USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 92 THR OG1 : rot 130:sc= 1.21 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.46! C(o=-1.2!,f=-9.4!) USER MOD Set 2.1: A 84 THR OG1 : rot -160:sc= -5.88! USER MOD Set 2.2: A 99 SER OG : rot -120:sc= -3.22! USER MOD Set 3.1: A 82 ASN : amide:sc= -12! C(o=-11!,f=-23!) USER MOD Set 3.2: A 106 THR OG1 : rot -103:sc= 0.975 USER MOD Set 4.1: A 42 THR OG1 : rot 53:sc= -1.94! USER MOD Set 4.2: A 46 SER OG : rot -150:sc= -4.02! USER MOD Set 5.1: A 26 TYR OH : rot 70:sc= 0.0566 USER MOD Set 5.2: A 41 ASN : amide:sc= -19.9! C(o=-20!,f=-11!) USER MOD Single : A 20 CYS SG : rot 23:sc= -15.6! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0301) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00715 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -126:sc= 0.767 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc=-1.03e-05 X(o=-1e-05,f=-0.23) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 157:sc= -6.58! (180deg=-9.41!) USER MOD Single : A 89 SER OG : rot 66:sc= 1.08 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= -0.0715 (180deg=-0.58) USER MOD Single : A 95 GLN : amide:sc= -7! C(o=-7!,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -45:sc= -0.535 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 16:sc= -1.49! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.664 -7.232 -1.185 1.00 0.00 N ATOM 160 CA PRO A 12 -6.365 -6.599 -1.328 1.00 0.00 C ATOM 161 C PRO A 12 -5.978 -5.885 -0.029 1.00 0.00 C ATOM 162 O PRO A 12 -6.516 -6.158 1.026 1.00 0.00 O ATOM 163 CB PRO A 12 -6.564 -5.587 -2.449 1.00 0.00 C ATOM 164 CG PRO A 12 -8.088 -5.244 -2.378 1.00 0.00 C ATOM 165 CD PRO A 12 -8.793 -6.491 -1.766 1.00 0.00 C ATOM 0 HA PRO A 12 -5.571 -7.313 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.947 -4.700 -2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.293 -6.006 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.259 -4.361 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.483 -5.023 -3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.529 -6.213 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.317 -7.075 -2.523 1.00 0.00 H new ATOM 173 N VAL A 13 -5.055 -4.965 -0.103 1.00 0.00 N ATOM 174 CA VAL A 13 -4.637 -4.222 1.119 1.00 0.00 C ATOM 175 C VAL A 13 -4.998 -2.745 0.951 1.00 0.00 C ATOM 176 O VAL A 13 -4.151 -1.941 0.625 1.00 0.00 O ATOM 177 CB VAL A 13 -3.127 -4.359 1.312 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.727 -3.762 2.662 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.741 -5.840 1.276 1.00 0.00 C ATOM 0 H VAL A 13 -4.571 -4.696 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.148 -4.631 1.990 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.610 -3.828 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.650 -3.860 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.001 -2.707 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.244 -4.292 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.664 -5.939 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.259 -6.371 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.025 -6.267 0.314 1.00 0.00 H new ATOM 189 N PRO A 14 -6.250 -2.432 1.177 1.00 0.00 N ATOM 190 CA PRO A 14 -6.736 -1.068 1.048 1.00 0.00 C ATOM 191 C PRO A 14 -5.782 -0.100 1.750 1.00 0.00 C ATOM 192 O PRO A 14 -5.432 -0.290 2.897 1.00 0.00 O ATOM 193 CB PRO A 14 -8.096 -1.084 1.737 1.00 0.00 C ATOM 194 CG PRO A 14 -8.560 -2.567 1.595 1.00 0.00 C ATOM 195 CD PRO A 14 -7.260 -3.423 1.583 1.00 0.00 C ATOM 0 HA PRO A 14 -6.804 -0.740 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.020 -0.786 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.795 -0.397 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.209 -2.854 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.131 -2.711 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.043 -3.850 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.324 -4.253 0.880 1.00 0.00 H new ATOM 203 N LEU A 15 -5.357 0.943 1.079 1.00 0.00 N ATOM 204 CA LEU A 15 -4.433 1.905 1.743 1.00 0.00 C ATOM 205 C LEU A 15 -5.061 3.303 1.826 1.00 0.00 C ATOM 206 O LEU A 15 -4.430 4.274 1.480 1.00 0.00 O ATOM 207 CB LEU A 15 -3.118 1.987 0.963 1.00 0.00 C ATOM 208 CG LEU A 15 -2.499 0.593 0.862 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.029 0.341 -0.570 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.303 0.500 1.811 1.00 0.00 C ATOM 0 H LEU A 15 -5.607 1.165 0.115 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.242 1.547 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.298 2.390 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.428 2.668 1.462 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.244 -0.154 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.588 -0.654 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.879 0.409 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.284 1.088 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.859 -0.493 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.561 1.249 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.635 0.678 2.834 1.00 0.00 H new ATOM 222 N PRO A 16 -6.275 3.372 2.311 1.00 0.00 N ATOM 223 CA PRO A 16 -6.964 4.636 2.485 1.00 0.00 C ATOM 224 C PRO A 16 -5.995 5.728 2.965 1.00 0.00 C ATOM 225 O PRO A 16 -6.178 6.896 2.687 1.00 0.00 O ATOM 226 CB PRO A 16 -8.019 4.342 3.541 1.00 0.00 C ATOM 227 CG PRO A 16 -8.297 2.808 3.385 1.00 0.00 C ATOM 228 CD PRO A 16 -7.043 2.187 2.695 1.00 0.00 C ATOM 0 HA PRO A 16 -7.396 5.007 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.660 4.582 4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.922 4.930 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.471 2.346 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.192 2.637 2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.484 1.543 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.314 1.581 1.830 1.00 0.00 H new ATOM 236 N GLU A 17 -4.966 5.362 3.685 1.00 0.00 N ATOM 237 CA GLU A 17 -3.996 6.387 4.177 1.00 0.00 C ATOM 238 C GLU A 17 -3.475 7.209 2.994 1.00 0.00 C ATOM 239 O GLU A 17 -3.465 8.423 3.021 1.00 0.00 O ATOM 240 CB GLU A 17 -2.821 5.689 4.869 1.00 0.00 C ATOM 241 CG GLU A 17 -2.235 6.614 5.936 1.00 0.00 C ATOM 242 CD GLU A 17 -1.699 5.777 7.099 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.505 5.295 7.877 1.00 0.00 O ATOM 244 OE2 GLU A 17 -0.491 5.633 7.192 1.00 0.00 O ATOM 0 H GLU A 17 -4.755 4.401 3.953 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.496 7.047 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.155 4.757 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.056 5.430 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.434 7.218 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.999 7.305 6.293 1.00 0.00 H new ATOM 251 N LEU A 18 -3.043 6.548 1.956 1.00 0.00 N ATOM 252 CA LEU A 18 -2.519 7.266 0.763 1.00 0.00 C ATOM 253 C LEU A 18 -3.688 7.596 -0.179 1.00 0.00 C ATOM 254 O LEU A 18 -4.513 6.747 -0.452 1.00 0.00 O ATOM 255 CB LEU A 18 -1.540 6.344 0.034 1.00 0.00 C ATOM 256 CG LEU A 18 -0.240 7.089 -0.258 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.845 6.618 0.712 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.195 6.789 -1.691 1.00 0.00 C ATOM 0 H LEU A 18 -3.031 5.531 1.884 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.020 8.186 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.335 5.463 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.984 5.992 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.394 8.161 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.774 7.149 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.531 6.822 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.004 5.547 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.123 7.318 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.353 5.717 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.580 7.118 -2.383 1.00 0.00 H new ATOM 270 N PRO A 19 -3.730 8.824 -0.643 1.00 0.00 N ATOM 271 CA PRO A 19 -4.789 9.274 -1.537 1.00 0.00 C ATOM 272 C PRO A 19 -4.607 8.678 -2.938 1.00 0.00 C ATOM 273 O PRO A 19 -3.556 8.175 -3.279 1.00 0.00 O ATOM 274 CB PRO A 19 -4.634 10.790 -1.577 1.00 0.00 C ATOM 275 CG PRO A 19 -3.125 11.010 -1.248 1.00 0.00 C ATOM 276 CD PRO A 19 -2.724 9.843 -0.302 1.00 0.00 C ATOM 0 HA PRO A 19 -5.777 8.964 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.895 11.195 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.279 11.279 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.522 11.003 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.966 11.975 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.708 9.494 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.773 10.132 0.748 1.00 0.00 H new ATOM 284 N CYS A 20 -5.630 8.733 -3.749 1.00 0.00 N ATOM 285 CA CYS A 20 -5.525 8.173 -5.126 1.00 0.00 C ATOM 286 C CYS A 20 -5.667 9.294 -6.159 1.00 0.00 C ATOM 287 O CYS A 20 -4.691 9.791 -6.686 1.00 0.00 O ATOM 288 CB CYS A 20 -6.635 7.142 -5.341 1.00 0.00 C ATOM 289 SG CYS A 20 -5.896 5.552 -5.789 1.00 0.00 S ATOM 0 H CYS A 20 -6.535 9.142 -3.516 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.552 7.697 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.230 7.037 -4.434 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.311 7.477 -6.128 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.665 5.513 -5.373 1.00 0.00 H new ATOM 295 N GLU A 21 -6.875 9.696 -6.456 1.00 0.00 N ATOM 296 CA GLU A 21 -7.073 10.781 -7.459 1.00 0.00 C ATOM 297 C GLU A 21 -7.294 12.112 -6.737 1.00 0.00 C ATOM 298 O GLU A 21 -8.147 12.894 -7.106 1.00 0.00 O ATOM 299 CB GLU A 21 -8.297 10.461 -8.324 1.00 0.00 C ATOM 300 CG GLU A 21 -8.134 11.112 -9.698 1.00 0.00 C ATOM 301 CD GLU A 21 -9.419 10.926 -10.508 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.219 10.087 -10.127 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.582 11.626 -11.493 1.00 0.00 O ATOM 0 H GLU A 21 -7.731 9.320 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.189 10.854 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.408 9.382 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.203 10.828 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.913 12.173 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.291 10.666 -10.226 1.00 0.00 H new ATOM 310 N LYS A 22 -6.536 12.374 -5.706 1.00 0.00 N ATOM 311 CA LYS A 22 -6.711 13.652 -4.965 1.00 0.00 C ATOM 312 C LYS A 22 -8.186 13.816 -4.603 1.00 0.00 C ATOM 313 O LYS A 22 -8.666 14.909 -4.374 1.00 0.00 O ATOM 314 CB LYS A 22 -6.267 14.821 -5.846 1.00 0.00 C ATOM 315 CG LYS A 22 -5.402 15.780 -5.026 1.00 0.00 C ATOM 316 CD LYS A 22 -6.283 16.880 -4.429 1.00 0.00 C ATOM 317 CE LYS A 22 -5.414 17.854 -3.633 1.00 0.00 C ATOM 318 NZ LYS A 22 -5.694 17.694 -2.178 1.00 0.00 N ATOM 0 H LYS A 22 -5.806 11.759 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.107 13.638 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.705 14.451 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.138 15.346 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.892 15.237 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.630 16.220 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.809 17.411 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.042 16.441 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.359 17.665 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.619 18.879 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.103 18.356 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.698 17.895 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.477 16.719 -1.888 1.00 0.00 H new ATOM 332 N SER A 23 -8.908 12.732 -4.553 1.00 0.00 N ATOM 333 CA SER A 23 -10.356 12.812 -4.213 1.00 0.00 C ATOM 334 C SER A 23 -10.641 11.931 -2.996 1.00 0.00 C ATOM 335 O SER A 23 -9.754 11.602 -2.234 1.00 0.00 O ATOM 336 CB SER A 23 -11.181 12.317 -5.401 1.00 0.00 C ATOM 337 OG SER A 23 -12.188 13.273 -5.704 1.00 0.00 O ATOM 0 H SER A 23 -8.557 11.791 -4.733 1.00 0.00 H new ATOM 0 HA SER A 23 -10.622 13.844 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.537 12.163 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.636 11.354 -5.167 1.00 0.00 H new ATOM 0 HG SER A 23 -12.718 12.960 -6.466 1.00 0.00 H new ATOM 343 N ASP A 24 -11.871 11.535 -2.813 1.00 0.00 N ATOM 344 CA ASP A 24 -12.205 10.666 -1.652 1.00 0.00 C ATOM 345 C ASP A 24 -11.744 9.239 -1.946 1.00 0.00 C ATOM 346 O ASP A 24 -11.896 8.347 -1.135 1.00 0.00 O ATOM 347 CB ASP A 24 -13.717 10.677 -1.420 1.00 0.00 C ATOM 348 CG ASP A 24 -14.441 10.571 -2.763 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.137 9.654 -3.508 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.289 11.410 -3.023 1.00 0.00 O ATOM 0 H ASP A 24 -12.657 11.776 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.702 11.039 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.002 9.846 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.010 11.594 -0.908 1.00 0.00 H new ATOM 355 N ALA A 25 -11.181 9.015 -3.103 1.00 0.00 N ATOM 356 CA ALA A 25 -10.711 7.648 -3.448 1.00 0.00 C ATOM 357 C ALA A 25 -9.350 7.403 -2.799 1.00 0.00 C ATOM 358 O ALA A 25 -8.659 8.328 -2.420 1.00 0.00 O ATOM 359 CB ALA A 25 -10.583 7.521 -4.968 1.00 0.00 C ATOM 0 H ALA A 25 -11.027 9.722 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.427 6.912 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.238 6.519 