USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 17 TYR OH : rot -15:sc= 1.08 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -169:sc= 1.09 (180deg=-0.395) USER MOD Set 2.1: A 76 ASN : amide:sc= -7.67! C(o=-11!,f=-7.2!) USER MOD Set 2.2: A 77 ASN : amide:sc= -3.47 K(o=-11,f=-14!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -87:sc= -5.62! USER MOD Single : A 15 ASN : amide:sc= -1.57 K(o=-1.6,f=-8.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 29 GLN : amide:sc= -2.77! C(o=-2.8!,f=-9.8!) USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.355 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 162:sc= -2.23! USER MOD Single : A 39 SER OG : rot -54:sc= 0.271 USER MOD Single : A 42 GLN : amide:sc= -0.197 K(o=-0.2,f=-4.1!) USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= -0.54 (180deg=-2.43!) USER MOD Single : A 44 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.4!) USER MOD Single : A 62 TYR OH : rot 10:sc= -2.24! USER MOD Single : A 63 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 SER OG : rot -6:sc= 0.696! USER MOD Single : A 84 SER OG : rot 140:sc= -5.88! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -7.940 0.219 -10.902 1.00 0.00 N ATOM 160 CA LYS A 12 -9.080 -0.584 -11.443 1.00 0.00 C ATOM 161 C LYS A 12 -10.159 -0.812 -10.379 1.00 0.00 C ATOM 162 O LYS A 12 -11.338 -0.732 -10.658 1.00 0.00 O ATOM 163 CB LYS A 12 -8.548 -1.939 -11.917 1.00 0.00 C ATOM 164 CG LYS A 12 -9.356 -2.413 -13.126 1.00 0.00 C ATOM 165 CD LYS A 12 -8.406 -2.976 -14.185 1.00 0.00 C ATOM 166 CE LYS A 12 -8.136 -4.455 -13.899 1.00 0.00 C ATOM 167 NZ LYS A 12 -8.970 -5.296 -14.804 1.00 0.00 N ATOM 0 HA LYS A 12 -9.529 -0.034 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.494 -1.855 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.617 -2.670 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.072 -3.176 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.930 -1.584 -13.541 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.842 -2.861 -15.177 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.470 -2.418 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.080 -4.678 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.366 -4.683 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.787 -6.301 -14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.976 -5.089 -14.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.730 -5.085 -15.794 1.00 0.00 H new ATOM 181 N ASP A 13 -9.775 -1.101 -9.167 1.00 0.00 N ATOM 182 CA ASP A 13 -10.803 -1.337 -8.115 1.00 0.00 C ATOM 183 C ASP A 13 -10.500 -0.534 -6.836 1.00 0.00 C ATOM 184 O ASP A 13 -11.237 0.360 -6.474 1.00 0.00 O ATOM 185 CB ASP A 13 -10.853 -2.825 -7.778 1.00 0.00 C ATOM 186 CG ASP A 13 -12.280 -3.352 -7.962 1.00 0.00 C ATOM 187 OD1 ASP A 13 -13.157 -2.551 -8.234 1.00 0.00 O ATOM 188 OD2 ASP A 13 -12.469 -4.549 -7.825 1.00 0.00 O ATOM 0 H ASP A 13 -8.805 -1.183 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.766 -1.005 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.167 -3.376 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.526 -2.986 -6.751 1.00 0.00 H new ATOM 193 N THR A 14 -9.440 -0.855 -6.135 1.00 0.00 N ATOM 194 CA THR A 14 -9.123 -0.124 -4.877 1.00 0.00 C ATOM 195 C THR A 14 -7.653 -0.345 -4.499 1.00 0.00 C ATOM 196 O THR A 14 -7.281 -1.378 -3.978 1.00 0.00 O ATOM 197 CB THR A 14 -10.020 -0.645 -3.755 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.612 -1.872 -4.159 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.116 0.379 -3.453 1.00 0.00 C ATOM 0 H THR A 14 -8.782 -1.594 -6.383 1.00 0.00 H new ATOM 0 HA THR A 14 -9.296 0.942 -5.025 1.00 0.00 H new ATOM 0 HB THR A 14 -9.423 -0.805 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.440 -1.690 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.754 0.004 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.660 1.319 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.716 0.544 -4.348 1.00 0.00 H new ATOM 207 N ASN A 15 -6.823 0.628 -4.749 1.00 0.00 N ATOM 208 CA ASN A 15 -5.372 0.504 -4.403 1.00 0.00 C ATOM 209 C ASN A 15 -5.114 1.209 -3.074 1.00 0.00 C ATOM 210 O ASN A 15 -6.027 1.484 -2.326 1.00 0.00 O ATOM 211 CB ASN A 15 -4.522 1.151 -5.498 1.00 0.00 C ATOM 212 CG ASN A 15 -4.911 2.621 -5.653 1.00 0.00 C ATOM 213 OD1 ASN A 15 -5.694 3.139 -4.882 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.392 3.320 -6.624 1.00 0.00 N ATOM 0 H ASN A 15 -7.086 1.513 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.106 -0.550 -4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.465 1.070 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.667 0.625 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.643 4.302 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.735 2.885 -7.271 1.00 0.00 H new ATOM 221 N LEU A 16 -3.881 1.493 -2.754 1.00 0.00 N ATOM 222 CA LEU A 16 -3.620 2.172 -1.454 1.00 0.00 C ATOM 223 C LEU A 16 -2.254 2.858 -1.426 1.00 0.00 C ATOM 224 O LEU A 16 -1.214 2.233 -1.519 1.00 0.00 O ATOM 225 CB LEU A 16 -3.723 1.176 -0.287 1.00 0.00 C ATOM 226 CG LEU A 16 -2.749 -0.007 -0.445 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.996 -1.012 0.678 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.003 -0.724 -1.766 1.00 0.00 C ATOM 0 H LEU A 16 -3.059 1.290 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.385 2.941 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.515 1.693 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.743 0.798 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.729 0.376 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.310 -1.852 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.832 -0.529 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.023 -1.373 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.309 -1.558 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.026 -1.099 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.856 -0.028 -2.592 1.00 0.00 H new ATOM 240 N TYR A 17 -2.268 4.156 -1.243 1.00 0.00 N ATOM 241 CA TYR A 17 -1.000 4.927 -1.145 1.00 0.00 C ATOM 242 C TYR A 17 -0.473 4.729 0.270 1.00 0.00 C ATOM 243 O TYR A 17 -1.210 4.847 1.228 1.00 0.00 O ATOM 244 CB TYR A 17 -1.289 6.414 -1.375 1.00 0.00 C ATOM 245 CG TYR A 17 -0.640 6.887 -2.655 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.754 6.952 -2.753 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.437 7.273 -3.740 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.352 7.402 -3.936 1.00 0.00 C ATOM 249 CE2 TYR A 17 -0.839 7.725 -4.922 1.00 0.00 C ATOM 250 CZ TYR A 17 0.556 7.789 -5.020 1.00 0.00 C ATOM 251 OH TYR A 17 1.147 8.236 -6.183 1.00 0.00 O ATOM 0 H TYR A 17 -3.116 4.716 -1.157 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.276 4.592 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.365 6.578 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.915 6.998 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.369 6.655 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.513 7.222 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.428 7.451 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.454 8.024 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 17 2.088 8.449 -6.011 1.00 0.00 H new ATOM 261 N VAL A 18 0.773 4.400 0.433 1.00 0.00 N ATOM 262 CA VAL A 18 1.267 4.172 1.813 1.00 0.00 C ATOM 263 C VAL A 18 2.468 5.059 2.130 1.00 0.00 C ATOM 264 O VAL A 18 3.254 5.403 1.271 1.00 0.00 O ATOM 265 CB VAL A 18 1.662 2.711 1.973 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.404 1.855 2.122 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.446 2.255 0.740 1.00 0.00 C ATOM 0 H VAL A 18 1.459 4.281 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 18 0.465 4.425 2.507 1.00 0.00 H new ATOM 0 HB VAL A 18 2.284 2.599 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.687 0.809 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.154 2.178 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.219 1.967 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.729 1.209 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.825 2.367 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.344 2.864 0.634 1.00 0.00 H new ATOM 277 N THR A 19 2.609 5.421 3.376 1.00 0.00 N ATOM 278 CA THR A 19 3.758 6.283 3.783 1.00 0.00 C ATOM 279 C THR A 19 4.369 5.743 5.081 1.00 0.00 C ATOM 280 O THR A 19 4.278 4.571 5.379 1.00 0.00 O ATOM 281 CB THR A 19 3.261 7.712 4.009 1.00 0.00 C ATOM 282 OG1 THR A 19 1.912 7.815 3.579 1.00 0.00 O ATOM 283 CG2 THR A 19 4.130 8.686 3.213 1.00 0.00 C ATOM 0 H THR A 19 1.977 5.157 4.132 1.00 0.00 H new ATOM 0 HA THR A 19 4.514 6.278 2.998 1.00 0.00 H new ATOM 0 HB THR A 19 3.323 7.957 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.591 8.729 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.776 9.704 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.165 8.605 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.069 8.444 2.152 1.00 0.00 H new ATOM 291 N ASN A 20 4.986 6.591 5.859 1.00 0.00 N ATOM 292 CA ASN A 20 5.590 6.123 7.140 1.00 0.00 C ATOM 293 C ASN A 20 6.684 5.086 6.864 1.00 0.00 C ATOM 294 O ASN A 20 6.874 4.160 7.627 1.00 0.00 O ATOM 295 CB ASN A 20 4.500 5.487 8.007 1.00 0.00 C ATOM 296 CG ASN A 20 4.496 6.141 9.389 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.269 7.327 9.512 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.739 5.409 10.444 1.00 0.00 N ATOM 