USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 734 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 Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.123) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.0056) USER MOD Single : A 47 SER OG : rot 15:sc= -1.92! USER MOD Single : A 48 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-8.1!) USER MOD Single : A 54 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.94) USER MOD Single : A 55 SER OG : rot 180:sc= -0.748 USER MOD Single : A 58 GLN : amide:sc= -2.35 K(o=-2.3,f=-0.83) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -50:sc= 0.23 USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= -1.47! (180deg=-3.52!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.58! C(o=-1.6!,f=-2.4!) USER MOD Single : A 69 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.73) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.25) USER MOD Single : A 75 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 84 GLN : amide:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : A 89 SER OG : rot 170:sc= -0.323 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.68) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.302 -3.265 -10.900 1.00 0.00 N ATOM 164 CA LEU A 15 10.003 -2.779 -10.449 1.00 0.00 C ATOM 165 C LEU A 15 8.926 -3.841 -10.646 1.00 0.00 C ATOM 166 O LEU A 15 8.851 -4.477 -11.697 1.00 0.00 O ATOM 167 CB LEU A 15 9.622 -1.504 -11.205 1.00 0.00 C ATOM 168 CG LEU A 15 10.110 -0.191 -10.593 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.901 0.961 -11.564 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.396 0.083 -9.277 1.00 0.00 C ATOM 0 HA LEU A 15 10.076 -2.555 -9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.013 -1.576 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.536 -1.463 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 15 11.178 -0.281 -10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.254 1.887 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.459 0.770 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.840 1.053 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.756 1.022 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.323 0.153 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.597 -0.729 -8.578 1.00 0.00 H new ATOM 182 N ALA A 16 8.091 -4.026 -9.628 1.00 0.00 N ATOM 183 CA ALA A 16 7.015 -5.007 -9.691 1.00 0.00 C ATOM 184 C ALA A 16 5.651 -4.334 -9.582 1.00 0.00 C ATOM 185 O ALA A 16 5.523 -3.257 -8.999 1.00 0.00 O ATOM 186 CB ALA A 16 7.183 -6.045 -8.591 1.00 0.00 C ATOM 0 H ALA A 16 8.140 -3.509 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 16 7.068 -5.506 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.373 -6.772 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.138 -6.556 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.159 -5.552 -7.619 1.00 0.00 H new ATOM 192 N THR A 17 4.633 -4.976 -10.147 1.00 0.00 N ATOM 193 CA THR A 17 3.279 -4.438 -10.115 1.00 0.00 C ATOM 194 C THR A 17 2.588 -4.766 -8.796 1.00 0.00 C ATOM 195 O THR A 17 2.240 -5.917 -8.535 1.00 0.00 O ATOM 196 CB THR A 17 2.429 -4.987 -11.277 1.00 0.00 C ATOM 197 OG1 THR A 17 3.191 -4.976 -12.489 1.00 0.00 O ATOM 198 CG2 THR A 17 1.164 -4.161 -11.459 1.00 0.00 C ATOM 0 H THR A 17 4.721 -5.869 -10.632 1.00 0.00 H new ATOM 0 HA THR A 17 3.366 -3.356 -10.217 1.00 0.00 H new ATOM 0 HB THR A 17 2.144 -6.011 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.644 -5.328 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.580 -4.567 -12.285 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.572 -4.196 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.433 -3.128 -11.678 1.00 0.00 H new ATOM 206 N VAL A 18 2.392 -3.746 -7.967 1.00 0.00 N ATOM 207 CA VAL A 18 1.740 -3.925 -6.675 1.00 0.00 C ATOM 208 C VAL A 18 0.374 -3.248 -6.649 1.00 0.00 C ATOM 209 O VAL A 18 0.277 -2.021 -6.642 1.00 0.00 O ATOM 210 CB VAL A 18 2.602 -3.362 -5.529 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.905 -3.558 -4.191 1.00 0.00 C ATOM 212 CG2 VAL A 18 3.976 -4.015 -5.526 1.00 0.00 C ATOM 0 H VAL A 18 2.675 -2.787 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 18 1.612 -4.998 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 18 2.735 -2.292 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.529 -3.154 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.947 -3.039 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.740 -4.622 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.572 -3.606 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.867 -5.091 