15.905 1.00 0.00 O ATOM 450 CB GLN A 29 8.926 0.325 13.573 1.00 0.00 C ATOM 451 CG GLN A 29 10.373 0.772 13.353 1.00 0.00 C ATOM 452 CD GLN A 29 10.496 1.460 11.989 1.00 0.00 C ATOM 453 OE1 GLN A 29 9.766 2.389 11.701 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.392 1.047 11.125 1.00 0.00 N ATOM 0 H GLN A 29 8.959 -2.080 12.919 1.00 0.00 H new ATOM 0 HA GLN A 29 9.613 -0.612 15.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.500 -0.036 12.637 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.318 1.170 13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.678 1.456 14.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.041 -0.088 13.400 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.007 0.268 11.361 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.474 1.505 10.217 1.00 0.00 H new ATOM 463 N ASN A 30 6.763 -1.944 15.214 1.00 0.00 N ATOM 464 CA ASN A 30 5.406 -2.027 15.850 1.00 0.00 C ATOM 465 C ASN A 30 4.447 -1.055 15.160 1.00 0.00 C ATOM 466 O ASN A 30 3.653 -0.397 15.809 1.00 0.00 O ATOM 467 CB ASN A 30 5.587 -1.660 17.332 1.00 0.00 C ATOM 468 CG ASN A 30 4.574 -2.439 18.181 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.693 -1.852 18.777 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.656 -3.745 18.265 1.00 0.00 N ATOM 0 H ASN A 30 7.058 -2.789 14.726 1.00 0.00 H new ATOM 0 HA ASN A 30 4.981 -3.026 15.754 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.602 -1.893 17.654 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.446 -0.588 17.472 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.982 -4.263 18.829 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.394 -4.243 17.767 1.00 0.00 H new ATOM 477 N LYS A 31 4.500 -0.966 13.847 1.00 0.00 N ATOM 478 CA LYS A 31 3.572 -0.042 13.129 1.00 0.00 C ATOM 479 C LYS A 31 2.446 -0.817 12.406 1.00 0.00 C ATOM 480 O LYS A 31 1.759 -0.253 11.578 1.00 0.00 O ATOM 481 CB LYS A 31 4.445 0.713 12.122 1.00 0.00 C ATOM 482 CG LYS A 31 4.950 2.009 12.761 1.00 0.00 C ATOM 483 CD LYS A 31 5.880 2.733 11.787 1.00 0.00 C ATOM 484 CE LYS A 31 6.477 3.965 12.472 1.00 0.00 C ATOM 485 NZ LYS A 31 7.586 3.437 13.314 1.00 0.00 N ATOM 0 H LYS A 31 5.141 -1.490 13.251 1.00 0.00 H new ATOM 0 HA LYS A 31 3.073 0.634 13.823 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.287 0.092 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.872 0.937 11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.108 2.651 13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.479 1.787 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.676 2.063 11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.329 3.031 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.845 4.684 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.732 4.480 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.088 4.229 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.197 2.812 14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.249 2.900 12.719 1.00 0.00 H new ATOM 499 N LEU A 32 2.226 -2.095 12.719 1.00 0.00 N ATOM 500 CA LEU A 32 1.109 -2.868 12.044 1.00 0.00 C ATOM 501 C LEU A 32 -0.190 -2.050 12.085 1.00 0.00 C ATOM 502 O LEU A 32 -0.924 -2.008 11.118 1.00 0.00 O ATOM 503 CB LEU A 32 0.967 -4.179 12.847 1.00 0.00 C ATOM 504 CG LEU A 32 1.913 -5.264 12.288 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.321 -5.816 10.992 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.316 -4.689 12.020 1.00 0.00 C ATOM 0 H LEU A 32 2.766 -2.625 13.403 1.00 0.00 H new ATOM 0 HA LEU A 32 1.322 -3.072 10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.196 -3.995 13.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.064 -4.530 12.802 1.00 0.00 H new ATOM 0 HG LEU A 32 2.012 -6.061 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.981 -6.583 10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.342 -6.250 11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.217 -5.009 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.962 -5.474 11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.245 -3.880 11.293 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.736 -4.305 12.950 1.00 0.00 H new ATOM 518 N GLU A 33 -0.444 -1.349 13.172 1.00 0.00 N ATOM 519 CA GLU A 33 -1.667 -0.480 13.212 1.00 0.00 C ATOM 520 C GLU A 33 -1.368 0.768 12.366 1.00 0.00 C ATOM 521 O GLU A 33 -2.187 1.202 11.577 1.00 0.00 O ATOM 522 CB GLU A 33 -1.903 -0.101 14.683 1.00 0.00 C ATOM 523 CG GLU A 33 -3.401 -0.147 14.989 1.00 0.00 C ATOM 524 CD GLU A 33 -3.615 -0.610 16.430 1.00 0.00 C ATOM 525 OE1 GLU A 33 -3.255 -1.737 16.730 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.134 0.169 17.212 1.00 0.00 O ATOM 0 H GLU A 33 0.130 -1.341 14.015 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.554 -0.977 12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.366 -0.788 15.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.512 0.897 14.880 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.843 0.839 14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.903 -0.826 14.300 1.00 0.00 H new ATOM 533 N GLN A 34 -0.176 1.329 12.499 1.00 0.00 N ATOM 534 CA GLN A 34 0.192 2.531 11.663 1.00 0.00 C ATOM 535 C GLN A 34 0.048 2.206 10.166 1.00 0.00 C ATOM 536 O GLN A 34 -0.218 3.086 9.369 1.00 0.00 O ATOM 537 CB GLN A 34 1.661 2.855 11.988 1.00 0.00 C ATOM 538 CG GLN A 34 1.977 4.290 11.564 1.00 0.00 C ATOM 539 CD GLN A 34 1.832 5.236 12.766 1.00 0.00 C ATOM 540 OE1 GLN A 34 1.871 4.803 13.901 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.667 6.522 12.568 1.00 0.00 N ATOM 0 H GLN A 34 0.548 1.010 13.142 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.462 3.375 11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.843 2.732 13.056 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.320 2.159 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.990 4.346 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.304 4.599 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.633 6.892 11.618 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.572 7.153 13.364 1.00 0.00 H new ATOM 550 N VAL A 35 0.227 0.958 9.768 1.00 0.00 N ATOM 551 CA VAL A 35 0.099 0.619 8.313 1.00 0.00 C ATOM 552 C VAL A 35 -1.261 -0.053 8.041 1.00 0.00 C ATOM 553 O VAL A 35 -1.952 0.305 7.108 1.00 0.00 O ATOM 554 CB VAL A 35 1.246 -0.362 7.962 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.572 -0.232 6.474 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.526 -0.077 8.779 1.00 0.00 C ATOM 0 H VAL A 35 0.453 0.175 10.381 1.00 0.00 H new ATOM 0 HA VAL A 35 0.160 1.522 7.705 1.00 0.00 H new ATOM 0 HB VAL A 35 0.909 -1.370 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.378 -0.919 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.687 -0.474 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.883 0.790 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.302 -0.789 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.871 0.936 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.309 -0.177 9.842 1.00 0.00 H new ATOM 566 N GLU A 36 -1.652 -1.027 8.841 1.00 0.00 N ATOM 567 CA GLU A 36 -2.974 -1.715 8.595 1.00 0.00 C ATOM 568 C GLU A 36 -4.134 -0.704 8.582 1.00 0.00 C ATOM 569 O GLU A 36 -5.123 -0.914 7.904 1.00 0.00 O ATOM 570 CB GLU A 36 -3.174 -2.720 9.741 1.00 0.00 C ATOM 571 CG GLU A 36 -4.362 -3.630 9.423 1.00 0.00 C ATOM 572 CD GLU A 36 -5.063 -4.028 10.723 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.897 -3.264 11.181 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.752 -5.088 11.239 1.00 0.00 O ATOM 0 H GLU A 36 -1.123 -1.372 9.642 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.965 -2.210 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.272 -3.317 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.349 -2.190 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.061 -3.116 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.021 -4.520 8.894 1.00 0.00 H new ATOM 581 N LYS A 37 -4.037 0.386 9.321 1.00 0.00 N ATOM 582 CA LYS A 37 -5.168 1.378 9.324 1.00 0.00 C ATOM 583 C LYS A 37 -4.994 2.398 8.191 1.00 0.00 C ATOM 584 O LYS A 37 -5.930 2.670 7.461 1.00 0.00 O ATOM 585 CB LYS A 37 -5.130 2.078 10.689 1.00 0.00 C ATOM 586 CG LYS A 37 -5.846 1.213 11.727 1.00 0.00 C ATOM 587 CD LYS A 37 -5.434 1.656 13.134 1.00 0.00 C ATOM 588 CE LYS A 37 -6.174 2.944 13.500 1.00 0.00 C ATOM 589 NZ LYS A 37 -5.346 3.571 14.569 1.00 0.00 N ATOM 0 H LYS A 37 -3.240 0.627 9.910 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.125 0.882 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.097 2.249 10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.609 3.055 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.926 1.302 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.595 0.163 11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.666 0.873 13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.357 1.818 13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.270 3.603 12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.183 2.733 13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.789 4.461 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.277 2.923 15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.393 3.766 14.200 1.00 0.00 H new ATOM 603 N GLU A 38 -3.816 2.961 8.025 1.00 0.00 N ATOM 604 CA GLU A 38 -3.626 3.952 6.919 1.00 0.00 C ATOM 605 C GLU A 38 -3.738 3.228 5.570 1.00 0.00 C ATOM 606 O GLU A 38 -4.445 3.672 4.685 1.00 0.00 O ATOM 607 CB GLU A 38 -2.228 4.548 7.128 1.00 0.00 C ATOM 608 CG GLU A 38 -2.190 5.296 8.469 1.00 0.00 C ATOM 609 CD GLU A 38 -2.176 6.808 8.223 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.028 7.275 7.485 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.317 7.470 8.780 1.00 0.00 O ATOM 0 H GLU A 38 -2.992 2.779 8.599 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.379 4.740 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.478 3.757 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.985 5.228 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.057 5.025 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.305 5.003 9.034 1.00 0.00 H new ATOM 618 N LEU A 39 -3.075 2.097 5.408 1.00 0.00 N ATOM 619 CA LEU A 39 -3.195 1.349 4.101 1.00 0.00 C ATOM 620 C LEU A 39 -4.672 1.016 3.821 1.00 0.00 C ATOM 621 O LEU A 39 -5.099 1.023 2.681 1.00 0.00 O ATOM 622 CB LEU A 39 -2.374 0.055 4.246 1.00 0.00 C ATOM 623 CG LEU A 39 -1.812 -0.350 2.883 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.654 0.579 2.514 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.306 -1.793 2.951 1.00 0.00 C ATOM 0 H LEU A 39 -2.469 1.667 6.106 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.825 1.949 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.561 0.206 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.001 -0.743 4.644 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.594 -0.273 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.252 0.291 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.013 1.607 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.129 0.501 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.905 -2.084 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.522 -1.869 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.130 -2.455 3.216 1.00 0.00 H new ATOM 637 N LEU A 40 -5.467 0.742 4.845 1.00 0.00 N ATOM 638 CA LEU A 40 -6.925 0.433 4.594 1.00 0.00 C ATOM 639 C LEU A 40 -7.584 1.598 3.832 1.00 0.00 C ATOM 640 O LEU A 40 -8.423 1.383 