0 H ASN A 20 5.098 7.586 5.664 1.00 0.00 H new ATOM 0 HA ASN A 20 6.031 6.975 7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.526 5.610 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.676 4.415 8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.738 5.834 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.930 4.412 10.340 1.00 0.00 H new ATOM 305 N LEU A 21 7.410 5.231 5.789 1.00 0.00 N ATOM 306 CA LEU A 21 8.489 4.245 5.488 1.00 0.00 C ATOM 307 C LEU A 21 9.345 4.750 4.322 1.00 0.00 C ATOM 308 O LEU A 21 8.825 5.108 3.282 1.00 0.00 O ATOM 309 CB LEU A 21 7.864 2.894 5.123 1.00 0.00 C ATOM 310 CG LEU A 21 7.281 2.958 3.711 1.00 0.00 C ATOM 311 CD1 LEU A 21 8.369 2.616 2.693 1.00 0.00 C ATOM 312 CD2 LEU A 21 6.136 1.950 3.587 1.00 0.00 C ATOM 0 H LEU A 21 7.305 5.984 5.109 1.00 0.00 H new ATOM 0 HA LEU A 21 9.120 4.125 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.616 2.107 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.082 2.640 5.838 1.00 0.00 H new ATOM 0 HG LEU A 21 6.906 3.963 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.953 2.662 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.187 3.331 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.744 1.611 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.719 1.995 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.513 0.946 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.359 2.191 4.312 1.00 0.00 H new ATOM 324 N PRO A 22 10.634 4.757 4.534 1.00 0.00 N ATOM 325 CA PRO A 22 11.535 5.223 3.458 1.00 0.00 C ATOM 326 C PRO A 22 12.193 4.024 2.773 1.00 0.00 C ATOM 327 O PRO A 22 13.388 3.819 2.868 1.00 0.00 O ATOM 328 CB PRO A 22 12.583 6.073 4.175 1.00 0.00 C ATOM 329 CG PRO A 22 12.590 5.599 5.640 1.00 0.00 C ATOM 330 CD PRO A 22 11.244 4.894 5.878 1.00 0.00 C ATOM 0 HA PRO A 22 11.011 5.784 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.565 5.946 3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.336 7.133 4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.422 4.919 5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.712 6.442 6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.387 3.920 6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.606 5.477 6.542 1.00 0.00 H new ATOM 338 N ARG A 23 11.425 3.226 2.085 1.00 0.00 N ATOM 339 CA ARG A 23 12.007 2.040 1.398 1.00 0.00 C ATOM 340 C ARG A 23 12.615 1.096 2.438 1.00 0.00 C ATOM 341 O ARG A 23 13.772 0.731 2.357 1.00 0.00 O ATOM 342 CB ARG A 23 13.100 2.499 0.430 1.00 0.00 C ATOM 343 CG ARG A 23 12.516 3.515 -0.554 1.00 0.00 C ATOM 344 CD ARG A 23 13.576 4.562 -0.894 1.00 0.00 C ATOM 345 NE ARG A 23 14.672 3.925 -1.675 1.00 0.00 N ATOM 346 CZ ARG A 23 15.878 4.417 -1.628 1.00 0.00 C ATOM 347 NH1 ARG A 23 16.070 5.634 -1.202 1.00 0.00 N ATOM 348 NH2 ARG A 23 16.896 3.691 -2.005 1.00 0.00 N ATOM 0 H ARG A 23 10.419 3.344 1.969 1.00 0.00 H new ATOM 0 HA ARG A 23 11.225 1.519 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.926 2.946 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.504 1.643 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.184 3.010 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.640 3.997 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.130 5.373 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.975 5.001 0.020 1.00 0.00 H new ATOM 0 HE ARG A 23 14.479 3.103 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.276 6.202 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.014 6.019 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.748 2.738 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.839 4.077 -1.968 1.00 0.00 H new ATOM 362 N THR A 24 11.846 0.693 3.413 1.00 0.00 N ATOM 363 CA THR A 24 12.385 -0.231 4.452 1.00 0.00 C ATOM 364 C THR A 24 12.389 -1.660 3.906 1.00 0.00 C ATOM 365 O THR A 24 12.804 -2.589 4.571 1.00 0.00 O ATOM 366 CB THR A 24 11.503 -0.173 5.702 1.00 0.00 C ATOM 367 OG1 THR A 24 10.180 -0.569 5.366 1.00 0.00 O ATOM 368 CG2 THR A 24 11.486 1.252 6.257 1.00 0.00 C ATOM 0 H THR A 24 10.870 0.963 3.535 1.00 0.00 H new ATOM 0 HA THR A 24 13.401 0.069 4.710 1.00 0.00 H new ATOM 0 HB THR A 24 11.904 -0.848 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.615 -0.534 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.857 1.289 7.147 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.501 1.553 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.088 1.931 5.503 1.00 0.00 H new ATOM 376 N ILE A 25 11.928 -1.846 2.699 1.00 0.00 N ATOM 377 CA ILE A 25 11.902 -3.213 2.110 1.00 0.00 C ATOM 378 C ILE A 25 12.022 -3.111 0.587 1.00 0.00 C ATOM 379 O ILE A 25 12.468 -2.113 0.057 1.00 0.00 O ATOM 380 CB ILE A 25 10.582 -3.903 2.472 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.407 -3.097 1.904 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.453 -4.000 3.994 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.275 -1.762 2.644 1.00 0.00 C ATOM 0 H ILE A 25 11.568 -1.107 2.095 1.00 0.00 H new ATOM 0 HA ILE A 25 12.735 -3.795 2.505 1.00 0.00 H new ATOM 0 HB ILE A 25 10.570 -4.906 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.560 -2.918 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.484 -3.668 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.514 -4.491 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.285 -4.579 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.468 -2.999 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.438 -1.199 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.100 -1.949 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.193 -1.187 2.524 1.00 0.00 H new ATOM 395 N THR A 26 11.630 -4.134 -0.120 1.00 0.00 N ATOM 396 CA THR A 26 11.724 -4.092 -1.604 1.00 0.00 C ATOM 397 C THR A 26 10.339 -4.313 -2.210 1.00 0.00 C ATOM 398 O THR A 26 9.492 -4.966 -1.632 1.00 0.00 O ATOM 399 CB THR A 26 12.675 -5.190 -2.087 1.00 0.00 C ATOM 400 OG1 THR A 26 11.956 -6.405 -2.239 1.00 0.00 O ATOM 401 CG2 THR A 26 13.797 -5.379 -1.065 1.00 0.00 C ATOM 0 H THR A 26 11.249 -4.997 0.267 1.00 0.00 H new ATOM 0 HA THR A 26 12.105 -3.119 -1.916 1.00 0.00 H new ATOM 0 HB THR A 26 13.106 -4.903 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.564 -7.108 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.474 -6.161 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.348 -4.445 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.370 -5.666 -0.104 1.00 0.00 H new ATOM 409 N ASP A 27 10.102 -3.772 -3.372 1.00 0.00 N ATOM 410 CA ASP A 27 8.775 -3.949 -4.017 1.00 0.00 C ATOM 411 C ASP A 27 8.395 -5.429 -3.994 1.00 0.00 C ATOM 412 O ASP A 27 7.536 -5.849 -3.246 1.00 0.00 O ATOM 413 CB ASP A 27 8.849 -3.467 -5.468 1.00 0.00 C ATOM 414 CG ASP A 27 9.067 -1.953 -5.493 1.00 0.00 C ATOM 415 OD1 ASP A 27 8.746 -1.313 -4.506 1.00 0.00 O ATOM 416 OD2 ASP A 27 9.552 -1.461 -6.498 1.00 0.00 O ATOM 0 H ASP A 27 10.772 -3.215 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 27 8.025 -3.371 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.663 -3.971 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.929 -3.721 -5.994 1.00 0.00 H new ATOM 421 N ASP A 28 9.032 -6.219 -4.813 1.00 0.00 N ATOM 422 CA ASP A 28 8.713 -7.674 -4.853 1.00 0.00 C ATOM 423 C ASP A 28 8.536 -8.213 -3.431 1.00 0.00 C ATOM 424 O ASP A 28 7.844 -9.186 -3.211 1.00 0.00 O ATOM 425 CB ASP A 28 9.855 -8.425 -5.542 1.00 0.00 C ATOM 426 CG ASP A 28 11.163 -8.167 -4.791 1.00 0.00 C ATOM 427 OD1 ASP A 28 11.442 -8.902 -3.858 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.863 -7.240 -5.162 1.00 0.00 O ATOM 0 H ASP A 28 9.762 -5.919 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 28 7.786 -7.821 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.641 -9.493 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.947 -8.097 -6.577 1.00 0.00 H new ATOM 433 N GLN A 29 9.158 -7.595 -2.464 1.00 0.00 N ATOM 434 CA GLN A 29 9.024 -8.087 -1.063 1.00 0.00 C ATOM 435 C GLN A 29 7.571 -7.969 -0.600 1.00 0.00 C ATOM 436 O GLN A 29 6.958 -8.939 -0.202 1.00 0.00 O ATOM 437 CB GLN A 29 9.916 -7.254 -0.140 1.00 0.00 C ATOM 438 CG GLN A 29 10.846 -8.178 0.648 1.00 0.00 C ATOM 439 CD GLN A 29 11.569 -7.370 1.728 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.241 -6.402 1.431 1.00 0.00 O ATOM 441 NE2 GLN A 29 11.462 -7.728 2.977 1.00 0.00 N ATOM 0 H GLN A 29 9.751 -6.774 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 29 9.329 -9.133 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.502 -6.546 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.302 -6.670 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.273 -8.985 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.571 -8.640 -0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.898 -8.540 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.942 -7.196 3.703 1.00 0.00 H new ATOM 450 N LEU A 30 7.020 -6.789 -0.632 1.00 0.00 N ATOM 451 CA LEU A 30 5.610 -6.617 -0.179 1.00 0.00 C ATOM 452 C LEU A 30 4.734 -7.727 -0.770 1.00 0.00 C ATOM 453 O LEU A 30 3.911 -8.307 -0.092 1.00 0.00 O ATOM 454 CB LEU A 30 5.084 -5.259 -0.645 1.00 0.00 C ATOM 455 CG LEU A 30 5.156 -4.252 0.505 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.590 -3.739 0.633 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.222 -3.081 0.199 1.00 0.00 C ATOM 0 H LEU A 30 7.482 -5.938 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 30 5.577 -6.670 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.672 -4.902 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.055 -5.357 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 30 4.855 -4.729 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.648 -3.021 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.259 -4.575 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.887 -3.254 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.266 -2.358 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.532 -2.602 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.201 -3.448 0.095 1.00 0.00 H new ATOM 469 N ASP A 31 4.894 -8.021 -2.029 1.00 0.00 N ATOM 470 CA ASP A 31 4.058 -9.085 -2.653 1.00 0.00 C ATOM 471 C ASP A 31 4.276 -10.416 -1.929 1.00 0.00 C ATOM 472 O ASP A 31 3.350 -11.170 -1.708 1.00 0.00 O ATOM 473 CB ASP A 31 4.442 -9.238 -4.124 1.00 0.00 C ATOM 474 CG ASP A 31 3.590 -10.338 -4.760 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.395 -10.347 -4.515 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.148 -11.151 -5.478 1.00 0.00 O ATOM 0 H ASP A 31 5.565 -7.573 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 31 3.008 -8.804 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.291 -8.296 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.500 -9.486 -4.211 1.00 0.00 H new ATOM 481 N THR A 32 5.494 -10.718 -1.574 1.00 0.00 N ATOM 482 CA THR A 32 5.772 -12.009 -0.880 1.00 0.00 C ATOM 483 C THR A 32 5.372 -11.925 0.598 1.00 0.00 C ATOM 484 O THR A 32 5.340 -12.922 1.291 1.00 0.00 O ATOM 485 CB THR A 32 7.266 -12.323 -0.977 1.00 0.00 C ATOM 486 OG1 THR A 32 7.727 -12.020 -2.286 1.00 0.00 O ATOM 487 CG2 THR A 32 7.501 -13.805 -0.683 1.00 0.00 C ATOM 0 H THR A 32 6.310 -10.127 -1.734 1.00 0.00 H new ATOM 0 HA THR A 32 5.189 -12.796 -1.359 1.00 0.00 H new ATOM 0 HB THR A 32 7.811 -11.721 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.852 -11.052 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.566 -14.025 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.148 -14.037 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.957 -14.410 -1.408 1.00 0.00 H new ATOM 495 N ILE A 33 5.075 -10.754 1.095 1.00 0.00 N ATOM 496 CA ILE A 33 4.692 -10.645 2.533 1.00 0.00 C ATOM 497 C ILE A 33 3.198 -10.956 2.701 1.00 0.00 C ATOM 498 O ILE A 33 2.809 -11.700 3.578 1.00 0.00 O ATOM 499 CB ILE A 33 5.026 -9.235 3.057 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.469 -9.341 4.519 1.00 0.00 C ATOM 501 CG2 ILE A 33 3.805 -8.310 2.963 1.00 0.00 C ATOM 502 CD1 ILE A 33 4.393 -10.068 5.328 1.00 0.00 C ATOM 0 H ILE A 33 5.081 -9.877 0.574 1.00 0.00 H new ATOM 0 HA ILE A 33 5.259 -11.370 3.116 1.00 0.00 H new ATOM 0 HB ILE A 33 5.824 -8.814 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.414 -9.879 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.639 -8.346 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.068 -7.321 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.488 -8.230 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.991 -8.721 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.709 -10.143 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.457 -9.511 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.245 -11.068 4.921 1.00 0.00 H new ATOM 514 N PHE A 34 2.358 -10.399 1.869 1.00 0.00 N ATOM 515 CA PHE A 34 0.897 -10.679 1.996 1.00 0.00 C ATOM 516 C PHE A 34 0.471 -11.671 0.908 1.00 0.00 C ATOM 517 O PHE A 34 -0.229 -12.623 1.186 1.00 0.00 O ATOM 518 CB PHE A 34 0.096 -9.376 1.857 1.00 0.00 C ATOM 519 CG PHE A 34 0.449 -8.688 0.564 1.00 0.00 C ATOM 520 CD1 PHE A 34 -0.196 -9.054 -0.622 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.423 -7.686 0.550 1.00 0.00 C ATOM 522 CE1 PHE A 34 0.133 -8.416 -1.821 1.00 0.00 C ATOM 523 CE2 PHE A 34 1.750 -7.047 -0.648 1.00 0.00 C ATOM 524 CZ PHE A 34 1.108 -7.413 -1.834 1.00 0.00 C ATOM 0 H PHE A 34 2.617 -9.767 1.112 1.00 0.00 H new ATOM 0 HA PHE A 34 0.699 -11.110 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.972 -9.592 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.309 -8.717 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.948 -9.829 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.923 -7.406 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.365 -8.697 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.500 -6.269 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.365 -6.921 -2.761 1.00 0.00 H new ATOM 534 N GLY A 35 0.902 -11.444 -0.316 1.00 0.00 N ATOM 535 CA GLY A 35 0.558 -12.349 -1.468 1.00 0.00 C ATOM 536 C GLY A 35 -0.606 -13.283 -1.119 1.00 0.00 C ATOM 537 O GLY A 35 -0.466 -14.490 -1.131 1.00 0.00 O ATOM 0 H GLY A 35 1.491 -10.651 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.295 -11.748 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.432 -12.941 -1.741 1.00 0.00 H new ATOM 541 N LYS A 36 -1.748 -12.741 -0.797 1.00 0.00 N ATOM 542 CA LYS A 36 -2.901 -13.613 -0.437 1.00 0.00 C ATOM 543 C LYS A 36 -4.169 -13.153 -1.164 1.00 0.00 C ATOM 544 O LYS A 36 -5.055 -13.941 -1.431 1.00 0.00 O ATOM 545 CB LYS A 36 -3.131 -13.546 1.076 1.00 0.00 C ATOM 546 CG LYS A 36 -4.034 -14.704 1.505 1.00 0.00 C ATOM 547 CD LYS A 36 -5.193 -14.168 2.349 1.00 0.00 C ATOM 548 CE LYS A 36 -6.265 -15.250 2.488 1.00 0.00 C ATOM 549 NZ LYS A 36 -7.400 -14.723 3.300 1.00 0.00 N ATOM 0 H LYS A 36 -1.932 -11.738 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.677 -14.637 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.178 -13.599 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.590 -12.594 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.420 -15.222 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.460 -15.432 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.833 -13.870 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.617 -13.279 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.619 -15.555 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.844 -16.136 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.130 -15.458 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.056 -14.453 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.807 -13.890 2.828 1.00 0.00 H new ATOM 563 N TYR A 37 -4.279 -11.890 -1.478 1.00 0.00 N ATOM 564 CA TYR A 37 -5.510 -11.407 -2.173 1.00 0.00 C ATOM 565 C TYR A 37 -5.178 -10.984 -3.616 1.00 0.00 C ATOM 566 O TYR A 37 -5.050 -11.812 -4.496 1.00 0.00 O ATOM 567 CB TYR A 37 -6.118 -10.226 -1.396 1.00 0.00 C ATOM 568 CG TYR A 37 -5.090 -9.630 -0.452 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.967 -10.137 0.847 1.00 0.00 C ATOM 570 CD2 TYR A 37 -4.262 -8.574 -0.868 1.00 0.00 C ATOM 571 CE1 TYR A 37 -4.022 -9.595 1.727 1.00 0.00 C ATOM 572 CE2 TYR A 37 -3.319 -8.033 0.013 1.00 0.00 C ATOM 573 CZ TYR A 37 -3.201 -8.543 1.309 1.00 0.00 C ATOM 574 OH TYR A 37 -2.272 -8.005 2.175 1.00 0.00 O ATOM 0 H TYR A 37 -3.577 -11.176 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.237 -12.218 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.466 -9.464 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.988 -10.563 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.602 -10.948 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.353 -8.179 -1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.927 -9.989 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.683 -7.222 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.604 -7.501 1.666 1.00 0.00 H new ATOM 584 N GLY A 38 -5.038 -9.709 -3.868 1.00 0.00 N ATOM 585 CA GLY A 38 -4.716 -9.242 -5.246 1.00 0.00 C ATOM 586 C GLY A 38 -3.226 -9.436 -5.499 1.00 0.00 C ATOM 587 O GLY A 38 -2.426 -9.404 -4.584 1.00 0.00 O ATOM 0 H GLY A 38 -5.134 -8.968 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.298 -9.801 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.984 -8.192 -5.360 1.00 0.00 H new ATOM 591 N SER A 39 -2.836 -9.619 -6.728 1.00 0.00 N ATOM 592 CA SER A 39 -1.388 -9.789 -7.022 1.00 0.00 C ATOM 593 C SER A 39 -0.773 -8.404 -7.215 1.00 0.00 C ATOM 594 O SER A 39 -0.031 -8.173 -8.144 1.00 0.00 O ATOM 595 CB SER A 39 -1.214 -10.616 -8.298 1.00 0.00 C ATOM 596 OG SER A 39 0.159 -10.942 -8.466 1.00 0.00 O ATOM 0 H SER A 39 -3.454 -9.658 -7.538 1.00 0.00 H new ATOM 0 HA SER A 39 -0.895 -10.307 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.811 -11.526 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.574 -10.055 -9.160 1.00 0.00 H new ATOM 0 HG SER A 39 0.695 -10.122 -8.445 1.00 0.00 H new ATOM 602 N ILE A 40 -1.105 -7.488 -6.336 1.00 0.00 N ATOM 603 CA ILE A 40 -0.592 -6.084 -6.416 1.00 0.00 C ATOM 604 C ILE A 40 -0.566 -5.603 -7.866 1.00 0.00 C ATOM 605 O ILE A 40 0.220 -6.042 -8.679 1.00 0.00 O ATOM 606 CB ILE A 40 0.807 -5.964 -5.794 1.00 0.00 C ATOM 607 CG1 ILE A 40 1.494 -7.332 -5.742 1.00 0.00 C ATOM 608 CG2 ILE A 40 0.683 -5.403 -4.381 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.825 -8.210 -4.685 1.00 0.00 C ATOM 0 H ILE A 40 -1.727 -7.661 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.272 -5.451 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 40 1.409 -5.295 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.437 -7.815 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.552 -7.209 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.674 -5.316 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.215 -4.419 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.071 -6.072 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.319 -9.181 