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.475 -3.817 -6.475 1.00 0.00 H new ATOM 222 N LYS A 19 -0.680 -4.056 -6.635 1.00 0.00 N ATOM 223 CA LYS A 19 -2.042 -3.537 -6.608 1.00 0.00 C ATOM 224 C LYS A 19 -2.426 -3.089 -5.201 1.00 0.00 C ATOM 225 O LYS A 19 -2.366 -3.870 -4.252 1.00 0.00 O ATOM 226 CB LYS A 19 -3.025 -4.601 -7.101 1.00 0.00 C ATOM 227 CG LYS A 19 -2.923 -4.881 -8.591 1.00 0.00 C ATOM 228 CD LYS A 19 -3.939 -5.919 -9.035 1.00 0.00 C ATOM 229 CE LYS A 19 -3.744 -6.302 -10.494 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.863 -7.143 -11.001 1.00 0.00 N ATOM 0 H LYS A 19 -0.617 -5.074 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.088 -2.673 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.850 -5.527 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.041 -4.281 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.079 -3.957 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.918 -5.230 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.850 -6.807 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.946 -5.528 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.665 -5.399 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.804 -6.843 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.693 -7.383 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.922 -8.017 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.757 -6.618 -10.919 1.00 0.00 H new ATOM 244 N VAL A 20 -2.822 -1.826 -5.075 1.00 0.00 N ATOM 245 CA VAL A 20 -3.218 -1.274 -3.785 1.00 0.00 C ATOM 246 C VAL A 20 -4.736 -1.211 -3.657 1.00 0.00 C ATOM 247 O VAL A 20 -5.418 -0.641 -4.508 1.00 0.00 O ATOM 248 CB VAL A 20 -2.637 0.137 -3.576 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.206 0.767 -2.314 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.118 0.083 -3.515 1.00 0.00 C ATOM 0 H VAL A 20 -2.877 -1.166 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.819 -1.940 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.923 0.758 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.784 1.763 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.290 0.840 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.952 0.149 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.724 1.088 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.810 -0.553 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.731 -0.325 -4.449 1.00 0.00 H new ATOM 260 N VAL A 21 -5.259 -1.800 -2.586 1.00 0.00 N ATOM 261 CA VAL A 21 -6.697 -1.810 -2.345 1.00 0.00 C ATOM 262 C VAL A 21 -7.046 -1.038 -1.078 1.00 0.00 C ATOM 263 O VAL A 21 -6.404 -1.204 -0.040 1.00 0.00 O ATOM 264 CB VAL A 21 -7.236 -3.248 -2.223 1.00 0.00 C ATOM 265 CG1 VAL A 21 -8.744 -3.238 -2.024 1.00 0.00 C ATOM 266 CG2 VAL A 21 -6.857 -4.065 -3.449 1.00 0.00 C ATOM 0 H VAL A 21 -4.708 -2.276 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.166 -1.327 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.781 -3.715 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.107 -4.262 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.987 -2.691 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.220 -2.753 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.246 -5.078 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.282 -3.602 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.771 -4.101 -3.541 1.00 0.00 H new ATOM 276 N LEU A 22 -8.068 -0.194 -1.169 1.00 0.00 N ATOM 277 CA LEU A 22 -8.505 0.604 -0.029 1.00 0.00 C ATOM 278 C LEU A 22 -9.539 -0.151 0.801 1.00 0.00 C ATOM 279 O LEU A 22 -10.543 -0.630 0.273 1.00 0.00 O ATOM 280 CB LEU A 22 -9.091 1.934 -0.507 1.00 0.00 C ATOM 281 CG LEU A 22 -8.079 2.998 -0.933 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.767 4.103 -1.720 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.364 3.571 0.281 1.00 0.00 C ATOM 0 H LEU A 22 -8.609 -0.045 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.636 0.801 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.754 1.734 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.706 2.346 0.293 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.336 2.528 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.032 4.852 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.232 3.680 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.531 4.570 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.648 4.327 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.093 4.025 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.838 2.772 0.804 1.00 0.00 H new ATOM 295 N ILE A 23 -9.287 -0.251 2.101 1.00 0.00 N ATOM 296 