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.554 7.699 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.866 8.255 -5.335 1.00 0.00 H new ATOM 365 N TYR A 26 -8.957 6.168 -2.666 1.00 0.00 N ATOM 366 CA TYR A 26 -7.639 5.879 -2.039 1.00 0.00 C ATOM 367 C TYR A 26 -6.868 4.876 -2.894 1.00 0.00 C ATOM 368 O TYR A 26 -7.237 4.583 -4.013 1.00 0.00 O ATOM 369 CB TYR A 26 -7.847 5.303 -0.640 1.00 0.00 C ATOM 370 CG TYR A 26 -9.143 4.530 -0.581 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.340 5.195 -0.292 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.145 3.148 -0.806 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.540 4.477 -0.231 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.345 2.431 -0.742 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.544 3.095 -0.455 1.00 0.00 C ATOM 376 OH TYR A 26 -12.727 2.388 -0.392 1.00 0.00 O ATOM 0 H TYR A 26 -9.489 5.350 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.069 6.805 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.014 4.650 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.862 6.108 0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.338 6.261 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.221 2.636 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.464 4.990 -0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.346 1.365 -0.914 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.292 2.626 -1.157 1.00 0.00 H new ATOM 386 N PHE A 27 -5.788 4.357 -2.379 1.00 0.00 N ATOM 387 CA PHE A 27 -4.979 3.385 -3.168 1.00 0.00 C ATOM 388 C PHE A 27 -5.048 1.989 -2.538 1.00 0.00 C ATOM 389 O PHE A 27 -4.248 1.635 -1.699 1.00 0.00 O ATOM 390 CB PHE A 27 -3.521 3.853 -3.193 1.00 0.00 C ATOM 391 CG PHE A 27 -3.168 4.354 -4.572 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.647 3.689 -5.708 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.359 5.487 -4.714 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.316 4.158 -6.984 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.028 5.955 -5.990 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.506 5.290 -7.124 1.00 0.00 C ATOM 0 H PHE A 27 -5.430 4.564 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.378 3.333 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.371 4.645 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.861 3.031 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.272 2.815 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.990 6.000 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.686 3.646 -7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.404 6.829 -6.100 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.249 5.651 -8.109 1.00 0.00 H new ATOM 406 N VAL A 28 -5.988 1.185 -2.946 1.00 0.00 N ATOM 407 CA VAL A 28 -6.082 -0.188 -2.382 1.00 0.00 C ATOM 408 C VAL A 28 -5.024 -1.073 -3.049 1.00 0.00 C ATOM 409 O VAL A 28 -5.070 -1.329 -4.235 1.00 0.00 O ATOM 410 CB VAL A 28 -7.479 -0.758 -2.645 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.472 -2.274 -2.424 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.480 -0.112 -1.685 1.00 0.00 C ATOM 0 H VAL A 28 -6.694 1.419 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.909 -0.159 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.766 -0.545 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.468 -2.674 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.760 -2.738 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.183 -2.490 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.475 -0.516 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.188 -0.325 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.491 0.966 -1.843 1.00 0.00 H new ATOM 422 N LEU A 29 -4.064 -1.533 -2.293 1.00 0.00 N ATOM 423 CA LEU A 29 -2.992 -2.391 -2.875 1.00 0.00 C ATOM 424 C LEU A 29 -3.612 -3.556 -3.644 1.00 0.00 C ATOM 425 O LEU A 29 -4.029 -4.542 -3.070 1.00 0.00 O ATOM 426 CB LEU A 29 -2.110 -2.947 -1.752 1.00 0.00 C ATOM 427 CG LEU A 29 -0.718 -3.289 -2.300 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.006 -4.210 -1.318 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.848 -4.007 -3.647 1.00 0.00 C ATOM 0 H LEU A 29 -3.976 -1.351 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.390 -1.788 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.024 -2.215 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.570 -3.837 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.154 -2.366 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.995 -4.452 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.108 -3.708 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.568 -5.127 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.144 -4.246 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.418 -4.927 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.363 -3.359 -4.356 1.00 0.00 H new ATOM 441 N ARG A 30 -3.655 -3.462 -4.943 1.00 0.00 N ATOM 442 CA ARG A 30 -4.222 -4.577 -5.749 1.00 0.00 C ATOM 443 C ARG A 30 -3.067 -5.376 -6.351 1.00 0.00 C ATOM 444 O ARG A 30 -2.090 -4.819 -6.813 1.00 0.00 O ATOM 445 CB ARG A 30 -5.101 -4.013 -6.867 1.00 0.00 C ATOM 446 CG ARG A 30 -6.575 -4.188 -6.494 1.00 0.00 C ATOM 447 CD ARG A 30 -7.087 -2.914 -5.821 1.00 0.00 C ATOM 448 NE ARG A 30 -8.381 -2.510 -6.442 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.316 -3.400 -6.636 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.088 -3.761 -5.648 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.480 -3.927 -7.818 1.00 0.00 N ATOM 0 H ARG A 30 -3.322 -2.662 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.832 -5.222 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.877 -2.958 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.889 -4.526 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.164 -4.402 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.692 -5.039 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.221 -3.083 -4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.355 -2.114 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.535 -1.539 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.961 -3.348 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.819 -4.456 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.878 -3.644 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.211 -4.622 -7.969 1.00 0.00 H new ATOM 465 N ASP A 31 -3.161 -6.675 -6.344 1.00 0.00 N ATOM 466 CA ASP A 31 -2.057 -7.500 -6.909 1.00 0.00 C ATOM 467 C ASP A 31 -2.473 -8.044 -8.276 1.00 0.00 C ATOM 468 O ASP A 31 -3.421 -8.795 -8.395 1.00 0.00 O ATOM 469 CB ASP A 31 -1.757 -8.665 -5.964 1.00 0.00 C ATOM 470 CG ASP A 31 -2.938 -9.636 -5.959 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.860 -9.412 -5.191 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.901 -10.587 -6.721 1.00 0.00 O ATOM 0 H ASP A 31 -3.952 -7.201 -5.973 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.164 -6.885 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.850 -9.180 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.575 -8.292 -4.956 1.00 0.00 H new ATOM 477 N GLY A 32 -1.770 -7.674 -9.312 1.00 0.00 N ATOM 478 CA GLY A 32 -2.126 -8.172 -10.671 1.00 0.00 C ATOM 479 C GLY A 32 -1.685 -9.630 -10.813 1.00 0.00 C ATOM 480 O GLY A 32 -1.272 -10.258 -9.858 1.00 0.00 O ATOM 0 H GLY A 32 -0.965 -7.049 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.201 -8.089 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.643 -7.559 -11.432 1.00 0.00 H new ATOM 484 N ALA A 33 -1.769 -10.173 -11.996 1.00 0.00 N ATOM 485 CA ALA A 33 -1.353 -11.591 -12.195 1.00 0.00 C ATOM 486 C ALA A 33 0.128 -11.640 -12.570 1.00 0.00 C ATOM 487 O ALA A 33 0.532 -12.374 -13.450 1.00 0.00 O ATOM 488 CB ALA A 33 -2.185 -12.213 -13.320 1.00 0.00 C ATOM 0 H ALA A 33 -2.107 -9.698 -12.833 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.513 -12.150 -11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.882 -13.250 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.241 -12.178 -13.053 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.025 -11.655 -14.242 1.00 0.00 H new ATOM 494 N ALA A 34 0.943 -10.864 -11.910 1.00 0.00 N ATOM 495 CA ALA A 34 2.399 -10.867 -12.229 1.00 0.00 C ATOM 496 C ALA A 34 3.148 -10.028 -11.192 1.00 0.00 C ATOM 497 O ALA A 34 4.141 -10.453 -10.635 1.00 0.00 O ATOM 498 CB ALA A 34 2.617 -10.272 -13.621 1.00 0.00 C ATOM 0 H ALA A 34 0.664 -10.228 -11.163 1.00 0.00 H new ATOM 0 HA ALA A 34 2.774 -11.890 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.682 -10.274 -13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.082 -10.869 -14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.243 -9.248 -13.642 1.00 0.00 H new ATOM 504 N GLY A 35 2.681 -8.839 -10.928 1.00 0.00 N ATOM 505 CA GLY A 35 3.366 -7.973 -9.927 1.00 0.00 C ATOM 506 C GLY A 35 2.320 -7.254 -9.072 1.00 0.00 C ATOM 507 O GLY A 35 1.132 -7.394 -9.282 1.00 0.00 O ATOM 0 H GLY A 35 1.854 -8.429 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.017 -8.576 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.000 -7.245 -10.433 1.00 0.00 H new ATOM 511 N VAL A 36 2.753 -6.487 -8.109 1.00 0.00 N ATOM 512 CA VAL A 36 1.779 -5.762 -7.243 1.00 0.00 C ATOM 513 C VAL A 36 1.654 -4.313 -7.716 1.00 0.00 C ATOM 514 O VAL A 36 2.431 -3.843 -8.524 1.00 0.00 O ATOM 515 CB VAL A 36 2.268 -5.783 -5.794 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.683 -7.205 -5.415 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.470 -4.848 -5.647 1.00 0.00 C ATOM 0 H VAL A 36 3.736 -6.331 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 36 0.807 -6.250 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 36 1.465 -5.451 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.031 -7.219 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.828 -7.873 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.486 -7.537 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.818 -4.863 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.272 -5.181 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.177 -3.833 -5.916 1.00 0.00 H new ATOM 527 N PHE A 37 0.680 -3.602 -7.220 1.00 0.00 N ATOM 528 CA PHE A 37 0.502 -2.184 -7.638 1.00 0.00 C ATOM 529 C PHE A 37 -0.622 -1.554 -6.812 1.00 0.00 C ATOM 530 O PHE A 37 -1.303 -2.225 -6.066 1.00 0.00 O ATOM 531 CB PHE A 37 0.140 -2.136 -9.124 1.00 0.00 C ATOM 532 CG PHE A 37 -1.268 -2.649 -9.311 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.516 -4.026 -9.310 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.322 -1.746 -9.481 1.00 0.00 C ATOM 535 CE1 PHE A 37 -2.823 -4.501 -9.479 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.628 -2.221 -9.651 1.00 0.00 C ATOM 537 CZ PHE A 37 -3.878 -3.597 -9.650 1.00 0.00 C ATOM 0 H PHE A 37 -0.002 -3.943 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 37 1.427 -1.631 -7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.220 -1.115 -9.497 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.840 -2.741 -9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.701 -4.722 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.129 -0.683 -9.481 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.016 -5.564 -9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.443 -1.524 -9.783 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.886 -3.962 -9.781 1.00 0.00 H new ATOM 547 N LEU A 38 -0.828 -0.273 -6.941 1.00 0.00 N ATOM 548 CA LEU A 38 -1.914 0.383 -6.157 1.00 0.00 C ATOM 549 C LEU A 38 -3.052 0.782 -7.094 1.00 0.00 C ATOM 550 O LEU A 38 -2.926 1.699 -7.882 1.00 0.00 O ATOM 551 CB LEU A 38 -1.375 1.639 -5.459 1.00 0.00 C ATOM 552 CG LEU A 38 0.089 1.442 -5.047 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.309 0.015 -4.539 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.997 1.703 -6.251 1.00 0.00 C ATOM 0 H LEU A 38 -0.295 0.346 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.280 -0.318 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.458 2.497 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.979 1.860 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 38 0.330 2.142 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.352 -0.111 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.331 -0.167 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.063 -0.694 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.038 1.563 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.748 1.007 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.853 2.725 -6.601 1.00 0.00 H new ATOM 566 N ALA A 39 -4.169 0.113 -7.010 1.00 0.00 N ATOM 567 CA ALA A 39 -5.314 0.473 -7.891 1.00 0.00 C ATOM 568 C ALA A 39 -6.245 1.416 -7.133 1.00 0.00 C ATOM 569 O ALA A 39 -6.541 1.212 -5.969 1.00 0.00 O ATOM 570 CB ALA A 39 -6.086 -0.786 -8.290 1.00 0.00 C ATOM 0 H ALA A 39 -4.337 -0.664 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.938 0.959 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.921 -0.512 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.423 -1.465 -8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.465 -1.279 -7.395 1.00 0.00 H new ATOM 576 N ALA A 40 -6.713 2.445 -7.777 1.00 0.00 N ATOM 577 CA ALA A 40 -7.626 3.393 -7.089 1.00 0.00 C ATOM 578 C ALA A 40 -8.887 2.640 -6.660 1.00 0.00 C ATOM 579 O ALA A 40 -9.385 1.789 -7.369 1.00 0.00 O ATOM 580 CB ALA A 40 -7.994 4.529 -8.044 1.00 0.00 C ATOM 0 H ALA A 40 -6.503 2.670 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.137 