USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 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 68 TYR OH : rot 58:sc= -0.783 USER MOD Set 1.2: A 72 GLN : amide:sc= 0.175 K(o=-0.61,f=-1.4) USER MOD Set 2.1: A 50 ASN : amide:sc= -3.2 K(o=-5.7,f=-11!) USER MOD Set 2.2: A 69 MET CE :methyl 143:sc= -2.52 (180deg=-2.31!) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -0.51 F(o=-1.7!,f=-0.51) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0355) USER MOD Single : A 28 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.3!) USER MOD Single : A 30 THR OG1 : rot -130:sc= -2.47 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.801 F(o=-3.5!,f=-0.8) USER MOD Single : A 33 SER OG : rot 6:sc= -1.76! USER MOD Single : A 35 THR OG1 : rot -156:sc= -0.979 USER MOD Single : A 37 GLN : amide:sc= -0.0675 K(o=-0.068,f=-4.5!) USER MOD Single : A 42 SER OG : rot -9:sc= 0.59! USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.0637 (180deg=-0.393) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.04 K(o=-2,f=-12!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 111:sc= -0.254! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 25:sc= 0.0342 USER MOD Single : A 84 MET CE :methyl 141:sc= -2.97! (180deg=-5.69!) USER MOD Single : A 86 CYS SG : rot 92:sc= 0.0268 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -163:sc= 1.22 USER MOD Single : A 94 ASN : amide:sc= -1.6 K(o=-1.6,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 99 SER OG : rot -75:sc= 0.0145 USER MOD Single : A 102 SER OG : rot 130:sc= 0.247 USER MOD Single : A 107 TYR OH : rot -147:sc= 0.859 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -159:sc= -0.113 USER MOD Single : A 110 SER OG : rot 77:sc= 0.00662 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.588 13.335 -0.673 1.00 0.00 N ATOM 215 CA PRO A 18 0.915 12.676 -1.796 1.00 0.00 C ATOM 216 C PRO A 18 -0.338 11.924 -1.362 1.00 0.00 C ATOM 217 O PRO A 18 -0.633 11.827 -0.170 1.00 0.00 O ATOM 218 CB PRO A 18 1.971 11.699 -2.319 1.00 0.00 C ATOM 219 CG PRO A 18 2.847 11.425 -1.146 1.00 0.00 C ATOM 220 CD PRO A 18 2.873 12.696 -0.343 1.00 0.00 C ATOM 0 HA PRO A 18 0.571 13.393 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.513 10.784 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.537 12.132 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.458 10.597 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.851 11.145 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.959 12.495 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.718 13.327 -0.618 1.00 0.00 H new ATOM 228 N ASP A 19 -1.071 11.393 -2.334 1.00 0.00 N ATOM 229 CA ASP A 19 -2.292 10.648 -2.051 1.00 0.00 C ATOM 230 C ASP A 19 -1.968 9.257 -1.514 1.00 0.00 C ATOM 231 O ASP A 19 -0.912 8.698 -1.811 1.00 0.00 O ATOM 232 CB ASP A 19 -3.149 10.534 -3.313 1.00 0.00 C ATOM 233 CG ASP A 19 -3.972 11.781 -3.569 1.00 0.00 C ATOM 234 OD1 ASP A 19 -3.380 12.878 -3.638 1.00 0.00 O ATOM 235 OD2 ASP A 19 -5.208 11.660 -3.699 1.00 0.00 O ATOM 0 H ASP A 19 -0.841 11.465 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.851 11.191 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.504 10.346 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.815 9.676 -3.220 1.00 0.00 H new ATOM 240 N ILE A 20 -2.882 8.707 -0.722 1.00 0.00 N ATOM 241 CA ILE A 20 -2.693 7.382 -0.144 1.00 0.00 C ATOM 242 C ILE A 20 -2.692 6.306 -1.224 1.00 0.00 C ATOM 243 O ILE A 20 -3.678 6.101 -1.931 1.00 0.00 O ATOM 244 CB ILE A 20 -3.789 7.057 0.888 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.793 8.102 2.006 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.580 5.663 1.461 1.00 0.00 C ATOM 247 CD1 ILE A 20 -5.018 8.034 2.892 1.00 0.00 C ATOM 0 H ILE A 20 -3.760 9.158 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.725 7.391 0.357 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.757 7.082 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.902 7.969 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.729 9.096 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.362 5.448 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.621 4.929 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.607 5.612 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.953 8.803 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.912 8.197 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.072 7.053 3.363 1.00 0.00 H new ATOM 259 N PRO A 21 -1.559 5.600 -1.354 1.00 0.00 N ATOM 260 CA PRO A 21 -1.403 4.530 -2.345 1.00 0.00 C ATOM 261 C PRO A 21 -2.245 3.303 -2.011 1.00 0.00 C ATOM 262 O PRO A 21 -2.325 2.890 -0.855 1.00 0.00 O ATOM 263 CB PRO A 21 0.088 4.192 -2.269 1.00 0.00 C ATOM 264 CG PRO A 21 0.499 4.596 -0.895 1.00 0.00 C ATOM 265 CD PRO A 21 -0.344 5.791 -0.545 1.00 0.00 C ATOM 0 HA PRO A 21 -1.734 4.840 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.262 3.129 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.655 4.732 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.339 3.784 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.560 4.844 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.572 5.824 0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.161 6.725 -0.792 1.00 0.00 H new ATOM 273 N ASN A 22 -2.870 2.725 -3.031 1.00 0.00 N ATOM 274 CA ASN A 22 -3.707 1.545 -2.845 1.00 0.00 C ATOM 275 C ASN A 22 -2.946 0.451 -2.101 1.00 0.00 C ATOM 276 O ASN A 22 -1.717 0.390 -2.124 1.00 0.00 O ATOM 277 CB ASN A 22 -4.189 1.017 -4.197 1.00 0.00 C ATOM 278 CG ASN A 22 -4.332 2.119 -5.230 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.249 2.406 -5.943 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -5.404 2.704 -5.384 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.813 3.054 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.571 1.834 -2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.486 0.268 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.149 0.517 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.210 2.450 -4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.486 3.443 -6.082 1.00 0.00 H new ATOM 287 N PRO A 23 -3.694 -0.435 -1.426 1.00 0.00 N ATOM 288 CA PRO A 23 -3.112 -1.543 -0.663 1.00 0.00 C ATOM 289 C PRO A 23 -2.493 -2.605 -1.566 1.00 0.00 C ATOM 290 O PRO A 23 -2.973 -2.875 -2.667 1.00 0.00 O ATOM 291 CB PRO A 23 -4.309 -2.119 0.096 1.00 0.00 C ATOM 292 CG PRO A 23 -5.494 -1.749 -0.728 1.00 0.00 C ATOM 293 CD PRO A 23 -5.164 -0.422 -1.355 1.00 0.00 C ATOM 0 HA PRO A 23 -2.300 -1.210 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.225 -3.200 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.379 -1.701 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.690 -2.503 -1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.391 -1.678 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.613 -0.322 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.530 0.409 -0.752 1.00 0.00 H new ATOM 301 N PRO A 24 -1.402 -3.224 -1.091 1.00 0.00 N ATOM 302 CA PRO A 24 -0.694 -4.267 -1.839 1.00 0.00 C ATOM 303 C PRO A 24 -1.502 -5.557 -1.939 1.00 0.00 C ATOM 304 O PRO A 24 -2.281 -5.883 -1.044 1.00 0.00 O ATOM 305 CB PRO A 24 0.576 -4.494 -1.016 1.00 0.00 C ATOM 306 CG PRO A 24 0.212 -4.077 0.367 1.00 0.00 C ATOM 307 CD PRO A 24 -0.774 -2.952 0.214 1.00 0.00 C ATOM 0 HA PRO A 24 -0.502 -3.971 -2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.885 -5.539 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.408 -3.904 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.226 -4.907 0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.092 -3.752 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.508 -2.948 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.280 -1.980 0.228 1.00 0.00 H new ATOM 315 N ARG A 25 -1.309 -6.287 -3.033 1.00 0.00 N ATOM 316 CA ARG A 25 -2.021 -7.541 -3.250 1.00 0.00 C ATOM 317 C ARG A 25 -1.100 -8.735 -3.015 1.00 0.00 C ATOM 318 O ARG A 25 0.115 -8.581 -2.897 1.00 0.00 O ATOM 319 CB ARG A 25 -2.588 -7.591 -4.669 1.00 0.00 C ATOM 320 CG ARG A 25 -1.560 -7.287 -5.747 1.00 0.00 C ATOM 321 CD ARG A 25 -2.177 -7.340 -7.136 1.00 0.00 C ATOM 322 NE ARG A 25 -3.277 -6.390 -7.283 1.00 0.00 N ATOM 323 CZ ARG A 25 -4.016 -6.286 -8.382 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.774 -7.068 -9.424 1.00 0.00 N ATOM 325 NH2 ARG A 25 -5.000 -5.397 -8.439 1.00 0.00 N ATOM 0 H ARG A 25 -0.666 -6.032 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.843 -7.592 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.008 -8.581 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.408 -6.877 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.132 -6.299 -5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.742 -8.004 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.411 -7.126 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.540 -8.349 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.489 -5.773 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.019 -7.752 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.343 -6.986 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.189 -4.793 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.567 -5.317 -9.283 1.00 0.00 H new ATOM 339 N ILE A 26 -1.689 -9.925 -2.950 1.00 0.00 N ATOM 340 CA ILE A 26 -0.922 -11.145 -2.731 1.00 0.00 C ATOM 341 C ILE A 26 -0.575 -11.821 -4.052 1.00 0.00 C ATOM 342 O ILE A 26 -1.458 -12.148 -4.844 1.00 0.00 O ATOM 343 CB ILE A 26 -1.691 -12.141 -1.843 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.515 -11.783 -0.366 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.217 -13.562 -2.109 1.00 0.00 C ATOM 346 CD1 ILE A 26 -0.144 -12.117 0.178 1.00 0.00 C ATOM 0 H ILE A 26 -2.694 -10.070 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.003 -10.853 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.751 -12.080 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.699 -10.717 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.268 -12.311 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.769 -14.255 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.389 -13.813 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.152 -13.638 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.092 -11.836 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.036 -13.187 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.613 -11.569 -0.382 1.00 0.00 H new ATOM 358 N ALA A 27 0.717 -12.030 -4.283 1.00 0.00 N ATOM 359 CA ALA A 27 1.181 -12.671 -5.507 1.00 0.00 C ATOM 360 C ALA A 27 1.719 -14.069 -5.225 1.00 0.00 C ATOM 361 O ALA A 27 1.894 -14.873 -6.139 1.00 0.00 O ATOM 362 CB ALA A 27 2.248 -11.819 -6.178 1.00 0.00 C ATOM 0 H ALA A 27 1.461 -11.764 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 27 0.330 -12.767 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.585 -12.310 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.832 -10.842 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.093 -11.693 -5.500 