CA ILE A 23 -10.198 -0.945 3.004 1.00 0.00 C ATOM 297 C ILE A 23 -11.473 -0.139 3.226 1.00 0.00 C ATOM 298 O ILE A 23 -12.582 -0.596 2.950 1.00 0.00 O ATOM 299 CB ILE A 23 -9.536 -1.223 4.367 1.00 0.00 C ATOM 300 CG1 ILE A 23 -8.851 -2.591 4.356 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.569 -1.151 5.481 1.00 0.00 C ATOM 302 CD1 ILE A 23 -9.798 -3.739 4.089 1.00 0.00 C ATOM 0 H ILE A 23 -8.460 0.139 2.553 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.449 -1.894 2.530 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.779 -0.460 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.070 -2.591 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.361 -2.751 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.087 -1.350 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.016 -0.157 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.346 -1.895 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.243 -4.677 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.565 -3.765 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.269 -3.603 3.116 1.00 0.00 H new ATOM 314 N PRO A 24 -11.313 1.093 3.733 1.00 0.00 N ATOM 315 CA PRO A 24 -12.441 1.991 4.001 1.00 0.00 C ATOM 316 C PRO A 24 -13.095 2.497 2.720 1.00 0.00 C ATOM 317 O PRO A 24 -14.285 2.813 2.701 1.00 0.00 O ATOM 318 CB PRO A 24 -11.797 3.149 4.767 1.00 0.00 C ATOM 319 CG PRO A 24 -10.371 3.144 4.335 1.00 0.00 C ATOM 320 CD PRO A 24 -10.020 1.703 4.085 1.00 0.00 C ATOM 0 HA PRO A 24 -13.240 1.491 4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.279 4.097 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.885 3.008 5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.234 3.741 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.729 3.575 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.294 1.600 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.583 1.237 4.968 1.00 0.00 H new ATOM 328 N VAL A 25 -12.310 2.572 1.649 1.00 0.00 N ATOM 329 CA VAL A 25 -12.814 3.039 0.363 1.00 0.00 C ATOM 330 C VAL A 25 -13.249 1.870 -0.513 1.00 0.00 C ATOM 331 O VAL A 25 -14.381 1.829 -0.994 1.00 0.00 O ATOM 332 CB VAL A 25 -11.752 3.863 -0.389 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.409 4.754 -1.433 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.929 4.690 0.587 1.00 0.00 C ATOM 0 H VAL A 25 -11.323 2.315 1.647 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.676 3.674 0.571 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.080 3.175 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.644 5.329 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.950 4.136 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.104 5.436 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.184 5.266 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.585 5.370 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.428 4.028 1.293 1.00 0.00 H new ATOM 344 N GLY A 26 -12.342 0.919 -0.716 1.00 0.00 N ATOM 345 CA GLY A 26 -12.652 -0.238 -1.535 1.00 0.00 C ATOM 346 C GLY A 26 -12.178 -0.080 -2.966 1.00 0.00 C ATOM 347 O GLY A 26 -12.317 -0.995 -3.777 1.00 0.00 O ATOM 0 H GLY A 26 -11.399 0.929 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.189 -1.123 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.729 -0.405 -1.529 1.00 0.00 H new ATOM 351 N GLN A 27 -11.617 1.084 -3.277 1.00 0.00 N ATOM 352 CA GLN A 27 -11.124 1.360 -4.621 1.00 0.00 C ATOM 353 C GLN A 27 -9.788 0.664 -4.863 1.00 0.00 C ATOM 354 O GLN A 27 -9.054 0.366 -3.922 1.00 0.00 O ATOM 355 CB GLN A 27 -10.974 2.867 -4.833 1.00 0.00 C ATOM 356 CG GLN A 27 -10.839 3.265 -6.294 1.00 0.00 C ATOM 357 CD GLN A 27 -10.615 4.753 -6.475 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.562 5.516 -6.669 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.357 5.175 -6.414 1.00 0.00 N ATOM 0 H GLN A 27 -11.493 1.851 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.850 0.971 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.839 3.374 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.098 3.217 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.007 2.719 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.740 2.969 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.603 4.508 -6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.145 6.166 -6.530 1.00 0.00 H new ATOM 368 N GLU A 28 -9.480 0.410 -6.131 1.00 0.00 N ATOM 369 CA GLU A 28 -8.233 -0.251 -6.496 1.00 0.00 C ATOM 370 C GLU A 28 -7.304 0.708 -7.235 1.00 0.00 C ATOM 371 O GLU A 28 -7.727 1.417 -8.148 1.00 0.00 O ATOM 372 CB GLU A 28 -8.515 -1.477 -7.367 1.00 0.00 C