3.814 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.664 5.225 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.089 5.054 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.491 4.119 -8.923 1.00 0.00 H new ATOM 586 N ASN A 41 -9.400 2.935 -5.498 1.00 0.00 N ATOM 587 CA ASN A 41 -10.619 2.223 -5.019 1.00 0.00 C ATOM 588 C ASN A 41 -11.827 2.602 -5.885 1.00 0.00 C ATOM 589 O ASN A 41 -12.894 2.035 -5.757 1.00 0.00 O ATOM 590 CB ASN A 41 -10.888 2.604 -3.555 1.00 0.00 C ATOM 591 CG ASN A 41 -11.650 3.933 -3.489 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.463 4.139 -2.610 1.00 0.00 O ATOM 593 ND2 ASN A 41 -11.420 4.846 -4.390 1.00 0.00 N ATOM 0 H ASN A 41 -9.028 3.638 -4.859 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.459 1.147 -5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.466 1.819 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.946 2.689 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.922 5.733 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.738 4.674 -5.128 1.00 0.00 H new ATOM 600 N THR A 42 -11.675 3.562 -6.756 1.00 0.00 N ATOM 601 CA THR A 42 -12.825 3.974 -7.609 1.00 0.00 C ATOM 602 C THR A 42 -12.634 3.449 -9.034 1.00 0.00 C ATOM 603 O THR A 42 -13.398 3.771 -9.919 1.00 0.00 O ATOM 604 CB THR A 42 -12.920 5.501 -7.635 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.619 6.052 -7.784 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.540 5.996 -6.327 1.00 0.00 C ATOM 0 H THR A 42 -10.808 4.077 -6.913 1.00 0.00 H new ATOM 0 HA THR A 42 -13.744 3.557 -7.196 1.00 0.00 H new ATOM 0 HB THR A 42 -13.545 5.814 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.179 5.646 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.608 7.084 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.538 5.572 -6.214 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.917 5.685 -5.488 1.00 0.00 H new ATOM 614 N PHE A 43 -11.627 2.640 -9.251 1.00 0.00 N ATOM 615 CA PHE A 43 -11.374 2.077 -10.614 1.00 0.00 C ATOM 616 C PHE A 43 -12.711 1.789 -11.312 1.00 0.00 C ATOM 617 O PHE A 43 -13.650 1.356 -10.675 1.00 0.00 O ATOM 618 CB PHE A 43 -10.588 0.770 -10.464 1.00 0.00 C ATOM 619 CG PHE A 43 -10.299 0.184 -11.825 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.323 -0.428 -12.557 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.005 0.257 -12.356 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.053 -0.969 -13.820 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.735 -0.284 -13.619 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.759 -0.896 -14.351 1.00 0.00 C ATOM 0 H PHE A 43 -10.963 2.343 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.807 2.792 -11.210 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.654 0.956 -9.933 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.158 0.059 -9.866 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.321 -0.483 -12.148 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.215 0.731 -11.791 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.843 -1.443 -14.385 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.737 -0.229 -14.028 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.551 -1.312 -15.326 1.00 0.00 H new ATOM 634 N PRO A 44 -12.763 2.030 -12.602 1.00 0.00 N ATOM 635 CA PRO A 44 -11.636 2.551 -13.368 1.00 0.00 C ATOM 636 C PRO A 44 -11.507 4.071 -13.199 1.00 0.00 C ATOM 637 O PRO A 44 -10.667 4.693 -13.817 1.00 0.00 O ATOM 638 CB PRO A 44 -11.986 2.219 -14.811 1.00 0.00 C ATOM 639 CG PRO A 44 -13.548 2.200 -14.815 1.00 0.00 C ATOM 640 CD PRO A 44 -13.980 1.768 -13.382 1.00 0.00 C ATOM 0 HA PRO A 44 -10.687 2.122 -13.045 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.592 2.965 -15.501 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.573 1.257 -15.113 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.949 3.183 -15.063 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.927 1.503 -15.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.829 2.348 -13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.271 0.718 -13.343 1.00 0.00 H new ATOM 648 N LYS A 45 -12.335 4.669 -12.379 1.00 0.00 N ATOM 649 CA LYS A 45 -12.265 6.146 -12.171 1.00 0.00 C ATOM 650 C LYS A 45 -10.801 6.589 -12.172 1.00 0.00 C ATOM 651 O LYS A 45 -10.338 7.236 -13.091 1.00 0.00 O ATOM 652 CB LYS A 45 -12.918 6.491 -10.827 1.00 0.00 C ATOM 653 CG LYS A 45 -12.410 7.846 -10.329 1.00 0.00 C ATOM 654 CD LYS A 45 -13.109 8.207 -9.018 1.00 0.00 C ATOM 655 CE LYS A 45 -13.368 9.714 -8.975 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.549 10.039 -9.825 1.00 0.00 N ATOM 0 H LYS A 45 -13.060 4.194 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.792 6.663 -12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.002 6.518 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.691 5.717 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.331 7.808 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.601 8.615 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.050 7.663 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.492 7.909 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.546 10.034 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.491 10.255 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.494 11.032 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.556 9.420 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.421 9.893 -9.278 1.00 0.00 H new ATOM 670 N SER A 46 -10.068 6.234 -11.158 1.00 0.00 N ATOM 671 CA SER A 46 -8.635 6.623 -11.111 1.00 0.00 C ATOM 672 C SER A 46 -7.795 5.469 -11.655 1.00 0.00 C ATOM 673 O SER A 46 -7.649 4.442 -11.022 1.00 0.00 O ATOM 674 CB SER A 46 -8.228 6.920 -9.668 1.00 0.00 C ATOM 675 OG SER A 46 -9.309 6.605 -8.801 1.00 0.00 O ATOM 0 H SER A 46 -10.399 5.692 -10.360 1.00 0.00 H new ATOM 0 HA SER A 46 -8.474 7.516 -11.715 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.348 6.335 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.957 7.971 -9.563 1.00 0.00 H new ATOM 0 HG SER A 46 -9.279 7.189 -8.015 1.00 0.00 H new ATOM 681 N ARG A 47 -7.244 5.624 -12.828 1.00 0.00 N ATOM 682 CA ARG A 47 -6.422 4.529 -13.409 1.00 0.00 C ATOM 683 C ARG A 47 -4.971 4.699 -12.963 1.00 0.00 C ATOM 684 O ARG A 47 -4.046 4.482 -13.721 1.00 0.00 O ATOM 685 CB ARG A 47 -6.500 4.584 -14.933 1.00 0.00 C ATOM 686 CG ARG A 47 -7.270 3.365 -15.441 1.00 0.00 C ATOM 687 CD ARG A 47 -7.838 3.663 -16.826 1.00 0.00 C ATOM 688 NE ARG A 47 -9.169 4.317 -16.686 1.00 0.00 N ATOM 689 CZ ARG A 47 -9.712 4.915 -17.712 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.899 4.261 -18.825 1.00 0.00 N ATOM 691 NH2 ARG A 47 -10.069 6.168 -17.623 1.00 0.00 N ATOM 0 H ARG A 47 -7.328 6.460 -13.407 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.799 3.566 -13.065 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.996 5.501 -15.251 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.497 4.600 -15.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.611 2.498 -15.485 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.077 3.117 -14.751 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.158 4.312 -17.378 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.933 2.740 -17.398 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.656 4.298 -15.790 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.621 3.282 -18.894 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.323 4.729 -19.626 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.924 6.679 -16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.493 6.636 -18.424 1.00 0.00 H new ATOM 705 N GLU A 48 -4.767 5.081 -11.733 1.00 0.00 N ATOM 706 CA GLU A 48 -3.380 5.262 -11.229 1.00 0.00 C ATOM 707 C GLU A 48 -2.859 3.921 -10.710 1.00 0.00 C ATOM 708 O GLU A 48 -2.376 3.817 -9.601 1.00 0.00 O ATOM 709 CB GLU A 48 -3.379 6.290 -10.097 1.00 0.00 C ATOM 710 CG GLU A 48 -4.007 7.594 -10.591 1.00 0.00 C ATOM 711 CD GLU A 48 -4.093 8.591 -9.434 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.216 8.146 -8.305 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.036 9.781 -9.696 1.00 0.00 O ATOM 0 H GLU A 48 -5.504 5.276 -11.055 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.737 5.617 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.937 5.906 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.359 6.471 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.411 8.013 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.002 7.401 -10.993 1.00 0.00 H new ATOM 720 N THR A 49 -2.961 2.893 -11.507 1.00 0.00 N ATOM 721 CA THR A 49 -2.482 1.553 -11.067 1.00 0.00 C ATOM 722 C THR A 49 -1.019 1.367 -11.476 1.00 0.00 C ATOM 723 O THR A 49 -0.624 1.705 -12.575 1.00 0.00 O ATOM 724 CB THR A 49 -3.336 0.468 -11.727 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.798 0.154 -13.003 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.772 0.971 -11.887 1.00 0.00 C ATOM 0 H THR A 49 -3.357 2.924 -12.447 1.00 0.00 H new ATOM 0 HA THR A 49 -2.565 1.478 -9.983 1.00 0.00 H new ATOM 0 HB THR A 49 -3.334 -0.425 -11.102 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.343 -0.542 -13.426 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.378 0.197 -12.357 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.185 1.210 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.777 1.865 -12.511 1.00 0.00 H new ATOM 734 N ARG A 50 -0.214 0.829 -10.600 1.00 0.00 N ATOM 735 CA ARG A 50 1.223 0.617 -10.935 1.00 0.00 C ATOM 736 C ARG A 50 2.012 0.381 -9.645 1.00 0.00 C ATOM 737 O ARG A 50 1.653 0.871 -8.593 1.00 0.00 O ATOM 738 CB ARG A 50 1.771 1.854 -11.649 1.00 0.00 C ATOM 739 CG ARG A 50 1.196 3.115 -11.002 1.00 0.00 C ATOM 740 CD ARG A 50 2.199 4.261 -11.133 1.00 0.00 C ATOM 741 NE ARG A 50 1.818 5.365 -10.207 1.00 0.00 N ATOM 742 CZ ARG A 50 1.232 6.434 -10.674 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.811 7.141 -11.605 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.068 6.796 -10.207 1.00 0.00 N ATOM 0 H ARG A 50 -0.490 0.527 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 50 1.321 -0.250 -11.589 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.859 1.867 -11.592 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.508 1.823 -12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.255 3.385 -11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.976 2.929 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.203 3.907 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.219 4.625 -12.160 1.00 0.00 H new ATOM 0 HE ARG A 50 2.015 5.285 -9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.721 6.859 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.353 7.976 -11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.383 6.244 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.390 7.631 -10.571 1.00 0.00 H new ATOM 758 N ALA A 51 3.082 -0.364 -9.712 1.00 0.00 N ATOM 759 CA ALA A 51 3.883 -0.622 -8.482 1.00 0.00 C ATOM 760 C ALA A 51 4.061 0.696 -7.716 1.00 0.00 C ATOM 761 O ALA A 51 4.296 1.727 -8.314 1.00 0.00 O ATOM 762 CB ALA A 51 5.251 -1.183 -8.868 1.00 0.00 C ATOM 0 H ALA A 51 3.435 -0.804 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 51 3.367 -1.346 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.835 -1.371 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.120 -2.116 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.775 -0.463 -9.496 1.00 0.00 H new ATOM 768 N PRO A 52 3.919 0.630 -6.415 1.00 0.00 N ATOM 769 CA PRO A 52 4.035 1.807 -5.568 1.00 0.00 C ATOM 770 C PRO A 52 5.500 2.159 -5.284 1.00 0.00 C ATOM 771 O PRO A 52 6.348 1.296 -5.151 1.00 0.00 O ATOM 772 CB PRO A 52 3.345 1.401 -4.273 1.00 0.00 C ATOM 773 CG PRO A 52 3.531 -0.150 -4.225 1.00 0.00 C ATOM 774 CD PRO A 52 3.627 -0.627 -5.705 1.00 0.00 C ATOM 0 HA PRO A 52 3.596 2.686 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.799 1.886 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.291 1.678 -4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.432 -0.416 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.692 -0.626 -3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.415 -1.367 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.698 -1.083 -6.048 1.00 0.00 H new ATOM 782 N LEU A 53 5.793 3.427 -5.162 1.00 0.00 N ATOM 783 CA LEU A 53 7.185 3.853 -4.849 1.00 0.00 C ATOM 784 C LEU A 53 7.728 2.956 -3.734 1.00 0.00 C ATOM 785 O LEU A 53 6.988 2.497 -2.889 1.00 0.00 O ATOM 786 CB LEU A 53 7.165 5.300 -4.367 1.00 0.00 C ATOM 787 CG LEU A 53 8.223 6.096 -5.125 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.569 5.385 -5.025 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.821 6.217 -6.595 1.00 0.00 C ATOM 0 H LEU A 53 5.123 4.189 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 53 7.815 3.772 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.179 5.736 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.360 5.342 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 53 8.304 7.091 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.323 5.956 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.860 5.302 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.487 4.388 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.579 6.786 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.736 5.222 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.862 6.729 -6.669 1.00 0.00 H new ATOM 801 N VAL A 54 9.008 2.702 -3.714 1.00 0.00 N ATOM 802 CA VAL A 54 9.566 