1.00 0.00 H new ATOM 368 N ASN A 28 1.979 -14.352 -3.952 1.00 0.00 N ATOM 369 CA ASN A 28 2.498 -15.654 -3.549 1.00 0.00 C ATOM 370 C ASN A 28 2.604 -15.751 -2.031 1.00 0.00 C ATOM 371 O ASN A 28 3.398 -15.047 -1.407 1.00 0.00 O ATOM 372 CB ASN A 28 3.869 -15.899 -4.184 1.00 0.00 C ATOM 373 CG ASN A 28 4.270 -17.360 -4.149 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.419 -18.250 -4.178 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.572 -17.615 -4.086 1.00 0.00 N ATOM 0 H ASN A 28 1.839 -13.697 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 28 1.802 -16.418 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.854 -15.554 -5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.620 -15.307 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.902 -18.580 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.242 -16.846 -4.064 1.00 0.00 H new ATOM 382 N ARG A 29 1.799 -16.630 -1.442 1.00 0.00 N ATOM 383 CA ARG A 29 1.802 -16.819 0.004 1.00 0.00 C ATOM 384 C ARG A 29 2.201 -18.247 0.365 1.00 0.00 C ATOM 385 O ARG A 29 1.634 -19.211 -0.152 1.00 0.00 O ATOM 386 CB ARG A 29 0.423 -16.501 0.584 1.00 0.00 C ATOM 387 CG ARG A 29 -0.727 -16.907 -0.323 1.00 0.00 C ATOM 388 CD ARG A 29 -2.072 -16.699 0.356 1.00 0.00 C ATOM 389 NE ARG A 29 -3.188 -16.985 -0.541 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.634 -18.211 -0.791 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.062 -19.259 -0.215 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.655 -18.391 -1.620 1.00 0.00 N ATOM 0 H ARG A 29 1.137 -17.222 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 29 2.535 -16.136 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.315 -17.009 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.359 -15.431 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.689 -16.325 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.618 -17.955 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.138 -17.342 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.145 -15.670 0.709 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.650 -16.201 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.277 -19.125 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.407 -20.199 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.098 -17.587 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.997 -19.333 -1.811 1.00 0.00 H new ATOM 406 N THR A 30 3.180 -18.376 1.255 1.00 0.00 N ATOM 407 CA THR A 30 3.656 -19.685 1.683 1.00 0.00 C ATOM 408 C THR A 30 3.525 -19.850 3.193 1.00 0.00 C ATOM 409 O THR A 30 3.120 -18.925 3.897 1.00 0.00 O ATOM 410 CB THR A 30 5.125 -19.909 1.279 1.00 0.00 C ATOM 411 OG1 THR A 30 5.818 -18.657 1.239 1.00 0.00 O ATOM 412 CG2 THR A 30 5.215 -20.588 -0.080 1.00 0.00 C ATOM 0 H THR A 30 3.659 -17.589 1.693 1.00 0.00 H new ATOM 0 HA THR A 30 3.033 -20.427 1.183 1.00 0.00 H new ATOM 0 HB THR A 30 5.589 -20.557 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.300 -18.577 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.262 -20.736 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.711 -21.554 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.736 -19.961 -0.832 1.00 0.00 H new ATOM 420 N LYS A 31 3.872 -21.035 3.686 1.00 0.00 N ATOM 421 CA LYS A 31 3.795 -21.322 5.113 1.00 0.00 C ATOM 422 C LYS A 31 5.059 -20.856 5.830 1.00 0.00 C ATOM 423 O LYS A 31 5.135 -20.891 7.057 1.00 0.00 O ATOM 424 CB LYS A 31 3.589 -22.821 5.343 1.00 0.00 C ATOM 425 CG LYS A 31 2.415 -23.398 4.572 1.00 0.00 C ATOM 426 CD LYS A 31 2.344 -24.910 4.713 1.00 0.00 C ATOM 427 CE LYS A 31 1.188 -25.491 3.914 1.00 0.00 C ATOM 428 NZ LYS A 31 1.118 -26.973 4.038 1.00 0.00 N ATOM 0 H LYS A 31 4.209 -21.812 3.117 1.00 0.00 H new ATOM 0 HA LYS A 31 2.944 -20.778 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.497 -23.352 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.437 -22.999 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.488 -22.954 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.505 -23.134 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.281 -25.352 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.229 -25.173 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.251 -25.053 4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.299 -25.219 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.317 -27.331 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.002 -27.393 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.986 -27.232 5.037 1.00 0.00 H new ATOM 442 N ASN A 32 6.046 -20.419 5.055 1.00 0.00 N ATOM 443 CA ASN A 32 7.306 -19.945 5.617 1.00 0.00 C ATOM 444 C ASN A 32 7.736 -18.637 4.960 1.00 0.00 C ATOM 445 O ASN A 32 8.814 -18.114 5.243 1.00 0.00 O ATOM 446 CB ASN A 32 8.398 -21.002 5.439 1.00 0.00 C ATOM 447 CG ASN A 32 8.144 -22.242 6.274 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.023 -22.907 6.020 1.00 0.00 O flip ATOM 449 ND2 ASN A 32 8.946 -22.597 7.137 1.00 0.00 N flip ATOM 0 H ASN A 32 5.998 -20.383 4.037 1.00 0.00 H new ATOM 0 HA ASN A 32 7.156 -19.764 6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.461 -21.282 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.362 -20.574 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.795 -22.055 7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.762 -23.433 7.691 1.00 0.00 H new ATOM 456 N SER A 33 6.886 -18.114 4.082 1.00 0.00 N ATOM 457 CA SER A 33 7.180 -16.869 3.382 1.00 0.00 C ATOM 458 C SER A 33 5.911 -16.272 2.781 1.00 0.00 C ATOM 459 O SER A 33 4.866 -16.922 2.735 1.00 0.00 O ATOM 460 CB SER A 33 8.215 -17.110 2.282 1.00 0.00 C ATOM 461 OG SER A 33 9.491 -17.388 2.834 1.00 0.00 O ATOM 0 H SER A 33 5.988 -18.533 3.839 1.00 0.00 H new ATOM 0 HA SER A 33 7.587 -16.161 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.897 -17.943 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.277 -16.233 1.638 1.00 0.00 H new ATOM 0 HG SER A 33 9.417 -17.460 3.809 1.00 0.00 H new ATOM 467 N LEU A 34 6.011 -15.030 2.321 1.00 0.00 N ATOM 468 CA LEU A 34 4.872 -14.343 1.721 1.00 0.00 C ATOM 469 C LEU A 34 5.335 -13.321 0.688 1.00 0.00 C ATOM 470 O LEU A 34 6.467 -12.838 0.739 1.00 0.00 O ATOM 471 CB LEU A 34 4.042 -13.650 2.803 1.00 0.00 C ATOM 472 CG LEU A 34 2.986 -14.514 3.495 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.550 -13.877 4.805 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.789 -14.728 2.579 1.00 0.00 C ATOM 0 H LEU A 34 6.868 -14.478 2.352 1.00 0.00 H new ATOM 0 HA LEU A 34 4.254 -15.087 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.722 -13.264 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.543 -12.790 2.355 1.00 0.00 H new ATOM 0 HG LEU A 34 3.427 -15.486 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.799 -14.506 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.412 -13.776 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.127 -12.892 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.048 -15.345 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.347 -13.764 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.114 -15.229 1.667 1.00 0.00 H new ATOM 486 N THR A 35 4.451 -12.993 -0.250 1.00 0.00 N ATOM 487 CA THR A 35 4.768 -12.028 -1.295 1.00 0.00 C ATOM 488 C THR A 35 3.678 -10.970 -1.416 1.00 0.00 C ATOM 489 O THR A 35 2.488 -11.287 -1.410 1.00 0.00 O ATOM 490 CB THR A 35 4.951 -12.718 -2.660 1.00 0.00 C ATOM 491 OG1 THR A 35 5.856 -13.821 -2.535 1.00 0.00 O ATOM 492 CG2 THR A 35 5.480 -11.737 -3.696 1.00 0.00 C ATOM 0 H THR A 35 3.510 -13.382 -0.307 1.00 0.00 H new ATOM 0 HA THR A 35 5.705 -11.550 -1.009 1.00 0.00 H new ATOM 0 HB THR A 35 3.978 -13.082 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.262 -14.011 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.601 -12.247 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.775 -10.914 -3.811 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.443 -11.346 -3.369 1.00 0.00 H new ATOM 500 N LEU A 36 4.091 -9.712 -1.525 1.00 0.00 N ATOM 501 CA LEU A 36 3.148 -8.605 -1.648 1.00 0.00 C ATOM 502 C LEU A 36 3.594 -7.627 -2.729 1.00 0.00 C ATOM 503 O LEU A 36 4.734 -7.162 -2.726 1.00 0.00 O ATOM 504 CB LEU A 36 3.010 -7.876 -0.310 1.00 0.00 C ATOM 505 CG LEU A 36 2.524 -8.722 0.868 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.928 -8.082 2.187 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.015 -8.908 0.804 1.00 0.00 C ATOM 0 H LEU A 36 5.072 -9.433 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 36 2.179 -9.015 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.979 -7.449 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.320 -7.043 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 36 2.994 -9.703 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.574 -8.698 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.014 -8.001 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.486 -7.088 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.687 -9.512 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.526 -7.934 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.749 -9.411 -0.126 1.00 0.00 H new ATOM 519 N GLN A 37 2.688 -7.318 -3.651 1.00 0.00 N ATOM 520 CA GLN A 37 2.989 -6.393 -4.738 1.00 0.00 C ATOM 521 C GLN A 37 2.050 -5.192 -4.706 1.00 0.00 C ATOM 522 O GLN A 37 0.911 -5.294 -4.252 1.00 0.00 O ATOM 523 CB GLN A 37 2.879 -7.105 -6.087 1.00 0.00 C ATOM 524 CG GLN A 37 3.950 -8.162 -6.306 1.00 0.00 C ATOM 525 CD GLN A 37 3.976 -8.679 -7.731 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.293 -9.648 -8.064 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.768 -8.035 -8.581 1.00 0.00 N ATOM 0 H GLN A 37 1.740 -7.694 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 37 4.010 -6.036 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.897 -7.573 -6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.942 -6.365 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.925 -7.743 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.778 -8.995 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.317 -7.237 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.827 -8.339 -9.553 1.00 0.00 H new ATOM 536 N TRP A 38 2.537 -4.054 -5.189 1.00 0.00 N ATOM 537 CA TRP A 38 1.741 -2.833 -5.215 1.00 0.00 C ATOM 538 C TRP A 38 2.229 -1.888 -6.307 1.00 0.00 C ATOM 539 O TRP A 38 3.240 -2.148 -6.961 1.00 0.00 O ATOM 540 CB TRP A 38 1.797 -2.133 -3.856 1.00 0.00 C ATOM 541 CG TRP A 38 3.193 -1.825 -3.404 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.879 -0.660 -3.596 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.073 -2.697 -2.686 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.132 -0.755 -3.041 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.276 -1.994 -2.476 1.00 0.00 C ATOM 546 CE3 TRP A 38 3.962 -4.002 -2.198 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.357 -2.554 -1.800 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.036 -4.557 -1.528 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.220 -3.833 -1.334 1.00 0.00 C ATOM 0 H TRP A 38 3.479 -3.952 -5.568 1.00 0.00 H new ATOM 0 HA TRP A 38 0.709 -3.107 -5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.227 -1.205 -3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.312 -2.763 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.493 0.209 -4.109 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.841 -0.021 -3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.053 -4.567 -2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.271 -1.999 -1.