2.977 1.00 0.00 O ATOM 641 CB LEU A 40 -7.587 0.259 5.970 1.00 0.00 C ATOM 642 CG LEU A 40 -9.055 -0.137 5.789 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.157 -1.651 5.588 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.846 0.269 7.034 1.00 0.00 C ATOM 0 H LEU A 40 -5.176 0.719 5.822 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.038 -0.468 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.062 -0.505 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.518 1.187 6.538 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.464 0.370 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.202 -1.931 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.592 -1.939 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.749 -2.162 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.892 -0.012 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.436 -0.239 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.774 1.347 7.175 1.00 0.00 H new ATOM 656 N ARG A 41 -7.210 2.832 4.127 1.00 0.00 N ATOM 657 CA ARG A 41 -7.830 3.998 3.393 1.00 0.00 C ATOM 658 C ARG A 41 -7.614 3.844 1.878 1.00 0.00 C ATOM 659 O ARG A 41 -8.490 4.154 1.094 1.00 0.00 O ATOM 660 CB ARG A 41 -7.126 5.267 3.900 1.00 0.00 C ATOM 661 CG ARG A 41 -7.559 5.552 5.339 1.00 0.00 C ATOM 662 CD ARG A 41 -8.780 6.475 5.332 1.00 0.00 C ATOM 663 NE ARG A 41 -8.898 6.966 6.733 1.00 0.00 N ATOM 664 CZ ARG A 41 -8.884 8.248 6.979 1.00 0.00 C ATOM 665 NH1 ARG A 41 -7.750 8.893 7.015 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.004 8.884 7.188 1.00 0.00 N ATOM 0 H ARG A 41 -6.515 3.079 4.831 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.904 4.047 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.045 5.139 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.375 6.114 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.798 4.619 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.742 6.017 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.646 7.301 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.678 5.940 5.024 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.990 6.300 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.875 8.395 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.739 9.895 7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.890 8.379 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.993 9.886 7.380 1.00 0.00 H new ATOM 680 N VAL A 42 -6.459 3.360 1.455 1.00 0.00 N ATOM 681 CA VAL A 42 -6.218 3.188 -0.025 1.00 0.00 C ATOM 682 C VAL A 42 -7.296 2.262 -0.622 1.00 0.00 C ATOM 683 O VAL A 42 -7.766 2.487 -1.721 1.00 0.00 O ATOM 684 CB VAL A 42 -4.815 2.564 -0.174 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.516 2.295 -1.653 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.771 3.535 0.382 1.00 0.00 C ATOM 0 H VAL A 42 -5.686 3.081 2.059 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.272 4.139 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.780 1.624 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.524 1.855 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.259 1.606 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.552 3.232 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.777 3.099 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.815 4.473 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.976 3.726 1.435 1.00 0.00 H new ATOM 696 N GLY A 43 -7.700 1.231 0.095 1.00 0.00 N ATOM 697 CA GLY A 43 -8.752 0.316 -0.438 1.00 0.00 C ATOM 698 C GLY A 43 -10.072 1.089 -0.566 1.00 0.00 C ATOM 699 O GLY A 43 -10.733 1.025 -1.585 1.00 0.00 O ATOM 0 H GLY A 43 -7.344 0.991 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.451 -0.078 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.879 -0.538 0.227 1.00 0.00 H new ATOM 703 N GLN A 44 -10.459 1.831 0.456 1.00 0.00 N ATOM 704 CA GLN A 44 -11.746 2.615 0.364 1.00 0.00 C ATOM 705 C GLN A 44 -11.674 3.601 -0.815 1.00 0.00 C ATOM 706 O GLN A 44 -12.644 3.793 -1.522 1.00 0.00 O ATOM 707 CB GLN A 44 -11.896 3.383 1.688 1.00 0.00 C ATOM 708 CG GLN A 44 -12.580 2.489 2.723 1.00 0.00 C ATOM 709 CD GLN A 44 -12.982 3.329 3.941 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.256 3.386 4.914 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.113 3.992 3.935 1.00 0.00 N ATOM 0 H GLN A 44 -9.950 1.927 1.335 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.598 1.955 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.917 3.695 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.482 4.289 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.461 2.018 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.907 1.687 3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.726 3.948 3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.380 4.552 4.744 1.00 0.00 H new ATOM 720 N ILE A 45 -10.530 4.222 -1.040 1.00 0.00 N ATOM 721 CA ILE A 45 -10.415 5.189 -2.195 1.00 0.00 C ATOM 722 C ILE A 45 -10.737 4.453 -3.505 1.00 0.00 C ATOM 723 O ILE A 45 -11.487 4.948 -4.326 1.00 0.00 O ATOM 724 CB ILE A 45 -8.953 5.697 -2.189 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.720 6.537 -0.928 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.662 6.558 -3.434 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.238 6.493 -0.544 1.00 0.00 C ATOM 0 H ILE A 45 -9.683 4.105 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.110 6.024 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.285 4.836 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.030 7.567 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.329 6.156 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.628 6.902 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.821 5.963 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.331 7.419 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.077 7.091 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.943 5.462 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.638 6.895 -1.361 1.00 0.00 H new ATOM 739 N LEU A 46 -10.184 3.277 -3.705 1.00 0.00 N ATOM 740 CA LEU A 46 -10.483 2.527 -4.974 1.00 0.00 C ATOM 741 C LEU A 46 -11.937 2.027 -4.965 1.00 0.00 C ATOM 742 O LEU A 46 -12.593 2.018 -5.990 1.00 0.00 O ATOM 743 CB LEU A 46 -9.513 1.334 -5.023 1.00 0.00 C ATOM 744 CG LEU A 46 -9.258 0.908 -6.475 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.576 0.512 -7.149 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.618 2.064 -7.247 1.00 0.00 C ATOM 0 H LEU A 46 -9.549 2.809 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.359 3.169 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.571 1.604 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.927 0.498 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.585 0.051 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.382 0.212 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.026 -0.320 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.258 1.362 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.438 1.758 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.287 2.924 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.672 2.335 -6.779 1.00 0.00 H new ATOM 758 N LYS A 47 -12.453 1.625 -3.821 1.00 0.00 N ATOM 759 CA LYS A 47 -13.876 1.146 -3.777 1.00 0.00 C ATOM 760 C LYS A 47 -14.825 2.344 -3.900 1.00 0.00 C ATOM 761 O LYS A 47 -15.909 2.218 -4.441 1.00 0.00 O ATOM 762 CB LYS A 47 -14.070 0.449 -2.420 1.00 0.00 C ATOM 763 CG LYS A 47 -15.081 -0.689 -2.572 1.00 0.00 C ATOM 764 CD LYS A 47 -14.396 -1.900 -3.208 1.00 0.00 C ATOM 765 CE LYS A 47 -13.859 -2.820 -2.110 1.00 0.00 C ATOM 766 NZ LYS A 47 -12.714 -3.538 -2.736 1.00 0.00 N ATOM 0 H LYS A 47 -11.958 1.608 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.090 0.460 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.118 0.059 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.422 1.166 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.489 -0.959 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.918 -0.365 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.102 -2.441 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.581 -1.572 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.538 -2.249 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.624 -3.518 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.292 -4.189 -2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.051 -4.078 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.998 -2.849 -3.043 1.00 0.00 H new ATOM 780 N GLU A 48 -14.439 3.512 -3.407 1.00 0.00 N ATOM 781 CA GLU A 48 -15.358 4.695 -3.520 1.00 0.00 C ATOM 782 C GLU A 48 -15.662 4.983 -5.002 1.00 0.00 C ATOM 783 O GLU A 48 -14.788 4.858 -5.837 1.00 0.00 O ATOM 784 CB GLU A 48 -14.630 5.892 -2.888 1.00 0.00 C ATOM 785 CG GLU A 48 -14.948 5.952 -1.393 1.00 0.00 C ATOM 786 CD GLU A 48 -16.152 6.869 -1.164 1.00 0.00 C ATOM 787 OE1 GLU A 48 -16.164 7.949 -1.730 1.00 0.00 O ATOM 788 OE2 GLU A 48 -17.040 6.475 -0.427 1.00 0.00 O ATOM 0 H GLU A 48 -13.548 3.689 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.304 4.505 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.555 5.798 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.940 6.817 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.162 4.952 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.084 6.323 -0.841 1.00 0.00 H new ATOM 795 N PRO A 49 -16.891 5.358 -5.293 1.00 0.00 N ATOM 796 CA PRO A 49 -17.269 5.655 -6.699 1.00 0.00 C ATOM 797 C PRO A 49 -16.620 6.970 -7.160 1.00 0.00 C ATOM 798 O PRO A 49 -16.150 7.072 -8.277 1.00 0.00 O ATOM 799 CB PRO A 49 -18.789 5.785 -6.646 1.00 0.00 C ATOM 800 CG PRO A 49 -19.094 6.164 -5.233 1.00 0.00 C ATOM 801 CD PRO A 49 -18.025 5.544 -4.372 1.00 0.00 C ATOM 0 HA PRO A 49 -16.939 4.890 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.145 6.543 -7.344 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.275 4.848 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.102 7.248 -5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.081 5.805 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.759 6.192 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.354 4.596 -3.947 1.00 0.00 H new ATOM 809 N LYS A 50 -16.583 7.978 -6.309 1.00 0.00 N ATOM 810 CA LYS A 50 -15.949 9.283 -6.722 1.00 0.00 C ATOM 811 C LYS A 50 -14.484 9.064 -7.147 1.00 0.00 C ATOM 812 O LYS A 50 -13.978 9.771 -8.000 1.00 0.00 O ATOM 813 CB LYS A 50 -16.007 10.211 -5.497 1.00 0.00 C ATOM 814 CG LYS A 50 -15.568 11.620 -5.903 1.00 0.00 C ATOM 815 CD LYS A 50 -15.154 12.405 -4.656 1.00 0.00 C ATOM 816 CE LYS A 50 -14.040 13.389 -5.018 1.00 0.00 C ATOM 817 NZ LYS A 50 -14.232 14.543 -4.095 1.00 0.00 N ATOM 0 H LYS A 50 -16.958 7.956 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.476 9.715 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.019 10.236 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.359 9.830 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.735 11.565 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.382 12.133 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.011 12.943 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.811 11.721 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.056 12.938 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.111 13.701 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.504 15.262 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.174 14.956 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.152 14.217 -3.111 1.00 