1.835 -2.641 1.00 0.00 C ATOM 803 C VAL A 54 9.401 2.539 -1.295 1.00 0.00 C ATOM 804 O VAL A 54 9.413 1.917 -0.250 1.00 0.00 O ATOM 805 CB VAL A 54 11.048 1.571 -2.910 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.534 0.433 -2.013 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.237 1.173 -4.376 1.00 0.00 C ATOM 0 H VAL A 54 9.686 3.055 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 54 9.035 0.883 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 54 11.621 2.474 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.590 0.245 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.399 0.710 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.960 -0.469 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.293 0.985 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.663 0.270 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.889 1.981 -5.020 1.00 0.00 H new ATOM 817 N GLU A 55 9.236 3.833 -1.312 1.00 0.00 N ATOM 818 CA GLU A 55 9.057 4.577 -0.035 1.00 0.00 C ATOM 819 C GLU A 55 7.590 4.496 0.387 1.00 0.00 C ATOM 820 O GLU A 55 7.268 4.519 1.559 1.00 0.00 O ATOM 821 CB GLU A 55 9.454 6.042 -0.235 1.00 0.00 C ATOM 822 CG GLU A 55 8.799 6.580 -1.509 1.00 0.00 C ATOM 823 CD GLU A 55 8.739 8.107 -1.446 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.477 8.677 -0.659 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.958 8.681 -2.187 1.00 0.00 O ATOM 0 H GLU A 55 9.217 4.407 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 55 9.687 4.138 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.142 6.635 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.538 6.129 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.367 6.264 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.795 6.170 -1.615 1.00 0.00 H new ATOM 832 N GLU A 56 6.697 4.389 -0.560 1.00 0.00 N ATOM 833 CA GLU A 56 5.253 4.293 -0.212 1.00 0.00 C ATOM 834 C GLU A 56 4.961 2.877 0.278 1.00 0.00 C ATOM 835 O GLU A 56 4.128 2.661 1.137 1.00 0.00 O ATOM 836 CB GLU A 56 4.405 4.595 -1.450 1.00 0.00 C ATOM 837 CG GLU A 56 4.744 5.990 -1.974 1.00 0.00 C ATOM 838 CD GLU A 56 3.574 6.937 -1.702 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.369 7.276 -0.547 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.904 7.309 -2.650 1.00 0.00 O ATOM 0 H GLU A 56 6.906 4.364 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 56 5.010 5.013 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.593 3.849 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.345 4.536 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.647 6.362 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.950 5.948 -3.043 1.00 0.00 H new ATOM 847 N LEU A 57 5.654 1.910 -0.258 1.00 0.00 N ATOM 848 CA LEU A 57 5.435 0.503 0.174 1.00 0.00 C ATOM 849 C LEU A 57 6.140 0.280 1.511 1.00 0.00 C ATOM 850 O LEU A 57 5.708 -0.508 2.329 1.00 0.00 O ATOM 851 CB LEU A 57 6.009 -0.446 -0.879 1.00 0.00 C ATOM 852 CG LEU A 57 5.674 -1.897 -0.515 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.242 -1.993 0.019 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.801 -2.765 -1.764 1.00 0.00 C ATOM 0 H LEU A 57 6.365 2.036 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 57 4.368 0.309 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.600 -0.205 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.090 -0.319 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 57 6.364 -2.240 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.017 -3.029 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.143 -1.371 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.545 -1.648 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.564 -3.799 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.109 -2.409 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.821 -2.708 -2.145 1.00 0.00 H new ATOM 866 N TYR A 58 7.222 0.975 1.743 1.00 0.00 N ATOM 867 CA TYR A 58 7.951 0.810 3.031 1.00 0.00 C ATOM 868 C TYR A 58 7.084 1.354 4.167 1.00 0.00 C ATOM 869 O TYR A 58 6.957 0.746 5.212 1.00 0.00 O ATOM 870 CB TYR A 58 9.268 1.587 2.975 1.00 0.00 C ATOM 871 CG TYR A 58 9.870 1.662 4.359 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.217 0.485 5.036 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.081 2.906 4.964 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.774 0.555 6.318 1.00 0.00 C ATOM 875 CE2 TYR A 58 10.638 2.974 6.247 1.00 0.00 C ATOM 876 CZ TYR A 58 10.985 1.799 6.923 1.00 0.00 C ATOM 877 OH TYR A 58 11.534 1.867 8.187 1.00 0.00 O ATOM 0 H TYR A 58 7.631 1.649 1.096 1.00 0.00 H new ATOM 0 HA TYR A 58 8.163 -0.245 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.962 1.098 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.094 2.591 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.055 -0.475 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.814 3.813 4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.041 -0.352 6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.800 3.934 6.715 1.00 0.00 H new ATOM 0 HH TYR A 58 11.614 2.805 8.459 1.00 0.00 H new ATOM 887 N ARG A 59 6.479 2.494 3.968 1.00 0.00 N ATOM 888 CA ARG A 59 5.613 3.074 5.031 1.00 0.00 C ATOM 889 C ARG A 59 4.413 2.154 5.257 1.00 0.00 C ATOM 890 O ARG A 59 4.020 1.892 6.377 1.00 0.00 O ATOM 891 CB ARG A 59 5.124 4.456 4.594 1.00 0.00 C ATOM 892 CG ARG A 59 4.210 5.040 5.674 1.00 0.00 C ATOM 893 CD ARG A 59 3.022 5.741 5.013 1.00 0.00 C ATOM 894 NE ARG A 59 1.914 5.877 6.000 1.00 0.00 N ATOM 895 CZ ARG A 59 1.849 6.932 6.767 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.668 7.057 7.774 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.967 7.861 6.524 1.00 0.00 N ATOM 0 H ARG A 59 6.548 3.048 3.114 1.00 0.00 H new ATOM 0 HA ARG A 59 6.181 3.169 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.974 5.117 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.586 4.381 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.857 4.248 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.765 5.746 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.322 6.724 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.685 5.170 4.148 1.00 0.00 H new ATOM 0 HE ARG A 59 1.206 5.146 6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.359 6.331 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.617 7.881 8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.328 7.764 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.916 8.685 7.123 1.00 0.00 H new ATOM 911 N PHE A 60 3.830 1.656 4.200 1.00 0.00 N ATOM 912 CA PHE A 60 2.659 0.747 4.353 1.00 0.00 C ATOM 913 C PHE A 60 3.154 -0.668 4.664 1.00 0.00 C ATOM 914 O PHE A 60 2.384 -1.606 4.715 1.00 0.00 O ATOM 915 CB PHE A 60 1.851 0.729 3.054 1.00 0.00 C ATOM 916 CG PHE A 60 1.054 2.007 2.930 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.376 2.523 4.041 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.992 2.674 1.700 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.363 3.706 3.922 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.253 3.856 1.582 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.425 4.373 2.693 1.00 0.00 C ATOM 0 H PHE A 60 4.114 1.840 3.238 1.00 0.00 H new ATOM 0 HA PHE A 60 2.027 1.102 5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.520 0.622 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.181 -0.131 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.423 2.009 4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.515 2.276 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.886 4.104 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.205 4.370 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.995 5.286 2.602 1.00 0.00 H new ATOM 931 N ARG A 61 4.433 -0.830 4.872 1.00 0.00 N ATOM 932 CA ARG A 61 4.974 -2.184 5.177 1.00 0.00 C ATOM 933 C ARG A 61 4.403 -2.671 6.510 1.00 0.00 C ATOM 934 O ARG A 61 4.023 -3.816 6.652 1.00 0.00 O ATOM 935 CB ARG A 61 6.500 -2.114 5.272 1.00 0.00 C ATOM 936 CG ARG A 61 7.084 -3.524 5.163 1.00 0.00 C ATOM 937 CD ARG A 61 7.361 -4.070 6.566 1.00 0.00 C ATOM 938 NE ARG A 61 8.787 -3.827 6.920 1.00 0.00 N ATOM 939 CZ ARG A 61 9.112 -3.522 8.146 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.633 -2.442 8.699 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.916 -4.298 8.821 1.00 0.00 N ATOM 0 H ARG A 61 5.126 -0.082 4.844 1.00 0.00 H new ATOM 0 HA ARG A 61 4.691 -2.876 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.896 -1.483 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.796 -1.659 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.388 -4.178 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.005 -3.504 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.707 -3.586 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.143 -5.137 6.602 1.00 0.00 H new ATOM 0 HE ARG A 61 9.510 -3.899 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.004 -1.836 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.887 -2.204 9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.290 -5.143 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.170 -4.059 9.780 1.00 0.00 H new ATOM 955 N ASP A 62 4.337 -1.810 7.488 1.00 0.00 N ATOM 956 CA ASP A 62 3.787 -2.227 8.808 1.00 0.00 C ATOM 957 C ASP A 62 2.270 -2.407 8.699 1.00 0.00 C ATOM 958 O ASP A 62 1.613 -2.794 9.645 1.00 0.00 O ATOM 959 CB ASP A 62 4.099 -1.152 9.852 1.00 0.00 C ATOM 960 CG ASP A 62 3.238 0.084 9.586 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.030 -0.021 9.716 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.802 1.115 9.257 1.00 0.00 O ATOM 0 H ASP A 62 4.640 -0.838 7.430 1.00 0.00 H new ATOM 0 HA ASP A 62 4.243 -3.171 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.904 -1.535 10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.156 -0.887 9.812 1.00 0.00 H new ATOM 967 N ARG A 63 1.708 -2.128 7.553 1.00 0.00 N ATOM 968 CA ARG A 63 0.236 -2.283 7.390 1.00 0.00 C ATOM 969 C ARG A 63 -0.057 -3.241 6.232 1.00 0.00 C ATOM 970 O ARG A 63 -1.198 -3.512 5.915 1.00 0.00 O ATOM 971 CB ARG A 63 -0.387 -0.917 7.090 1.00 0.00 C ATOM 972 CG ARG A 63 -1.908 -1.004 7.237 1.00 0.00 C ATOM 973 CD ARG A 63 -2.559 0.180 6.522 1.00 0.00 C ATOM 974 NE ARG A 63 -4.033 0.142 6.741 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.775 1.145 6.358 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.313 2.364 6.430 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.979 0.929 5.904 1.00 0.00 N ATOM 0 H ARG A 63 2.205 -1.800 6.725 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.189 -2.687 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.012 -0.166 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.126 -0.601 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.272 -1.941 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.183 -1.001 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.148 1.117 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.338 0.141 5.455 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.461 -0.667 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.372 2.533 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.893 3.148 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.340 -0.023 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.559 1.713 5.605 1.00 0.00 H new ATOM 991 N LEU A 64 0.960 -3.756 5.594 1.00 0.00 N ATOM 992 CA LEU A 64 0.725 -4.692 4.461 1.00 0.00 C ATOM 993 C LEU A 64 0.677 -6.133 4.990 1.00 0.00 C ATOM 994 O LEU A 64 1.078 -6.394 6.107 1.00 0.00 O ATOM 995 CB LEU A 64 1.847 -4.518 3.415 1.00 0.00 C ATOM 996 CG LEU A 64 2.911 -5.616 3.548 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.082 -5.310 2.613 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.419 -5.674 4.990 1.00 0.00 C ATOM 0 H LEU A 64 1.939 -3.569 5.809 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.229 -4.472 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.419 -4.543 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.313 -3.540 3.538 1.00 0.00 H new ATOM 0 HG LEU A 64 2.469 -6.576 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.837 -6.090 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.726 -5.273 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.519 -4.348 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.174 -6.455 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.857 -4.713 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.588 -5.895 5.660 1.00 0.00 H new ATOM 1010 N PRO A 65 0.186 -7.026 4.170 1.00 0.00 N ATOM 1011 CA PRO A 65 0.078 -8.430 4.535 1.00 0.00 C ATOM 1012 C PRO A 65 1.440 -8.964 5.005 1.00 0.00 C ATOM 1013 O PRO A 65 1.704 -9.034 6.189 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.394 -9.124 3.255 1.00 0.00 C ATOM 1015 CG PRO A 65 -1.087 -7.975 2.460 1.00 0.00 C ATOM 1016 CD PRO A 65 -0.303 -6.686 2.827 1.00 0.00 C ATOM 0 HA PRO A 65 -0.612 -8.604 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.440 -9.552 2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.086 -9.938 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.052 -8.164 1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.138 -7.887 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.511 -6.486 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.942 -5.803 2.832 1.00 0.00 H new ATOM 1024 N GLU A 66 2.307 -9.338 4.097 1.00 0.00 N ATOM 1025 CA GLU A 66 3.638 -9.864 4.502 1.00 0.00 C ATOM 1026 C GLU A 66 4.399 -10.326 3.257 1.00 0.00 C ATOM 1027 O GLU A 66 