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.961 -5.565 -1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.041 -4.294 -0.806 1.00 0.00 H new ATOM 560 N LYS A 39 1.506 -0.790 -6.501 1.00 0.00 N ATOM 561 CA LYS A 39 1.867 0.195 -7.513 1.00 0.00 C ATOM 562 C LYS A 39 2.190 1.541 -6.872 1.00 0.00 C ATOM 563 O LYS A 39 1.993 1.731 -5.673 1.00 0.00 O ATOM 564 CB LYS A 39 0.728 0.360 -8.523 1.00 0.00 C ATOM 565 CG LYS A 39 -0.542 0.933 -7.918 1.00 0.00 C ATOM 566 CD LYS A 39 -0.552 2.452 -7.978 1.00 0.00 C ATOM 567 CE LYS A 39 -1.044 2.953 -9.327 1.00 0.00 C ATOM 568 NZ LYS A 39 -2.522 2.831 -9.459 1.00 0.00 N ATOM 0 H LYS A 39 0.666 -0.560 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 39 2.756 -0.163 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.061 1.011 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.504 -0.610 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.409 0.541 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.631 0.608 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.192 2.844 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.453 2.831 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.753 3.996 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.560 2.387 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.835 3.319 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.784 1.826 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.981 3.263 -8.632 1.00 0.00 H new ATOM 582 N ALA A 40 2.687 2.472 -7.680 1.00 0.00 N ATOM 583 CA ALA A 40 3.034 3.801 -7.192 1.00 0.00 C ATOM 584 C ALA A 40 1.852 4.757 -7.315 1.00 0.00 C ATOM 585 O ALA A 40 1.186 4.829 -8.348 1.00 0.00 O ATOM 586 CB ALA A 40 4.236 4.345 -7.950 1.00 0.00 C ATOM 0 H ALA A 40 2.858 2.330 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 40 3.292 3.717 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.484 5.338 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.088 3.680 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.999 4.407 -9.012 1.00 0.00 H new ATOM 592 N PRO A 41 1.584 5.509 -6.237 1.00 0.00 N ATOM 593 CA PRO A 41 0.481 6.474 -6.201 1.00 0.00 C ATOM 594 C PRO A 41 0.735 7.680 -7.100 1.00 0.00 C ATOM 595 O PRO A 41 1.677 7.687 -7.892 1.00 0.00 O ATOM 596 CB PRO A 41 0.434 6.903 -4.732 1.00 0.00 C ATOM 597 CG PRO A 41 1.816 6.673 -4.226 1.00 0.00 C ATOM 598 CD PRO A 41 2.336 5.476 -4.972 1.00 0.00 C ATOM 0 HA PRO A 41 -0.451 6.041 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.146 7.950 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.295 6.318 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.446 7.545 -4.401 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.813 6.492 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.411 5.544 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.158 4.552 -4.423 1.00 0.00 H new ATOM 606 N SER A 42 -0.110 8.697 -6.970 1.00 0.00 N ATOM 607 CA SER A 42 0.021 9.907 -7.774 1.00 0.00 C ATOM 608 C SER A 42 1.025 10.869 -7.147 1.00 0.00 C ATOM 609 O SER A 42 0.899 11.242 -5.980 1.00 0.00 O ATOM 610 CB SER A 42 -1.337 10.595 -7.925 1.00 0.00 C ATOM 611 OG SER A 42 -1.588 11.470 -6.839 1.00 0.00 O ATOM 0 H SER A 42 -0.893 8.708 -6.316 1.00 0.00 H new ATOM 0 HA SER A 42 0.386 9.620 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.363 11.154 -8.860 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.125 9.844 -7.981 1.00 0.00 H new ATOM 0 HG SER A 42 -0.900 11.345 -6.153 1.00 0.00 H new ATOM 617 N ASP A 43 2.022 11.267 -7.930 1.00 0.00 N ATOM 618 CA ASP A 43 3.048 12.187 -7.453 1.00 0.00 C ATOM 619 C ASP A 43 2.733 13.619 -7.874 1.00 0.00 C ATOM 620 O ASP A 43 3.127 14.060 -8.953 1.00 0.00 O ATOM 621 CB ASP A 43 4.421 11.776 -7.987 1.00 0.00 C ATOM 622 CG ASP A 43 4.543 11.977 -9.485 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.986 11.155 -10.242 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.195 12.958 -9.900 1.00 0.00 O ATOM 0 H ASP A 43 2.141 10.967 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 43 3.062 12.142 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.193 12.356 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.602 10.728 -7.748 1.00 0.00 H new ATOM 661 N LYS A 47 8.637 14.317 -6.462 1.00 0.00 N ATOM 662 CA LYS A 47 8.816 12.898 -6.743 1.00 0.00 C ATOM 663 C LYS A 47 9.048 12.113 -5.456 1.00 0.00 C ATOM 664 O LYS A 47 9.981 12.397 -4.705 1.00 0.00 O ATOM 665 CB LYS A 47 9.993 12.690 -7.699 1.00 0.00 C ATOM 666 CG LYS A 47 11.305 13.249 -7.178 1.00 0.00 C ATOM 667 CD LYS A 47 12.391 13.204 -8.240 1.00 0.00 C ATOM 668 CE LYS A 47 13.429 14.294 -8.022 1.00 0.00 C ATOM 669 NZ LYS A 47 12.864 15.653 -8.253 1.00 0.00 N ATOM 0 HA LYS A 47 7.904 12.529 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.112 11.623 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.761 13.160 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.158 14.278 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.624 12.678 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.877 12.229 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.942 13.320 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.815 14.229 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.272 14.132 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.633 16.315 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.191 15.619 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.373 15.975 -7.395 1.00 0.00 H new ATOM 683 N ILE A 48 8.195 11.124 -5.209 1.00 0.00 N ATOM 684 CA ILE A 48 8.310 10.298 -4.014 1.00 0.00 C ATOM 685 C ILE A 48 9.734 9.781 -3.839 1.00 0.00 C ATOM 686 O ILE A 48 10.404 9.438 -4.812 1.00 0.00 O ATOM 687 CB ILE A 48 7.343 9.100 -4.063 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.893 9.584 -4.013 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.628 8.142 -2.916 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.894 8.551 -4.485 1.00 0.00 C ATOM 0 H ILE A 48 7.417 10.876 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 48 8.049 10.931 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 48 7.495 8.567 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.650 9.872 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.796 10.479 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.937 7.301 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.652 7.775 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.500 8.663 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.887 8.963 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.111 8.280 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.963 7.664 -3.855 1.00 0.00 H new ATOM 702 N GLN A 49 10.188 9.726 -2.591 1.00 0.00 N ATOM 703 CA GLN A 49 11.532 9.249 -2.287 1.00 0.00 C ATOM 704 C GLN A 49 11.590 7.726 -2.323 1.00 0.00 C ATOM 705 O GLN A 49 12.324 7.142 -3.118 1.00 0.00 O ATOM 706 CB GLN A 49 11.979 9.757 -0.915 1.00 0.00 C ATOM 707 CG GLN A 49 11.849 11.263 -0.752 1.00 0.00 C ATOM 708 CD GLN A 49 12.559 11.779 0.484 1.00 0.00 C ATOM 709 OE1 GLN A 49 13.722 12.179 0.425 1.00 0.00 O ATOM 710 NE2 GLN A 49 11.861 11.773 1.614 1.00 0.00 N ATOM 0 H GLN A 49 9.645 10.006 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 49 12.209 9.638 -3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.387 9.264 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.018 9.471 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.257 11.757 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.793 11.529 -0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.899 11.433 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.287 12.109 2.478 1.00 0.00 H new ATOM 719 N ASN A 50 10.812 7.089 -1.454 1.00 0.00 N ATOM 720 CA ASN A 50 10.775 5.632 -1.386 1.00 0.00 C ATOM 721 C ASN A 50 9.450 5.148 -0.806 1.00 0.00 C ATOM 722 O ASN A 50 8.631 5.946 -0.350 1.00 0.00 O ATOM 723 CB ASN A 50 11.937 5.112 -0.537 1.00 0.00 C ATOM 724 CG ASN A 50 11.706 5.319 0.948 1.00 0.00 C ATOM 725 OD1 ASN A 50 10.877 4.644 1.559 1.00 0.00 O ATOM 726 ND2 ASN A 50 12.441 6.257 1.535 1.00 0.00 N ATOM 0 H ASN A 50 10.199 7.558 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 50 10.871 5.243 -2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.081 4.050 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.855 5.619 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.330 6.442 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.116 6.792 0.989 1.00 0.00 H new ATOM 733 N PHE A 51 9.247 3.835 -0.825 1.00 0.00 N ATOM 734 CA PHE A 51 8.021 3.243 -0.302 1.00 0.00 C ATOM 735 C PHE A 51 8.260 2.621 1.071 1.00 0.00 C ATOM 736 O PHE A 51 9.191 1.838 1.256 1.00 0.00 O ATOM 737 CB PHE A 51 7.488 2.183 -1.268 1.00 0.00 C ATOM 738 CG PHE A 51 6.918 2.758 -2.534 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.639 3.290 -2.553 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.661 2.766 -3.703 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.112 3.819 -3.716 1.00 0.00 C ATOM 742 CE2 PHE A 51 7.139 3.294 -4.869 1.00 0.00 C ATOM 743 CZ PHE A 51 5.864 3.822 -4.875 1.00 0.00 C ATOM 0 H PHE A 51 9.916 3.160 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 51 7.280 4.036 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.295 1.495 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.718 1.599 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.047 3.291 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.660 2.355 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.113 4.230 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.728 3.293 -5.774 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.455 4.237 -5.784 1.00 0.00 H new ATOM 753 N VAL A 52 7.412 2.977 2.031 1.00 0.00 N ATOM 754 CA VAL A 52 7.530 2.455 3.387 1.00 0.00 C ATOM 755 C VAL A 52 6.386 1.500 3.709 1.00 0.00 C ATOM 756 O VAL A 52 5.218 1.890 3.704 1.00 0.00 O ATOM 757 CB VAL A 52 7.544 3.591 4.427 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.845 3.043 5.813 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.555 4.659 4.035 1.00 0.00 C ATOM 0 H VAL A 52 6.636 3.625 1.894 1.00 0.00 H new ATOM 0 HA VAL A 52 8.476 1.915 3.437 1.00 0.00 H new ATOM 0 HB VAL A 52 6.556 4.050 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.851 3.860 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.080 2.318 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.821 2.557 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.552 5.454 