ATOM 373 CG GLU A 28 -8.985 -2.689 -6.579 1.00 0.00 C ATOM 374 CD GLU A 28 -9.092 -3.936 -7.435 1.00 0.00 C ATOM 375 OE1 GLU A 28 -8.051 -4.390 -7.953 1.00 0.00 O ATOM 376 OE2 GLU A 28 -10.217 -4.456 -7.587 1.00 0.00 O ATOM 0 H GLU A 28 -10.077 0.652 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.740 -0.572 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.272 -1.220 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.610 -1.739 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.292 -2.875 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.956 -2.474 -6.134 1.00 0.00 H new ATOM 383 N ILE A 29 -6.038 0.724 -6.832 1.00 0.00 N ATOM 384 CA ILE A 29 -5.050 1.595 -7.456 1.00 0.00 C ATOM 385 C ILE A 29 -3.760 0.838 -7.755 1.00 0.00 C ATOM 386 O ILE A 29 -3.176 0.211 -6.870 1.00 0.00 O ATOM 387 CB ILE A 29 -4.725 2.807 -6.563 1.00 0.00 C ATOM 388 CG1 ILE A 29 -6.004 3.362 -5.932 1.00 0.00 C ATOM 389 CG2 ILE A 29 -4.015 3.884 -7.370 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.757 4.498 -4.965 1.00 0.00 C ATOM 0 H ILE A 29 -5.673 0.144 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.486 1.948 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.060 2.482 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.669 3.707 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.521 2.557 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.792 4.734 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.086 3.482 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.658 4.208 -8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.707 4.841 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.117 4.152 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.268 5.321 -5.487 1.00 0.00 H new ATOM 402 N VAL A 30 -3.319 0.902 -9.007 1.00 0.00 N ATOM 403 CA VAL A 30 -2.097 0.225 -9.423 1.00 0.00 C ATOM 404 C VAL A 30 -0.925 1.198 -9.487 1.00 0.00 C ATOM 405 O VAL A 30 -0.925 2.134 -10.286 1.00 0.00 O ATOM 406 CB VAL A 30 -2.268 -0.447 -10.798 1.00 0.00 C ATOM 407 CG1 VAL A 30 -0.983 -1.148 -11.213 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.433 -1.424 -10.772 1.00 0.00 C ATOM 0 H VAL A 30 -3.790 1.416 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.889 -0.541 -8.676 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.487 0.325 -11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.123 -1.617 -12.187 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.174 -0.420 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.730 -1.910 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.539 -1.890 -11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.246 -2.193 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.350 -0.890 -10.523 1.00 0.00 H new ATOM 418 N ILE A 31 0.073 0.969 -8.640 1.00 0.00 N ATOM 419 CA ILE A 31 1.253 1.824 -8.601 1.00 0.00 C ATOM 420 C ILE A 31 2.533 0.999 -8.676 1.00 0.00 C ATOM 421 O ILE A 31 2.695 -0.005 -7.982 1.00 0.00 O ATOM 422 CB ILE A 31 1.284 2.684 -7.324 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.512 3.596 -7.326 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.278 1.796 -6.088 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.260 4.947 -7.957 1.00 0.00 C ATOM 0 H ILE A 31 0.088 0.199 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 31 1.195 2.480 -9.469 1.00 0.00 H new ATOM 0 HB ILE A 31 0.392 3.309 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.849 3.741 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.322 3.100 -7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.300 2.418 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.375 1.185 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.154 1.148 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.174 5.540 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.952 4.813 -8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.472 5.463 -7.409 1.00 0.00 H new ATOM 437 N PRO A 32 3.466 1.431 -9.537 1.00 0.00 N ATOM 438 CA PRO A 32 4.750 0.748 -9.722 1.00 0.00 C ATOM 439 C PRO A 32 5.663 0.892 -8.508 1.00 0.00 C ATOM 440 O PRO A 32 6.125 1.988 -8.194 1.00 0.00 O ATOM 441 CB PRO A 32 5.358 1.457 -10.935 1.00 0.00 C ATOM 442 CG PRO A 32 4.730 2.808 -10.938 1.00 0.00 C ATOM 443 CD PRO A 32 3.340 2.620 -10.397 1.00 0.00 C ATOM 0 HA PRO A 32 4.624 -0.326 -9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.443 1.525 -10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.143 0.918 -11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.298 3.504 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.704 3.224 