5.612 -10.270 3.199 1.00 0.00 O ATOM 1028 CB GLU A 66 3.440 -11.060 5.430 1.00 0.00 C ATOM 1029 CG GLU A 66 4.680 -11.241 6.308 1.00 0.00 C ATOM 1030 CD GLU A 66 4.840 -12.719 6.669 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.887 -13.291 7.174 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.911 -13.254 6.435 1.00 0.00 O ATOM 0 H GLU A 66 2.146 -9.300 3.091 1.00 0.00 H new ATOM 0 HA GLU A 66 4.201 -9.083 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.560 -10.907 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.262 -11.962 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.566 -10.887 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.587 -10.643 7.214 1.00 0.00 H new ATOM 1039 N LYS A 67 3.691 -10.787 2.260 1.00 0.00 N ATOM 1040 CA LYS A 67 4.364 -11.272 1.017 1.00 0.00 C ATOM 1041 C LYS A 67 4.860 -10.099 0.161 1.00 0.00 C ATOM 1042 O LYS A 67 5.179 -10.268 -0.999 1.00 0.00 O ATOM 1043 CB LYS A 67 3.372 -12.104 0.202 1.00 0.00 C ATOM 1044 CG LYS A 67 4.139 -13.076 -0.699 1.00 0.00 C ATOM 1045 CD LYS A 67 3.697 -14.508 -0.398 1.00 0.00 C ATOM 1046 CE LYS A 67 2.305 -14.748 -0.988 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.839 -16.116 -0.623 1.00 0.00 N ATOM 0 H LYS A 67 2.673 -10.849 2.252 1.00 0.00 H new ATOM 0 HA LYS A 67 5.224 -11.877 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.710 -12.656 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.743 -11.450 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.954 -12.840 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.211 -12.973 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.410 -15.216 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.681 -14.676 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.605 -14.002 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.334 -14.640 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.893 -16.279 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.502 -16.821 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.796 -16.203 0.412 1.00 0.00 H new ATOM 1061 N LEU A 68 4.941 -8.918 0.710 1.00 0.00 N ATOM 1062 CA LEU A 68 5.428 -7.761 -0.093 1.00 0.00 C ATOM 1063 C LEU A 68 6.532 -7.039 0.683 1.00 0.00 C ATOM 1064 O LEU A 68 7.081 -6.056 0.227 1.00 0.00 O ATOM 1065 CB LEU A 68 4.276 -6.789 -0.365 1.00 0.00 C ATOM 1066 CG LEU A 68 2.944 -7.542 -0.347 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.350 -7.492 1.062 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.975 -6.886 -1.333 1.00 0.00 C ATOM 0 H LEU A 68 4.692 -8.705 1.676 1.00 0.00 H new ATOM 0 HA LEU A 68 5.820 -8.122 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.268 -6.001 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.417 -6.305 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 68 3.108 -8.580 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.401 -8.028 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.041 -7.958 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.185 -6.454 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.026 -7.422 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.810 -5.848 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.398 -6.921 -2.337 1.00 0.00 H new ATOM 1080 N ARG A 69 6.860 -7.516 1.855 1.00 0.00 N ATOM 1081 CA ARG A 69 7.926 -6.852 2.659 1.00 0.00 C ATOM 1082 C ARG A 69 9.166 -6.625 1.789 1.00 0.00 C ATOM 1083 O ARG A 69 9.617 -5.511 1.616 1.00 0.00 O ATOM 1084 CB ARG A 69 8.295 -7.741 3.848 1.00 0.00 C ATOM 1085 CG ARG A 69 7.023 -8.162 4.586 1.00 0.00 C ATOM 1086 CD ARG A 69 7.137 -7.777 6.062 1.00 0.00 C ATOM 1087 NE ARG A 69 7.795 -8.883 6.813 1.00 0.00 N ATOM 1088 CZ ARG A 69 9.063 -8.803 7.114 1.00 0.00 C ATOM 1089 NH1 ARG A 69 9.474 -7.913 7.974 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.918 -9.613 6.553 1.00 0.00 N ATOM 0 H ARG A 69 6.436 -8.336 2.289 1.00 0.00 H new ATOM 0 HA ARG A 69 7.559 -5.891 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.836 -8.622 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.960 -7.204 4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.154 -7.679 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.874 -9.237 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.714 -6.858 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.148 -7.580 6.475 1.00 0.00 H new ATOM 0 HE ARG A 69 7.255 -9.702 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.805 -7.279 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.465 -7.850 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.596 -10.308 5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.909 -9.551 6.788 1.00 0.00 H new ATOM 1104 N TYR A 70 9.722 -7.673 1.245 1.00 0.00 N ATOM 1105 CA TYR A 70 10.935 -7.516 0.393 1.00 0.00 C ATOM 1106 C TYR A 70 10.758 -6.317 -0.541 1.00 0.00 C ATOM 1107 O TYR A 70 11.658 -5.521 -0.721 1.00 0.00 O ATOM 1108 CB TYR A 70 11.143 -8.780 -0.441 1.00 0.00 C ATOM 1109 CG TYR A 70 9.853 -9.152 -1.131 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.543 -8.598 -2.380 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.968 -10.051 -0.525 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.348 -8.945 -3.022 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.772 -10.398 -1.168 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.463 -9.844 -2.416 1.00 0.00 C ATOM 1115 OH TYR A 70 6.285 -10.186 -3.050 1.00 0.00 O ATOM 0 H TYR A 70 9.389 -8.631 1.354 1.00 0.00 H new ATOM 0 HA TYR A 70 11.803 -7.353 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.927 -8.615 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.474 -9.599 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.225 -7.904 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.207 -10.477 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.109 -8.519 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.089 -11.092 -0.701 1.00 0.00 H new ATOM 0 HH TYR A 70 5.530 -10.020 -2.448 1.00 0.00 H new ATOM 1125 N LEU A 71 9.607 -6.183 -1.136 1.00 0.00 N ATOM 1126 CA LEU A 71 9.374 -5.037 -2.059 1.00 0.00 C ATOM 1127 C LEU A 71 9.505 -3.726 -1.282 1.00 0.00 C ATOM 1128 O LEU A 71 10.173 -2.805 -1.709 1.00 0.00 O ATOM 1129 CB LEU A 71 7.969 -5.148 -2.653 1.00 0.00 C ATOM 1130 CG LEU A 71 8.043 -5.809 -4.028 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.767 -6.617 -4.277 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.176 -4.726 -5.097 1.00 0.00 C ATOM 0 H LEU A 71 8.816 -6.818 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 71 10.110 -5.054 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.329 -5.732 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.520 -4.158 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 71 8.905 -6.475 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.821 -7.088 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.667 -7.385 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.903 -5.953 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.229 -5.191 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.311 -4.065 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.083 -4.148 -4.919 1.00 0.00 H new ATOM 1144 N ALA A 72 8.876 -3.635 -0.143 1.00 0.00 N ATOM 1145 CA ALA A 72 8.969 -2.385 0.660 1.00 0.00 C ATOM 1146 C ALA A 72 10.407 -2.201 1.151 1.00 0.00 C ATOM 1147 O ALA A 72 10.766 -1.166 1.676 1.00 0.00 O ATOM 1148 CB ALA A 72 8.029 -2.485 1.864 1.00 0.00 C ATOM 0 H ALA A 72 8.302 -4.372 0.266 1.00 0.00 H new ATOM 0 HA ALA A 72 8.683 -1.533 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.095 -1.571 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.005 -2.619 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.317 -3.336 2.481 1.00 0.00 H new ATOM 1154 N ASP A 73 11.232 -3.198 0.985 1.00 0.00 N ATOM 1155 CA ASP A 73 12.644 -3.081 1.445 1.00 0.00 C ATOM 1156 C ASP A 73 13.533 -2.642 0.278 1.00 0.00 C ATOM 1157 O ASP A 73 14.570 -2.038 0.471 1.00 0.00 O ATOM 1158 CB ASP A 73 13.125 -4.437 1.967 1.00 0.00 C ATOM 1159 CG ASP A 73 12.702 -4.599 3.429 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.425 -4.126 4.290 1.00 0.00 O ATOM 1161 OD2 ASP A 73 11.662 -5.194 3.661 1.00 0.00 O ATOM 0 H ASP A 73 10.989 -4.088 0.551 1.00 0.00 H new ATOM 0 HA ASP A 73 12.702 -2.340 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.704 -5.241 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.209 -4.508 1.881 1.00 0.00 H new ATOM 1166 N ALA A 74 13.140 -2.940 -0.931 1.00 0.00 N ATOM 1167 CA ALA A 74 13.971 -2.538 -2.102 1.00 0.00 C ATOM 1168 C ALA A 74 14.391 -1.072 -1.950 1.00 0.00 C ATOM 1169 O ALA A 74 13.826 -0.348 -1.154 1.00 0.00 O ATOM 1170 CB ALA A 74 13.160 -2.701 -3.389 1.00 0.00 C ATOM 0 H ALA A 74 12.282 -3.443 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 74 14.857 -3.171 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.770 -2.406 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.859 -3.743 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.272 -2.070 -3.342 1.00 0.00 H new ATOM 1176 N PRO A 75 15.371 -0.678 -2.725 1.00 0.00 N ATOM 1177 CA PRO A 75 15.876 0.688 -2.697 1.00 0.00 C ATOM 1178 C PRO A 75 14.717 1.680 -2.846 1.00 0.00 C ATOM 1179 O PRO A 75 13.622 1.316 -3.227 1.00 0.00 O ATOM 1180 CB PRO A 75 16.814 0.773 -3.896 1.00 0.00 C ATOM 1181 CG PRO A 75 17.253 -0.708 -4.120 1.00 0.00 C ATOM 1182 CD PRO A 75 16.042 -1.576 -3.678 1.00 0.00 C ATOM 0 HA PRO A 75 16.381 0.931 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.309 1.179 -4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.668 1.419 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.503 -0.888 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.141 -0.946 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.398 -1.839 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.355 -2.510 -3.211 1.00 0.00 H new ATOM 1190 N GLN A 76 14.948 2.930 -2.549 1.00 0.00 N ATOM 1191 CA GLN A 76 13.857 3.938 -2.676 1.00 0.00 C ATOM 1192 C GLN A 76 14.413 5.221 -3.298 1.00 0.00 C ATOM 1193 O GLN A 76 13.951 6.308 -3.016 1.00 0.00 O ATOM 1194 CB GLN A 76 13.286 4.248 -1.291 1.00 0.00 C ATOM 1195 CG GLN A 76 14.427 4.595 -0.333 1.00 0.00 C ATOM 1196 CD GLN A 76 13.856 4.897 1.054 1.00 0.00 C ATOM 1197 OE1 GLN A 76 13.363 4.014 1.726 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.903 6.117 1.513 1.00 0.00 N ATOM 0 H GLN A 76 15.843 3.296 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 76 13.068 3.539 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.584 5.080 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.730 3.389 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.132 3.766 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.979 5.457 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.317 6.859 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.526 6.329 2.437 1.00 0.00 H new ATOM 1207 N GLN A 77 15.393 5.101 -4.151 1.00 0.00 N ATOM 1208 CA GLN A 77 15.978 6.309 -4.800 1.00 0.00 C ATOM 1209 C GLN A 77 17.348 5.954 -5.384 1.00 0.00 C ATOM 1210 O GLN A 77 17.932 4.941 -5.050 1.00 0.00 O ATOM 1211 CB GLN A 77 16.147 7.429 -3.767 1.00 0.00 C ATOM 1212 CG GLN A 77 16.703 6.850 -2.465 1.00 0.00 C ATOM 1213 CD GLN A 77 18.135 7.345 -2.257 1.00 0.00 C ATOM 1214 OE1 GLN A 77 19.078 6.712 -2.693 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.340 8.456 -1.606 1.00 0.00 N ATOM 0 H GLN A 77 15.816 4.215 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 77 15.311 6.648 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.821 8.194 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.188 7.913 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.077 7.151 -1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.685 5.761 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.549 8.986 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.291 8.795 -1.462 1.00 0.00 H new ATOM 1224 N ASP A 78 17.868 6.779 -6.250 1.00 0.00 N ATOM 1225 CA ASP A 78 19.202 6.488 -6.849 1.00 0.00 C ATOM 1226 C ASP A 78 20.284 7.231 -6.044 1.00 0.00 C ATOM 1227 O ASP A 78 19.977 7.878 -5.062 1.00 0.00 O ATOM 1228 CB ASP A 78 19.194 6.919 -8.326 1.00 0.00 C ATOM 1229 CG ASP A 78 19.577 8.396 -8.459 1.00 0.00 C ATOM 1230 OD1 ASP A 78 18.790 9.230 -8.048 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.649 8.665 -8.974 1.00 0.00 O ATOM 0 H ASP A 78 17.428 7.642 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 78 19.422 5.421 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.893 6.304 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.205 6.754 -8.753 1.00 0.00 H new ATOM 1236 N PRO A 79 21.519 7.100 -6.465 1.00 0.00 N ATOM 1237 CA PRO A 79 22.643 7.730 -5.776 1.00 0.00 C ATOM 1238 C PRO A 79 22.368 9.215 -5.508 1.00 0.00 C ATOM 1239 O PRO A 79 22.894 9.791 -4.577 1.00 0.00 O ATOM 1240 CB PRO A 79 23.818 7.555 -6.731 1.00 0.00 C ATOM 1241 CG PRO A 79 23.430 6.281 -7.543 1.00 0.00 C ATOM 1242 CD PRO A 79 21.880 6.320 -7.658 1.00 0.00 C ATOM 0 HA PRO A 79 22.831 7.284 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.943 8.423 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.757 7.420 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.897 6.286 -8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.764 5.375 -7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.549 6.801 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.442 5.322 -7.644 1.00 0.00 H new ATOM 1250 N GLU A 80 21.551 9.839 -6.309 1.00 0.00 N ATOM 1251 CA GLU A 80 21.251 