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.905 -7.730 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.227 -8.345 -4.937 1.00 0.00 H new ATOM 621 N VAL A 41 -1.428 -4.685 -8.187 1.00 0.00 N ATOM 622 CA VAL A 41 -1.480 -4.162 -9.577 1.00 0.00 C ATOM 623 C VAL A 41 -0.335 -3.168 -9.815 1.00 0.00 C ATOM 624 O VAL A 41 -0.265 -2.535 -10.851 1.00 0.00 O ATOM 625 CB VAL A 41 -2.823 -3.461 -9.795 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.934 -4.501 -9.957 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.135 -2.592 -8.582 1.00 0.00 C ATOM 0 H VAL A 41 -2.103 -4.272 -7.544 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.374 -4.990 -10.278 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.766 -2.848 -10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.887 -3.995 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.716 -5.135 -10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.991 -5.115 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.091 -2.089 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.188 -3.217 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.349 -1.847 -8.456 1.00 0.00 H new ATOM 637 N GLN A 42 0.573 -3.036 -8.879 1.00 0.00 N ATOM 638 CA GLN A 42 1.717 -2.094 -9.078 1.00 0.00 C ATOM 639 C GLN A 42 2.385 -1.777 -7.734 1.00 0.00 C ATOM 640 O GLN A 42 2.255 -0.689 -7.211 1.00 0.00 O ATOM 641 CB GLN A 42 1.212 -0.795 -9.708 1.00 0.00 C ATOM 642 CG GLN A 42 1.744 -0.684 -11.139 1.00 0.00 C ATOM 643 CD GLN A 42 2.445 0.663 -11.323 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.172 1.606 -10.608 1.00 0.00 O ATOM 645 NE2 GLN A 42 3.346 0.793 -12.259 1.00 0.00 N ATOM 0 H GLN A 42 0.572 -3.537 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 42 2.446 -2.565 -9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.122 -0.779 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.542 0.060 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.439 -1.498 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.924 -0.779 -11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.575 0.001 -12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.820 1.686 -12.390 1.00 0.00 H new ATOM 654 N LYS A 43 3.111 -2.707 -7.175 1.00 0.00 N ATOM 655 CA LYS A 43 3.788 -2.429 -5.875 1.00 0.00 C ATOM 656 C LYS A 43 5.103 -1.687 -6.145 1.00 0.00 C ATOM 657 O LYS A 43 5.992 -2.199 -6.795 1.00 0.00 O ATOM 658 CB LYS A 43 4.067 -3.750 -5.140 1.00 0.00 C ATOM 659 CG LYS A 43 5.336 -4.408 -5.693 1.00 0.00 C ATOM 660 CD LYS A 43 5.390 -5.873 -5.257 1.00 0.00 C ATOM 661 CE LYS A 43 4.950 -6.761 -6.423 1.00 0.00 C ATOM 662 NZ LYS A 43 5.707 -6.384 -7.651 1.00 0.00 N ATOM 0 H LYS A 43 3.264 -3.640 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 43 3.145 -1.811 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.182 -3.563 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.219 -4.425 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.347 -4.342 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.218 -3.879 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.401 -6.135 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.740 -6.033 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.127 -7.809 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.879 -6.649 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.938 -7.241 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.126 -5.750 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.586 -5.898 -7.381 1.00 0.00 H new ATOM 676 N ASN A 44 5.233 -0.482 -5.660 1.00 0.00 N ATOM 677 CA ASN A 44 6.492 0.275 -5.906 1.00 0.00 C ATOM 678 C ASN A 44 6.707 1.314 -4.805 1.00 0.00 C ATOM 679 O ASN A 44 5.834 1.580 -3.999 1.00 0.00 O ATOM 680 CB ASN A 44 6.403 0.982 -7.259 1.00 0.00 C ATOM 681 CG ASN A 44 5.167 1.882 -7.284 1.00 0.00 C ATOM 682 OD1 ASN A 44 5.082 2.839 -6.542 1.00 0.00 O ATOM 683 ND2 ASN A 44 4.197 1.611 -8.114 1.00 0.00 N ATOM 0 H ASN A 44 4.528 0.007 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 44 7.330 -0.421 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.301 1.575 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.347 0.247 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.367 2.203 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.269 0.807 -8.737 1.00 0.00 H new ATOM 690 N ILE A 45 7.870 1.908 -4.772 1.00 0.00 N ATOM 691 CA ILE A 45 8.163 2.936 -3.738 1.00 0.00 C ATOM 692 C ILE A 45 8.353 4.293 -4.420 1.00 0.00 C ATOM 693 O ILE A 45 8.420 4.381 -5.630 1.00 0.00 O ATOM 694 CB ILE A 45 9.444 2.556 -2.993 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.407 1.065 -2.646 1.00 0.00 C ATOM 696 CG2 ILE A 45 9.549 3.378 -1.709 1.00 0.00 C ATOM 697 CD1 ILE A 45 10.682 0.680 -1.893 1.00 0.00 C ATOM 0 H ILE A 45 8.633 1.722 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 45 7.336 2.993 -3.030 1.00 0.00 H new ATOM 0 HB ILE A 45 10.308 2.760 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.532 0.845 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.317 0.472 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.462 3.108 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.574 4.439 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.686 3.174 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.653 -0.382 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.550 0.884 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.752 1.263 -0.975 1.00 0.00 H new ATOM 709 N LEU A 46 8.441 5.351 -3.662 1.00 0.00 N ATOM 710 CA LEU A 46 8.625 6.691 -4.286 1.00 0.00 C ATOM 711 C LEU A 46 9.807 7.412 -3.638 1.00 0.00 C ATOM 712 O LEU A 46 9.767 7.778 -2.480 1.00 0.00 O ATOM 713 CB LEU A 46 7.359 7.524 -4.091 1.00 0.00 C ATOM 714 CG LEU A 46 6.230 6.937 -4.934 1.00 0.00 C ATOM 715 CD1 LEU A 46 5.012 6.687 -4.046 1.00 0.00 C ATOM 716 CD2 LEU A 46 5.860 7.923 -6.044 1.00 0.00 C ATOM 0 H LEU A 46 8.394 5.346 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 46 8.821 6.562 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.075 7.533 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.543 8.559 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 46 6.555 5.996 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.204 6.268 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.277 5.987 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.685 7.628 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.054 7.506 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.532 8.863 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.730 8.103 -6.676 1.00 0.00 H new ATOM 728 N ARG A 47 10.854 7.629 -4.383 1.00 0.00 N ATOM 729 CA ARG A 47 12.039 8.336 -3.823 1.00 0.00 C ATOM 730 C ARG A 47 12.487 9.408 -4.817 1.00 0.00 C ATOM 731 O ARG A 47 11.735 9.819 -5.678 1.00 0.00 O ATOM 732 CB ARG A 47 13.174 7.336 -3.594 1.00 0.00 C ATOM 733 CG ARG A 47 13.597 6.723 -4.931 1.00 0.00 C ATOM 734 CD ARG A 47 14.673 5.664 -4.687 1.00 0.00 C ATOM 735 NE ARG A 47 15.337 5.323 -5.977 1.00 0.00 N ATOM 736 CZ ARG A 47 16.554 4.852 -5.980 1.00 0.00 C ATOM 737 NH1 ARG A 47 16.822 3.731 -5.370 1.00 0.00 N ATOM 738 NH2 ARG A 47 17.503 5.502 -6.597 1.00 0.00 N ATOM 0 H ARG A 47 10.940 7.346 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 47 11.779 8.800 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.023 7.835 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.849 6.552 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.736 6.275 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.979 7.499 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.409 6.036 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.227 4.771 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 47 14.840 5.458 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.080 3.222 -4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.774 3.364 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.293 6.378 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.454 5.134 -6.600 1.00 0.00 H new ATOM 888 N GLY A 56 9.758 10.675 0.529 1.00 0.00 N ATOM 889 CA GLY A 56 9.933 9.220 0.793 1.00 0.00 C ATOM 890 C GLY A 56 8.576 8.611 1.147 1.00 0.00 C ATOM 891 O GLY A 56 8.141 8.656 2.280 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.350 8.726 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.638 9.068 1.610 1.00 0.00 H new ATOM 895 N VAL A 57 7.899 8.050 0.184 1.00 0.00 N ATOM 896 CA VAL A 57 6.565 7.450 0.468 1.00 0.00 C ATOM 897 C VAL A 57 6.393 6.168 -0.354 1.00 0.00 C ATOM 898 O VAL A 57 6.744 6.111 -1.515 1.00 0.00 O ATOM 899 CB VAL A 57 5.475 8.462 0.100 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.808 9.106 -1.247 1.00 0.00 C ATOM 901 CG2 VAL A 57 4.120 7.756 0.006 1.00 0.00 C ATOM 0 H VAL A 57 8.210 7.981 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 57 6.487 7.202 1.526 1.00 0.00 H new ATOM 0 HB VAL A 57 5.427 9.231 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.032 9.826 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.768 9.617 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.861 8.335 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.349 8.481 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.165 6.982 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.879 7.302 0.967 1.00 0.00 H new ATOM 911 N ALA A 58 5.849 5.139 0.244 1.00 0.00 N ATOM 912 CA ALA A 58 5.650 3.860 -0.496 1.00 0.00 C ATOM 913 C ALA A 58 4.282 3.878 -1.177 1.00 0.00 C ATOM 