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.008 3.491 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.616 2.463 -11.196 1.00 0.00 H new ATOM 451 N PHE A 33 5.919 -0.222 -7.831 1.00 0.00 N ATOM 452 CA PHE A 33 6.776 -0.220 -6.652 1.00 0.00 C ATOM 453 C PHE A 33 7.897 -1.246 -6.792 1.00 0.00 C ATOM 454 O PHE A 33 7.777 -2.216 -7.542 1.00 0.00 O ATOM 455 CB PHE A 33 5.953 -0.516 -5.396 1.00 0.00 C ATOM 456 CG PHE A 33 6.626 -0.088 -4.123 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.193 1.172 -4.014 1.00 0.00 C ATOM 458 CD2 PHE A 33 6.693 -0.945 -3.037 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.813 1.569 -2.844 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.311 -0.553 -1.865 1.00 0.00 C ATOM 461 CZ PHE A 33 7.873 0.705 -1.769 1.00 0.00 C ATOM 0 H PHE A 33 5.545 -1.138 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 33 7.223 0.770 -6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.990 -0.012 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.750 -1.586 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.150 1.851 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.257 -1.931 -3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.250 2.554 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.355 -1.230 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.359 1.012 -0.855 1.00 0.00 H new ATOM 471 N LYS A 34 8.987 -1.026 -6.065 1.00 0.00 N ATOM 472 CA LYS A 34 10.130 -1.930 -6.107 1.00 0.00 C ATOM 473 C LYS A 34 9.983 -3.040 -5.071 1.00 0.00 C ATOM 474 O LYS A 34 9.194 -2.927 -4.133 1.00 0.00 O ATOM 475 CB LYS A 34 11.428 -1.156 -5.860 1.00 0.00 C ATOM 476 CG LYS A 34 11.809 -0.230 -7.002 1.00 0.00 C ATOM 477 CD LYS A 34 13.269 0.186 -6.918 1.00 0.00 C ATOM 478 CE LYS A 34 14.191 -0.917 -7.415 1.00 0.00 C ATOM 479 NZ LYS A 34 15.530 -0.388 -7.799 1.00 0.00 N ATOM 0 H LYS A 34 9.103 -0.229 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 34 10.167 -2.383 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.324 -0.570 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.238 -1.866 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.626 -0.729 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.175 0.656 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.426 1.088 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.519 0.434 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.308 -1.671 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.736 -1.412 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.130 -1.170 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.421 0.313 -8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.975 0.062 -6.974 1.00 0.00 H new ATOM 493 N VAL A 35 10.749 -4.112 -5.247 1.00 0.00 N ATOM 494 CA VAL A 35 10.706 -5.242 -4.326 1.00 0.00 C ATOM 495 C VAL A 35 11.855 -5.179 -3.325 1.00 0.00 C ATOM 496 O VAL A 35 11.725 -5.628 -2.186 1.00 0.00 O ATOM 497 CB VAL A 35 10.769 -6.583 -5.080 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.622 -6.693 -6.072 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.110 -6.737 -5.783 1.00 0.00 C ATOM 0 H VAL A 35 11.407 -4.222 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 35 9.758 -5.179 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 35 10.669 -7.392 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.684 -7.647 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.673 -6.632 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.686 -5.879 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.137 -7.690 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.242 -5.924 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.913 -6.708 -5.046 1.00 0.00 H new ATOM 509 N ASP A 36 12.979 -4.619 -3.758 1.00 0.00 N ATOM 510 CA ASP A 36 14.152 -4.496 -2.900 1.00 0.00 C ATOM 511 C ASP A 36 14.139 -3.167 -2.150 1.00 0.00 C ATOM 512 O ASP A 36 15.187 -2.649 -1.764 1.00 0.00 O ATOM 513 CB ASP A 36 15.432 -4.616 -3.728 1.00 0.00 C ATOM 514 CG ASP A 36 15.271 -5.551 -4.910 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.251 -6.781 -4.695 1.00 0.00 O ATOM 516 OD2 ASP A 36 15.163 -5.053 -6.050 1.00 0.00 O ATOM 0 H ASP A 36 13.103 -4.243 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 36 14.124 -5.305 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.723 -3.629 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.241 -4.975 -3.092 1.00 0.00 H new ATOM 521 N THR A 37 12.945 -2.619 -1.947 1.00 0.00 N ATOM 522 CA THR A 37 12.795 -1.350 -1.246 1.00 0.00 C ATOM 523 C THR A 37 11.746 -1.451 -0.145 1.00 0.00 C ATOM 524 O THR A 37 10.690 -2.056 -0.334 1.00 0.00 O ATOM 525 