11.282 -6.088 1.00 0.00 C ATOM 1252 C GLU A 80 20.043 11.408 -5.159 1.00 0.00 C ATOM 1253 O GLU A 80 20.156 11.844 -4.030 1.00 0.00 O ATOM 1254 CB GLU A 80 20.938 11.950 -7.428 1.00 0.00 C ATOM 1255 CG GLU A 80 21.005 13.470 -7.268 1.00 0.00 C ATOM 1256 CD GLU A 80 22.466 13.923 -7.295 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.191 13.465 -8.164 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.834 14.719 -6.449 1.00 0.00 O ATOM 0 H GLU A 80 21.078 9.414 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 80 22.114 11.770 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.650 11.622 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.947 11.653 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.448 13.955 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.538 13.768 -6.329 1.00 0.00 H new ATOM 1265 N GLY A 81 18.885 11.025 -5.624 1.00 0.00 N ATOM 1266 CA GLY A 81 17.669 11.119 -4.765 1.00 0.00 C ATOM 1267 C GLY A 81 16.424 11.277 -5.642 1.00 0.00 C ATOM 1268 O GLY A 81 15.495 11.978 -5.294 1.00 0.00 O ATOM 0 H GLY A 81 18.728 10.652 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.579 10.225 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.757 11.967 -4.086 1.00 0.00 H new ATOM 1272 N ASN A 82 16.394 10.627 -6.775 1.00 0.00 N ATOM 1273 CA ASN A 82 15.204 10.739 -7.664 1.00 0.00 C ATOM 1274 C ASN A 82 14.152 9.714 -7.233 1.00 0.00 C ATOM 1275 O ASN A 82 13.176 9.481 -7.918 1.00 0.00 O ATOM 1276 CB ASN A 82 15.617 10.471 -9.114 1.00 0.00 C ATOM 1277 CG ASN A 82 16.477 9.208 -9.176 1.00 0.00 C ATOM 1278 OD1 ASN A 82 16.544 8.458 -8.223 1.00 0.00 O ATOM 1279 ND2 ASN A 82 17.142 8.939 -10.266 1.00 0.00 N ATOM 0 H ASN A 82 17.141 10.025 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 82 14.788 11.744 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.732 10.352 -9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.173 11.322 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.718 8.099 -10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.086 9.569 -11.066 1.00 0.00 H new ATOM 1286 N LYS A 83 14.341 9.107 -6.093 1.00 0.00 N ATOM 1287 CA LYS A 83 13.359 8.107 -5.600 1.00 0.00 C ATOM 1288 C LYS A 83 13.265 6.931 -6.562 1.00 0.00 C ATOM 1289 O LYS A 83 13.383 7.074 -7.763 1.00 0.00 O ATOM 1290 CB LYS A 83 12.003 8.763 -5.459 1.00 0.00 C ATOM 1291 CG LYS A 83 12.024 9.632 -4.209 1.00 0.00 C ATOM 1292 CD LYS A 83 10.644 9.624 -3.562 1.00 0.00 C ATOM 1293 CE LYS A 83 10.043 11.029 -3.614 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.356 11.752 -2.349 1.00 0.00 N ATOM 0 H LYS A 83 15.141 9.264 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 83 13.690 7.735 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.779 9.367 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.221 8.007 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.769 9.259 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.311 10.652 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.993 8.920 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.718 9.288 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.445 11.576 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.964 10.969 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.947 12.708 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.952 11.233 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.387 11.821 -2.235 1.00 0.00 H new ATOM 1308 N THR A 84 13.059 5.766 -6.027 1.00 0.00 N ATOM 1309 CA THR A 84 12.958 4.553 -6.878 1.00 0.00 C ATOM 1310 C THR A 84 11.671 3.811 -6.530 1.00 0.00 C ATOM 1311 O THR A 84 11.393 3.537 -5.379 1.00 0.00 O ATOM 1312 CB THR A 84 14.166 3.654 -6.612 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.328 4.459 -6.465 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.363 2.699 -7.782 1.00 0.00 C ATOM 0 H THR A 84 12.955 5.599 -5.026 1.00 0.00 H new ATOM 0 HA THR A 84 12.942 4.831 -7.932 1.00 0.00 H new ATOM 0 HB THR A 84 13.995 3.081 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.127 3.910 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.225 2.060 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.473 2.081 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.533 3.271 -8.694 1.00 0.00 H new ATOM 1322 N MET A 85 10.873 3.498 -7.510 1.00 0.00 N ATOM 1323 CA MET A 85 9.595 2.788 -7.228 1.00 0.00 C ATOM 1324 C MET A 85 9.719 1.317 -7.609 1.00 0.00 C ATOM 1325 O MET A 85 10.701 0.890 -8.183 1.00 0.00 O ATOM 1326 CB MET A 85 8.460 3.440 -8.027 1.00 0.00 C ATOM 1327 CG MET A 85 8.498 2.954 -9.477 1.00 0.00 C ATOM 1328 SD MET A 85 7.021 3.526 -10.345 1.00 0.00 S ATOM 1329 CE MET A 85 6.167 1.932 -10.359 1.00 0.00 C ATOM 0 H MET A 85 11.049 3.702 -8.494 1.00 0.00 H new ATOM 0 HA MET A 85 9.374 2.858 -6.163 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.498 3.193 -7.577 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.558 4.525 -7.995 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.393 3.329 -9.974 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.550 1.866 -9.505 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.095 2.095 -10.467 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.529 1.333 -11.194 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.362 1.406 -9.424 1.00 0.00 H new ATOM 1339 N VAL A 86 8.722 0.540 -7.300 1.00 0.00 N ATOM 1340 CA VAL A 86 8.773 -0.903 -7.646 1.00 0.00 C ATOM 1341 C VAL A 86 8.329 -1.097 -9.098 1.00 0.00 C ATOM 1342 O VAL A 86 7.534 -0.347 -9.623 1.00 0.00 O ATOM 1343 CB VAL A 86 7.837 -1.676 -6.717 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.596 -3.079 -7.278 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.477 -1.783 -5.331 1.00 0.00 C ATOM 0 H VAL A 86 7.873 0.843 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 86 9.792 -1.272 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 86 6.885 -1.151 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.928 -3.627 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.142 -3.003 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.546 -3.608 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.813 -2.334 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.429 -2.308 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.646 -0.784 -4.930 1.00 0.00 H new ATOM 1355 N ARG A 87 8.836 -2.110 -9.741 1.00 0.00 N ATOM 1356 CA ARG A 87 8.447 -2.383 -11.152 1.00 0.00 C ATOM 1357 C ARG A 87 8.293 -3.894 -11.323 1.00 0.00 C ATOM 1358 O ARG A 87 8.352 -4.640 -10.366 1.00 0.00 O ATOM 1359 CB ARG A 87 9.531 -1.878 -12.104 1.00 0.00 C ATOM 1360 CG ARG A 87 10.041 -0.519 -11.627 1.00 0.00 C ATOM 1361 CD ARG A 87 9.029 0.556 -12.016 1.00 0.00 C ATOM 1362 NE ARG A 87 9.749 1.809 -12.382 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.641 2.295 -13.588 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.539 2.889 -13.957 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.636 2.188 -14.427 1.00 0.00 N ATOM 0 H ARG A 87 9.509 -2.767 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 87 7.512 -1.872 -11.381 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.354 -2.592 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.131 -1.793 -13.114 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.184 -0.528 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.011 -0.303 -12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.424 0.214 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.347 0.745 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 87 10.326 2.286 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.761 2.974 -13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.455 3.269 -14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.498 1.724 -14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.551 2.568 -15.370 1.00 0.00 H new ATOM 1379 N PHE A 88 8.109 -4.358 -12.525 1.00 0.00 N ATOM 1380 CA PHE A 88 7.969 -5.827 -12.727 1.00 0.00 C ATOM 1381 C PHE A 88 8.583 -6.229 -14.067 1.00 0.00 C ATOM 1382 O PHE A 88 8.383 -5.581 -15.075 1.00 0.00 O ATOM 1383 CB PHE A 88 6.492 -6.220 -12.715 1.00 0.00 C ATOM 1384 CG PHE A 88 6.381 -7.715 -12.895 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.786 -8.573 -11.866 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.877 -8.243 -14.089 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.690 -9.960 -12.032 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.779 -9.630 -14.256 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.186 -10.487 -13.226 1.00 0.00 C ATOM 0 H PHE A 88 8.050 -3.791 -13.371 1.00 0.00 H new ATOM 0 HA PHE A 88 8.488 -6.341 -11.918 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.030 -5.918 -11.775 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.958 -5.704 -13.513 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.173 -8.165 -10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.563 -7.580 -14.882 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.005 -10.622 -11.239 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.390 -10.038 -15.177 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.111 -11.557 -13.354 1.00 0.00 H new ATOM 1399 N SER A 89 9.322 -7.302 -14.083 1.00 0.00 N ATOM 1400 CA SER A 89 9.944 -7.763 -15.354 1.00 0.00 C ATOM 1401 C SER A 89 9.350 -9.119 -15.732 1.00 0.00 C ATOM 1402 O SER A 89 9.216 -10.000 -14.904 1.00 0.00 O ATOM 1403 CB SER A 89 11.455 -7.899 -15.165 1.00 0.00 C ATOM 1404 OG SER A 89 12.070 -6.634 -15.371 1.00 0.00 O ATOM 0 H SER A 89 9.523 -7.881 -13.268 1.00 0.00 H new ATOM 0 HA SER A 89 9.747 -7.040 -16.146 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.676 -8.265 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.857 -8.630 -15.867 1.00 0.00 H new ATOM 0 HG SER A 89 11.785 -6.014 -14.668 1.00 0.00 H new ATOM 1410 N ARG A 90 8.989 -9.297 -16.973 1.00 0.00 N ATOM 1411 CA ARG A 90 8.403 -10.599 -17.394 1.00 0.00 C ATOM 1412 C ARG A 90 9.524 -11.539 -17.832 1.00 0.00 C ATOM 1413 O ARG A 90 9.337 -12.734 -17.948 1.00 0.00 O ATOM 1414 CB ARG A 90 7.439 -10.372 -18.560 1.00 0.00 C ATOM 1415 CG ARG A 90 6.299 -9.455 -18.110 1.00 0.00 C ATOM 1416 CD ARG A 90 6.211 -8.251 -19.050 1.00 0.00 C ATOM 1417 NE ARG A 90 5.595 -7.103 -18.328 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.568 -6.483 -18.843 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.480 -6.328 -20.136 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.630 -6.016 -18.065 1.00 0.00 N ATOM 0 H ARG A 90 9.074 -8.599 -17.711 1.00 0.00 H new ATOM 0 HA ARG A 90 7.861 -11.043 -16.559 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.968 -9.925 -19.402 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.038 -11.325 -18.905 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.356 -10.002 -18.113 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.470 -9.119 -17.087 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.205 -7.980 -19.406 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.616 -8.504 -19.928 1.00 0.00 H new ATOM 0 HE ARG A 90 5.976 -6.801 -17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.214 -6.691 -20.744 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.677 -5.844 -20.538 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.699 -6.135 -17.054 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.828 -5.532 -18.468 1.00 0.00 H new ATOM 1434 N LYS A 91 10.694 -11.011 -18.067 1.00 0.00 N ATOM 1435 CA LYS A 91 11.828 -11.879 -18.487 1.00 0.00 C ATOM 1436 C LYS A 91 12.121 -12.885 -17.374 1.00 0.00 C ATOM 1437 O LYS A 91 12.697 -13.930 -17.604 1.00 0.00 O ATOM 1438 CB LYS A 91 13.066 -11.016 -18.736 1.00 0.00 C ATOM 1439 CG LYS A 91 13.018 -10.449 -20.156 1.00 0.00 C ATOM 1440 CD LYS A 91 11.780 -9.564 -20.310 1.00 0.00 C ATOM 1441 CE LYS A 91 11.875 -8.379 -19.347 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.996 -7.114 -20.125 1.00 0.00 N ATOM 0 H LYS A 91 10.913 -10.018 -17.986 1.00 0.00 H new ATOM 0 HA LYS A 91 11.569 -12.408 -19.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.108 -10.204 -18.010 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.970 -11.611 -18.601 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.919 -9.870 -20.359 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.990 -11.261 -20.883 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.701 -9.206 -21.337 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.879 -10.142 -20.104 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.992 -8.343 -18.710 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.737 -8.498 -18.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.061 -6.309 -19.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.852 -7.150 -20.