0.00 H new ATOM 831 N MET A 51 -13.793 8.099 -6.566 1.00 0.00 N ATOM 832 CA MET A 51 -12.360 7.866 -6.962 1.00 0.00 C ATOM 833 C MET A 51 -12.249 6.763 -8.030 1.00 0.00 C ATOM 834 O MET A 51 -11.355 6.800 -8.856 1.00 0.00 O ATOM 835 CB MET A 51 -11.618 7.445 -5.682 1.00 0.00 C ATOM 836 CG MET A 51 -10.618 8.531 -5.282 1.00 0.00 C ATOM 837 SD MET A 51 -9.320 8.657 -6.539 1.00 0.00 S ATOM 838 CE MET A 51 -7.910 8.724 -5.406 1.00 0.00 C ATOM 0 H MET A 51 -14.154 7.473 -5.846 1.00 0.00 H new ATOM 0 HA MET A 51 -11.930 8.769 -7.396 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.332 7.280 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.098 6.501 -5.846 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.129 9.488 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.178 8.295 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.190 9.460 -5.764 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.255 9.007 -4.412 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.434 7.745 -5.359 1.00 0.00 H new ATOM 848 N ALA A 52 -13.135 5.780 -8.036 1.00 0.00 N ATOM 849 CA ALA A 52 -13.037 4.689 -9.079 1.00 0.00 C ATOM 850 C ALA A 52 -12.972 5.307 -10.487 1.00 0.00 C ATOM 851 O ALA A 52 -12.242 4.836 -11.339 1.00 0.00 O ATOM 852 CB ALA A 52 -14.303 3.827 -8.939 1.00 0.00 C ATOM 0 H ALA A 52 -13.908 5.686 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.137 4.091 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.278 3.022 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.344 3.401 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.185 4.445 -9.107 1.00 0.00 H new ATOM 858 N ALA A 53 -13.715 6.368 -10.731 1.00 0.00 N ATOM 859 CA ALA A 53 -13.665 7.013 -12.093 1.00 0.00 C ATOM 860 C ALA A 53 -12.239 7.518 -12.410 1.00 0.00 C ATOM 861 O ALA A 53 -11.889 7.673 -13.564 1.00 0.00 O ATOM 862 CB ALA A 53 -14.644 8.197 -12.058 1.00 0.00 C ATOM 0 H ALA A 53 -14.344 6.810 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.936 6.295 -12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.643 8.698 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.648 7.833 -11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.336 8.901 -11.285 1.00 0.00 H new ATOM 868 N SER A 54 -11.411 7.781 -11.410 1.00 0.00 N ATOM 869 CA SER A 54 -10.022 8.276 -11.698 1.00 0.00 C ATOM 870 C SER A 54 -9.005 7.131 -11.586 1.00 0.00 C ATOM 871 O SER A 54 -8.168 6.961 -12.454 1.00 0.00 O ATOM 872 CB SER A 54 -9.731 9.348 -10.640 1.00 0.00 C ATOM 873 OG SER A 54 -8.749 10.247 -11.140 1.00 0.00 O ATOM 0 H SER A 54 -11.638 7.674 -10.421 1.00 0.00 H new ATOM 0 HA SER A 54 -9.945 8.675 -12.709 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.644 9.889 -10.393 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.379 8.881 -9.720 1.00 0.00 H new ATOM 0 HG SER A 54 -8.562 10.934 -10.467 1.00 0.00 H new ATOM 879 N LEU A 55 -9.059 6.346 -10.529 1.00 0.00 N ATOM 880 CA LEU A 55 -8.068 5.218 -10.394 1.00 0.00 C ATOM 881 C LEU A 55 -8.185 4.249 -11.585 1.00 0.00 C ATOM 882 O LEU A 55 -7.201 3.671 -12.007 1.00 0.00 O ATOM 883 CB LEU A 55 -8.397 4.490 -9.083 1.00 0.00 C ATOM 884 CG LEU A 55 -8.095 5.412 -7.900 1.00 0.00 C ATOM 885 CD1 LEU A 55 -9.080 5.131 -6.765 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.668 5.158 -7.409 1.00 0.00 C ATOM 0 H LEU A 55 -9.732 6.433 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.047 5.601 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.447 4.196 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.809 3.575 -9.005 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.194 6.450 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.863 5.789 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.097 5.311 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.983 4.093 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.451 5.814 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.571 4.119 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.964 5.360 -8.216 1.00 0.00 H new ATOM 898 N LEU A 56 -9.371 4.066 -12.138 1.00 0.00 N ATOM 899 CA LEU A 56 -9.514 3.132 -13.303 1.00 0.00 C ATOM 900 C LEU A 56 -9.664 3.914 -14.629 1.00 0.00 C ATOM 901 O LEU A 56 -10.172 3.386 -15.599 1.00 0.00 O ATOM 902 CB LEU A 56 -10.785 2.317 -13.005 1.00 0.00 C ATOM 903 CG LEU A 56 -11.032 1.287 -14.121 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.335 -0.082 -13.504 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.225 1.729 -14.978 1.00 0.00 C ATOM 0 H LEU A 56 -10.233 4.519 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.636 2.497 -13.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.682 1.808 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.642 2.985 -12.921 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.140 1.217 -14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.509 -0.808 -14.298 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.488 -0.403 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.224 -0.010 -12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.397 0.997 -15.767 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.114 1.804 -14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.012 2.701 -15.424 1.00 0.00 H new ATOM 917 N ASN A 57 -9.222 5.158 -14.702 1.00 0.00 N ATOM 918 CA ASN A 57 -9.367 5.908 -15.987 1.00 0.00 C ATOM 919 C ASN A 57 -8.026 5.963 -16.735 1.00 0.00 C ATOM 920 O ASN A 57 -7.000 6.201 -16.130 1.00 0.00 O ATOM 921 CB ASN A 57 -9.819 7.327 -15.593 1.00 0.00 C ATOM 922 CG ASN A 57 -11.190 7.629 -16.215 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.044 6.766 -16.268 1.00 0.00 O ATOM 924 ND2 ASN A 57 -11.443 8.823 -16.693 1.00 0.00 N ATOM 0 H ASN A 57 -8.777 5.670 -13.940 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.083 5.426 -16.653 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.875 7.412 -14.508 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.086 8.059 -15.933 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.353 9.024 -17.107 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.730 9.551 -16.651 1.00 0.00 H new ATOM 931 N PRO A 58 -8.073 5.778 -18.044 1.00 0.00 N ATOM 932 CA PRO A 58 -6.836 5.857 -18.853 1.00 0.00 C ATOM 933 C PRO A 58 -6.466 7.331 -19.163 1.00 0.00 C ATOM 934 O PRO A 58 -5.475 7.589 -19.819 1.00 0.00 O ATOM 935 CB PRO A 58 -7.199 5.118 -20.137 1.00 0.00 C ATOM 936 CG PRO A 58 -8.688 5.225 -20.256 1.00 0.00 C ATOM 937 CD PRO A 58 -9.250 5.479 -18.879 1.00 0.00 C ATOM 0 HA PRO A 58 -5.973 5.431 -18.341 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.704 5.564 -20.999 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.883 4.076 -20.092 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.959 6.035 -20.933 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.104 4.308 -20.674 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.953 6.312 -18.886 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.790 4.609 -18.505 1.00 0.00 H new ATOM 945 N TYR A 59 -7.243 8.302 -18.699 1.00 0.00 N ATOM 946 CA TYR A 59 -6.909 9.738 -18.976 1.00 0.00 C ATOM 947 C TYR A 59 -6.002 10.324 -17.871 1.00 0.00 C ATOM 948 O TYR A 59 -5.443 11.391 -18.046 1.00 0.00 O ATOM 949 CB TYR A 59 -8.259 10.476 -19.001 1.00 0.00 C ATOM 950 CG TYR A 59 -9.143 9.880 -20.076 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.081 10.375 -21.383 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.021 8.828 -19.766 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.893 9.822 -22.381 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.831 8.277 -20.764 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.768 8.773 -22.072 1.00 0.00 C ATOM 956 OH TYR A 59 -11.568 8.228 -23.055 1.00 0.00 O ATOM 0 H TYR A 59 -8.087 8.154 -18.145 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.364 9.842 -19.914 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.747 10.396 -18.029 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.101 11.537 -19.193 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.407 11.184 -21.622 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.070 8.445 -18.757 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.844 10.205 -23.390 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.506 7.468 -20.526 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.114 7.510 -22.672 1.00 0.00 H new ATOM 966 N VAL A 60 -5.839 9.653 -16.737 1.00 0.00 N ATOM 967 CA VAL A 60 -4.950 10.224 -15.659 1.00 0.00 C ATOM 968 C VAL A 60 -3.467 9.816 -15.850 1.00 0.00 C ATOM 969 O VAL A 60 -2.648 10.094 -14.994 1.00 0.00 O ATOM 970 CB VAL A 60 -5.482 9.670 -14.325 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.693 10.279 -13.164 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.963 10.029 -14.170 1.00 0.00 C ATOM 0 H VAL A 60 -6.273 8.756 -16.518 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.974 11.313 -15.691 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.367 8.586 -14.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.072 9.885 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.638 10.023 -13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.806 11.363 -13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.336 9.635 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.078 11.113 -14.182 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.531 9.595 -14.993 1.00 0.00 H new ATOM 982 N LYS A 61 -3.096 9.170 -16.949 1.00 0.00 N ATOM 983 CA LYS A 61 -1.662 8.776 -17.153 1.00 0.00 C ATOM 984 C LYS A 61 -1.119 8.009 -15.934 1.00 0.00 C ATOM 985 O LYS A 61 -1.847 7.730 -15.000 1.00 0.00 O ATOM 986 CB LYS A 61 -0.904 10.094 -17.337 1.00 0.00 C ATOM 987 CG LYS A 61 0.149 9.933 -18.436 1.00 0.00 C ATOM 988 CD LYS A 61 0.338 11.266 -19.163 1.00 0.00 C ATOM 989 CE LYS A 61 0.655 11.006 -20.637 1.00 0.00 C ATOM 990 NZ LYS A 61 1.244 12.281 -21.135 1.00 0.00 N ATOM 0 H LYS A 61 -3.727 8.904 -17.705 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.548 8.113 -18.010 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.599 10.891 -17.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.426 10.384 -16.401 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.094 9.606 -18.003 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.162 9.163 -19.142 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.565 11.871 -19.076 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.147 11.832 -18.701 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.354 10.177 -20.750 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.244 10.743 -21.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.488 12.181 -22.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.554 13.050 -21.