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.550 4.216 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.289 5.073 3.062 1.00 0.00 H new ATOM 769 N LEU A 53 6.730 0.248 3.990 1.00 0.00 N ATOM 770 CA LEU A 53 5.731 -0.764 4.316 1.00 0.00 C ATOM 771 C LEU A 53 5.825 -1.169 5.784 1.00 0.00 C ATOM 772 O LEU A 53 6.914 -1.217 6.355 1.00 0.00 O ATOM 773 CB LEU A 53 5.912 -1.993 3.424 1.00 0.00 C ATOM 774 CG LEU A 53 5.135 -3.243 3.837 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.710 -3.185 3.308 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.838 -4.498 3.341 1.00 0.00 C ATOM 0 H LEU A 53 7.692 -0.091 3.999 1.00 0.00 H new ATOM 0 HA LEU A 53 4.744 -0.336 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.619 -1.726 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.973 -2.242 3.394 1.00 0.00 H new ATOM 0 HG LEU A 53 5.096 -3.279 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.172 -4.083 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.207 -2.307 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.728 -3.124 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.270 -5.377 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.909 -4.470 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.839 -4.547 3.769 1.00 0.00 H new ATOM 788 N GLU A 54 4.677 -1.461 6.387 1.00 0.00 N ATOM 789 CA GLU A 54 4.632 -1.864 7.788 1.00 0.00 C ATOM 790 C GLU A 54 3.735 -3.084 7.974 1.00 0.00 C ATOM 791 O GLU A 54 2.810 -3.313 7.195 1.00 0.00 O ATOM 792 CB GLU A 54 4.127 -0.710 8.657 1.00 0.00 C ATOM 793 CG GLU A 54 5.211 0.287 9.033 1.00 0.00 C ATOM 794 CD GLU A 54 4.705 1.378 9.957 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.883 1.068 10.845 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.130 2.540 9.792 1.00 0.00 O ATOM 0 H GLU A 54 3.767 -1.426 5.928 1.00 0.00 H new ATOM 0 HA GLU A 54 5.644 -2.127 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.332 -0.187 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.687 -1.117 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.033 -0.241 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.612 0.741 8.127 1.00 0.00 H new ATOM 803 N TRP A 55 4.017 -3.865 9.011 1.00 0.00 N ATOM 804 CA TRP A 55 3.236 -5.063 9.300 1.00 0.00 C ATOM 805 C TRP A 55 3.300 -5.409 10.784 1.00 0.00 C ATOM 806 O TRP A 55 4.272 -5.083 11.466 1.00 0.00 O ATOM 807 CB TRP A 55 3.745 -6.240 8.467 1.00 0.00 C ATOM 808 CG TRP A 55 5.019 -6.832 8.990 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.105 -6.152 9.463 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.340 -8.224 9.091 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.081 -7.037 9.852 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.636 -8.314 9.635 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.657 -9.402 8.778 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.261 -9.536 9.869 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.279 -10.614 9.010 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.570 -10.674 9.552 1.00 0.00 C ATOM 0 H TRP A 55 4.780 -3.691 9.665 1.00 0.00 H new ATOM 0 HA TRP A 55 2.197 -4.863 9.037 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.978 -7.014 8.439 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.902 -5.908 7.441 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.185 -5.077 9.522 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.990 -6.784 10.240 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.661 -9.366 8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.256 -9.584 10.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.761 -11.531 8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.028 -11.637 9.723 1.00 0.00 H new ATOM 827 N ASP A 56 2.258 -6.069 11.278 1.00 0.00 N ATOM 828 CA ASP A 56 2.196 -6.461 12.681 1.00 0.00 C ATOM 829 C ASP A 56 2.929 -7.779 12.911 1.00 0.00 C ATOM 830 O ASP A 56 2.539 -8.576 13.763 1.00 0.00 O ATOM 831 CB ASP A 56 0.741 -6.586 13.134 1.00 0.00 C ATOM 832 CG ASP A 56 0.564 -6.275 14.607 1.00 0.00 C ATOM 833 OD1 ASP A 56 1.563 -6.348 15.354 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.573 -5.958 15.014 1.00 0.00 O ATOM 0 H ASP A 56 1.445 -6.344 10.727 1.00 0.00 H new ATOM 0 HA ASP A 56 2.686 -5.686 13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.121 -5.909 12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.387 -7.597 12.934 1.00 0.00 H new ATOM 839 N GLU A 57 3.992 -8.001 12.143 1.00 0.00 N ATOM 840 CA GLU A 57 4.777 -9.223 12.262 1.00 0.00 C ATOM 841 C GLU A 57 3.880 -10.419 12.568 1.00 0.00 C ATOM 842 O GLU A 57 4.250 -11.307 13.335 1.00 0.00 O ATOM 843 CB GLU A 57 5.834 -9.072 13.358 1.00 0.00 C ATOM 844 CG GLU A 57 6.964 -8.126 12.988 1.00 0.00 C ATOM 845 CD GLU A 57 7.934 -7.899 14.132 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.784 -8.782 14.373 1.00 0.00 O ATOM 847 OE2 GLU A 57 7.842 -6.839 14.785 1.00 0.00 O ATOM 0 H GLU A 57 4.328 -7.351 11.433 1.00 0.00 H new ATOM 0 HA GLU A 57 5.275 -9.398 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.353 -8.712 14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.252 -10.053 13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.505 -8.530 12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.545 -7.169 12.677 1.00 0.00 H new ATOM 854 N GLY A 58 2.696 -10.434 11.962 1.00 0.00 N ATOM 855 CA GLY A 58 1.763 -11.523 12.181 1.00 0.00 C ATOM 856 C GLY A 58 1.762 -12.004 13.619 1.00 0.00 C ATOM 857 O GLY A 58 1.821 -13.206 13.880 1.00 0.00 O ATOM 0 H GLY A 58 2.367 -9.710 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.759 -11.198 11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.018 -12.354 11.523 1.00 0.00 H new ATOM 861 N LYS A 59 1.696 -11.064 14.555 1.00 0.00 N ATOM 862 CA LYS A 59 1.688 -11.397 15.975 1.00 0.00 C ATOM 863 C LYS A 59 0.270 -11.354 16.535 1.00 0.00 C ATOM 864 O LYS A 59 -0.191 -12.309 17.159 1.00 0.00 O ATOM 865 CB LYS A 59 2.584 -10.430 16.752 1.00 0.00 C ATOM 866 CG LYS A 59 4.068 -10.660 16.524 1.00 0.00 C ATOM 867 CD LYS A 59 4.909 -9.968 17.584 1.00 0.00 C ATOM 868 CE LYS A 59 6.391 -10.034 17.250 1.00 0.00 C ATOM 869 NZ LYS A 59 7.241 -9.833 18.457 1.00 0.00 N ATOM 0 H LYS A 59 1.647 -10.065 14.356 1.00 0.00 H new ATOM 0 HA LYS A 59 2.074 -12.410 16.087 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.335 -9.408 16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.369 -10.525 17.816 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.277 -11.730 16.534 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.347 -10.290 15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.601 -8.926 17.672 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.732 -10.435 18.553 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.620 -11.001 16.802 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.630 -9.273 16.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.244 -9.885 18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.042 -8.900 18.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.031 -10.574 19.156 1.00 0.00 H new ATOM 883 N GLY A 60 -0.419 -10.239 16.308 1.00 0.00 N ATOM 884 CA GLY A 60 -1.778 -10.094 16.795 1.00 0.00 C ATOM 885 C GLY A 60 -1.851 -9.283 18.074 1.00 0.00 C ATOM 886 O GLY A 60 -2.502 -9.687 19.037 1.00 0.00 O ATOM 0 H GLY A 60 -0.060 -9.434 15.795 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.386 -9.614 16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.206 -11.081 16.969 1.00 0.00 H new ATOM 890 N ASN A 61 -1.180 -8.136 18.085 1.00 0.00 N ATOM 891 CA ASN A 61 -1.170 -7.267 19.257 1.00 0.00 C ATOM 892 C ASN A 61 -1.612 -5.854 18.889 1.00 0.00 C ATOM 893 O ASN A 61 -2.354 -5.211 19.631 1.00 0.00 O ATOM 894 CB ASN A 61 0.227 -7.232 19.879 1.00 0.00 C ATOM 895 CG ASN A 61 1.318 -7.047 18.842 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.039 -6.789 17.671 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.568 -7.179 19.269 1.00 0.00 N ATOM 0 H ASN A 61 -0.636 -7.786 17.296 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.874 -7.670 19.985 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.278 -6.420 20.605 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.402 -8.159 20.425 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.344 -7.066 18.617 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.752 -7.393 20.249 1.00 0.00 H new ATOM 904 N GLY A 62 -1.149 -5.375 17.738 1.00 0.00 N ATOM 905 CA GLY A 62 -1.507 -4.041 17.292 1.00 0.00 C ATOM 906 C GLY A 62 -0.313 -3.109 17.236 1.00 0.00 C ATOM 907 O GLY A 62 -0.434 -1.918 17.519 1.00 0.00 O ATOM 0 H GLY A 62 -0.533 -5.887 17.107 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.963 -4.102 16.304 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.257 -3.625 17.965 1.00 0.00 H new ATOM 911 N GLU A 63 0.844 -3.653 16.870 1.00 0.00 N ATOM 912 CA GLU A 63 2.065 -2.861 16.780 1.00 0.00 C ATOM 913 C GLU A 63 2.679 -2.964 15.387 1.00 0.00 C ATOM 914 O GLU A 63 3.250 -3.992 15.022 1.00 0.00 O ATOM 915 CB GLU A 63 3.077 -3.323 17.830 1.00 0.00 C ATOM 916 CG GLU A 63 2.690 -2.953 19.252 1.00 0.00 C ATOM 917 CD GLU A 63 1.210 -3.145 19.523 1.00 0.00 C ATOM 918 OE1 GLU A 63 0.737 -4.298 19.438 1.00 0.00 O ATOM 919 OE2 GLU A 63 0.525 -2.144 19.818 1.00 0.00 O ATOM 0 H GLU A 63 0.961 -4.638 16.631 1.00 0.00 H new ATOM 0 HA GLU A 63 1.806 -1.819 16.968 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.189 -4.405 17.763 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.050 -2.887 17.602 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.265 -3.560 19.