914 O ALA A 58 3.506 4.796 -0.999 1.00 0.00 O ATOM 915 CB ALA A 58 5.705 2.686 0.483 1.00 0.00 C ATOM 0 H ALA A 58 5.534 5.131 1.214 1.00 0.00 H new ATOM 0 HA ALA A 58 6.435 3.750 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.559 1.752 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.676 2.670 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.919 2.798 1.230 1.00 0.00 H new ATOM 921 N PHE A 59 3.974 2.873 -1.950 1.00 0.00 N ATOM 922 CA PHE A 59 2.649 2.851 -2.627 1.00 0.00 C ATOM 923 C PHE A 59 2.270 1.420 -3.008 1.00 0.00 C ATOM 924 O PHE A 59 2.770 0.867 -3.969 1.00 0.00 O ATOM 925 CB PHE A 59 2.704 3.716 -3.891 1.00 0.00 C ATOM 926 CG PHE A 59 1.300 4.003 -4.387 1.00 0.00 C ATOM 927 CD1 PHE A 59 0.194 3.383 -3.786 1.00 0.00 C ATOM 928 CD2 PHE A 59 1.105 4.893 -5.450 1.00 0.00 C ATOM 929 CE1 PHE A 59 -1.099 3.655 -4.246 1.00 0.00 C ATOM 930 CE2 PHE A 59 -0.191 5.163 -5.909 1.00 0.00 C ATOM 931 CZ PHE A 59 -1.292 4.544 -5.307 1.00 0.00 C ATOM 0 H PHE A 59 4.577 2.073 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 59 1.899 3.246 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.221 4.652 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.275 3.205 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.341 2.695 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.954 5.371 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.949 3.178 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.340 5.850 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.290 4.753 -5.662 1.00 0.00 H new ATOM 941 N VAL A 60 1.364 0.828 -2.281 1.00 0.00 N ATOM 942 CA VAL A 60 0.918 -0.551 -2.619 1.00 0.00 C ATOM 943 C VAL A 60 -0.273 -0.411 -3.570 1.00 0.00 C ATOM 944 O VAL A 60 -0.897 0.632 -3.636 1.00 0.00 O ATOM 945 CB VAL A 60 0.510 -1.289 -1.328 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.475 -2.422 -1.628 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.749 -1.897 -0.668 1.00 0.00 C ATOM 0 H VAL A 60 0.912 1.241 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 60 1.712 -1.128 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 60 0.036 -0.564 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.745 -2.925 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.372 -2.011 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.011 -3.138 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.457 -2.418 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.218 -2.602 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.456 -1.105 -0.423 1.00 0.00 H new ATOM 957 N ARG A 61 -0.595 -1.424 -4.321 1.00 0.00 N ATOM 958 CA ARG A 61 -1.743 -1.293 -5.261 1.00 0.00 C ATOM 959 C ARG A 61 -2.570 -2.583 -5.268 1.00 0.00 C ATOM 960 O ARG A 61 -2.053 -3.669 -5.111 1.00 0.00 O ATOM 961 CB ARG A 61 -1.217 -1.013 -6.672 1.00 0.00 C ATOM 962 CG ARG A 61 -0.280 0.196 -6.649 1.00 0.00 C ATOM 963 CD ARG A 61 -1.103 1.483 -6.702 1.00 0.00 C ATOM 964 NE ARG A 61 -1.865 1.531 -7.982 1.00 0.00 N ATOM 965 CZ ARG A 61 -1.239 1.752 -9.107 1.00 0.00 C ATOM 966 NH1 ARG A 61 -0.211 2.557 -9.136 1.00 0.00 N ATOM 967 NH2 ARG A 61 -1.638 1.165 -10.202 1.00 0.00 N ATOM 0 H ARG A 61 -0.121 -2.327 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.377 -0.468 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.688 -1.887 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.050 -0.825 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.330 0.179 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.404 0.155 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.789 1.524 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.448 2.350 -6.623 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.875 1.391 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.104 3.014 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.277 2.729 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.439 0.534 -10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.149 1.338 -11.080 1.00 0.00 H new ATOM 981 N TYR A 62 -3.856 -2.464 -5.461 1.00 0.00 N ATOM 982 CA TYR A 62 -4.736 -3.668 -5.497 1.00 0.00 C ATOM 983 C TYR A 62 -6.024 -3.312 -6.220 1.00 0.00 C ATOM 984 O TYR A 62 -6.495 -2.195 -6.143 1.00 0.00 O ATOM 985 CB TYR A 62 -5.139 -4.088 -4.086 1.00 0.00 C ATOM 986 CG TYR A 62 -3.951 -4.531 -3.280 1.00 0.00 C ATOM 987 CD1 TYR A 62 -3.172 -5.616 -3.691 1.00 0.00 C ATOM 988 CD2 TYR A 62 -3.653 -3.864 -2.094 1.00 0.00 C ATOM 989 CE1 TYR A 62 -2.091 -6.031 -2.906 1.00 0.00 C ATOM 990 CE2 TYR A 62 -2.573 -4.273 -1.314 1.00 0.00 C ATOM 991 CZ TYR A 62 -1.789 -5.357 -1.717 1.00 0.00 C ATOM 992 OH TYR A 62 -0.722 -5.766 -0.942 1.00 0.00 O ATOM 0 H TYR A 62 -4.339 -1.576 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.189 -4.471 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.630 -3.254 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.865 -4.899 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.404 -6.132 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.260 -3.028 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.489 -6.872 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.342 -3.751 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.192 -6.425 -1.437 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.634 -4.247 -6.883 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.919 -3.915 -7.546 1.00 0.00 C ATOM 1004 C ASN A 63 -9.035 -4.798 -6.988 1.00 0.00 C ATOM 1005 O ASN A 63 -9.538 -5.682 -7.652 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.835 -4.079 -9.054 1.00 0.00 C ATOM 1007 CG ASN A 63 -7.021 -5.327 -9.408 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -6.887 -6.229 -8.605 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -6.469 -5.419 -10.588 1.00 0.00 N ATOM 0 H ASN A 63 -6.308 -5.207 -6.994 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.139 -2.868 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.837 -4.159 -9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.373 -3.197 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.927 -6.247 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.580 -4.663 -11.263 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.434 -4.545 -5.772 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.529 -5.338 -5.149 1.00 0.00 C ATOM 1018 C LYS A 64 -10.918 -4.677 -3.830 1.00 0.00 C ATOM 1019 O LYS A 64 -10.282 -4.880 -2.823 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.059 -6.767 -4.878 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.167 -7.747 -5.270 1.00 0.00 C ATOM 1022 CD LYS A 64 -10.566 -8.910 -6.059 1.00 0.00 C ATOM 1023 CE LYS A 64 -10.899 -10.228 -5.357 1.00 0.00 C ATOM 1024 NZ LYS A 64 -9.673 -11.074 -5.287 1.00 0.00 N ATOM 0 H LYS A 64 -9.043 -3.814 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.384 -5.372 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.153 -6.978 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.809 -6.886 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.669 -8.121 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.921 -7.238 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.961 -8.917 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.485 -8.790 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.278 -10.033 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.686 -10.753 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.897 -11.971 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.331 -11.270 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.935 -10.572 -4.753 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.945 -3.874 -3.845 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.389 -3.164 -2.598 1.00 0.00 C ATOM 1040 C ARG A 65 -12.134 -4.040 -1.366 1.00 0.00 C ATOM 1041 O ARG A 65 -11.509 -3.617 -0.406 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.891 -2.821 -2.680 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.544 -3.502 -3.892 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.383 -2.613 -5.131 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.477 -1.601 -5.162 1.00 0.00 N ATOM 1046 CZ ARG A 65 -15.449 -0.585 -4.341 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -14.397 0.185 -4.294 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -16.473 -0.341 -3.570 1.00 0.00 N ATOM 0 H ARG A 65 -12.506 -3.673 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.815 -2.242 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.391 -3.140 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.018 -1.741 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.083 -4.474 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.601 -3.681 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.413 -2.115 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.411 -3.222 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.247 -1.702 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.598 -0.006 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.374 0.978 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.295 -0.943 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.451 0.452 -2.929 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.592 -5.261 -1.382 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.352 -6.150 -0.212 1.00 0.00 C ATOM 1064 C GLU A 66 -10.847 -6.244 0.023 1.00 0.00 C ATOM 1065 O GLU A 66 -10.362 -6.062 1.122 1.00 0.00 O ATOM 1066 CB GLU A 66 -12.915 -7.544 -0.497 1.00 0.00 