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.102 12.503 -20.591 1.00 0.00 H new ATOM 1004 N ARG A 62 0.156 7.674 -15.931 1.00 0.00 N ATOM 1005 CA ARG A 62 0.735 6.936 -14.763 1.00 0.00 C ATOM 1006 C ARG A 62 1.594 7.889 -13.921 1.00 0.00 C ATOM 1007 O ARG A 62 1.403 8.002 -12.724 1.00 0.00 O ATOM 1008 CB ARG A 62 1.597 5.819 -15.362 1.00 0.00 C ATOM 1009 CG ARG A 62 2.181 4.964 -14.235 1.00 0.00 C ATOM 1010 CD ARG A 62 3.528 4.382 -14.673 1.00 0.00 C ATOM 1011 NE ARG A 62 4.400 5.566 -14.927 1.00 0.00 N ATOM 1012 CZ ARG A 62 5.018 5.689 -16.071 1.00 0.00 C ATOM 1013 NH1 ARG A 62 4.399 5.397 -17.184 1.00 0.00 N ATOM 1014 NH2 ARG A 62 6.254 6.104 -16.103 1.00 0.00 N ATOM 0 H ARG A 62 0.813 7.880 -16.683 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.038 6.532 -14.110 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.997 5.200 -16.029 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.400 6.247 -15.962 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.310 5.568 -13.337 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.491 4.159 -13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.950 3.740 -13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.421 3.772 -15.570 1.00 0.00 H new ATOM 0 HE ARG A 62 4.513 6.279 -14.207 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.432 5.073 -17.160 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.883 5.493 -18.077 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.738 6.332 -15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.737 6.200 -16.996 1.00 0.00 H new ATOM 1028 N SER A 63 2.535 8.589 -14.530 1.00 0.00 N ATOM 1029 CA SER A 63 3.389 9.544 -13.733 1.00 0.00 C ATOM 1030 C SER A 63 2.494 10.577 -13.027 1.00 0.00 C ATOM 1031 O SER A 63 2.728 10.926 -11.885 1.00 0.00 O ATOM 1032 CB SER A 63 4.320 10.249 -14.731 1.00 0.00 C ATOM 1033 OG SER A 63 4.639 11.545 -14.241 1.00 0.00 O ATOM 0 H SER A 63 2.746 8.542 -15.527 1.00 0.00 H new ATOM 0 HA SER A 63 3.963 9.017 -12.971 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.230 9.666 -14.871 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.837 10.325 -15.705 1.00 0.00 H new ATOM 0 HG SER A 63 5.234 11.997 -14.875 1.00 0.00 H new ATOM 1039 N VAL A 64 1.460 11.060 -13.693 1.00 0.00 N ATOM 1040 CA VAL A 64 0.551 12.062 -13.030 1.00 0.00 C ATOM 1041 C VAL A 64 -0.159 11.397 -11.840 1.00 0.00 C ATOM 1042 O VAL A 64 -0.294 11.991 -10.787 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.473 12.503 -14.092 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.433 13.531 -13.488 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.264 13.135 -15.276 1.00 0.00 C ATOM 0 H VAL A 64 1.210 10.809 -14.650 1.00 0.00 H new ATOM 0 HA VAL A 64 1.106 12.921 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.038 11.635 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.156 13.841 -14.242 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.958 13.086 -12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.869 14.400 -13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.459 13.448 -16.029 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.829 14.002 -14.932 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.948 12.406 -15.710 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.608 10.165 -11.993 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.303 9.479 -10.845 1.00 0.00 C ATOM 1057 C LYS A 65 -0.332 9.332 -9.662 1.00 0.00 C ATOM 1058 O LYS A 65 -0.715 9.515 -8.521 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.735 8.093 -11.349 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.769 7.499 -10.391 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.612 6.458 -11.129 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.793 7.150 -11.815 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.531 6.056 -12.506 1.00 0.00 N ATOM 0 H LYS A 65 -0.525 9.614 -12.847 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.164 10.054 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.157 8.174 -12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.869 7.434 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.268 7.039 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.410 8.288 -9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.002 5.938 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.975 5.705 -10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.428 7.658 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.451 7.905 -12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.504 6.366 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.051 5.824 -13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.554 5.214 -11.896 1.00 0.00 H new ATOM 1077 N VAL A 66 0.922 9.010 -9.918 1.00 0.00 N ATOM 1078 CA VAL A 66 1.899 8.865 -8.778 1.00 0.00 C ATOM 1079 C VAL A 66 2.085 10.226 -8.091 1.00 0.00 C ATOM 1080 O VAL A 66 2.081 10.312 -6.876 1.00 0.00 O ATOM 1081 CB VAL A 66 3.229 8.382 -9.384 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.264 8.193 -8.272 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.008 7.048 -10.101 1.00 0.00 C ATOM 0 H VAL A 66 1.306 8.844 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 66 1.541 8.155 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 66 3.591 9.125 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.204 7.851 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.424 9.141 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.901 7.452 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.949 6.705 -10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.644 6.308 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.273 7.179 -10.895 1.00 0.00 H new ATOM 1093 N LYS A 67 2.239 11.292 -8.852 1.00 0.00 N ATOM 1094 CA LYS A 67 2.412 12.644 -8.207 1.00 0.00 C ATOM 1095 C LYS A 67 1.153 12.989 -7.397 1.00 0.00 C ATOM 1096 O LYS A 67 1.242 13.524 -6.308 1.00 0.00 O ATOM 1097 CB LYS A 67 2.612 13.664 -9.341 1.00 0.00 C ATOM 1098 CG LYS A 67 3.562 14.768 -8.874 1.00 0.00 C ATOM 1099 CD LYS A 67 2.750 15.934 -8.307 1.00 0.00 C ATOM 1100 CE LYS A 67 3.700 17.055 -7.876 1.00 0.00 C ATOM 1101 NZ LYS A 67 2.894 18.303 -7.981 1.00 0.00 N ATOM 0 H LYS A 67 2.253 11.288 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 67 3.266 12.654 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.019 13.168 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.653 14.094 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.241 14.381 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.177 15.110 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.051 16.303 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.157 15.598 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.057 16.900 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.579 17.097 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.477 19.117 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.573 18.427 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.068 18.237 -7.353 1.00 0.00 H new ATOM 1115 N SER A 68 -0.024 12.681 -7.914 1.00 0.00 N ATOM 1116 CA SER A 68 -1.282 12.997 -7.143 1.00 0.00 C ATOM 1117 C SER A 68 -1.255 12.294 -5.775 1.00 0.00 C ATOM 1118 O SER A 68 -1.713 12.843 -4.790 1.00 0.00 O ATOM 1119 CB SER A 68 -2.459 12.474 -7.981 1.00 0.00 C ATOM 1120 OG SER A 68 -2.804 13.443 -8.963 1.00 0.00 O ATOM 0 H SER A 68 -0.167 12.233 -8.819 1.00 0.00 H new ATOM 0 HA SER A 68 -1.373 14.069 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.189 11.533 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.315 12.270 -7.338 1.00 0.00 H new ATOM 0 HG SER A 68 -3.553 13.112 -9.500 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.722 11.086 -5.697 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.679 10.377 -4.366 1.00 0.00 C ATOM 1128 C LEU A 69 0.133 11.209 -3.364 1.00 0.00 C ATOM 1129 O LEU A 69 -0.294 11.424 -2.245 1.00 0.00 O ATOM 1130 CB LEU A 69 0.003 9.020 -4.602 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.002 8.036 -5.206 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.292 6.724 -5.544 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.123 7.764 -4.198 1.00 0.00 C ATOM 0 H LEU A 69 -0.323 10.570 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.681 10.240 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.855 9.142 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.390 8.628 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.427 8.464 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.008 6.023 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.505 6.916 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.134 6.296 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.838 7.063 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.699 7.337 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.631 8.698 -3.957 1.00 0.00 H new ATOM 1145 N SER A 70 1.299 11.688 -3.755 1.00 0.00 N ATOM 1146 CA SER A 70 2.119 12.518 -2.799 1.00 0.00 C ATOM 1147 C SER A 70 1.329 13.773 -2.400 1.00 0.00 C ATOM 1148 O SER A 70 1.309 14.154 -1.245 1.00 0.00 O ATOM 1149 CB SER A 70 3.405 12.913 -3.540 1.00 0.00 C ATOM 1150 OG SER A 70 4.412 13.237 -2.590 1.00 0.00 O ATOM 0 H SER A 70 1.712 11.544 -4.676 1.00 0.00 H new ATOM 0 HA SER A 70 2.353 11.962 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.739 12.093 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.216 13.766 -4.192 1.00 0.00 H new ATOM 0 HG SER A 70 5.235 13.488 -3.059 1.00 0.00 H new ATOM 1156 N ASP A 71 0.659 14.412 -3.342 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.144 15.636 -2.981 1.00 0.00 C ATOM 1158 C ASP A 71 -1.376 15.250 -2.139 1.00 0.00 C ATOM 1159 O ASP A 71 -1.874 16.060 -1.378 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.583 16.287 -4.303 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.642 17.806 -4.131 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.556 18.272 -3.471 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.228 18.476 -4.663 1.00 0.00 O ATOM 0 H ASP A 71 0.633 14.145 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 71 0.452 16.326 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.116 16.028 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.560 15.906 -4.601 1.00 0.00 H new ATOM 1168 N MET A 72 -1.851 14.019 -2.226 1.00 0.00 N ATOM 1169 CA MET A 72 -3.021 13.615 -1.377 1.00 0.00 C ATOM 1170 C MET A 72 -2.460 13.125 -0.042 1.00 0.00 C ATOM 1171 O MET A 72 -2.935 13.493 1.015 1.00 0.00 O ATOM 1172 CB MET A 72 -3.739 12.479 -2.121 1.00 0.00 C ATOM 1173 CG MET A 72 -5.102 12.228 -1.474 1.00 0.00 C ATOM 1174 SD MET A 72 -5.861 10.762 -2.217 1.00 0.00 S ATOM 1175 CE MET A 72 -4.594 9.571 -1.716 1.00 0.00 C ATOM 0 H MET A 72 -1.483 13.291 -2.839 1.00 0.00 H new ATOM 0 HA MET A 72 -3.721 14.430 -1.195 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.866 12.741 -3.171 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.137 11.571 -2.089 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.986 12.086 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.748 13.095 -1.613 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.985 8.559 -1.818 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.715 9.686 -2.351 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.317 9.750 -0.677 1.00 0.00 H new ATOM 1185 N THR A 73 -1.413 12.322 -0.086 1.00 0.00 N ATOM 1186 CA THR A 73 -0.776 11.839 1.185 1.00 0.00 C ATOM 1187 C THR A 73 -0.335 13.066 2.022 1.00 0.00 C ATOM 1188 O THR A 73 -0.454 13.062 3.233 1.00 0.00 O ATOM 1189 CB THR A 73 0.430 10.973 0.727 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.030 9.671 0.396 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.490 10.866 1.819 1.00 0.00 C ATOM 0 H THR A 73 -0.977 11.984 -0.944 1.00 0.00 H new ATOM 0 HA THR A 73 -1.445 11.254 1.817 1.00 0.00 H new ATOM 0 HB THR A 73 0.882 11.453 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.727 9.121 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.318 10.253 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.856 11.862 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.054 10.407 2.706 1.00 0.00 H new ATOM 1199 N ALA A 74 0.160 14.117 1.387 1.00 0.00 N ATOM 1200 CA ALA A 74 0.583 15.329 2.179 1.00 0.00 C ATOM 1201 C ALA A 74 -0.643 15.957 2.865 1.00 0.00 