CB THR A 37 12.402 -0.217 -2.212 1.00 0.00 C ATOM 526 OG1 THR A 37 13.527 0.155 -3.015 1.00 0.00 O ATOM 527 CG2 THR A 37 11.895 0.996 -1.447 1.00 0.00 C ATOM 0 H THR A 37 12.067 -3.035 -2.258 1.00 0.00 H new ATOM 0 HA THR A 37 13.763 -1.118 -0.802 1.00 0.00 H new ATOM 0 HB THR A 37 11.601 -0.581 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.268 0.875 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.624 1.783 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.020 0.716 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.678 1.359 -0.781 1.00 0.00 H new ATOM 535 N ILE A 38 12.042 -0.854 1.005 1.00 0.00 N ATOM 536 CA ILE A 38 11.122 -0.876 2.135 1.00 0.00 C ATOM 537 C ILE A 38 9.760 -0.311 1.747 1.00 0.00 C ATOM 538 O ILE A 38 9.659 0.546 0.868 1.00 0.00 O ATOM 539 CB ILE A 38 11.676 -0.074 3.328 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.131 1.314 2.870 1.00 0.00 C ATOM 541 CG2 ILE A 38 12.827 -0.825 3.982 1.00 0.00 C ATOM 542 CD1 ILE A 38 12.501 2.235 4.011 1.00 0.00 C ATOM 0 H ILE A 38 12.911 -0.349 1.178 1.00 0.00 H new ATOM 0 HA ILE A 38 11.010 -1.920 2.429 1.00 0.00 H new ATOM 0 HB ILE A 38 10.882 0.049 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.990 1.206 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.334 1.774 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.208 -0.246 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.474 -1.793 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.624 -0.975 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.814 3.200 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.637 2.373 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.319 1.796 4.582 1.00 0.00 H new ATOM 554 N LEU A 39 8.714 -0.796 2.407 1.00 0.00 N ATOM 555 CA LEU A 39 7.357 -0.339 2.133 1.00 0.00 C ATOM 556 C LEU A 39 7.192 1.132 2.503 1.00 0.00 C ATOM 557 O LEU A 39 6.288 1.809 2.014 1.00 0.00 O ATOM 558 CB LEU A 39 6.345 -1.187 2.906 1.00 0.00 C ATOM 559 CG LEU A 39 6.175 -2.630 2.428 1.00 0.00 C ATOM 560 CD1 LEU A 39 5.730 -3.523 3.575 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.179 -2.697 1.279 1.00 0.00 C ATOM 0 H LEU A 39 8.780 -1.506 3.136 1.00 0.00 H new ATOM 0 HA LEU A 39 7.173 -0.449 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.642 -1.205 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.375 -0.693 2.858 1.00 0.00 H new ATOM 0 HG LEU A 39 7.139 -2.990 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.614 -4.546 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.479 -3.499 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.777 -3.166 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.070 -3.731 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.213 -2.319 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.540 -2.090 0.449 1.00 0.00 H new ATOM 573 N LYS A 40 8.074 1.621 3.369 1.00 0.00 N ATOM 574 CA LYS A 40 8.030 3.012 3.803 1.00 0.00 C ATOM 575 C LYS A 40 7.922 3.952 2.607 1.00 0.00 C ATOM 576 O LYS A 40 7.068 4.839 2.577 1.00 0.00 O ATOM 577 CB LYS A 40 9.277 3.352 4.622 1.00 0.00 C ATOM 578 CG LYS A 40 9.050 4.445 5.652 1.00 0.00 C ATOM 579 CD LYS A 40 10.363 5.036 6.137 1.00 0.00 C ATOM 580 CE LYS A 40 10.139 6.071 7.228 1.00 0.00 C ATOM 581 NZ LYS A 40 9.346 7.232 6.736 1.00 0.00 N ATOM 0 H LYS A 40 8.828 1.074 3.784 1.00 0.00 H new ATOM 0 HA LYS A 40 7.146 3.144 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.624 2.452 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.073 3.662 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.434 5.233 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.498 4.039 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.004 4.240 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.887 5.496 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.622 5.607 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.102 6.420 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.358 7.988 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.761 7.586 5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.365 6.934 6.564 1.00 0.00 H new ATOM 595 N TYR A 41 8.791 3.751 1.623 1.00 0.00 N ATOM 596 CA TYR A 41 8.793 4.582 0.424 1.00 0.00 C ATOM 597 C TYR A 41 7.381 4.748 -0.127 1.00 0.00 C ATOM 598 O TYR A 41 6.893 5.867 -0.292 1.00 0.00 O ATOM 599 CB TYR A 41 9.701 3.970 -0.644 1.00 0.00 C ATOM 600 CG TYR A 41 11.145 4.403 -0.533 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.879 4.153 0.620 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.776 5.062 -1.581 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.199 4.547 0.726 