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.958 -1.913 19.438 1.00 0.00 H new ATOM 926 N PHE A 64 2.557 -1.891 14.612 1.00 0.00 N ATOM 927 CA PHE A 64 3.098 -1.860 13.258 1.00 0.00 C ATOM 928 C PHE A 64 4.506 -1.273 13.248 1.00 0.00 C ATOM 929 O PHE A 64 4.747 -0.200 13.803 1.00 0.00 O ATOM 930 CB PHE A 64 2.186 -1.043 12.340 1.00 0.00 C ATOM 931 CG PHE A 64 0.897 -1.736 12.003 1.00 0.00 C ATOM 932 CD1 PHE A 64 0.009 -2.100 13.002 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.574 -2.025 10.687 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.177 -2.739 12.694 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.611 -2.663 10.373 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.488 -3.020 11.378 1.00 0.00 C ATOM 0 H PHE A 64 2.088 -1.032 14.899 1.00 0.00 H new ATOM 0 HA PHE A 64 3.148 -2.885 12.890 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.962 -0.090 12.819 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.720 -0.818 11.417 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.246 -1.882 14.033 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.257 -1.748 9.897 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.860 -3.019 13.482 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.851 -2.882 9.343 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.415 -3.518 11.136 1.00 0.00 H new ATOM 946 N CYS A 65 5.432 -1.985 12.616 1.00 0.00 N ATOM 947 CA CYS A 65 6.818 -1.536 12.535 1.00 0.00 C ATOM 948 C CYS A 65 7.348 -1.662 11.110 1.00 0.00 C ATOM 949 O CYS A 65 6.936 -2.548 10.361 1.00 0.00 O ATOM 950 CB CYS A 65 7.695 -2.346 13.491 1.00 0.00 C ATOM 951 SG CYS A 65 7.661 -1.758 15.200 1.00 0.00 S ATOM 0 H CYS A 65 5.249 -2.875 12.152 1.00 0.00 H new ATOM 0 HA CYS A 65 6.851 -0.486 12.824 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.372 -3.387 13.470 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.723 -2.324 13.131 1.00 0.00 H new ATOM 0 HG CYS A 65 8.431 -2.507 15.932 1.00 0.00 H new ATOM 957 N GLN A 66 8.261 -0.769 10.743 1.00 0.00 N ATOM 958 CA GLN A 66 8.844 -0.779 9.407 1.00 0.00 C ATOM 959 C GLN A 66 9.264 -2.190 9.007 1.00 0.00 C ATOM 960 O GLN A 66 10.021 -2.848 9.721 1.00 0.00 O ATOM 961 CB GLN A 66 10.050 0.161 9.346 1.00 0.00 C ATOM 962 CG GLN A 66 10.558 0.409 7.935 1.00 0.00 C ATOM 963 CD GLN A 66 11.490 1.602 7.852 1.00 0.00 C ATOM 964 OE1 GLN A 66 11.066 2.747 8.012 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.767 1.340 7.601 1.00 0.00 N ATOM 0 H GLN A 66 8.613 -0.030 11.352 1.00 0.00 H new ATOM 0 HA GLN A 66 8.086 -0.432 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.780 1.115 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.858 -0.259 9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.079 -0.480 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.709 0.569 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.075 0.376 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.441 2.103 7.534 1.00 0.00 H new ATOM 974 N CYS A 67 8.768 -2.647 7.862 1.00 0.00 N ATOM 975 CA CYS A 67 9.091 -3.981 7.368 1.00 0.00 C ATOM 976 C CYS A 67 9.974 -3.901 6.127 1.00 0.00 C ATOM 977 O CYS A 67 10.979 -4.604 6.021 1.00 0.00 O ATOM 978 CB CYS A 67 7.810 -4.753 7.049 1.00 0.00 C ATOM 979 SG CYS A 67 7.989 -6.550 7.142 1.00 0.00 S ATOM 0 H CYS A 67 8.141 -2.114 7.259 1.00 0.00 H new ATOM 0 HA CYS A 67 9.639 -4.509 8.149 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.028 -4.440 7.741 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.476 -4.483 6.047 1.00 0.00 H new ATOM 0 HG CYS A 67 7.312 -7.002 8.155 1.00 0.00 H new ATOM 985 N TYR A 68 9.591 -3.042 5.189 1.00 0.00 N ATOM 986 CA TYR A 68 10.345 -2.874 3.952 1.00 0.00 C ATOM 987 C TYR A 68 10.378 -1.409 3.529 1.00 0.00 C ATOM 988 O TYR A 68 9.344 -0.742 3.480 1.00 0.00 O ATOM 989 CB TYR A 68 9.733 -3.725 2.837 1.00 0.00 C ATOM 990 CG TYR A 68 10.535 -3.710 1.556 1.00 0.00 C ATOM 991 CD1 TYR A 68 11.567 -4.617 1.349 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.262 -2.789 0.552 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.303 -4.608 0.180 1.00 0.00 C ATOM 994 CE2 TYR A 68 10.991 -2.773 -0.621 1.00 0.00 C ATOM 995 CZ TYR A 68 12.011 -3.684 -0.802 1.00 0.00 C ATOM 996 OH TYR A 68 12.741 -3.671 -1.968 1.00 0.00 O ATOM 0 H TYR A 68 8.763 -2.451 5.262 1.00 0.00 H new ATOM 0 HA TYR A 68 11.368 -3.204 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.640 -4.754 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.725 -3.366 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.798 -5.342 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.466 -2.073 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.102 -5.320 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.764 -2.052 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 68 12.672 -4.545 -2.407 1.00 0.00 H new ATOM 1006 N MET A 69 11.573 -0.914 3.224 1.00 0.00 N ATOM 1007 CA MET A 69 11.742 0.472 2.804 1.00 0.00 C ATOM 1008 C MET A 69 12.698 0.567 1.619 1.00 0.00 C ATOM 1009 O MET A 69 13.844 0.127 1.697 1.00 0.00 O ATOM 1010 CB MET A 69 12.264 1.320 3.965 1.00 0.00 C ATOM 1011 CG MET A 69 12.271 2.811 3.673 1.00 0.00 C ATOM 1012 SD MET A 69 12.572 3.806 5.146 1.00 0.00 S ATOM 1013 CE MET A 69 12.020 5.416 4.587 1.00 0.00 C ATOM 0 H MET A 69 12.439 -1.452 3.260 1.00 0.00 H new ATOM 0 HA MET A 69 10.769 0.853 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.649 1.133 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.277 1.001 4.210 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.038 3.028 2.930 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.314 3.096 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.525 5.936 5.407 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.878 5.999 4.253 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.320 5.294 3.760 1.00 0.00 H new ATOM 1023 N GLY A 70 12.218 1.146 0.522 1.00 0.00 N ATOM 1024 CA GLY A 70 13.044 1.289 -0.663 1.00 0.00 C ATOM 1025 C GLY A 70 12.234 1.643 -1.894 1.00 0.00 C ATOM 1026 O GLY A 70 11.007 1.721 -1.838 1.00 0.00 O ATOM 0 H GLY A 70 11.273 1.518 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.792 2.062 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.583 0.358 -0.841 1.00 0.00 H new ATOM 1030 N SER A 71 12.922 1.860 -3.011 1.00 0.00 N ATOM 1031 CA SER A 71 12.259 2.214 -4.261 1.00 0.00 C ATOM 1032 C SER A 71 11.350 1.083 -4.732 1.00 0.00 C ATOM 1033 O SER A 71 10.176 1.301 -5.032 1.00 0.00 O ATOM 1034 CB SER A 71 13.296 2.534 -5.340 1.00 0.00 C ATOM 1035 OG SER A 71 12.680 3.086 -6.490 1.00 0.00 O ATOM 0 H SER A 71 13.938 1.797 -3.076 1.00 0.00 H new ATOM 0 HA SER A 71 11.647 3.098 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.032 3.235 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.835 1.626 -5.612 1.00 0.00 H new ATOM 0 HG SER A 71 13.363 3.284 -7.164 1.00 0.00 H new ATOM 1041 N GLN A 72 11.901 -0.124 -4.796 1.00 0.00 N ATOM 1042 CA GLN A 72 11.141 -1.289 -5.232 1.00 0.00 C ATOM 1043 C GLN A 72 9.713 -1.237 -4.699 1.00 0.00 C ATOM 1044 O GLN A 72 9.435 -0.574 -3.699 1.00 0.00 O ATOM 1045 CB GLN A 72 11.825 -2.575 -4.766 1.00 0.00 C ATOM 1046 CG GLN A 72 12.977 -3.009 -5.658 1.00 0.00 C ATOM 1047 CD GLN A 72 13.977 -3.890 -4.934 1.00 0.00 C ATOM 1048 OE1 GLN A 72 13.610 -4.897 -4.328 1.00 0.00 O ATOM 1049 NE2 GLN A 72 15.249 -3.514 -4.994 1.00 0.00 N ATOM 0 H GLN A 72 12.871 -0.321 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 72 11.104 -1.280 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.196 -2.432 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.086 -3.375 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.582 -3.547 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.488 -2.125 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.508 -2.672 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.967 -4.067 -4.526 1.00 0.00 H new ATOM 1058 N LYS A 73 8.809 -1.942 -5.372 1.00 0.00 N ATOM 1059 CA LYS A 73 7.409 -1.978 -4.967 1.00 0.00 C ATOM 1060 C LYS A 73 6.970 -3.405 -4.654 1.00 0.00 C ATOM 1061 O LYS A 73 5.777 -3.685 -4.544 1.00 0.00 O ATOM 1062 CB LYS A 73 6.523 -1.389 -6.067 1.00 0.00 C ATOM 1063 CG LYS A 73 6.799 0.077 -6.350 1.00 0.00 C ATOM 1064 CD LYS A 73 6.111 0.538 -7.624 1.00 0.00 C ATOM 1065 CE LYS A 73 6.977 0.285 -8.849 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.160 0.129 -10.084 1.00 0.00 N ATOM 0 H LYS A 73 9.022 -2.497 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 73 7.302 -1.378 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.668 -1.961 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.478 -1.505 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.455 0.682 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.874 0.235 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.161 0.016 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.884 1.602 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.675 1.112 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.574 -0.614 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.787 -0.042 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.512 -0.676 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.610 0.996 -10.248 1.00 0.00 H new ATOM 1080 N GLN A 74 7.941 -4.300 -4.512 1.00 0.00 N ATOM 1081 CA GLN A 74 7.653 -5.698 -4.212 1.00 0.00 C ATOM 1082 C GLN A 74 8.601 -6.232 -3.143 1.00 0.00 C ATOM 1083 O GLN A 74 9.819 -6.086 -3.250 1.00 0.00 O ATOM 1084 CB GLN A 74 7.764 -6.547 -5.479 1.00 0.00 C ATOM 1085 CG GLN A 74 7.810 -8.042 -5.207 1.00 0.00 C ATOM 1086 CD GLN A 74 8.252 -8.842 -6.417 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.430 -8.848 -6.774 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.307 -9.523 -7.054 1.00 0.00 N ATOM 0 H GLN A 74 8.934 -4.083 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 74 6.634 -5.759 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.915 -6.330 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.663 -6.257 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.492 -8.236 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.823 -8.381 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.343 -9.489 -6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.545 -10.080 -7.875 1.00 0.00 H new ATOM 1097 N PHE A 75 8.034 -6.849 -2.112 1.00 0.00 N ATOM 1098 CA PHE A 75 8.829 -7.404 -1.022 1.00 0.00 C ATOM 1099 C PHE A 75 8.260 -8.743 -0.561 1.00 0.00 C ATOM 1100 O PHE A 75 7.056 -8.877 -0.342 1.00 0.00 O ATOM 1101 CB PHE A 75 8.875 -6.425 0.153 1.00 0.00 C ATOM 1102 CG PHE A 75 9.484 -7.008 1.396 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.769 -7.525 1.377 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.771 -7.040 2.584 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.331 -8.063 2.519 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.328 -7.577 3.729 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.610 -8.088 3.697 1.00 0.00 C ATOM 0 H PHE A 75 7.027 -6.978 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 75 9.842 -7.567 -1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.444 -5.543 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.862 -6.091 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.338 -7.507 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.768 -6.640 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.333 -8.464 2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.761 -7.597 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.048 -8.506 4.591 1.00 0.00 H new ATOM 1117 N LYS A 76 9.136 -9.732 -0.416 1.00 0.00 N ATOM 1118 CA LYS A 76 8.724 -11.061 0.020 1.00 0.00 C ATOM 1119 C LYS A 76 9.263 -11.369 1.413 1.00 0.00 C ATOM 1120 O LYS A 76 10.474 -11.484 1.608 1.00 0.00 O ATOM 1121 CB LYS A 76 9.211 -12.119 -0.973 1.00 0.00 C ATOM 1122 CG LYS A 76 9.155 -13.536 -0.428 1.00 0.00 C ATOM 1123 CD LYS A 76 9.905 -14.508 -1.323 1.00 0.00 C ATOM 1124 CE LYS A 76 10.112 -15.850 -0.638 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.910 -16.784 -1.479 1.00 0.00 N ATOM 0 H LYS A 76 10.136 -9.638 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 76 7.635 -11.082 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.605 -12.062 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.237 -11.890 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.583 -13.558 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.115 -13.851 