C ATOM 1202 O ALA A 74 -0.557 16.414 3.990 1.00 0.00 O ATOM 1203 CB ALA A 74 1.199 16.323 1.180 1.00 0.00 C ATOM 0 H ALA A 74 0.287 14.186 0.377 1.00 0.00 H new ATOM 0 HA ALA A 74 1.302 15.062 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.521 17.219 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.058 15.863 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.456 16.593 0.430 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.786 15.977 2.206 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.012 16.571 2.849 1.00 0.00 C ATOM 1211 C LYS A 75 -3.726 15.525 3.727 1.00 0.00 C ATOM 1212 O LYS A 75 -4.341 15.872 4.718 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.928 17.023 1.702 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.468 18.387 1.186 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.076 19.492 2.050 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.482 19.822 1.543 1.00 0.00 C ATOM 1217 NZ LYS A 75 -6.245 20.224 2.757 1.00 0.00 N ATOM 0 H LYS A 75 -1.922 15.613 1.263 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.748 17.407 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.905 16.291 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.960 17.083 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.380 18.449 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.771 18.515 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.119 19.172 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.448 20.382 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.458 20.626 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.939 18.960 1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.221 20.466 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.257 19.436 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.791 21.051 3.194 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.653 14.249 3.383 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.340 13.208 4.234 1.00 0.00 C ATOM 1233 C GLU A 76 -3.541 12.891 5.517 1.00 0.00 C ATOM 1234 O GLU A 76 -4.010 12.140 6.352 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.460 11.947 3.364 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.708 11.162 3.773 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.241 10.386 2.567 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -5.589 9.438 2.164 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.293 10.753 2.068 1.00 0.00 O ATOM 0 H GLU A 76 -3.158 13.890 2.567 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.314 13.574 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.520 12.223 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.572 11.326 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.468 10.475 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.472 11.843 4.147 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.343 13.435 5.701 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.552 13.132 6.938 1.00 0.00 C ATOM 1248 C LYS A 77 -1.348 11.616 7.071 1.00 0.00 C ATOM 1249 O LYS A 77 -1.561 11.050 8.127 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.375 13.679 8.117 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.815 15.037 8.547 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.274 16.114 7.562 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.202 17.203 7.460 1.00 0.00 C ATOM 1254 NZ LYS A 77 -1.962 18.480 7.360 1.00 0.00 N ATOM 0 H LYS A 77 -1.890 14.071 5.045 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.563 13.589 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.421 13.781 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.342 12.980 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.156 15.281 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.726 14.999 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.454 15.673 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.217 16.547 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.550 17.199 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.567 17.052 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.296 19.275 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.569 18.458 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.552 18.600 8.208 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.942 10.952 6.004 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.730 9.459 6.089 1.00 0.00 C ATOM 1270 C PHE A 78 0.293 9.130 7.190 1.00 0.00 C ATOM 1271 O PHE A 78 0.659 9.986 7.974 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.221 8.979 4.710 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.321 8.206 4.008 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.996 7.171 4.676 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.672 8.531 2.692 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -3.016 6.469 4.028 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.693 7.825 2.045 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.365 6.795 2.712 1.00 0.00 C ATOM 0 H PHE A 78 -0.751 11.369 5.093 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.661 8.953 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.082 9.833 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.659 8.348 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.727 6.918 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.155 9.327 2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.535 5.674 4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.962 8.076 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.153 6.251 2.212 1.00 0.00 H new ATOM 1288 N SER A 79 0.749 7.898 7.267 1.00 0.00 N ATOM 1289 CA SER A 79 1.723 7.531 8.326 1.00 0.00 C ATOM 1290 C SER A 79 3.085 7.242 7.696 1.00 0.00 C ATOM 1291 O SER A 79 3.225 7.312 6.490 1.00 0.00 O ATOM 1292 CB SER A 79 1.141 6.269 8.971 1.00 0.00 C ATOM 1293 OG SER A 79 0.677 6.580 10.279 1.00 0.00 O ATOM 0 H SER A 79 0.484 7.139 6.639 1.00 0.00 H new ATOM 0 HA SER A 79 1.873 8.325 9.057 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.322 5.882 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.900 5.488 9.018 1.00 0.00 H new ATOM 0 HG SER A 79 -0.194 7.025 10.220 1.00 0.00 H new ATOM 1299 N PRO A 80 4.054 6.911 8.519 1.00 0.00 N ATOM 1300 CA PRO A 80 5.400 6.601 7.984 1.00 0.00 C ATOM 1301 C PRO A 80 5.412 5.294 7.167 1.00 0.00 C ATOM 1302 O PRO A 80 6.358 5.043 6.441 1.00 0.00 O ATOM 1303 CB PRO A 80 6.265 6.485 9.230 1.00 0.00 C ATOM 1304 CG PRO A 80 5.320 6.133 10.328 1.00 0.00 C ATOM 1305 CD PRO A 80 4.013 6.794 9.991 1.00 0.00 C ATOM 0 HA PRO A 80 5.754 7.364 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.031 5.719 9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.782 7.422 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.200 5.052 10.406 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.695 6.482 11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.164 6.196 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.922 7.770 10.469 1.00 0.00 H new ATOM 1313 N LEU A 81 4.383 4.468 7.243 1.00 0.00 N ATOM 1314 CA LEU A 81 4.378 3.220 6.431 1.00 0.00 C ATOM 1315 C LEU A 81 3.313 3.299 5.320 1.00 0.00 C ATOM 1316 O LEU A 81 3.065 2.316 4.645 1.00 0.00 O ATOM 1317 CB LEU A 81 4.038 2.099 7.419 1.00 0.00 C ATOM 1318 CG LEU A 81 5.328 1.462 7.969 1.00 0.00 C ATOM 1319 CD1 LEU A 81 6.114 0.810 6.829 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.201 2.529 8.642 1.00 0.00 C ATOM 0 H LEU A 81 3.560 4.611 7.829 1.00 0.00 H new ATOM 0 HA LEU A 81 5.335 3.054 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.442 2.497 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.432 1.340 6.924 1.00 0.00 H new ATOM 0 HG LEU A 81 5.056 0.705 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.025 0.362 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.503 0.038 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.374 1.566 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.110 2.066 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.465 3.296 7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.650 2.984 9.465 1.00 0.00 H new ATOM 1332 N THR A 82 2.674 4.444 5.116 1.00 0.00 N ATOM 1333 CA THR A 82 1.642 4.526 4.047 1.00 0.00 C ATOM 1334 C THR A 82 2.043 5.480 2.899 1.00 0.00 C ATOM 1335 O THR A 82 1.310 5.602 1.934 1.00 0.00 O ATOM 1336 CB THR A 82 0.369 5.010 4.754 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.373 4.578 6.121 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.835 4.422 4.015 1.00 0.00 C ATOM 0 H THR A 82 2.830 5.304 5.642 1.00 0.00 H new ATOM 0 HA THR A 82 1.506 3.558 3.566 1.00 0.00 H new ATOM 0 HB THR A 82 0.319 6.099 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.406 3.599 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.755 4.751 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.828 4.762 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.781 3.334 4.040 1.00 0.00 H new ATOM 1346 N SER A 83 3.201 6.123 2.947 1.00 0.00 N ATOM 1347 CA SER A 83 3.600 7.003 1.806 1.00 0.00 C ATOM 1348 C SER A 83 4.755 6.336 1.037 1.00 0.00 C ATOM 1349 O SER A 83 5.660 6.986 0.552 1.00 0.00 O ATOM 1350 CB SER A 83 4.037 8.330 2.428 1.00 0.00 C ATOM 1351 OG SER A 83 5.417 8.260 2.761 1.00 0.00 O ATOM 0 H SER A 83 3.869 6.072 3.716 1.00 0.00 H new ATOM 0 HA SER A 83 2.788 7.166 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.861 9.148 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.446 8.539 3.320 1.00 0.00 H new ATOM 0 HG SER A 83 5.944 8.126 1.946 1.00 0.00 H new ATOM 1357 N ASN A 84 4.697 5.033 0.904 1.00 0.00 N ATOM 1358 CA ASN A 84 5.740 4.271 0.150 1.00 0.00 C ATOM 1359 C ASN A 84 4.992 3.191 -0.629 1.00 0.00 C ATOM 1360 O ASN A 84 4.946 3.209 -1.846 1.00 0.00 O ATOM 1361 CB ASN A 84 6.656 3.659 1.212 1.00 0.00 C ATOM 1362 CG ASN A 84 7.882 4.558 1.412 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.847 4.453 0.681 1.00 0.00 O ATOM 1364 ND2 ASN A 84 7.891 5.447 2.377 1.00 0.00 N ATOM 0 H ASN A 84 3.954 4.454 1.295 1.00 0.00 H new ATOM 0 HA ASN A 84 6.331 4.871 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.116 3.548 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.970 2.661 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.706 6.046 2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.083 5.539 2.993 1.00 0.00 H new ATOM 1371 N LEU A 85 4.317 2.298 0.079 1.00 0.00 N ATOM 1372 CA LEU A 85 3.473 1.285 -0.627 1.00 0.00 C ATOM 1373 C LEU A 85 2.410 2.043 -1.463 1.00 0.00 C ATOM 1374 O LEU A 85 1.948 1.539 -2.471 1.00 0.00 O ATOM 1375 CB LEU A 85 2.812 0.416 0.478 1.00 0.00 C ATOM 1376 CG LEU A 85 1.688 -0.463 -0.103 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.232 -1.330 -1.245 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.131 -1.372 0.997 1.00 0.00 C ATOM 0 H LEU A 85 4.319 2.234 1.097 1.00 0.00 H new ATOM 0 HA LEU A 85 4.046 0.649 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.566 -0.216 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.407 1.061 1.258 1.00 0.00 H new ATOM 0 HG LEU A 85 0.898 0.182 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.429 -1.947 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.627 -0.688 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.028 -1.972 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.336 -1.994 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.928 -2.008 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.732 -0.761 1.807 1.00 0.00 H new ATOM 1390 N ILE A 86 2.027 3.262 -1.067 1.00 0.00 N ATOM 1391 CA ILE A 86 1.014 4.010 -1.885 1.00 0.00 C ATOM 1392 C ILE A 86 1.574 4.267 -3.296 1.00 0.00 C ATOM 1393 O ILE A 86 0.851 4.184 -4.272 1.00 0.00 O ATOM 1394 CB ILE A 86 0.715 5.338 -1.149 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.443 6.054 -1.852 1.00 0.00 C ATOM 1396 CG2 ILE A 86 1.948 6.252 -1.149 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.322 6.750 -0.811 1.00 0.00 C ATOM 0 H ILE A 86 2.368 3.746 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 86 0.094 3.436 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 86 0.449 5.112 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.055 6.784 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.035 5.338 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.714 7.179 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.773 5.750 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.234 6.477 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.145 7.259 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.721 6.009 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.727 7.478 -0.260 1.00 0.00 H new ATOM 1409 N ASN A 87 2.858 4.561 -3.419 1.00 0.00 N ATOM 1410 CA ASN A 87 3.430 4.797 -4.791 1.00 0.00 C ATOM 1411 C ASN A 87 3.405 3.476 -5.570 1.00 0.00 C ATOM 1412 O ASN A 87 2.904 3.417 -6.676 1.00 0.00 O ATOM 1413 CB ASN A 87 4.877 5.278 -4.598 1.00 0.00 C ATOM 1414 CG ASN A 87 4.889 6.798 -4.390 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.018 7.491 -4.878 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.841 7.354 -3.681 1.00 0.00 N ATOM 0 H ASN A 87 3.518 4.646 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 87 2.857 5.538 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.325 4.779 -3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.478 5.015 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.849 8.364 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.574 6.776 -3.269 1.00 0.00 H new ATOM 1423 N LEU A 88 3.926 2.407 -4.994 1.00 0.00 N ATOM 1424 CA LEU A 88 3.912 1.076 -5.711 1.00 0.00 C ATOM 1425 C LEU A 88 2.482 0.739 -6.165 1.00 0.00 C ATOM 1426 O LEU A 88 2.282 0.218 -7.246 1.00 0.00 O ATOM 1427 CB LEU A 88 4.401 0.022 -4.703 1.00 0.00 C ATOM 1428 CG LEU A 88 5.911 -0.166 -4.853 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.521 -0.505 -3.491 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.186 -1.310 -5.832 1.00 0.00 C ATOM 0 H LEU A 88 4.356 2.396 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 88 4.550 1.101 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.162 0.337 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.887 -0.924 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 88 6.356 0.754 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.597 -0.639 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.324 0.308 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.077 -1.425 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.262 -1.445 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.741 -2.229 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.751 -1.071 -6.802 1.00 0.00 H new ATOM 1442 N LEU A 89 1.482 1.040 -5.353 1.00 0.00 N ATOM 1443 CA LEU A 89 0.069 0.733 -5.776 1.00 0.00 C ATOM 1444 C LEU A 89 -0.248 1.468 -7.086 1.00 0.00 C ATOM 1445 O LEU A 89 -0.885 0.920 -7.967 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.855 1.228 -4.651 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.102 0.090 -3.663 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.883 0.618 -2.457 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.910 -1.009 -4.356 1.00 0.00 C ATOM 0 H LEU A 89 1.581 1.475 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.070 -0.335 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.402 2.077 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.801 1.575 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.148 -0.314 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.059 -0.195 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.308 1.404 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.839 1.021 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.090 -1.825 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.864 -0.602 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.353 -1.384 -5.214 1.00 0.00 H new ATOM 1461 N ALA A 90 0.205 2.696 -7.232 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.059 3.438 -8.501 1.00 0.00 C ATOM 1463 C ALA A 90 1.230 3.550 -9.338 1.00 0.00 C ATOM 1464 O ALA A 90 1.385 4.481 -10.106 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.541 4.825 -8.068 1.00 0.00 C ATOM 0 H ALA A 90 0.741 3.208 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.796 2.930 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.755 5.428 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.446 4.725 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.234 5.311 -7.476 1.00 0.00 H new ATOM 1471 N GLU A 91 2.158 2.612 -9.209 1.00 0.00 N ATOM 1472 CA GLU A 91 3.418 2.700 -10.023 1.00 0.00 C ATOM 1473 C GLU A 91 3.329 1.780 -11.250 1.00 0.00 C ATOM 1474 O GLU A 91 3.709 2.169 -12.339 1.00 0.00 O ATOM 1475 CB GLU A 91 4.555 2.243 -9.101 1.00 0.00 C ATOM 1476 CG GLU A 91 5.799 3.095 -9.359 1.00 0.00 C ATOM 1477 CD GLU A 91 6.575 3.276 -8.053 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.962 2.275 -7.474 1.00 0.00 O ATOM 1479 OE2 GLU A 91 6.770 4.413 -7.656 1.00 0.00 O ATOM 0 H GLU A 91 2.094 1.807 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 91 3.582 3.714 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.250 2.333 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.779 1.191 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.432 2.616 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.510 4.066 -9.760 1.00 0.00 H new ATOM 1486 N ASN A 92 2.837 0.567 -11.093 1.00 0.00 N ATOM 1487 CA ASN A 92 2.741 -0.351 -12.270 1.00 0.00 C ATOM 1488 C ASN A 92 1.274 -0.694 -12.588 1.00 0.00 C ATOM 1489 O ASN A 92 0.985 -1.777 -13.062 1.00 0.00 O ATOM 1490 CB ASN A 92 3.503 -1.609 -11.852 1.00 0.00 C ATOM 1491 CG ASN A 92 4.981 -1.264 -11.636 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.606 -0.674 -12.496 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.576 -1.603 -10.519 1.00 0.00 N ATOM 0 H ASN A 92 2.503 0.181 -10.210 1.00 0.00 H new ATOM 0 HA ASN A 92 3.153 0.104 -13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.076 -2.018 -10.936 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.406 -2.377 -12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.559 -1.372 -10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.056 -2.098 -9.794 1.00 0.00 H new ATOM 1500 N GLY A 93 0.342 0.206 -12.333 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.086 -0.098 -12.625 1.00 0.00 C ATOM 1502 C GLY A 93 -1.585 -1.106 -11.591 1.00 0.00 C ATOM 1503 O GLY A 93 -2.185 -2.107 -11.937 1.00 0.00 O ATOM 0 H GLY A 93 0.517 1.130 -11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.683 0.813 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.189 -0.504 -13.631 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.336 -0.859 -10.320 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.797 -1.823 -9.279 1.00 0.00 C ATOM 1509 C ARG A 94 -3.021 -1.278 -8.523 1.00 0.00 C ATOM 1510 O ARG A 94 -3.190 -1.552 -7.349 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.612 -2.005 -8.326 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.662 -3.404 -7.708 1.00 0.00 C ATOM 1513 CD ARG A 94 0.758 -3.873 -7.379 1.00 0.00 C ATOM 1514 NE ARG A 94 1.125 -4.794 -8.490 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.745 -4.332 -9.542 1.00 0.00 C ATOM 1516 NH1 ARG A 94 1.066 -3.783 -10.512 1.00 0.00 N ATOM 1517 NH2 ARG A 94 3.045 -4.421 -9.624 1.00 0.00 N ATOM 0 H ARG A 94 -0.839 -0.040 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.105 -2.769 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.326 -1.867 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.643 -1.248 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.270 -3.391 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.135 -4.101 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.448 -3.031 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.793 -4.382 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 94 0.892 -5.785 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.050 -3.715 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.551 -3.422 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.576 -4.851 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.530 -4.060 -10.446 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.892 -0.533 -9.182 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.109 -0.018 -8.473 1.00 0.00 C ATOM 1533 C LEU A 95 -6.354 -0.821 -8.897 1.00 0.00 C ATOM 1534 O LEU A 95 -7.462 -0.323 -8.850 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.234 1.454 -8.882 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.184 2.282 -8.138 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.171 3.708 -8.690 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.526 2.320 -6.645 1.00 0.00 C ATOM 0 H LEU A 95 -3.811 -0.266 -10.163 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.026 -0.120 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.097 1.556 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.233 1.823 -8.651 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.203 1.829 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.423 4.297 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.928 3.685 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.153 4.160 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.778 2.910 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.508 2.772 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.535 1.305 -6.248 1.00 0.00 H new ATOM 1550 N THR A 96 -6.184 -2.074 -9.273 1.00 0.00 N ATOM 1551 CA THR A 96 -7.357 -2.918 -9.652 1.00 0.00 C ATOM 1552 C THR A 96 -7.563 -3.945 -8.536 1.00 0.00 C ATOM 1553 O THR A 96 -8.631 -4.039 -7.962 1.00 0.00 O ATOM 1554 CB THR A 96 -6.978 -3.602 -10.968 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.984 -2.834 -11.633 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.219 -3.710 -11.850 1.00 0.00 C ATOM 0 H THR A 96 -5.280 -2.543 -9.332 1.00 0.00 H new ATOM 0 HA THR A 96 -8.279 -2.350 -9.778 1.00 0.00 H new ATOM 0 HB THR A 96 -6.585 -4.598 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.740 -3.273 -12.475 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.956 -4.196 -12.789 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.980 -4.298 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.608 -2.713 -12.054 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.522 -4.678 -8.178 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.639 -5.645 -7.052 1.00 0.00 C ATOM 1566 C ASN A 97 -5.978 -5.034 -5.799 1.00 0.00 C ATOM 1567 O ASN A 97 -5.374 -5.737 -5.011 1.00 0.00 O ATOM 1568 CB ASN A 97 -5.884 -6.901 -7.502 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.603 -7.530 -8.703 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.463 -8.371 -8.533 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.290 -7.156 -9.921 1.00 0.00 N ATOM 0 H ASN A 97 -5.605 -4.640 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.675 -5.879 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.859 -6.645 