C ATOM 1067 CG GLU A 66 -12.675 -8.449 0.715 1.00 0.00 C ATOM 1068 CD GLU A 66 -13.926 -8.467 1.594 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.411 -7.397 1.919 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.377 -9.550 1.927 1.00 0.00 O ATOM 0 H GLU A 66 -13.118 -5.679 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.845 -5.745 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.982 -7.480 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.437 -7.967 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.435 -9.460 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.820 -8.089 1.288 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.106 -6.530 -1.008 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.631 -6.640 -0.861 1.00 0.00 C ATOM 1079 C GLU A 67 -8.068 -5.386 -0.186 1.00 0.00 C ATOM 1080 O GLU A 67 -7.297 -5.474 0.746 1.00 0.00 O ATOM 1081 CB GLU A 67 -7.988 -6.797 -2.235 1.00 0.00 C ATOM 1082 CG GLU A 67 -6.516 -7.145 -2.046 1.00 0.00 C ATOM 1083 CD GLU A 67 -5.738 -5.893 -1.646 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -6.236 -4.807 -1.890 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -4.657 -6.040 -1.102 1.00 0.00 O ATOM 0 H GLU A 67 -10.460 -6.693 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.407 -7.511 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.492 -7.580 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.088 -5.875 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.409 -7.912 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.109 -7.559 -2.969 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.431 -4.215 -0.643 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.894 -2.988 0.001 1.00 0.00 C ATOM 1094 C ALA A 68 -8.025 -3.153 1.510 1.00 0.00 C ATOM 1095 O ALA A 68 -7.101 -2.897 2.255 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.683 -1.765 -0.468 1.00 0.00 C ATOM 0 H ALA A 68 -9.068 -4.060 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.848 -2.842 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.284 -0.870 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.597 -1.669 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.732 -1.883 -0.197 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.160 -3.615 1.966 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.329 -3.830 3.430 1.00 0.00 C ATOM 1104 C GLN A 69 -8.194 -4.734 3.919 1.00 0.00 C ATOM 1105 O GLN A 69 -7.565 -4.471 4.924 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.678 -4.500 3.706 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.299 -3.897 4.968 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.748 -4.368 5.107 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.045 -5.530 4.913 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.670 -3.506 5.442 1.00 0.00 N ATOM 0 H GLN A 69 -9.970 -3.850 1.392 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.301 -2.874 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.346 -4.360 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.543 -5.574 3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.724 -4.194 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.264 -2.809 4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.421 -2.530 5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.639 -3.808 5.541 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.922 -5.795 3.204 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.816 -6.712 3.613 1.00 0.00 C ATOM 1121 C GLU A 70 -5.545 -5.903 3.821 1.00 0.00 C ATOM 1122 O GLU A 70 -5.022 -5.799 4.913 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.545 -7.725 2.497 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.335 -9.008 2.763 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.620 -8.999 1.931 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -8.568 -9.435 0.792 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.632 -8.557 2.447 1.00 0.00 O ATOM 0 H GLU A 70 -8.418 -6.066 2.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.104 -7.225 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.830 -7.304 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.479 -7.947 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.731 -9.879 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.576 -9.086 3.823 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.044 -5.342 2.761 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.795 -4.542 2.840 1.00 0.00 C ATOM 1136 C ALA A 71 -3.906 -3.467 3.918 1.00 0.00 C ATOM 1137 O ALA A 71 -2.923 -2.891 4.335 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.555 -3.881 1.492 1.00 0.00 C ATOM 0 H ALA A 71 -5.453 -5.405 1.829 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.965 -5.201 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.640 -3.289 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.456 -4.648 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.396 -3.231 1.250 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.084 -3.179 4.374 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.219 -2.141 5.423 1.00 0.00 C ATOM 1146 C ILE A 72 -4.997 -2.788 6.791 1.00 0.00 C ATOM 1147 O ILE A 72 -3.992 -2.570 7.430 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.611 -1.526 5.330 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.782 -0.948 3.904 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.764 -0.439 6.403 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.822 0.588 3.927 1.00 0.00 C ATOM 0 H ILE A 72 -5.955 -3.613 4.069 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.478 -1.353 5.286 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.385 -2.273 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.960 -1.283 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.701 -1.332 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.759 0.001 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.628 -0.881 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.014 0.336 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.943 0.964 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.660 0.921 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.892 0.970 4.347 1.00 0.00 H new ATOM 1163 N SER A 73 -5.908 -3.601 7.241 1.00 0.00 N ATOM 1164 CA SER A 73 -5.721 -4.261 8.565 1.00 0.00 C ATOM 1165 C SER A 73 -4.431 -5.096 8.575 1.00 0.00 C ATOM 1166 O SER A 73 -4.020 -5.587 9.607 1.00 0.00 O ATOM 1167 CB SER A 73 -6.909 -5.178 8.855 1.00 0.00 C ATOM 1168 OG SER A 73 -6.600 -6.005 9.970 1.00 0.00 O ATOM 0 H SER A 73 -6.772 -3.838 6.753 1.00 0.00 H new ATOM 0 HA SER A 73 -5.651 -3.487 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.799 -4.585 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.131 -5.792 7.982 1.00 0.00 H new ATOM 0 HG SER A 73 -5.664 -5.870 10.228 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.792 -5.281 7.446 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.548 -6.106 7.437 1.00 0.00 C ATOM 1176 C ALA A 74 -1.398 -5.365 6.736 1.00 0.00 C ATOM 1177 O ALA A 74 -0.321 -5.225 7.282 1.00 0.00 O ATOM 1178 CB ALA A 74 -2.824 -7.420 6.703 1.00 0.00 C ATOM 0 H ALA A 74 -4.074 -4.901 6.542 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.253 -6.301 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.919 -8.028 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.620 -7.962 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.130 -7.207 5.679 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.604 -4.910 5.527 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.506 -4.203 4.792 1.00 0.00 C ATOM 1186 C LEU A 75 -0.416 -2.732 5.227 1.00 0.00 C ATOM 1187 O LEU A 75 0.367 -1.975 4.687 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.765 -4.288 3.283 1.00 0.00 C ATOM 1189 CG LEU A 75 0.542 -4.076 2.516 1.00 0.00 C ATOM 1190 CD1 LEU A 75 1.336 -5.381 2.477 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.227 -3.646 1.082 1.00 0.00 C ATOM 0 H LEU A 75 -2.482 -4.996 5.016 1.00 0.00 H new ATOM 0 HA LEU A 75 0.442 -4.687 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.190 -5.260 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.496 -3.535 2.988 1.00 0.00 H new ATOM 0 HG LEU A 75 1.128 -3.305 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.266 -5.225 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.563 -5.699 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.747 -6.151 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.157 -3.495 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.361 -4.421 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.340 -2.715 1.097 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.175 -2.319 6.215 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.074 -0.897 6.681 1.00 0.00 C ATOM 1205 C ASN A 76 0.033 -0.807 7.734 1.00 0.00 C ATOM 1206 O ASN A 76 0.062 0.084 8.558 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.407 -0.440 7.291 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.542 -0.965 8.727 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.234 -0.379 9.537 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.910 -2.054 9.078 1.00 0.00 N ATOM 0 H ASN A 76 -1.852 -2.896 6.714 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.842 -0.250 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.462 0.649 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.236 -0.803 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.998 -2.410 10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.329 -2.547 8.400 1.00 0.00 H new ATOM 1217 N ASN A 77 0.932 -1.745 7.707 1.00 0.00 N ATOM 1218 CA ASN A 77 2.042 -1.772 8.684 1.00 0.00 C ATOM 1219 C ASN A 77 2.880 -3.022 8.411 1.00 0.00 C ATOM 1220 O ASN A 77 2.815 -3.988 9.141 1.00 0.00 O ATOM 1221 CB ASN A 77 1.472 -1.842 10.103 1.00 0.00 C ATOM 1222 CG ASN A 77 0.600 -3.092 10.236 1.00 0.00 C ATOM 1223 OD1 ASN A 77 0.233 -3.698 9.249 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.250 -3.508 11.423 1.00 0.00 N ATOM 0 H ASN A 77 0.941 -2.510 7.032 1.00 0.00 H new ATOM 0 HA ASN A 77 2.653 -0.874 8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.282 -1.870 10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.883 -0.950 10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.331 -4.341 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.557 -3.000 12.253 1.00 0.00 H new ATOM 1231 N VAL A 78 3.653 -3.019 7.352 1.00 0.00 N ATOM 1232 CA VAL A 78 4.485 -4.218 7.030 1.00 0.00 C ATOM 1233 C VAL A 78 5.750 -4.191 7.891 1.00 0.00 C ATOM 1234 O VAL A 78 6.843 -3.989 7.399 1.00 0.00 O ATOM 1235 CB VAL A 78 4.873 -4.198 5.543 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.711 -2.952 5.251 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.699 -5.446 5.218 1.00 0.00 C ATOM 0 H VAL A 78 3.743 -2.240 6.699 1.00 0.00 H new ATOM 0 HA VAL A 78 3.916 -5.125 7.236 1.00 0.00 H new ATOM 0 HB VAL A 78 3.970 -4.184 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.986 -2.938 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.131 -2.060 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.614 -2.969 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.976 -5.435 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.601 -5.455 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.109 -6.338 5.429 1.00 0.00 H new ATOM 1247 N ILE A 79 5.604 -4.384 9.174 1.00 0.00 N ATOM 1248 CA ILE A 79 6.779 -4.359 10.084 1.00 0.00 C ATOM 1249 C ILE A 79 6.272 -4.207 11.530 1.00 0.00 C ATOM 1250 O ILE A 79 5.632 -3.227 11.859 1.00 0.00 O ATOM 1251 CB ILE A 79 7.697 -3.184 9.678 1.00 0.00 C ATOM 1252 CG1 ILE A 79 9.010 -3.745 9.125 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.999 -2.271 10.871 1.00 0.00 C ATOM 1254 CD1 ILE A 79 9.778 -2.640 8.397 1.00 0.00 C ATOM 0 H ILE A 79 4.710 -4.560 9.633 1.00 0.00 H new ATOM 0 HA ILE A 79 7.355 -5.282 10.014 1.00 0.00 H new ATOM 0 HB ILE A 79 7.184 -2.592 8.920 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.615 -4.147 9.937 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.805 -4.569 8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.647 -1.455 10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.067 -1.862 11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.498 -2.845 11.651 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.712 -3.043 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.174 -2.258 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.997 -1.830 9.093 1.00 0.00 H new ATOM 1266 N PRO A 80 6.572 -5.188 12.339 1.00 0.00 N ATOM 1267 CA PRO A 80 6.118 -5.130 13.750 1.00 0.00 C ATOM 1268 C PRO A 80 6.237 -3.705 14.303 1.00 0.00 C ATOM 1269 O PRO A 80 7.272 -3.076 14.207 1.00 0.00 O ATOM 1270 CB PRO A 80 7.059 -6.079 14.494 1.00 0.00 C ATOM 1271 CG PRO A 80 8.331 -6.188 13.632 1.00 0.00 C ATOM 1272 CD PRO A 80 7.934 -5.763 12.208 1.00 0.00 C ATOM 0 HA PRO A 80 5.071 -5.413 13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.294 -5.695 15.487 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.597 -7.057 14.631 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.120 -5.545 14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.718 -7.207 13.639 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.634 -5.030 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.938 -6.614 11.527 1.00 0.00 H new ATOM 1280 N GLU A 81 5.184 -3.195 14.885 1.00 0.00 N ATOM 1281 CA GLU A 81 5.233 -1.814 15.447 1.00 0.00 C ATOM 1282 C GLU A 81 6.372 -1.716 16.464 1.00 0.00 C ATOM 1283 O GLU A 81 6.887 -2.712 16.931 1.00 0.00 O ATOM 1284 CB GLU A 81 3.907 -1.495 16.142 1.00 0.00 C ATOM 1285 CG GLU A 81 2.757 -1.616 15.141 1.00 0.00 C ATOM 1286 CD GLU A 81 1.598 -2.383 15.782 1.00 0.00 C ATOM 1287 OE1 GLU A 81 1.796 -3.539 16.120 1.00 0.00 O ATOM 1288 OE2 GLU A 81 0.535 -1.803 15.922 1.00 0.00 O ATOM 0 H GLU A 81 4.291 -3.676 14.995 1.00 0.00 H new ATOM 0 HA GLU A 81 5.402 -1.102 14.639 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.749 -2.179 16.976 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.936 -0.487 16.557 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.424 -0.625 14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.096 -2.132 14.243 1.00 0.00 H new ATOM 1295 N GLY A 82 6.767 -0.522 16.815 1.00 0.00 N ATOM 1296 CA GLY A 82 7.872 -0.362 17.803 1.00 0.00 C ATOM 1297 C GLY A 82 8.782 0.788 17.372 1.00 0.00 C ATOM 1298 O GLY A 82 9.043 1.705 18.127 1.00 0.00 O ATOM 0 H GLY A 82 6.372 0.349 16.460 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.462 -0.163 18.793 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.446 -1.286 17.875 1.00 0.00 H new ATOM 1302 N GLY A 83 9.269 0.748 16.163 1.00 0.00 N ATOM 1303 CA GLY A 83 10.163 1.838 15.681 1.00 0.00 C ATOM 1304 C GLY A 83 10.831 1.411 14.374 1.00 0.00 C ATOM 1305 O GLY A 83 11.973 1.736 14.116 1.00 0.00 O ATOM 0 H GLY A 83 9.086 0.006 15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.589 2.752 15.527 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.920 2.061 16.433 1.00 0.00 H new ATOM 1309 N SER A 84 10.132 0.686 13.544 1.00 0.00 N ATOM 1310 CA SER A 84 10.737 0.245 12.256 1.00 0.00 C ATOM 1311 C SER A 84 10.062 0.982 11.094 1.00 0.00 C ATOM 1312 O SER A 84 10.560 0.998 9.987 1.00 0.00 O ATOM 1313 CB SER A 84 10.555 -1.265 12.096 1.00 0.00 C ATOM 1314 OG SER A 84 10.756 -1.622 10.735 1.00 0.00 O ATOM 0 H SER A 84 9.171 0.381 13.701 1.00 0.00 H new ATOM 0 HA SER A 84 11.802 0.477 12.254 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.263 -1.797 12.732 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.555 -1.558 12.417 1.00 0.00 H new ATOM 0 HG SER A 84 11.258 -2.463 10.688 1.00 0.00 H new ATOM 1320 N GLN A 85 8.943 1.610 11.344 1.00 0.00 N ATOM 1321 CA GLN A 85 8.248 2.367 10.260 1.00 0.00 C ATOM 1322 C GLN A 85 7.826 1.427 9.119 1.00 0.00 C ATOM 1323 O GLN A 85 8.660 0.835 8.464 1.00 0.00 O ATOM 1324 CB GLN A 85 9.193 3.435 9.704 1.00 0.00 C ATOM 1325 CG GLN A 85 9.326 4.583 10.708 1.00 0.00 C ATOM 1326 CD GLN A 85 10.157 5.708 10.087 1.00 0.00 C ATOM 1327 OE1 GLN A 85 9.632 6.549 9.384 1.00 0.00 O ATOM 1328 NE2 GLN A 85 11.441 5.760 10.318 1.00 0.00 N ATOM 0 H GLN A 85 8.480 1.632 12.252 1.00 0.00 H new ATOM 0 HA GLN A 85 7.355 2.831 10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.172 2.999 9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.812 3.812 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.339 4.955 10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.801 4.228 11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.882 5.054 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.003 6.506 9.909 1.00 0.00 H new ATOM 1337 N PRO A 86 6.534 1.349 8.907 1.00 0.00 N ATOM 1338 CA PRO A 86 6.027 0.494 7.807 1.00 0.00 C ATOM 1339 C PRO A 86 5.172 1.339 6.861 1.00 0.00 C ATOM 1340 O PRO A 86 5.262 2.550 6.850 1.00 0.00 O ATOM 1341 CB PRO A 86 5.174 -0.565 8.500 1.00 0.00 C ATOM 1342 CG PRO A 86 4.750 0.041 9.851 1.00 0.00 C ATOM 1343 CD PRO A 86 5.743 1.177 10.153 1.00 0.00 C ATOM 0 HA PRO A 86 6.824 0.047 7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.302 -0.819 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.739 -1.485 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.730 0.421 9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.772 -0.713 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.220 2.096 10.417 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.387 0.923 10.995 1.00 0.00 H new ATOM 1351 N LEU A 87 4.343 0.720 6.065 1.00 0.00 N ATOM 1352 CA LEU A 87 3.498 1.523 5.130 1.00 0.00 C ATOM 1353 C LEU A 87 2.124 1.799 5.737 1.00 0.00 C ATOM 1354 O LEU A 87 1.323 0.901 5.916 1.00 0.00 O ATOM 1355 CB LEU A 87 3.270 0.793 3.796 1.00 0.00 C ATOM 1356 CG LEU A 87 3.914 -0.589 3.781 1.00 0.00 C ATOM 1357 CD1 LEU A 87 2.928 -1.606 4.355 1.00 0.00 C ATOM 1358 CD2 LEU A 87 4.230 -0.960 2.331 1.00 0.00 C ATOM 0 H LEU A 87 4.214 -0.291 6.020 1.00 0.00 H new ATOM 0 HA LEU A 87 4.038 2.454 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.200 0.696 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.678 1.391 2.981 1.00 0.00 H new ATOM 0 HG LEU A 87 4.826 -0.587 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.382 -2.597 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.676 -1.330 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.022 -1.617 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.692 -1.947 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.308 -0.973 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.915 -0.225 1.909 1.00 0.00 H new ATOM 1370 N SER A 88 1.811 3.040 5.990 1.00 0.00 N ATOM 1371 CA SER A 88 0.457 3.361 6.505 1.00 0.00 C ATOM 1372 C SER A 88 -0.451 3.336 5.282 1.00 0.00 C ATOM 1373 O SER A 88 -0.274 4.107 4.361 1.00 0.00 O ATOM 1374 CB SER A 88 0.445 4.749 7.147 1.00 0.00 C ATOM 1375 OG SER A 88 0.985 