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.350 -14.653 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.872 -14.083 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.618 -15.697 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.143 -16.298 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.029 -17.687 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.415 -16.950 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.844 -16.368 -1.669 1.00 0.00 H new ATOM 1139 N ILE A 77 8.359 -11.501 2.377 1.00 0.00 N ATOM 1140 CA ILE A 77 8.745 -11.798 3.751 1.00 0.00 C ATOM 1141 C ILE A 77 8.989 -13.291 3.943 1.00 0.00 C ATOM 1142 O ILE A 77 8.167 -14.121 3.552 1.00 0.00 O ATOM 1143 CB ILE A 77 7.671 -11.332 4.751 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.563 -9.806 4.742 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.993 -11.837 6.149 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.177 -9.296 5.072 1.00 0.00 C ATOM 0 H ILE A 77 7.354 -11.407 2.232 1.00 0.00 H new ATOM 0 HA ILE A 77 9.669 -11.253 3.944 1.00 0.00 H new ATOM 0 HB ILE A 77 6.710 -11.748 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.273 -9.395 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.853 -9.435 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.224 -11.499 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.024 -12.927 6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.962 -11.448 6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.175 -8.206 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.465 -9.677 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.891 -9.637 6.067 1.00 0.00 H new ATOM 1158 N THR A 78 10.123 -13.627 4.549 1.00 0.00 N ATOM 1159 CA THR A 78 10.475 -15.020 4.794 1.00 0.00 C ATOM 1160 C THR A 78 10.462 -15.336 6.285 1.00 0.00 C ATOM 1161 O THR A 78 10.209 -14.461 7.114 1.00 0.00 O ATOM 1162 CB THR A 78 11.865 -15.357 4.222 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.826 -14.395 4.671 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.833 -15.377 2.701 1.00 0.00 C ATOM 0 H THR A 78 10.814 -12.953 4.879 1.00 0.00 H new ATOM 0 HA THR A 78 9.725 -15.629 4.289 1.00 0.00 H new ATOM 0 HB THR A 78 12.150 -16.347 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.707 -14.617 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.825 -15.617 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.122 -16.130 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.529 -14.398 2.331 1.00 0.00 H new ATOM 1172 N LYS A 79 10.738 -16.591 6.622 1.00 0.00 N ATOM 1173 CA LYS A 79 10.760 -17.024 8.014 1.00 0.00 C ATOM 1174 C LYS A 79 9.401 -16.809 8.672 1.00 0.00 C ATOM 1175 O LYS A 79 9.312 -16.264 9.773 1.00 0.00 O ATOM 1176 CB LYS A 79 11.839 -16.264 8.788 1.00 0.00 C ATOM 1177 CG LYS A 79 13.249 -16.754 8.506 1.00 0.00 C ATOM 1178 CD LYS A 79 13.680 -17.818 9.502 1.00 0.00 C ATOM 1179 CE LYS A 79 14.224 -17.197 10.779 1.00 0.00 C ATOM 1180 NZ LYS A 79 14.722 -18.230 11.729 1.00 0.00 N ATOM 0 H LYS A 79 10.950 -17.327 5.949 1.00 0.00 H new ATOM 0 HA LYS A 79 10.989 -18.089 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.775 -15.205 8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.639 -16.353 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.299 -17.159 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.942 -15.914 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.832 -18.460 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.443 -18.453 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.033 -16.510 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.442 -16.609 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.085 -17.767 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.944 -18.871 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.486 -18.775 11.280 1.00 0.00 H new ATOM 1194 N LEU A 80 8.344 -17.241 7.992 1.00 0.00 N ATOM 1195 CA LEU A 80 6.989 -17.097 8.512 1.00 0.00 C ATOM 1196 C LEU A 80 6.409 -18.453 8.903 1.00 0.00 C ATOM 1197 O LEU A 80 7.097 -19.472 8.850 1.00 0.00 O ATOM 1198 CB LEU A 80 6.091 -16.427 7.471 1.00 0.00 C ATOM 1199 CG LEU A 80 6.450 -14.986 7.104 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.665 -14.536 5.882 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.190 -14.055 8.279 1.00 0.00 C ATOM 0 H LEU A 80 8.400 -17.694 7.080 1.00 0.00 H new ATOM 0 HA LEU A 80 7.033 -16.470 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.111 -17.028 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.066 -16.442 7.841 1.00 0.00 H new ATOM 0 HG LEU A 80 7.512 -14.947 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.933 -13.509 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.901 -15.185 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.597 -14.591 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.451 -13.034 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.135 -14.098 8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.797 -14.365 9.130 1.00 0.00 H new ATOM 1213 N SER A 81 5.138 -18.457 9.293 1.00 0.00 N ATOM 1214 CA SER A 81 4.466 -19.687 9.693 1.00 0.00 C ATOM 1215 C SER A 81 3.043 -19.732 9.145 1.00 0.00 C ATOM 1216 O SER A 81 2.405 -18.704 8.916 1.00 0.00 O ATOM 1217 CB SER A 81 4.440 -19.806 11.219 1.00 0.00 C ATOM 1218 OG SER A 81 4.071 -18.577 11.820 1.00 0.00 O ATOM 0 H SER A 81 4.554 -17.622 9.340 1.00 0.00 H new ATOM 0 HA SER A 81 5.023 -20.527 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.737 -20.584 11.514 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.422 -20.110 11.580 1.00 0.00 H new ATOM 0 HG SER A 81 3.546 -18.047 11.185 1.00 0.00 H new ATOM 1224 N PRO A 82 2.532 -20.953 8.927 1.00 0.00 N ATOM 1225 CA PRO A 82 1.179 -21.163 8.403 1.00 0.00 C ATOM 1226 C PRO A 82 0.101 -20.784 9.413 1.00 0.00 C ATOM 1227 O PRO A 82 0.316 -20.859 10.622 1.00 0.00 O ATOM 1228 CB PRO A 82 1.139 -22.666 8.117 1.00 0.00 C ATOM 1229 CG PRO A 82 2.150 -23.255 9.039 1.00 0.00 C ATOM 1230 CD PRO A 82 3.235 -22.223 9.177 1.00 0.00 C ATOM 0 HA PRO A 82 0.980 -20.543 7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.147 -23.078 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.382 -22.877 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.707 -23.487 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.547 -24.188 8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.686 -22.244 10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.038 -22.386 8.458 1.00 0.00 H new ATOM 1238 N ALA A 83 -1.060 -20.378 8.908 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.172 -19.990 9.766 1.00 0.00 C ATOM 1240 C ALA A 83 -1.787 -18.824 10.670 1.00 0.00 C ATOM 1241 O ALA A 83 -2.176 -18.776 11.837 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.634 -21.176 10.600 1.00 0.00 C ATOM 0 H ALA A 83 -1.254 -20.310 7.909 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.994 -19.666 9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.465 -20.872 11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.958 -21.981 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.810 -21.526 11.222 1.00 0.00 H new ATOM 1248 N MET A 84 -1.021 -17.886 10.124 1.00 0.00 N ATOM 1249 CA MET A 84 -0.584 -16.719 10.882 1.00 0.00 C ATOM 1250 C MET A 84 -1.078 -15.431 10.231 1.00 0.00 C ATOM 1251 O MET A 84 -0.462 -14.921 9.296 1.00 0.00 O ATOM 1252 CB MET A 84 0.942 -16.697 10.991 1.00 0.00 C ATOM 1253 CG MET A 84 1.479 -15.501 11.760 1.00 0.00 C ATOM 1254 SD MET A 84 3.280 -15.420 11.749 1.00 0.00 S ATOM 1255 CE MET A 84 3.565 -14.407 10.299 1.00 0.00 C ATOM 0 H MET A 84 -0.690 -17.911 9.160 1.00 0.00 H new ATOM 0 HA MET A 84 -1.011 -16.786 11.882 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.276 -17.612 11.479 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.370 -16.696 9.988 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.075 -14.585 11.328 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.128 -15.549 12.791 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.389 -13.720 10.491 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.815 -15.046 9.452 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.664 -13.838 10.070 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.194 -14.910 10.732 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.752 -13.686 10.186 1.00 0.00 C ATOM 1267 C GLY A 85 -1.842 -12.492 10.393 1.00 0.00 C ATOM 1268 O GLY A 85 -1.575 -12.096 11.528 1.00 0.00 O ATOM 0 H GLY A 85 -2.722 -15.313 11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.936 -13.818 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.717 -13.489 10.654 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.363 -11.917 9.295 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.475 -10.762 9.362 1.00 0.00 C ATOM 1274 C CYS A 86 -1.036 -9.598 8.552 1.00 0.00 C ATOM 1275 O CYS A 86 -1.468 -9.770 7.412 1.00 0.00 O ATOM 1276 CB CYS A 86 0.917 -11.132 8.848 1.00 0.00 C ATOM 1277 SG CYS A 86 0.912 -12.364 7.524 1.00 0.00 S ATOM 0 H CYS A 86 -1.575 -12.232 8.348 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.399 -10.453 10.405 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.411 -10.230 8.488 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.511 -11.511 9.680 1.00 0.00 H new ATOM 0 HG CYS A 86 0.879 -11.763 6.372 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.029 -8.411 9.150 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.537 -7.216 8.486 1.00 0.00 C ATOM 1285 C LYS A 87 -0.402 -6.427 7.842 1.00 0.00 C ATOM 1286 O LYS A 87 0.743 -6.489 8.290 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.285 -6.331 9.485 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.586 -6.939 9.982 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.512 -5.880 10.556 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.798 -6.495 11.089 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.600 -7.124 12.424 1.00 0.00 N ATOM 0 H LYS A 87 -0.677 -8.251 10.094 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.226 -7.532 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.637 -6.133 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.498 -5.370 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.085 -7.454 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.371 -7.688 10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.003 -5.346 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.750 -5.147 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.566 -5.725 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.162 -7.244 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.499 -7.531 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.885 -7.876 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.278 -6.405 13.102 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.727 -5.684 6.789 1.00 0.00 N ATOM 1306 CA PHE A 88 0.265 -4.881 6.084 1.00 0.00 C ATOM 1307 C PHE A 88 -0.328 -3.546 5.643 1.00 0.00 C ATOM 1308 O PHE A 88 -1.546 -3.401 5.535 1.00 0.00 O ATOM 1309 CB PHE A 88 0.797 -5.643 4.868 1.00 0.00 C ATOM 1310 CG PHE A 88 1.207 -7.054 5.176 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.264 -8.068 5.229 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.536 -7.367 5.414 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.639 -9.368 5.512 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.916 -8.665 5.698 1.00 0.00 C ATOM 1315 CZ PHE A 88 1.967 -9.667 5.748 1.00 0.00 C ATOM 0 H PHE A 88 -1.670 -5.621 6.405 1.00 0.00 H new ATOM 0 HA PHE A 88 1.089 -4.683 6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.030 -5.657 4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.653 -5.106 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.776 -7.840 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.283 -6.588 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.106 -10.149 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.955 -8.896 5.881 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.262 -10.682 5.971 1.00 0.00 H new ATOM 1325 N ARG A 89 0.542 -2.574 5.390 1.00 0.00 N ATOM 1326 CA ARG A 89 0.105 -1.250 4.962 1.00 0.00 C ATOM 1327 C ARG A 89 1.177 -0.571 4.115 1.00 0.00 C ATOM 1328 O ARG A 89 2.370 -0.679 4.401 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.226 -0.382 6.178 1.00 0.00 C ATOM 1330 CG ARG A 89 0.881 -0.344 7.218 1.00 0.00 C ATOM 1331 CD ARG A 89 0.728 0.847 8.151 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.247 0.592 9.209 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.477 1.430 10.214 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.194 2.571 10.297 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.380 1.128 11.138 1.00 0.00 N ATOM 0 H ARG A 89 1.553 -2.678 5.474 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.792 -1.369 4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.433 0.634 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.138 -0.756 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.868 -1.266 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.849 -0.295 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.694 1.084 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.419 1.720 7.576 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.780 -0.277 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.889 2.807 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.015 3.213 11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.898 0.252 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.556 1.772 11.909 1.00 0.00 H new ATOM 1349 N LEU A 90 0.745 0.128 3.072 1.00 0.00 N ATOM 1350 CA LEU A 90 1.667 0.825 2.182 1.00 0.00 C ATOM 1351 C LEU A 90 1.479 2.336 2.278 1.00 0.00 C ATOM 1352 O LEU A 90 0.359 2.824 2.430 1.00 0.00 O ATOM 1353 CB LEU A 90 1.460 0.365 0.738 1.00 0.00 C ATOM 1354 CG LEU A 90 2.428 0.940 -0.295 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.791 0.277 -0.177 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.871 0.772 -1.701 1.00 0.00 C ATOM 0 H LEU A 90 -0.239 0.227 2.821 1.00 0.00 H new ATOM 0 HA LEU A 90 2.684 0.583 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.534 -0.722 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.444 0.623 0.438 1.00 0.00 H new ATOM 0 HG LEU A 90 2.547 2.005 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.467 0.699 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.195 0.451 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.690 -0.795 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.574 1.187 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.721 -0.287 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.918 1.296 -1.780 1.00 0.00 H new ATOM 1368 N SER A 91 2.583 3.071 2.187 1.00 0.00 N ATOM 1369 CA SER A 91 2.540 4.526 2.265 1.00 0.00 C ATOM 1370 C SER A 91 3.677 5.147 1.459 1.00 0.00 C ATOM 1371 O SER A 91 4.807 4.662 1.483 1.00 0.00 O ATOM 1372 CB SER A 91 2.626 4.983 3.723 1.00 0.00 C ATOM 1373 OG SER A 91 3.838 4.556 4.320 1.00 0.00 O ATOM 0 H SER A 91 3.517 2.683 2.059 1.00 0.00 H new ATOM 0 HA SER A 91 1.592 4.860 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.556 6.070 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.780 4.584 4.283 1.00 0.00 H new ATOM 0 HG SER A 91 3.761 4.616 5.295 1.00 0.00 H new ATOM 1379 N ALA A 92 3.367 6.224 0.744 1.00 0.00 N ATOM 1380 CA ALA A 92 4.362 6.913 -0.069 1.00 0.00 C ATOM 1381 C ALA A 92 4.830 8.197 0.608 1.00 0.00 C ATOM 1382 O ALA A 92 4.017 9.024 1.022 1.00 0.00 O ATOM 1383 CB ALA A 92 3.797 7.218 -1.448 1.00 0.00 C ATOM 0 H ALA A 92 2.435 6.638 0.711 1.00 0.00 H new ATOM 0 HA ALA A 92 5.224 6.255 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.551 7.732 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.518 6.287 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.917 7.854 -1.348 1.00 0.00 H new ATOM 1389 N ARG A 93 6.144 8.357 0.718 1.00 0.00 N ATOM 1390 CA ARG A 93 6.720 9.540 1.347 1.00 0.00 C ATOM 1391 C ARG A 93 7.622 10.290 0.371 1.00 0.00 C ATOM 1392 O ARG A 93 8.534 9.710 -0.217 1.00 0.00 O ATOM 1393 CB ARG A 93 7.515 9.145 2.593 1.00 0.00 C ATOM 1394 CG ARG A 93 8.248 10.309 3.241 1.00 0.00 C ATOM 1395 CD ARG A 93 9.353 9.824 4.167 1.00 0.00 C ATOM 1396 NE ARG A 93 10.152 10.929 4.691 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.203 10.764 5.487 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.579 9.545 5.848 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.879 11.819 5.922 1.00 0.00 N ATOM 0 H ARG A 93 6.830 7.683 0.380 1.00 0.00 H new ATOM 0 HA ARG A 93 5.903 10.200 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.836 8.703 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.238 8.376 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.674 10.948 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.541 10.918 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.914 9.269 4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.000 9.132 3.628 1.00 0.00 H new ATOM 0 HE ARG A 93 9.889 11.880 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.061 8.732 5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.386 9.420 6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.592 12.758 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.686 11.691 6.533 1.00 0.00 H new ATOM 1413 N ASN A 94 7.359 11.582 0.204 1.00 0.00 N ATOM 1414 CA ASN A 94 8.146 12.411 -0.701 1.00 0.00 C ATOM 1415 C ASN A 94 8.889 13.501 0.066 1.00 0.00 C ATOM 1416 O ASN A 94 8.839 13.554 1.295 1.00 0.00 O ATOM 1417 CB ASN A 94 7.243 13.044 -1.762 1.00 0.00 C ATOM 1418 CG ASN A 94 6.114 13.852 -1.152 1.00 0.00 C ATOM 1419 OD1 ASN A 94 5.896 13.819 0.059 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.388 14.582 -1.991 1.00 0.00 N ATOM 0 H ASN A 94 6.607 12.077 0.683 1.00 0.00 H new ATOM 0 HA ASN A 94 8.880 11.772 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.841 13.689 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.825 12.260 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.614 15.145 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.604 14.579 -2.988 1.00 0.00 H new ATOM 1427 N ASP A 95 9.578 14.368 -0.667 1.00 0.00 N ATOM 1428 CA ASP A 95 10.330 15.458 -0.057 1.00 0.00 C ATOM 1429 C ASP A 95 9.524 16.117 1.059 1.00 0.00 C ATOM 1430 O ASP A 95 10.089 16.660 2.009 1.00 0.00 O ATOM 1431 CB ASP A 95 10.709 16.499 -1.112 1.00 0.00 C ATOM 1432 CG ASP A 95 11.844 16.033 -2.003 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.686 14.988 -2.668 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.890 16.714 -2.036 1.00 0.00 O ATOM 0 H ASP A 95 9.631 14.337 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 95 11.240 15.041 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.837 16.723 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.997 17.426 -0.616 1.00 0.00 H new ATOM 1439 N TYR A 96 8.203 16.066 0.936 1.00 0.00 N ATOM 1440 CA TYR A 96 7.319 16.660 1.931 1.00 0.00 C ATOM 1441 C TYR A 96 7.216 15.772 3.168 1.00 0.00 C ATOM 1442 O TYR A 96 7.638 16.155 4.258 1.00 0.00 O ATOM 1443 CB TYR A 96 5.928 16.890 1.337 1.00 0.00 C ATOM 1444 CG TYR A 96 5.896 17.957 0.266 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.569 17.783 -0.936 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.191 19.139 0.458 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.543 18.756 -1.917 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.158 20.117 -0.518 1.00 0.00 C ATOM 1449 CZ TYR A 96 5.836 19.921 -1.703 1.00 0.00 C ATOM 1450 OH TYR A 96 5.806 20.892 -2.678 1.00 0.00 O ATOM 0 H TYR A 96 7.720 15.619 0.156 1.00 0.00 H new ATOM 0 HA TYR A 96 7.742 17.619 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.562 15.953 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.242 17.169 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.122 16.871 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.660 19.296 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.073 18.605 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.604 21.030 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 96 5.264 21.648 -2.370 1.00 0.00 H new ATOM 1460 N GLY A 97 6.650 14.582 2.988 1.00 0.00 N ATOM 1461 CA GLY A 97 6.501 13.657 4.096 1.00 0.00 C ATOM 1462 C GLY A 97 5.749 12.401 3.706 1.00 0.00 C ATOM 1463 O GLY A 97 5.360 12.234 2.549 1.00 0.00 O ATOM 0 H GLY A 97 6.292 14.243 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.487 13.384 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.975 14.153 4.911 1.00 0.00 H new ATOM 1467 N THR A 98 5.543 11.511 4.672 1.00 0.00 N ATOM 1468 CA THR A 98 4.836 10.261 4.422 1.00 0.00 C ATOM 1469 C THR A 98 3.329 10.486 4.358 1.00 0.00 C ATOM 1470 O THR A 98 2.712 10.904 5.337 1.00 0.00 O ATOM 1471 CB THR A 98 5.140 9.216 5.512 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.544 8.935 5.542 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.366 7.931 5.260 1.00 0.00 C ATOM 0 H THR A 98 5.856 11.633 5.635 1.00 0.00 H new ATOM 0 HA THR A 98 5.187 9.886 3.461 1.00 0.00 H new ATOM 0 HB THR A 98 4.831 9.625 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.730 8.271 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.597 7.208 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.297 8.143 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.649 7.520 4.291 1.00 0.00 H new ATOM 1481 N SER A 99 2.743 10.206 3.198 1.00 0.00 N ATOM 1482 CA SER A 99 1.308 10.381 3.005 1.00 0.00 C ATOM 1483 C SER A 99 0.525 9.292 3.732 1.00 0.00 C ATOM 1484 O SER A 99 1.045 8.208 3.994 1.00 0.00 O ATOM 1485 CB SER A 99 0.967 10.360 1.513 1.00 0.00 C ATOM 1486 OG SER A 99 1.472 9.192 0.891 1.00 0.00 O ATOM 0 H SER A 99 3.240 9.857 2.378 1.00 0.00 H new ATOM 0 HA SER A 99 1.025 11.347 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.114 10.406 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.384 11.243 1.029 1.00 0.00 H new ATOM 0 HG SER A 99 2.443 9.273 0.782 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.729 