1.00 0.00 C ATOM 604 CE2 TYR A 41 13.095 5.459 -1.485 1.00 0.00 C ATOM 605 CZ TYR A 41 13.802 5.200 -0.329 1.00 0.00 C ATOM 606 OH TYR A 41 15.117 5.594 -0.228 1.00 0.00 O ATOM 0 H TYR A 41 9.503 3.021 1.631 1.00 0.00 H new ATOM 0 HA TYR A 41 9.175 5.566 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.650 2.884 -0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.324 4.243 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.410 3.642 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.225 5.267 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.755 4.345 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.570 5.969 -2.310 1.00 0.00 H new ATOM 0 HH TYR A 41 15.390 6.039 -1.057 1.00 0.00 H new ATOM 616 N LEU A 42 6.727 3.626 -0.409 1.00 0.00 N ATOM 617 CA LEU A 42 5.369 3.645 -0.941 1.00 0.00 C ATOM 618 C LEU A 42 4.404 4.282 0.053 1.00 0.00 C ATOM 619 O LEU A 42 3.435 4.935 -0.336 1.00 0.00 O ATOM 620 CB LEU A 42 4.911 2.224 -1.275 1.00 0.00 C ATOM 621 CG LEU A 42 3.648 2.109 -2.129 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.900 2.648 -3.529 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.175 0.664 -2.189 1.00 0.00 C ATOM 0 H LEU A 42 7.115 2.692 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 42 5.370 4.243 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.723 1.714 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.743 1.689 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 42 2.864 2.708 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.990 2.558 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.191 3.697 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.699 2.076 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.275 0.601 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.956 0.043 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.954 0.311 -1.182 1.00 0.00 H new ATOM 635 N LYS A 43 4.675 4.090 1.340 1.00 0.00 N ATOM 636 CA LYS A 43 3.834 4.649 2.391 1.00 0.00 C ATOM 637 C LYS A 43 3.741 6.166 2.266 1.00 0.00 C ATOM 638 O LYS A 43 2.692 6.706 1.914 1.00 0.00 O ATOM 639 CB LYS A 43 4.386 4.273 3.768 1.00 0.00 C ATOM 640 CG LYS A 43 3.338 4.282 4.867 1.00 0.00 C ATOM 641 CD LYS A 43 3.735 3.380 6.024 1.00 0.00 C ATOM 642 CE LYS A 43 3.306 1.941 5.781 1.00 0.00 C ATOM 643 NZ LYS A 43 3.469 1.101 7.000 1.00 0.00 N ATOM 0 H LYS A 43 5.471 3.551 1.680 1.00 0.00 H new ATOM 0 HA LYS A 43 2.833 4.232 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.833 3.280 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.183 4.967 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.199 5.300 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.381 3.954 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.815 3.420 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.280 3.746 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.264 1.921 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.895 1.519 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.166 0.128 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.468 1.099 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.887 1.489 7.769 1.00 0.00 H new ATOM 657 N ASP A 44 4.844 6.848 2.554 1.00 0.00 N ATOM 658 CA ASP A 44 4.888 8.303 2.471 1.00 0.00 C ATOM 659 C ASP A 44 4.105 8.801 1.260 1.00 0.00 C ATOM 660 O ASP A 44 3.456 9.846 1.315 1.00 0.00 O ATOM 661 CB ASP A 44 6.336 8.787 2.392 1.00 0.00 C ATOM 662 CG ASP A 44 6.463 10.277 2.645 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.515 10.674 3.828 1.00 0.00 O ATOM 664 OD2 ASP A 44 6.510 11.045 1.662 1.00 0.00 O ATOM 0 H ASP A 44 5.720 6.416 2.847 1.00 0.00 H new ATOM 0 HA ASP A 44 4.427 8.708 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.938 8.245 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.741 8.553 1.408 1.00 0.00 H new ATOM 669 N HIS A 45 4.172 8.048 0.167 1.00 0.00 N ATOM 670 CA HIS A 45 3.469 8.414 -1.058 1.00 0.00 C ATOM 671 C HIS A 45 2.001 8.713 -0.773 1.00 0.00 C ATOM 672 O HIS A 45 1.517 9.813 -1.043 1.00 0.00 O ATOM 673 CB HIS A 45 3.582 7.291 -2.090 1.00 0.00 C ATOM 674 CG HIS A 45 3.335 7.744 -3.496 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.289 7.669 -4.490 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.234 8.278 -4.074 1.00 0.00 C ATOM 677 CE1 HIS A 45 3.785 8.138 -5.617 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.539 8.514 -5.392 1.00 0.00 N ATOM 0 H HIS A 45 4.706 7.181 0.104 1.00 0.00 H new ATOM 0 HA HIS A 45 3.933 9.315 -1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.577 6.850 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.869 