4.664 8.459 1.00 0.00 O ATOM 0 H SER A 88 2.432 3.839 5.862 1.00 0.00 H new ATOM 0 HA SER A 88 0.134 2.654 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.029 5.446 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.573 5.136 7.185 1.00 0.00 H new ATOM 0 HG SER A 88 0.980 5.552 8.873 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.353 2.398 5.234 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.218 2.231 4.030 1.00 0.00 C ATOM 1383 C VAL A 89 -3.436 3.170 4.025 1.00 0.00 C ATOM 1384 O VAL A 89 -3.834 3.723 5.031 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.660 0.767 3.994 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -3.888 0.590 3.103 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -1.504 -0.071 3.442 1.00 0.00 C ATOM 0 H VAL A 89 -1.531 1.731 5.985 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.647 2.498 3.141 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.923 0.445 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.183 -0.459 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.709 1.194 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.650 0.909 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.799 -1.120 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.256 0.269 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.633 0.040 4.088 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.019 3.334 2.859 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.215 4.215 2.692 1.00 0.00 C ATOM 1399 C ARG A 90 -5.364 4.558 1.198 1.00 0.00 C ATOM 1400 O ARG A 90 -4.512 5.202 0.618 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.024 5.501 3.499 1.00 0.00 C ATOM 1402 CG ARG A 90 -3.574 5.975 3.377 1.00 0.00 C ATOM 1403 CD ARG A 90 -3.545 7.498 3.218 1.00 0.00 C ATOM 1404 NE ARG A 90 -2.995 8.116 4.457 1.00 0.00 N ATOM 1405 CZ ARG A 90 -2.716 9.390 4.484 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -1.690 9.848 3.823 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -3.465 10.206 5.175 1.00 0.00 N ATOM 0 H ARG A 90 -3.707 2.883 1.999 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.109 3.704 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.701 6.274 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.273 5.325 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.009 5.680 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.096 5.500 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.933 7.773 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.550 7.874 3.027 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.836 7.542 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.104 9.210 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.473 10.844 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.267 9.847 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.248 11.202 5.197 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.428 4.121 0.565 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.605 4.416 -0.894 1.00 0.00 C ATOM 1423 C LEU A 91 -6.253 5.878 -1.176 1.00 0.00 C ATOM 1424 O LEU A 91 -6.273 6.715 -0.296 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.053 4.137 -1.319 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.054 3.242 -2.566 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -8.572 1.848 -2.202 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -8.959 3.842 -3.646 1.00 0.00 C ATOM 0 H LEU A 91 -7.177 3.576 0.992 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.939 3.771 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.594 3.650 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.569 5.074 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.034 3.171 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.571 1.216 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.927 1.407 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.588 1.927 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.952 3.198 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.977 3.923 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.594 4.832 -3.918 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.918 6.184 -2.401 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.550 7.585 -2.754 1.00 0.00 C ATOM 1442 C ALA A 92 -6.751 8.510 -2.537 1.00 0.00 C ATOM 1443 O ALA A 92 -7.856 8.066 -2.297 1.00 0.00 O ATOM 1444 CB ALA A 92 -5.127 7.639 -4.224 1.00 0.00 C ATOM 0 H ALA A 92 -5.883 5.521 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.727 7.913 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.857 8.662 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.269 6.985 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.954 7.309 -4.853 1.00 0.00 H new ATOM 1450 N GLU A 93 -6.538 9.795 -2.625 1.00 0.00 N ATOM 1451 CA GLU A 93 -7.659 10.754 -2.429 1.00 0.00 C ATOM 1452 C GLU A 93 -7.517 11.904 -3.425 1.00 0.00 C ATOM 1453 O GLU A 93 -6.488 12.546 -3.503 1.00 0.00 O ATOM 1454 CB GLU A 93 -7.618 11.302 -1.001 1.00 0.00 C ATOM 1455 CG GLU A 93 -8.366 10.348 -0.069 1.00 0.00 C ATOM 1456 CD GLU A 93 -9.846 10.319 -0.452 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -10.442 11.382 -0.514 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -10.360 9.235 -0.676 1.00 0.00 O ATOM 0 H GLU A 93 -5.633 10.222 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.610 10.246 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.585 11.414 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.072 12.292 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.941 9.347 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.253 10.671 0.966 1.00 0.00 H new ATOM 1465 N GLU A 94 -8.538 12.165 -4.194 1.00 0.00 N ATOM 1466 CA GLU A 94 -8.457 13.266 -5.191 1.00 0.00 C ATOM 1467 C GLU A 94 -7.503 12.861 -6.317 1.00 0.00 C ATOM 1468 O GLU A 94 -7.185 13.647 -7.187 1.00 0.00 O ATOM 1469 CB GLU A 94 -7.935 14.535 -4.514 1.00 0.00 C ATOM 1470 CG GLU A 94 -8.439 15.760 -5.278 1.00 0.00 C ATOM 1471 CD GLU A 94 -9.330 16.602 -4.364 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -9.783 16.075 -3.362 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -9.546 17.760 -4.684 1.00 0.00 O ATOM 0 H GLU A 94 -9.425 11.662 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.448 13.457 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.273 14.574 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.845 14.528 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.596 16.355 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.998 15.447 -6.160 1.00 0.00 H new ATOM 1480 N HIS A 95 -7.043 11.640 -6.306 1.00 0.00 N ATOM 1481 CA HIS A 95 -6.108 11.184 -7.373 1.00 0.00 C ATOM 1482 C HIS A 95 -6.442 9.741 -7.761 1.00 0.00 C ATOM 1483 O HIS A 95 -7.452 9.200 -7.358 1.00 0.00 O ATOM 1484 CB HIS A 95 -4.670 11.257 -6.851 1.00 0.00 C ATOM 1485 CG HIS A 95 -3.770 11.800 -7.927 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -2.389 11.767 -7.820 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -4.039 12.392 -9.136 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -1.883 12.322 -8.936 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -2.845 12.722 -9.772 1.00 0.00 N ATOM 0 H HIS A 95 -7.275 10.938 -5.603 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.210 11.825 -8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.625 11.895 -5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.332 10.267 -6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.027 12.574 -9.533 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.827 12.431 -9.132 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.730 13.172 -10.680 1.00 0.00 H new ATOM 1497 N GLY A 96 -5.602 9.113 -8.539 1.00 0.00 N ATOM 1498 CA GLY A 96 -5.878 7.705 -8.948 1.00 0.00 C ATOM 1499 C GLY A 96 -4.618 7.091 -9.564 1.00 0.00 C ATOM 1500 O GLY A 96 -3.957 7.698 -10.384 1.00 0.00 O ATOM 0 H GLY A 96 -4.739 9.512 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.194 7.120 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.696 7.679 -9.668 1.00 0.00 H new ATOM 1504 N LYS A 97 -4.281 5.889 -9.178 1.00 0.00 N ATOM 1505 CA LYS A 97 -3.065 5.237 -9.746 1.00 0.00 C ATOM 1506 C LYS A 97 -3.451 3.898 -10.376 1.00 0.00 C ATOM 1507 O LYS A 97 -4.571 3.465 -10.160 1.00 0.00 O ATOM 1508 CB LYS A 97 -2.037 5.000 -8.638 1.00 0.00 C ATOM 1509 CG LYS A 97 -0.719 5.681 -9.017 1.00 0.00 C ATOM 1510 CD LYS A 97 -0.820 7.182 -8.738 1.00 0.00 C ATOM 1511 CE LYS A 97 0.412 7.893 -9.301 1.00 0.00 C ATOM 1512 NZ LYS A 97 1.639 7.339 -8.661 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.618 3.326 -11.060 1.00 0.00 O ATOM 0 H LYS A 97 -4.794 5.331 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.632 5.888 -10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.406 5.397 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.879 3.931 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.103 5.249 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.499 5.510 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.725 7.586 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.895 7.358 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.460 7.760 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.344 8.965 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.455 7.939 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.513 7.318 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.807 6.374 -9.009 1.00 0.00 H new