9.590 4.057 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.564 8.628 4.751 1.00 0.00 C ATOM 1494 C GLY A 100 -1.286 7.201 4.321 1.00 0.00 C ATOM 1495 O GLY A 100 -0.963 6.947 3.161 1.00 0.00 O ATOM 0 H GLY A 100 -1.181 10.481 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.401 8.719 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.612 8.862 4.567 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.409 6.268 5.259 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.166 4.859 4.971 1.00 0.00 C ATOM 1501 C PHE A 101 -2.413 4.199 4.391 1.00 0.00 C ATOM 1502 O PHE A 101 -3.533 4.480 4.817 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.731 4.125 6.242 1.00 0.00 C ATOM 1504 CG PHE A 101 0.644 4.505 6.712 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.860 5.707 7.366 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.721 3.660 6.499 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.124 6.059 7.801 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.987 4.006 6.932 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.189 5.208 7.582 1.00 0.00 C ATOM 0 H PHE A 101 -1.675 6.462 6.224 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.367 4.797 4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.448 4.333 7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.760 3.051 6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.031 6.377 7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.570 2.720 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.278 6.998 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.818 3.337 6.762 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.178 5.482 7.918 1.00 0.00 H new ATOM 1519 N SER A 102 -2.210 3.319 3.415 1.00 0.00 N ATOM 1520 CA SER A 102 -3.318 2.621 2.773 1.00 0.00 C ATOM 1521 C SER A 102 -4.189 1.916 3.808 1.00 0.00 C ATOM 1522 O SER A 102 -3.888 1.931 5.001 1.00 0.00 O ATOM 1523 CB SER A 102 -2.789 1.606 1.758 1.00 0.00 C ATOM 1524 OG SER A 102 -2.309 0.440 2.405 1.00 0.00 O ATOM 0 H SER A 102 -1.289 3.073 3.052 1.00 0.00 H new ATOM 0 HA SER A 102 -3.928 3.360 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.582 1.338 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.988 2.057 1.172 1.00 0.00 H new ATOM 0 HG SER A 102 -2.701 -0.353 1.983 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.270 1.299 3.340 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.186 0.588 4.225 1.00 0.00 C ATOM 1532 C GLU A 103 -5.561 -0.711 4.724 1.00 0.00 C ATOM 1533 O GLU A 103 -5.120 -1.543 3.933 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.501 0.290 3.502 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.464 1.466 3.480 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.196 1.644 4.795 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -8.522 1.770 5.839 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.445 1.657 4.781 1.00 0.00 O ATOM 0 H GLU A 103 -5.533 1.277 2.355 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.390 1.227 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.283 -0.009 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.987 -0.558 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.913 2.378 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.191 1.321 2.681 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.528 -0.877 6.043 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.956 -2.074 6.648 1.00 0.00 C ATOM 1547 C GLU A 104 -5.569 -3.334 6.043 1.00 0.00 C ATOM 1548 O GLU A 104 -6.789 -3.495 6.020 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.177 -2.063 8.162 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.610 -0.832 8.850 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.166 -0.637 10.247 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.513 -1.648 10.894 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.256 0.526 10.694 1.00 0.00 O ATOM 0 H GLU A 104 -5.890 -0.198 6.712 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.885 -2.077 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.246 -2.123 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.720 -2.953 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.525 -0.918 8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.831 0.050 8.249 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.712 -4.226 5.555 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.167 -5.472 4.950 1.00 0.00 C ATOM 1562 C VAL A 105 -4.697 -6.677 5.756 1.00 0.00 C ATOM 1563 O VAL A 105 -3.516 -6.796 6.086 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.664 -5.609 3.501 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.296 -4.549 2.613 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.146 -5.520 3.454 1.00 0.00 C ATOM 0 H VAL A 105 -3.699 -4.108 5.567 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.257 -5.443 4.947 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.960 -6.588 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.928 -4.662 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.380 -4.665 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.034 -3.559 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.808 -5.619 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.826 -4.557 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.716 -6.321 4.055 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.628 -7.571 6.071 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.310 -8.769 6.839 1.00 0.00 C ATOM 1578 C LEU A 106 -5.185 -9.984 5.926 1.00 0.00 C ATOM 1579 O LEU A 106 -6.140 -10.366 5.250 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.385 -9.021 7.898 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.189 -10.261 8.772 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.949 -10.112 9.639 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.419 -10.506 9.633 1.00 0.00 C ATOM 0 H LEU A 106 -6.610 -7.488 5.806 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.352 -8.609 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.438 -8.148 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.349 -9.104 7.396 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.049 -11.123 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.826 -11.004 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.073 -9.986 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.058 -9.239 10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.262 -11.392 10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.590 -9.643 10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.287 -10.659 8.992 1.00 0.00 H new ATOM 1595 N TYR A 107 -4.002 -10.589 5.912 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.752 -11.761 5.081 1.00 0.00 C ATOM 1597 C TYR A 107 -3.498 -12.994 5.942 1.00 0.00 C ATOM 1598 O TYR A 107 -3.352 -12.896 7.161 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.557 -11.513 4.160 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.873 -10.612 2.987 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.467 -11.118 1.837 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.577 -9.255 3.029 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.757 -10.299 0.764 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.864 -8.428 1.960 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.454 -8.955 0.830 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.741 -8.135 -0.237 1.00 0.00 O ATOM 0 H TYR A 107 -3.201 -10.287 6.467 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.639 -11.941 4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.748 -11.070 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.193 -12.470 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.706 -12.170 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.115 -8.840 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.219 -10.709 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.628 -7.375 2.009 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.070 -7.423 -0.292 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.444 -14.155 5.299 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.209 -15.410 6.004 1.00 0.00 C ATOM 1618 C TYR A 108 -2.460 -16.400 5.119 1.00 0.00 C ATOM 1619 O TYR A 108 -2.952 -16.807 4.065 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.536 -16.019 6.461 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.959 -15.580 7.845 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.584 -14.356 8.046 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.733 -16.390 8.951 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.971 -13.951 9.308 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.118 -15.993 10.217 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.737 -14.773 10.391 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.121 -14.374 11.650 1.00 0.00 O ATOM 0 H TYR A 108 -3.560 -14.253 4.290 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.595 -15.196 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.315 -15.747 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.453 -17.106 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.770 -13.710 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.248 -17.346 8.819 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.455 -12.995 9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.935 -16.635 11.066 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.884 -15.068 12.300 1.00 0.00 H new ATOM 1637 N THR A 109 -1.264 -16.787 5.554 1.00 0.00 N ATOM 1638 CA THR A 109 -0.445 -17.729 4.802 1.00 0.00 C ATOM 1639 C THR A 109 -1.257 -18.949 4.381 1.00 0.00 C ATOM 1640 O THR A 109 -2.367 -19.165 4.866 1.00 0.00 O ATOM 1641 CB THR A 109 0.772 -18.195 5.623 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.376 -18.475 6.970 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.864 -17.136 5.620 1.00 0.00 C ATOM 0 H THR A 109 -0.842 -16.462 6.424 1.00 0.00 H new ATOM 0 HA THR A 109 -0.095 -17.204 3.913 1.00 0.00 H new ATOM 0 HB THR A 109 1.166 -19.102 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.160 -18.435 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.713 -17.487 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.184 -16.946 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.478 -16.215 6.056 1.00 0.00 H new ATOM 1651 N SER A 110 -0.695 -19.744 3.477 1.00 0.00 N ATOM 1652 CA SER A 110 -1.368 -20.942 2.988 1.00 0.00 C ATOM 1653 C SER A 110 -2.185 -21.597 4.098 1.00 0.00 C ATOM 1654 O SER A 110 -3.331 -21.994 3.889 1.00 0.00 O ATOM 1655 CB SER A 110 -0.347 -21.938 2.436 1.00 0.00 C ATOM 1656 OG SER A 110 -0.115 -21.718 1.055 1.00 0.00 O ATOM 0 H SER A 110 0.225 -19.581 3.068 1.00 0.00 H new ATOM 0 HA SER A 110 -2.046 -20.646 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.590 -21.845 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.707 -22.955 2.590 1.00 0.00 H new ATOM 0 HG SER A 110 0.469 -20.939 0.941 1.00 0.00 H new