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.828 -7.617 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.768 -7.571 -10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.569 -6.450 -10.068 1.00 0.00 H new ATOM 1578 N THR A 98 -6.087 -3.721 -5.604 1.00 0.00 N ATOM 1579 CA THR A 98 -5.459 -3.091 -4.395 1.00 0.00 C ATOM 1580 C THR A 98 -6.093 -3.565 -3.061 1.00 0.00 C ATOM 1581 O THR A 98 -5.373 -3.669 -2.086 1.00 0.00 O ATOM 1582 CB THR A 98 -5.580 -1.558 -4.557 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.812 -0.920 -3.546 1.00 0.00 O ATOM 1584 CG2 THR A 98 -7.039 -1.114 -4.438 1.00 0.00 C ATOM 0 H THR A 98 -6.578 -3.078 -6.225 1.00 0.00 H new ATOM 0 HA THR A 98 -4.415 -3.398 -4.337 1.00 0.00 H new ATOM 0 HB THR A 98 -5.210 -1.280 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.884 0.052 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.101 -0.032 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.631 -1.597 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.426 -1.396 -3.459 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.396 -3.847 -3.011 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.986 -4.303 -1.718 1.00 0.00 C ATOM 1594 C PRO A 99 -7.329 -5.613 -1.254 1.00 0.00 C ATOM 1595 O PRO A 99 -7.144 -5.819 -0.069 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.473 -4.478 -2.030 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.519 -4.675 -3.504 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.434 -3.797 -4.065 1.00 0.00 C ATOM 0 HA PRO A 99 -7.827 -3.600 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.892 -5.334 -1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.049 -3.603 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.351 -5.720 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.494 -4.398 -3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.062 -4.173 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.786 -2.780 -4.239 1.00 0.00 H new ATOM 1606 N ALA A 100 -6.944 -6.494 -2.164 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.265 -7.772 -1.723 1.00 0.00 C ATOM 1608 C ALA A 100 -5.024 -7.428 -0.872 1.00 0.00 C ATOM 1609 O ALA A 100 -4.735 -8.095 0.103 1.00 0.00 O ATOM 1610 CB ALA A 100 -5.841 -8.516 -2.999 1.00 0.00 C ATOM 0 H ALA A 100 -7.067 -6.388 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.932 -8.388 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.345 -9.448 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.722 -8.736 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.155 -7.893 -3.573 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.301 -6.376 -1.222 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.093 -5.991 -0.404 1.00 0.00 C ATOM 1618 C VAL A 101 -3.525 -5.630 1.035 1.00 0.00 C ATOM 1619 O VAL A 101 -2.776 -5.834 1.971 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.456 -4.761 -1.091 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.257 -4.265 -0.274 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -1.971 -5.138 -2.494 1.00 0.00 C ATOM 0 H VAL A 101 -4.492 -5.777 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.382 -6.815 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.208 -3.975 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.815 -3.399 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.589 -3.985 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.514 -5.059 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.524 -4.266 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.228 -5.933 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.815 -5.484 -3.090 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.718 -5.090 1.222 1.00 0.00 N ATOM 1633 CA ILE A 102 -5.156 -4.723 2.616 1.00 0.00 C ATOM 1634 C ILE A 102 -5.632 -5.977 3.368 1.00 0.00 C ATOM 1635 O ILE A 102 -5.271 -6.185 4.512 1.00 0.00 O ATOM 1636 CB ILE A 102 -6.318 -3.720 2.469 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.873 -2.502 1.639 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.770 -3.254 3.856 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -4.677 -1.811 2.302 1.00 0.00 C ATOM 0 H ILE A 102 -5.394 -4.892 0.484 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.333 -4.288 3.182 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.145 -4.212 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.605 -2.819 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.700 -1.798 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.591 -2.545 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.104 -4.113 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.937 -2.772 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.375 -0.952 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.958 -1.476 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.846 -2.513 2.375 1.00 0.00 H new ATOM 1651 N SER A 103 -6.437 -6.816 2.743 1.00 0.00 N ATOM 1652 CA SER A 103 -6.919 -8.054 3.457 1.00 0.00 C ATOM 1653 C SER A 103 -5.721 -8.940 3.817 1.00 0.00 C ATOM 1654 O SER A 103 -5.590 -9.378 4.945 1.00 0.00 O ATOM 1655 CB SER A 103 -7.856 -8.793 2.490 1.00 0.00 C ATOM 1656 OG SER A 103 -8.537 -7.844 1.680 1.00 0.00 O ATOM 0 H SER A 103 -6.776 -6.701 1.788 1.00 0.00 H new ATOM 0 HA SER A 103 -7.441 -7.801 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.285 -9.479 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.574 -9.394 3.049 1.00 0.00 H new ATOM 0 HG SER A 103 -9.135 -8.312 1.060 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.833 -9.201 2.877 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.632 -10.058 3.202 1.00 0.00 C ATOM 1664 C ALA A 104 -2.849 -9.442 4.378 1.00 0.00 C ATOM 1665 O ALA A 104 -2.304 -10.154 5.201 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.755 -10.089 1.941 1.00 0.00 C ATOM 0 H ALA A 104 -4.883 -8.866 1.915 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.934 -11.064 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.871 -10.699 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.322 -10.516 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.449 -9.075 1.686 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.794 -8.124 4.474 1.00 0.00 N ATOM 1673 CA PHE A 105 -2.045 -7.482 5.616 1.00 0.00 C ATOM 1674 C PHE A 105 -2.607 -7.979 6.956 1.00 0.00 C ATOM 1675 O PHE A 105 -1.860 -8.256 7.878 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.273 -5.967 5.489 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.289 -5.222 6.359 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.387 -5.290 7.756 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.283 -4.454 5.768 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.479 -4.591 8.555 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.621 -3.753 6.568 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.524 -3.822 7.959 1.00 0.00 C ATOM 0 H PHE A 105 -3.229 -7.474 3.820 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.984 -7.730 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.158 -5.659 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.293 -5.718 5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.165 -5.883 8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.205 -4.403 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.552 -4.645 9.631 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.396 -3.157 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.226 -3.280 8.576 1.00 0.00 H new ATOM 1692 N SER A 106 -3.915 -8.099 7.074 1.00 0.00 N ATOM 1693 CA SER A 106 -4.497 -8.587 8.376 1.00 0.00 C ATOM 1694 C SER A 106 -4.102 -10.052 8.606 1.00 0.00 C ATOM 1695 O SER A 106 -3.792 -10.441 9.717 1.00 0.00 O ATOM 1696 CB SER A 106 -6.023 -8.457 8.258 1.00 0.00 C ATOM 1697 OG SER A 106 -6.638 -9.160 9.330 1.00 0.00 O ATOM 0 H SER A 106 -4.593 -7.885 6.342 1.00 0.00 H new ATOM 0 HA SER A 106 -4.124 -8.005 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.313 -7.407 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.361 -8.859 7.303 1.00 0.00 H new ATOM 0 HG SER A 106 -7.612 -9.078 9.259 1.00 0.00 H new ATOM 1703 N THR A 107 -4.101 -10.870 7.571 1.00 0.00 N ATOM 1704 CA THR A 107 -3.708 -12.309 7.767 1.00 0.00 C ATOM 1705 C THR A 107 -2.207 -12.404 8.060 1.00 0.00 C ATOM 1706 O THR A 107 -1.790 -13.200 8.882 1.00 0.00 O ATOM 1707 CB THR A 107 -4.048 -13.050 6.461 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.321 -12.624 5.996 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.075 -14.556 6.720 1.00 0.00 C ATOM 0 H THR A 107 -4.350 -10.609 6.617 1.00 0.00 H new ATOM 0 HA THR A 107 -4.240 -12.751 8.609 1.00 0.00 H new ATOM 0 HB THR A 107 -3.292 -12.827 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.539 -13.093 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.316 -15.080 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.098 -14.881 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.831 -14.782 7.472 1.00 0.00 H new ATOM 1717 N MET A 108 -1.388 -11.596 7.415 1.00 0.00 N ATOM 1718 CA MET A 108 0.083 -11.664 7.708 1.00 0.00 C ATOM 1719 C MET A 108 0.352 -11.087 9.104 1.00 0.00 C ATOM 1720 O MET A 108 1.195 -11.585 9.827 1.00 0.00 O ATOM 1721 CB MET A 108 0.792 -10.825 6.642 1.00 0.00 C ATOM 1722 CG MET A 108 0.596 -11.467 5.265 1.00 0.00 C ATOM 1723 SD MET A 108 1.448 -13.066 5.211 1.00 0.00 S ATOM 1724 CE MET A 108 -0.013 -14.108 5.440 1.00 0.00 C ATOM 0 H MET A 108 -1.668 -10.909 6.715 1.00 0.00 H new ATOM 0 HA MET A 108 0.445 -12.692 7.689 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.395 -9.810 6.641 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.855 -10.751 6.871 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.467 -11.603 5.064 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.986 -10.810 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 108 0.104 -14.705 6.344 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.898 -13.478 5.533 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.127 -14.769 4.581 1.00 0.00 H new ATOM 1734 N MET A 109 -0.363 -10.046 9.503 1.00 0.00 N ATOM 1735 CA MET A 109 -0.132 -9.468 10.874 1.00 0.00 C ATOM 1736 C MET A 109 -0.339 -10.559 11.935 1.00 0.00 C ATOM 1737 O MET A 109 0.389 -10.619 12.903 1.00 0.00 O ATOM 1738 CB MET A 109 -1.160 -8.341 11.064 1.00 0.00 C ATOM 1739 CG MET A 109 -0.856 -7.583 12.359 1.00 0.00 C ATOM 1740 SD MET A 109 -1.751 -8.348 13.734 1.00 0.00 S ATOM 1741 CE MET A 109 -2.753 -6.909 14.182 1.00 0.00 C ATOM 0 H MET A 109 -1.082 -9.582 8.948 1.00 0.00 H new ATOM 0 HA MET A 109 0.883 -9.085 10.976 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.128 -7.658 10.215 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.167 -8.756 11.101 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.216 -7.596 12.557 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.149 -6.538 12.258 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.394 -7.161 15.027 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.099 -6.082 14.457 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.370 -6.617 13.332 1.00 0.00 H new ATOM 1751 N SER A 110 -1.306 -11.440 11.768 1.00 0.00 N ATOM 1752 CA SER A 110 -1.496 -12.523 12.808 1.00 0.00 C ATOM 1753 C SER A 110 -0.191 -13.321 13.000 1.00 0.00 C ATOM 1754 O SER A 110 0.077 -13.806 14.083 1.00 0.00 O ATOM 1755 CB SER A 110 -2.614 -13.443 12.297 1.00 0.00 C ATOM 1756 OG SER A 110 -3.794 -12.678 12.091 1.00 0.00 O ATOM 0 H SER A 110 -1.956 -11.461 10.982 1.00 0.00 H new ATOM 0 HA SER A 110 -1.759 -12.090 13.773 