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.160 -6.999 -20.733 1.00 0.00 H new ATOM 1456 N THR A 92 11.727 -12.577 -16.168 1.00 0.00 N ATOM 1457 CA THR A 92 11.982 -13.515 -15.039 1.00 0.00 C ATOM 1458 C THR A 92 10.823 -13.440 -14.043 1.00 0.00 C ATOM 1459 O THR A 92 10.908 -13.944 -12.942 1.00 0.00 O ATOM 1460 CB THR A 92 13.283 -13.124 -14.335 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.397 -11.708 -14.308 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.473 -13.719 -15.088 1.00 0.00 C ATOM 0 H THR A 92 11.240 -11.717 -15.916 1.00 0.00 H new ATOM 0 HA THR A 92 12.067 -14.531 -15.423 1.00 0.00 H new ATOM 0 HB THR A 92 13.274 -13.508 -13.315 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.593 -11.413 -13.394 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.399 -13.439 -14.585 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.385 -14.805 -15.108 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.485 -13.337 -16.109 1.00 0.00 H new ATOM 1470 N LYS A 93 9.741 -12.812 -14.418 1.00 0.00 N ATOM 1471 CA LYS A 93 8.584 -12.706 -13.487 1.00 0.00 C ATOM 1472 C LYS A 93 9.090 -12.335 -12.092 1.00 0.00 C ATOM 1473 O LYS A 93 8.956 -13.091 -11.152 1.00 0.00 O ATOM 1474 CB LYS A 93 7.852 -14.049 -13.426 1.00 0.00 C ATOM 1475 CG LYS A 93 6.696 -14.046 -14.429 1.00 0.00 C ATOM 1476 CD LYS A 93 6.518 -15.453 -15.006 1.00 0.00 C ATOM 1477 CE LYS A 93 5.897 -16.364 -13.946 1.00 0.00 C ATOM 1478 NZ LYS A 93 6.976 -17.105 -13.234 1.00 0.00 N ATOM 0 H LYS A 93 9.610 -12.369 -15.327 1.00 0.00 H new ATOM 0 HA LYS A 93 7.898 -11.937 -13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.542 -14.862 -13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.473 -14.224 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.777 -13.723 -13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.898 -13.335 -15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.880 -15.417 -15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.481 -15.852 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.318 -15.772 -13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.207 -17.066 -14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.583 -17.972 -12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.728 -17.356 -13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.371 -16.505 -12.482 1.00 0.00 H new ATOM 1492 N GLN A 94 9.675 -11.176 -11.951 1.00 0.00 N ATOM 1493 CA GLN A 94 10.192 -10.764 -10.614 1.00 0.00 C ATOM 1494 C GLN A 94 9.916 -9.277 -10.388 1.00 0.00 C ATOM 1495 O GLN A 94 9.275 -8.624 -11.190 1.00 0.00 O ATOM 1496 CB GLN A 94 11.700 -11.016 -10.552 1.00 0.00 C ATOM 1497 CG GLN A 94 11.963 -12.521 -10.498 1.00 0.00 C ATOM 1498 CD GLN A 94 13.345 -12.819 -11.083 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.897 -12.016 -11.809 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.934 -13.948 -10.795 1.00 0.00 N ATOM 0 H GLN A 94 9.817 -10.499 -12.701 1.00 0.00 H new ATOM 0 HA GLN A 94 9.691 -11.345 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.188 -10.582 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.125 -10.530 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.909 -12.874 -9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.196 -13.055 -11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.472 -14.623 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.856 -14.155 -11.179 1.00 0.00 H new ATOM 1509 N GLN A 95 10.396 -8.733 -9.301 1.00 0.00 N ATOM 1510 CA GLN A 95 10.162 -7.288 -9.025 1.00 0.00 C ATOM 1511 C GLN A 95 11.467 -6.510 -9.207 1.00 0.00 C ATOM 1512 O GLN A 95 12.495 -6.859 -8.655 1.00 0.00 O ATOM 1513 CB GLN A 95 9.663 -7.109 -7.586 1.00 0.00 C ATOM 1514 CG GLN A 95 8.159 -6.829 -7.597 1.00 0.00 C ATOM 1515 CD GLN A 95 7.453 -7.856 -8.484 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.977 -8.922 -8.736 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.275 -7.577 -8.968 1.00 0.00 N ATOM 0 H GLN A 95 10.939 -9.228 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 95 9.412 -6.910 -9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.872 -8.006 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.193 -6.286 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.763 -6.876 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.969 -5.822 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.836 -6.681 -8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.793 -8.254 -9.559 1.00 0.00 H new ATOM 1526 N TYR A 96 11.433 -5.453 -9.974 1.00 0.00 N ATOM 1527 CA TYR A 96 12.664 -4.644 -10.186 1.00 0.00 C ATOM 1528 C TYR A 96 12.348 -3.172 -9.893 1.00 0.00 C ATOM 1529 O TYR A 96 11.354 -2.644 -10.338 1.00 0.00 O ATOM 1530 CB TYR A 96 13.160 -4.828 -11.631 1.00 0.00 C ATOM 1531 CG TYR A 96 12.452 -3.881 -12.576 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.861 -2.545 -12.663 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.400 -4.346 -13.374 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.217 -1.673 -13.549 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.758 -3.474 -14.262 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.166 -2.137 -14.349 1.00 0.00 C ATOM 1537 OH TYR A 96 10.533 -1.278 -15.224 1.00 0.00 O ATOM 0 H TYR A 96 10.604 -5.116 -10.463 1.00 0.00 H new ATOM 0 HA TYR A 96 13.455 -4.974 -9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.235 -4.654 -11.675 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.991 -5.857 -11.948 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.673 -2.187 -12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.084 -5.376 -13.305 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.531 -0.642 -13.615 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.948 -3.833 -14.880 1.00 0.00 H new ATOM 0 HH TYR A 96 9.828 -1.761 -15.703 1.00 0.00 H new ATOM 1547 N VAL A 97 13.178 -2.515 -9.134 1.00 0.00 N ATOM 1548 CA VAL A 97 12.913 -1.084 -8.795 1.00 0.00 C ATOM 1549 C VAL A 97 13.537 -0.184 -9.859 1.00 0.00 C ATOM 1550 O VAL A 97 14.394 -0.594 -10.606 1.00 0.00 O ATOM 1551 CB VAL A 97 13.545 -0.765 -7.434 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.734 0.317 -6.727 1.00 0.00 C ATOM 1553 CG2 VAL A 97 13.567 -2.026 -6.564 1.00 0.00 C ATOM 0 H VAL A 97 14.030 -2.905 -8.732 1.00 0.00 H new ATOM 0 HA VAL A 97 11.837 -0.911 -8.756 1.00 0.00 H new ATOM 0 HB VAL A 97 14.564 -0.412 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.188 0.539 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.721 1.220 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.713 -0.034 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.017 -1.794 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.548 -2.382 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.152 -2.800 -7.060 1.00 0.00 H new ATOM 1563 N SER A 98 13.117 1.042 -9.943 1.00 0.00 N ATOM 1564 CA SER A 98 13.706 1.948 -10.966 1.00 0.00 C ATOM 1565 C SER A 98 13.650 3.393 -10.465 1.00 0.00 C ATOM 1566 O SER A 98 12.602 3.905 -10.126 1.00 0.00 O ATOM 1567 CB SER A 98 12.930 1.813 -12.273 1.00 0.00 C ATOM 1568 OG SER A 98 13.699 1.058 -13.199 1.00 0.00 O ATOM 0 H SER A 98 12.396 1.457 -9.353 1.00 0.00 H new ATOM 0 HA SER A 98 14.747 1.675 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.973 1.323 -12.092 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.711 2.799 -12.683 1.00 0.00 H new ATOM 0 HG SER A 98 14.626 1.376 -13.190 1.00 0.00 H new ATOM 1574 N SER A 99 14.776 4.050 -10.408 1.00 0.00 N ATOM 1575 CA SER A 99 14.803 5.457 -9.921 1.00 0.00 C ATOM 1576 C SER A 99 14.236 6.384 -10.998 1.00 0.00 C ATOM 1577 O SER A 99 14.782 6.505 -12.076 1.00 0.00 O ATOM 1578 CB SER A 99 16.246 5.854 -9.613 1.00 0.00 C ATOM 1579 OG SER A 99 17.024 4.680 -9.423 1.00 0.00 O ATOM 0 H SER A 99 15.683 3.670 -10.679 1.00 0.00 H new ATOM 0 HA SER A 99 14.198 5.543 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.655 6.447 -10.431 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.281 6.477 -8.719 1.00 0.00 H new ATOM 0 HG SER A 99 17.407 4.684 -8.521 1.00 0.00 H new ATOM 1585 N GLU A 100 13.144 7.038 -10.715 1.00 0.00 N ATOM 1586 CA GLU A 100 12.545 7.956 -11.725 1.00 0.00 C ATOM 1587 C GLU A 100 12.678 9.402 -11.244 1.00 0.00 C ATOM 1588 O GLU A 100 12.301 9.735 -10.137 1.00 0.00 O ATOM 1589 CB GLU A 100 11.064 7.614 -11.910 1.00 0.00 C ATOM 1590 CG GLU A 100 10.928 6.455 -12.899 1.00 0.00 C ATOM 1591 CD GLU A 100 9.834 5.500 -12.420 1.00 0.00 C ATOM 1592 OE1 GLU A 100 10.035 4.867 -11.396 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.815 5.417 -13.083 1.00 0.00 O ATOM 0 H GLU A 100 12.641 6.977 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 100 13.067 7.840 -12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.620 7.343 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.522 8.485 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.684 6.836 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.876 5.924 -12.986 1.00 0.00 H new ATOM 1600 N LYS A 101 13.212 10.263 -12.066 1.00 0.00 N ATOM 1601 CA LYS A 101 13.369 11.686 -11.655 1.00 0.00 C ATOM 1602 C LYS A 101 12.066 12.447 -11.904 1.00 0.00 C ATOM 1603 O LYS A 101 11.873 13.038 -12.948 1.00 0.00 O ATOM 1604 CB LYS A 101 14.493 12.324 -12.449 1.00 0.00 C ATOM 1605 CG LYS A 101 15.547 12.799 -11.458 1.00 0.00 C ATOM 1606 CD LYS A 101 16.072 14.161 -11.886 1.00 0.00 C ATOM 1607 CE LYS A 101 17.520 14.030 -12.364 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.796 15.064 -13.401 1.00 0.00 N ATOM 0 H LYS A 101 13.546 10.042 -13.004 1.00 0.00 H new ATOM 0 HA LYS A 101 13.608 11.727 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.922 11.607 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.118 13.160 -13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.119 12.861 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.366 12.081 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.451 14.566 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.016 14.861 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.204 14.151 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.690 13.034 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.780 14.976 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.152 14.929 -14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.649 16.010 -12.995 1.00 0.00 H new ATOM 1622 N ASP A 102 11.171 12.438 -10.954 1.00 0.00 N ATOM 1623 CA ASP A 102 9.882 13.161 -11.139 1.00 0.00 C ATOM 1624 C ASP A 102 8.970 12.356 -12.068 1.00 0.00 C ATOM 1625 O ASP A 102 7.860 12.756 -12.360 1.00 0.00 O ATOM 1626 CB ASP A 102 10.153 14.536 -11.754 1.00 0.00 C ATOM 1627 CG ASP A 102 9.296 15.588 -11.048 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.423 15.203 -10.289 1.00 0.00 O ATOM 1629 OD2 ASP A 102 9.528 16.764 -11.280 1.00 0.00 O ATOM 0 H ASP A 102 11.277 11.961 -10.058 1.00 0.00 H new ATOM 0 HA ASP A 102 9.394 13.284 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.209 14.788 -11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.925 14.521 -12.820 1.00 0.00 H new ATOM 1634 N GLY A 103 9.427 11.227 -12.536 1.00 0.00 N ATOM 1635 CA GLY A 103 8.583 10.401 -13.445 1.00 0.00 C ATOM 1636 C GLY A 103 9.169 10.432 -14.857 1.00 0.00 C ATOM 1637 O GLY A 103 8.473 10.243 -15.834 1.00 0.00 O ATOM 0 H GLY A 103 10.348 10.841 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.537 9.374 -13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.562 10.782 -13.456 1.00 0.00 H new ATOM 1641 N LYS A 104 10.447 10.671 -14.974 1.00 0.00 N ATOM 1642 CA LYS A 104 11.077 10.714 -16.323 1.00 0.00 C ATOM 1643 C LYS A 104 11.917 9.452 -16.535 1.00 0.00 C ATOM 1644 O LYS A 104 12.740 9.385 -17.427 1.00 0.00 O ATOM 1645 CB LYS A 104 11.976 11.948 -16.427 1.00 0.00 C ATOM 1646 CG LYS A 104 13.088 11.858 -15.380 1.00 0.00 C ATOM 1647 CD LYS A 104 14.450 11.896 -16.077 1.00 0.00 C ATOM 1648 CE LYS A 104 14.980 13.332 -16.086 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.662 13.600 -17.383 1.00 0.00 N ATOM 0 H LYS A 104 11.082 10.838 -14.193 1.00 0.00 H new ATOM 0 HA LYS A 104 10.299 10.765 -17.085 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.407 12.014 -17.426 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.389 12.853 -16.273 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.005 12.685 -14.674 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.987 10.937 -14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.152 11.241 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.358 11.525 -17.098 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.160 14.035 -15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.675 13.480 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.023 14.575 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.454 12.937 -17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.986 13.475 -18.163 1.00 0.00 H new ATOM 1663 N ALA A 105 11.716 8.452 -15.722 1.00 0.00 N ATOM 1664 CA ALA A 105 12.503 7.196 -15.877 1.00 0.00 C ATOM 1665 C ALA A 105 13.973 7.543 -16.117 1.00 0.00 C ATOM 1666 O ALA A 105 14.405 7.713 -17.240 1.00 0.00 O ATOM 1667 CB ALA A 105 11.965 6.401 -17.069 1.00 0.00 C ATOM 0 H ALA A 105 11.041 8.450 -14.957 1.00 0.00 H new ATOM 0 HA ALA A 105 12.414 6.597 -14.971 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.540 5.482 -17.183 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.917 6.154 -16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.054 7.000 -17.976 1.00 0.00 H new ATOM 1673 N THR A 106 14.746 7.649 -15.071 1.00 0.00 N ATOM 1674 CA THR A 106 16.188 7.985 -15.241 1.00 0.00 C ATOM 1675 C THR A 106 16.910 6.813 -15.908 1.00 0.00 C ATOM 1676 O THR A 106 17.847 6.994 -16.660 1.00 0.00 O ATOM 1677 CB THR A 106 16.813 8.255 -13.869 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.823 7.054 -13.111 1.00 0.00 O ATOM 1679 CG2 THR A 106 15.996 9.318 -13.134 1.00 0.00 C ATOM 0 H THR A 106 14.442 7.518 -14.106 1.00 0.00 H new ATOM 0 HA THR A 106 16.283 8.873 -15.866 1.00 0.00 H new ATOM 0 HB THR A 106 17.835 8.612 -13.999 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.107 7.083 -12.443 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.442 9.509 -12.158 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.990 10.239 -13.717 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.973 8.965 -13.003 1.00 0.00 H new ATOM 1687 N GLY A 107 16.481 5.609 -15.639 1.00 0.00 N ATOM 1688 CA GLY A 107 17.145 4.427 -16.259 1.00 0.00 C ATOM 1689 C GLY A 107 17.651 3.490 -15.160 1.00 0.00 C ATOM 1690 O GLY A 107 17.729 2.292 -15.341 1.00 0.00 O ATOM 0 H GLY A 107 15.701 5.394 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.443 3.900 -16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.976 4.751 -16.886 1.00 0.00 H new ATOM 1694 N TRP A 108 17.996 4.028 -14.022 1.00 0.00 N ATOM 1695 CA TRP A 108 18.497 3.168 -12.914 1.00 0.00 C ATOM 1696 C TRP A 108 17.430 2.141 -12.539 1.00 0.00 C ATOM 1697 O TRP A 108 16.285 2.476 -12.308 1.00 0.00 O ATOM 1698 CB TRP A 108 18.806 4.036 -11.694 1.00 0.00 C ATOM 1699 CG TRP A 108 19.451 3.198 -10.634 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.778 3.161 -10.381 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.827 2.281 -9.685 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.011 2.284 -9.336 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.840 1.717 -8.873 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.496 1.888 -9.449 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.543 0.796 -7.867 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.195 0.962 -8.437 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.216 0.418 -7.647 1.00 0.00 C ATOM 0 H TRP A 108 17.952 5.025 -13.812 1.00 0.00 H new ATOM 0 HA TRP A 108 19.402 2.654 -13.239 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.466 4.856 -11.976 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.889 4.483 -11.311 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.534 3.724 -10.908 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.935 2.081 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.700 2.302 -10.