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.310 -13.922 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.804 -14.239 13.017 1.00 0.00 H new ATOM 0 HG SER A 110 -4.509 -13.262 11.763 1.00 0.00 H new ATOM 1762 N VAL A 111 0.629 -13.451 11.974 1.00 0.00 N ATOM 1763 CA VAL A 111 1.918 -14.210 12.149 1.00 0.00 C ATOM 1764 C VAL A 111 2.997 -13.334 12.824 1.00 0.00 C ATOM 1765 O VAL A 111 3.999 -13.852 13.283 1.00 0.00 O ATOM 1766 CB VAL A 111 2.375 -14.632 10.742 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.644 -15.480 10.846 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.271 -15.454 10.070 1.00 0.00 C ATOM 0 H VAL A 111 0.466 -13.072 11.041 1.00 0.00 H new ATOM 0 HA VAL A 111 1.766 -15.075 12.794 1.00 0.00 H new ATOM 0 HB VAL A 111 2.580 -13.741 10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.966 -15.778 9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.433 -14.898 11.323 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.439 -16.370 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.595 -15.753 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.065 -16.343 10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.366 -14.852 9.992 1.00 0.00 H new ATOM 1778 N HIS A 112 2.815 -12.023 12.912 1.00 0.00 N ATOM 1779 CA HIS A 112 3.847 -11.177 13.579 1.00 0.00 C ATOM 1780 C HIS A 112 3.592 -11.124 15.109 1.00 0.00 C ATOM 1781 O HIS A 112 4.496 -10.838 15.871 1.00 0.00 O ATOM 1782 CB HIS A 112 3.747 -9.787 12.885 1.00 0.00 C ATOM 1783 CG HIS A 112 3.040 -8.764 13.742 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.727 -8.898 14.154 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.479 -7.601 14.280 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.429 -7.833 14.912 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.466 -7.003 15.025 1.00 0.00 N ATOM 0 H HIS A 112 2.004 -11.520 12.552 1.00 0.00 H new ATOM 0 HA HIS A 112 4.858 -11.572 13.477 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.749 -9.429 12.649 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.216 -9.894 11.939 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.099 -9.668 13.923 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.472 -7.196 14.150 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.467 -7.668 15.374 1.00 0.00 H new ATOM 1795 N ARG A 113 2.376 -11.396 15.567 1.00 0.00 N ATOM 1796 CA ARG A 113 2.119 -11.347 17.045 1.00 0.00 C ATOM 1797 C ARG A 113 2.310 -12.741 17.675 1.00 0.00 C ATOM 1798 O ARG A 113 2.708 -12.850 18.819 1.00 0.00 O ATOM 1799 CB ARG A 113 0.667 -10.878 17.212 1.00 0.00 C ATOM 1800 CG ARG A 113 0.512 -10.151 18.549 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.471 -8.986 18.391 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.318 -9.028 19.615 1.00 0.00 N ATOM 1803 CZ ARG A 113 -2.602 -9.239 19.512 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -3.419 -8.232 19.373 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -3.067 -10.458 19.549 1.00 0.00 N ATOM 0 H ARG A 113 1.573 -11.644 14.989 1.00 0.00 H new ATOM 0 HA ARG A 113 2.814 -10.672 17.544 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.392 -10.215 16.392 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.009 -11.732 17.171 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.152 -10.843 19.311 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.480 -9.780 18.887 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.055 -8.035 18.307 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.074 -9.098 17.490 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.895 -8.892 20.533 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.055 -7.280 19.345 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.422 -8.397 19.292 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.427 -11.245 19.658 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.070 -10.624 19.469 1.00 0.00 H new ATOM 1819 N GLY A 114 2.027 -13.809 16.949 1.00 0.00 N ATOM 1820 CA GLY A 114 2.195 -15.179 17.527 1.00 0.00 C ATOM 1821 C GLY A 114 3.640 -15.392 18.015 1.00 0.00 C ATOM 1822 O GLY A 114 3.862 -16.084 18.991 1.00 0.00 O ATOM 0 H GLY A 114 1.689 -13.784 15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.502 -15.316 18.357 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.945 -15.929 16.776 1.00 0.00 H new ATOM 2000 N GLU B 7 9.146 -8.601 -7.163 1.00 0.00 N ATOM 2001 CA GLU B 7 9.124 -8.108 -5.746 1.00 0.00 C ATOM 2002 C GLU B 7 10.017 -6.864 -5.602 1.00 0.00 C ATOM 2003 O GLU B 7 10.750 -6.733 -4.640 1.00 0.00 O ATOM 2004 CB GLU B 7 9.663 -9.265 -4.895 1.00 0.00 C ATOM 2005 CG GLU B 7 8.877 -9.345 -3.585 1.00 0.00 C ATOM 2006 CD GLU B 7 9.532 -10.372 -2.657 1.00 0.00 C ATOM 2007 OE1 GLU B 7 10.053 -11.352 -3.162 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.500 -10.159 -1.456 1.00 0.00 O ATOM 0 HA GLU B 7 8.121 -7.818 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.576 -10.204 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.722 -9.115 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.852 -8.368 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU B 7 7.844 -9.628 -3.786 1.00 0.00 H new ATOM 2015 N VAL B 8 9.960 -5.950 -6.551 1.00 0.00 N ATOM 2016 CA VAL B 8 10.820 -4.713 -6.447 1.00 0.00 C ATOM 2017 C VAL B 8 10.541 -3.964 -5.130 1.00 0.00 C ATOM 2018 O VAL B 8 11.423 -3.319 -4.591 1.00 0.00 O ATOM 2019 CB VAL B 8 10.488 -3.816 -7.658 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.814 -4.561 -8.958 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.001 -3.436 -7.641 1.00 0.00 C ATOM 0 H VAL B 8 9.367 -6.002 -7.379 1.00 0.00 H new ATOM 0 HA VAL B 8 11.876 -4.984 -6.448 1.00 0.00 H new ATOM 0 HB VAL B 8 11.088 -2.908 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.578 -3.925 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.874 -4.814 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL B 8 10.222 -5.474 -9.012 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.777 -2.803 -8.500 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.394 -4.340 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.774 -2.895 -6.722 1.00 0.00 H new ATOM 2031 N SER B 9 9.337 -4.044 -4.593 1.00 0.00 N ATOM 2032 CA SER B 9 9.057 -3.330 -3.296 1.00 0.00 C ATOM 2033 C SER B 9 9.798 -4.033 -2.147 1.00 0.00 C ATOM 2034 O SER B 9 10.294 -3.386 -1.243 1.00 0.00 O ATOM 2035 CB SER B 9 7.539 -3.394 -3.070 1.00 0.00 C ATOM 2036 OG SER B 9 7.187 -4.691 -2.606 1.00 0.00 O ATOM 0 H SER B 9 8.552 -4.562 -4.988 1.00 0.00 H new ATOM 0 HA SER B 9 9.398 -2.295 -3.332 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.236 -2.641 -2.343 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.012 -3.172 -3.998 1.00 0.00 H new ATOM 0 HG SER B 9 6.219 -4.734 -2.459 1.00 0.00 H new ATOM 2042 N SER B 10 9.882 -5.351 -2.171 1.00 0.00 N ATOM 2043 CA SER B 10 10.604 -6.070 -1.062 1.00 0.00 C ATOM 2044 C SER B 10 12.098 -5.711 -1.084 1.00 0.00 C ATOM 2045 O SER B 10 12.681 -5.433 -0.052 1.00 0.00 O ATOM 2046 CB SER B 10 10.418 -7.573 -1.313 1.00 0.00 C ATOM 2047 OG SER B 10 11.295 -8.304 -0.465 1.00 0.00 O ATOM 0 H SER B 10 9.489 -5.950 -2.897 1.00 0.00 H new ATOM 0 HA SER B 10 10.208 -5.784 -0.088 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.384 -7.860 -1.120 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.625 -7.807 -2.357 1.00 0.00 H new ATOM 0 HG SER B 10 11.032 -9.248 -0.458 1.00 0.00 H new ATOM 2053 N ILE B 11 12.728 -5.711 -2.245 1.00 0.00 N ATOM 2054 CA ILE B 11 14.195 -5.361 -2.287 1.00 0.00 C ATOM 2055 C ILE B 11 14.414 -3.905 -1.829 1.00 0.00 C ATOM 2056 O ILE B 11 15.433 -3.598 -1.236 1.00 0.00 O ATOM 2057 CB ILE B 11 14.675 -5.565 -3.739 1.00 0.00 C ATOM 2058 CG1 ILE B 11 16.182 -5.307 -3.814 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.952 -4.604 -4.688 1.00 0.00 C ATOM 2060 CD1 ILE B 11 16.724 -5.834 -5.143 1.00 0.00 C ATOM 0 H ILE B 11 12.302 -5.933 -3.145 1.00 0.00 H new ATOM 0 HA ILE B 11 14.765 -5.998 -1.610 1.00 0.00 H new ATOM 0 HB ILE B 11 14.453 -6.589 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE B 11 16.384 -4.240 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.688 -5.798 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.305 -4.764 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.878 -4.787 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.157 -3.576 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE B 11 17.797 -5.650 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.535 -6.905 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE B 11 16.227 -5.323 -5.967 1.00 0.00 H new ATOM 2072 N LEU B 12 13.476 -3.008 -2.079 1.00 0.00 N ATOM 2073 CA LEU B 12 13.674 -1.587 -1.623 1.00 0.00 C ATOM 2074 C LEU B 12 13.516 -1.515 -0.097 1.00 0.00 C ATOM 2075 O LEU B 12 14.280 -0.847 0.574 1.00 0.00 O ATOM 2076 CB LEU B 12 12.594 -0.741 -2.313 1.00 0.00 C ATOM 2077 CG LEU B 12 13.100 0.692 -2.487 1.00 0.00 C ATOM 2078 CD1 LEU B 12 12.517 1.288 -3.770 1.00 0.00 C ATOM 2079 CD2 LEU B 12 12.664 1.535 -1.288 1.00 0.00 C ATOM 0 H LEU B 12 12.601 -3.194 -2.569 1.00 0.00 H new ATOM 0 HA LEU B 12 14.668 -1.220 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.346 -1.170 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU B 12 11.680 -0.745 -1.720 1.00 0.00 H new ATOM 0 HG LEU B 12 14.188 0.688 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.878 2.309 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.828 0.687 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU B 12 11.429 1.293 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU B 12 13.024 2.556 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU B 12 11.576 1.539 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.081 1.111 -0.374 1.00 0.00 H new ATOM 2091 N GLU B 13 12.541 -2.207 0.461 1.00 0.00 N ATOM 2092 CA GLU B 13 12.370 -2.169 1.959 1.00 0.00 C ATOM 2093 C GLU B 13 13.630 -2.728 2.643 1.00 0.00 C ATOM 2094 O GLU B 13 14.033 -2.245 3.683 1.00 0.00 O ATOM 2095 CB GLU B 13 11.148 -3.042 2.298 1.00 0.00 C ATOM 2096 CG GLU B 13 9.895 -2.161 2.371 1.00 0.00 C ATOM 2097 CD GLU B 13 9.589 -1.824 3.833 1.00 0.00 C ATOM 2098 OE1 GLU B 13 9.564 -2.740 4.638 1.00 0.00 O ATOM 2099 OE2 GLU B 13 9.383 -0.657 4.121 1.00 0.00 O ATOM 0 H GLU B 13 11.869 -2.785 -0.043 1.00 0.00 H new ATOM 0 HA GLU B 13 12.222 -1.148 2.310 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.018 -3.815 1.540 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.304 -3.551 3.249 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.048 -1.245 1.800 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.048 -2.678 1.921 1.00 0.00 H new ATOM 2106 N GLU B 14 14.263 -3.736 2.069 1.00 0.00 N ATOM 2107 CA GLU B 14 15.506 -4.298 2.715 1.00 0.00 C ATOM 2108 C GLU B 14 16.572 -3.195 2.869 1.00 0.00 C ATOM 2109 O GLU B 14 17.302 -3.174 3.842 1.00 0.00 O ATOM 2110 CB GLU B 14 16.028 -5.407 1.787 1.00 0.00 C ATOM 2111 CG GLU B 14 16.795 -6.444 2.611 1.00 0.00 C ATOM 2112 CD GLU B 14 16.980 -7.718 1.786 1.00 0.00 C ATOM 2113 OE1 GLU B 14 16.004 -8.424 1.595 1.00 0.00 O ATOM 2114 OE2 GLU B 14 18.096 -7.966 1.358 1.00 0.00 O ATOM 0 H GLU B 14 13.980 -4.186 1.199 1.00 0.00 H new ATOM 0 HA GLU B 14 15.285 -4.689 3.708 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.196 -5.883 1.268 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.678 -4.981 1.023 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.766 -6.045 2.905 1.00 0.00 H new ATOM 0 HG3 GLU B 14 16.252 -6.668 3.529 1.00 0.00 H new