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.334 0.378 -7.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.170 0.667 -8.267 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.978 -0.292 -6.869 1.00 0.00 H new ATOM 1718 N SER A 109 17.796 0.893 -12.466 1.00 0.00 N ATOM 1719 CA SER A 109 16.806 -0.153 -12.093 1.00 0.00 C ATOM 1720 C SER A 109 17.387 -1.005 -10.961 1.00 0.00 C ATOM 1721 O SER A 109 18.507 -0.808 -10.537 1.00 0.00 O ATOM 1722 CB SER A 109 16.517 -1.044 -13.302 1.00 0.00 C ATOM 1723 OG SER A 109 17.680 -1.796 -13.621 1.00 0.00 O ATOM 0 H SER A 109 18.740 0.552 -12.649 1.00 0.00 H new ATOM 0 HA SER A 109 15.879 0.319 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.685 -1.714 -13.084 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.219 -0.434 -14.155 1.00 0.00 H new ATOM 0 HG SER A 109 17.497 -2.369 -14.395 1.00 0.00 H new ATOM 1729 N ALA A 110 16.635 -1.951 -10.472 1.00 0.00 N ATOM 1730 CA ALA A 110 17.140 -2.819 -9.375 1.00 0.00 C ATOM 1731 C ALA A 110 16.451 -4.177 -9.471 1.00 0.00 C ATOM 1732 O ALA A 110 15.352 -4.285 -9.970 1.00 0.00 O ATOM 1733 CB ALA A 110 16.825 -2.177 -8.023 1.00 0.00 C ATOM 0 H ALA A 110 15.688 -2.160 -10.787 1.00 0.00 H new ATOM 0 HA ALA A 110 18.219 -2.942 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.196 -2.816 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.307 -1.201 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 110 15.747 -2.056 -7.920 1.00 0.00 H new ATOM 1739 N PHE A 111 17.077 -5.214 -9.000 1.00 0.00 N ATOM 1740 CA PHE A 111 16.432 -6.553 -9.078 1.00 0.00 C ATOM 1741 C PHE A 111 16.395 -7.192 -7.694 1.00 0.00 C ATOM 1742 O PHE A 111 17.351 -7.152 -6.957 1.00 0.00 O ATOM 1743 CB PHE A 111 17.228 -7.447 -10.029 1.00 0.00 C ATOM 1744 CG PHE A 111 17.280 -6.817 -11.400 1.00 0.00 C ATOM 1745 CD1 PHE A 111 16.204 -6.965 -12.281 1.00 0.00 C ATOM 1746 CD2 PHE A 111 18.410 -6.090 -11.789 1.00 0.00 C ATOM 1747 CE1 PHE A 111 16.258 -6.382 -13.552 1.00 0.00 C ATOM 1748 CE2 PHE A 111 18.465 -5.509 -13.060 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.389 -5.655 -13.941 1.00 0.00 C ATOM 0 H PHE A 111 18.000 -5.196 -8.567 1.00 0.00 H new ATOM 0 HA PHE A 111 15.413 -6.439 -9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 111 18.238 -7.592 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.766 -8.432 -10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 111 15.333 -7.528 -11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 111 19.240 -5.977 -11.108 1.00 0.00 H new ATOM 0 HE1 PHE A 111 15.427 -6.493 -14.233 1.00 0.00 H new ATOM 0 HE2 PHE A 111 19.338 -4.948 -13.361 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.431 -5.206 -14.923 1.00 0.00 H new ATOM 1759 N TYR A 112 15.298 -7.791 -7.337 1.00 0.00 N ATOM 1760 CA TYR A 112 15.223 -8.436 -5.997 1.00 0.00 C ATOM 1761 C TYR A 112 15.751 -9.867 -6.100 1.00 0.00 C ATOM 1762 O TYR A 112 15.094 -10.743 -6.625 1.00 0.00 O ATOM 1763 CB TYR A 112 13.774 -8.461 -5.511 1.00 0.00 C ATOM 1764 CG TYR A 112 13.735 -9.021 -4.109 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.425 -8.371 -3.078 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.015 -10.191 -3.840 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.396 -8.891 -1.779 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.985 -10.711 -2.541 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.676 -10.061 -1.511 1.00 0.00 C ATOM 1770 OH TYR A 112 13.645 -10.574 -0.230 1.00 0.00 O ATOM 0 H TYR A 112 14.456 -7.863 -7.908 1.00 0.00 H new ATOM 0 HA TYR A 112 15.826 -7.869 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.354 -7.455 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.164 -9.071 -6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 112 14.980 -7.468 -3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.483 -10.692 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.929 -8.390 -0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.429 -11.613 -2.333 1.00 0.00 H new ATOM 0 HH TYR A 112 13.947 -9.890 0.404 1.00 0.00 H new ATOM 1780 N VAL A 113 16.932 -10.114 -5.601 1.00 0.00 N ATOM 1781 CA VAL A 113 17.489 -11.486 -5.671 1.00 0.00 C ATOM 1782 C VAL A 113 17.140 -12.221 -4.376 1.00 0.00 C ATOM 1783 O VAL A 113 16.100 -12.000 -3.802 1.00 0.00 O ATOM 1784 CB VAL A 113 19.009 -11.417 -5.860 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.500 -12.711 -6.513 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.361 -10.235 -6.772 1.00 0.00 C ATOM 0 H VAL A 113 17.531 -9.423 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 113 17.063 -12.024 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 113 19.486 -11.287 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.581 -12.663 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 113 19.251 -13.558 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 113 19.018 -12.835 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.442 -10.187 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.881 -10.368 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.010 -9.308 -6.318 1.00 0.00 H new ATOM 1796 N ASP A 114 18.007 -13.062 -3.889 1.00 0.00 N ATOM 1797 CA ASP A 114 17.704 -13.788 -2.619 1.00 0.00 C ATOM 1798 C ASP A 114 17.726 -12.760 -1.512 1.00 0.00 C ATOM 1799 O ASP A 114 18.751 -12.517 -0.905 1.00 0.00 O ATOM 1800 CB ASP A 114 18.770 -14.854 -2.362 1.00 0.00 C ATOM 1801 CG ASP A 114 18.153 -16.015 -1.579 1.00 0.00 C ATOM 1802 OD1 ASP A 114 17.312 -16.700 -2.138 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.532 -16.200 -0.435 1.00 0.00 O ATOM 0 H ASP A 114 18.910 -13.280 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 114 16.735 -14.285 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.175 -15.214 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.601 -14.425 -1.802 1.00 0.00 H new ATOM 1808 N GLY A 115 16.627 -12.090 -1.286 1.00 0.00 N ATOM 1809 CA GLY A 115 16.645 -11.012 -0.269 1.00 0.00 C ATOM 1810 C GLY A 115 17.860 -10.157 -0.609 1.00 0.00 C ATOM 1811 O GLY A 115 18.470 -9.539 0.240 1.00 0.00 O ATOM 0 H GLY A 115 15.734 -12.242 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.728 -10.424 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.722 -11.423 0.738 1.00 0.00 H new ATOM 1815 N LYS A 116 18.239 -10.171 -1.872 1.00 0.00 N ATOM 1816 CA LYS A 116 19.446 -9.414 -2.295 1.00 0.00 C ATOM 1817 C LYS A 116 19.121 -8.478 -3.458 1.00 0.00 C ATOM 1818 O LYS A 116 19.376 -8.793 -4.602 1.00 0.00 O ATOM 1819 CB LYS A 116 20.528 -10.402 -2.736 1.00 0.00 C ATOM 1820 CG LYS A 116 21.398 -10.777 -1.535 1.00 0.00 C ATOM 1821 CD LYS A 116 21.995 -9.510 -0.919 1.00 0.00 C ATOM 1822 CE LYS A 116 23.215 -9.880 -0.074 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.764 -10.491 1.209 1.00 0.00 N ATOM 0 H LYS A 116 17.760 -10.675 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 116 19.796 -8.817 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.069 -11.296 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 116 21.143 -9.959 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 116 20.802 -11.308 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.195 -11.452 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.282 -8.811 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.251 -9.007 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.850 -10.579 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.816 -8.992 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.593 -10.743 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.175 -9.810 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.208 -11.347 1.009 1.00 0.00 H new ATOM 1837 N TRP A 117 18.578 -7.323 -3.185 1.00 0.00 N ATOM 1838 CA TRP A 117 18.269 -6.386 -4.298 1.00 0.00 C ATOM 1839 C TRP A 117 19.555 -6.107 -5.081 1.00 0.00 C ATOM 1840 O TRP A 117 20.647 -6.328 -4.596 1.00 0.00 O ATOM 1841 CB TRP A 117 17.713 -5.077 -3.740 1.00 0.00 C ATOM 1842 CG TRP A 117 16.238 -5.208 -3.547 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.628 -5.373 -2.352 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.176 -5.192 -4.550 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.264 -5.459 -2.552 1.00 0.00 N ATOM 1846 CE2 TRP A 117 13.934 -5.352 -3.889 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.165 -5.055 -5.953 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.729 -5.376 -4.591 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 13.953 -5.079 -6.660 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.738 -5.238 -5.981 1.00 0.00 C ATOM 0 H TRP A 117 18.338 -6.992 -2.251 1.00 0.00 H new ATOM 0 HA TRP A 117 17.523 -6.832 -4.955 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.195 -4.839 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 117 17.930 -4.256 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.127 -5.429 -1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.583 -5.586 -1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.095 -4.931 -6.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 11.795 -5.500 -4.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 13.957 -4.974 -7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 117 11.809 -5.254 -6.532 1.00 0.00 H new ATOM 1861 N VAL A 118 19.439 -5.624 -6.287 1.00 0.00 N ATOM 1862 CA VAL A 118 20.659 -5.336 -7.096 1.00 0.00 C ATOM 1863 C VAL A 118 20.387 -4.126 -7.991 1.00 0.00 C ATOM 1864 O VAL A 118 19.394 -3.444 -7.839 1.00 0.00 O ATOM 1865 CB VAL A 118 21.022 -6.547 -7.974 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.392 -7.079 -7.570 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.992 -7.662 -7.800 1.00 0.00 C ATOM 0 H VAL A 118 18.553 -5.416 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 118 21.492 -5.129 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 118 21.034 -6.227 -9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.647 -7.936 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 118 23.140 -6.297 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 118 22.370 -7.384 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.264 -8.510 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.968 -7.976 -6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.007 -7.296 -8.091 1.00 0.00 H new ATOM 1877 N GLU A 119 21.259 -3.856 -8.925 1.00 0.00 N ATOM 1878 CA GLU A 119 21.044 -2.689 -9.827 1.00 0.00 C ATOM 1879 C GLU A 119 21.753 -2.936 -11.159 1.00 0.00 C ATOM 1880 O GLU A 119 22.963 -3.022 -11.223 1.00 0.00 O ATOM 1881 CB GLU A 119 21.610 -1.426 -9.173 1.00 0.00 C ATOM 1882 CG GLU A 119 23.007 -1.716 -8.623 1.00 0.00 C ATOM 1883 CD GLU A 119 22.888 -2.425 -7.273 1.00 0.00 C ATOM 1884 OE1 GLU A 119 21.811 -2.388 -6.700 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.875 -2.992 -6.835 1.00 0.00 O ATOM 0 H GLU A 119 22.109 -4.392 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 119 19.976 -2.559 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.656 -0.616 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 119 20.953 -1.095 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.563 -2.338 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.565 -0.786 -8.509 1.00 0.00 H new ATOM 1892 N GLY A 120 21.010 -3.050 -12.226 1.00 0.00 N ATOM 1893 CA GLY A 120 21.641 -3.291 -13.555 1.00 0.00 C ATOM 1894 C GLY A 120 21.959 -1.952 -14.220 1.00 0.00 C ATOM 1895 O GLY A 120 22.581 -1.088 -13.634 1.00 0.00 O ATOM 0 H GLY A 120 19.992 -2.987 -12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.553 -3.875 -13.435 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.970 -3.873 -14.187 1.00 0.00 H new