6.505 -1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.291 8.481 -3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.304 8.203 -6.562 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.906 8.915 -6.085 1.00 0.00 H new ATOM 687 N PHE A 46 1.296 7.728 -0.228 1.00 0.00 N ATOM 688 CA PHE A 46 -0.119 7.885 0.092 1.00 0.00 C ATOM 689 C PHE A 46 -0.301 8.713 1.361 1.00 0.00 C ATOM 690 O PHE A 46 -1.245 9.494 1.475 1.00 0.00 O ATOM 691 CB PHE A 46 -0.780 6.516 0.263 1.00 0.00 C ATOM 692 CG PHE A 46 -1.033 5.806 -1.037 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.024 5.366 -1.818 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.327 5.579 -1.477 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.205 4.712 -3.014 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.561 4.925 -2.672 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.499 4.492 -3.442 1.00 0.00 C ATOM 0 H PHE A 46 1.681 6.812 0.002 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.597 8.410 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.146 5.891 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.726 6.641 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.038 5.536 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.161 5.917 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.627 4.373 -3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.574 4.753 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.681 3.982 -4.377 1.00 0.00 H new ATOM 707 N SER A 47 0.611 8.534 2.312 1.00 0.00 N ATOM 708 CA SER A 47 0.549 9.260 3.575 1.00 0.00 C ATOM 709 C SER A 47 0.490 10.766 3.334 1.00 0.00 C ATOM 710 O SER A 47 -0.355 11.463 3.897 1.00 0.00 O ATOM 711 CB SER A 47 1.762 8.919 4.443 1.00 0.00 C ATOM 712 OG SER A 47 2.215 7.600 4.191 1.00 0.00 O ATOM 0 H SER A 47 1.401 7.893 2.232 1.00 0.00 H new ATOM 0 HA SER A 47 -0.359 8.957 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.566 9.627 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.500 9.022 5.496 1.00 0.00 H new ATOM 0 HG SER A 47 1.816 7.270 3.359 1.00 0.00 H new ATOM 718 N HIS A 48 1.393 11.260 2.493 1.00 0.00 N ATOM 719 CA HIS A 48 1.444 12.683 2.176 1.00 0.00 C ATOM 720 C HIS A 48 0.220 13.104 1.369 1.00 0.00 C ATOM 721 O HIS A 48 -0.501 14.028 1.751 1.00 0.00 O ATOM 722 CB HIS A 48 2.719 13.008 1.397 1.00 0.00 C ATOM 723 CG HIS A 48 2.558 12.897 -0.088 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.000 11.811 -0.813 1.00 0.00 N ATOM 725 CD2 HIS A 48 1.999 13.744 -0.983 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.721 11.995 -2.091 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.112 13.160 -2.221 1.00 0.00 N ATOM 0 H HIS A 48 2.099 10.697 2.019 1.00 0.00 H new ATOM 0 HA HIS A 48 1.448 13.239 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.038 14.020 1.645 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.514 12.335 1.719 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.469 10.993 -0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.548 14.701 -0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.952 11.310 -2.893 1.00 0.00 H new ATOM 736 N LEU A 49 -0.010 12.422 0.253 1.00 0.00 N ATOM 737 CA LEU A 49 -1.148 12.726 -0.609 1.00 0.00 C ATOM 738 C LEU A 49 -2.442 12.780 0.197 1.00 0.00 C ATOM 739 O LEU A 49 -3.119 13.808 0.235 1.00 0.00 O ATOM 740 CB LEU A 49 -1.267 11.678 -1.717 1.00 0.00 C ATOM 741 CG LEU A 49 -2.215 12.022 -2.867 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.572 12.451 -2.329 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.617 13.114 -3.742 1.00 0.00 C ATOM 0 H LEU A 49 0.576 11.655 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.981 13.705 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.274 11.502 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.596 10.740 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.354 11.130 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.234 12.692 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.005 11.639 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.451 13.330 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.305 13.346 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.448 14.009 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.669 12.770 -4.156 1.00 0.00 H new ATOM 755 N LEU A 50 -2.779 11.668 0.840 1.00 0.00 N ATOM 756 CA LEU A 50 -3.991 11.589 1.648 1.00 0.00 C ATOM 757 C LEU A 50 -4.013 12.687 2.707 1.00 0.00 C ATOM 758 O LEU A 50 -5.077 13.120 3.145 1.00 0.00 O ATOM 759 CB LEU A 50 -4.093 10.217 2.317 1.00 0.00 C ATOM 760 CG LEU A 50 -4.152 9.014 1.375 1.00 0.00 C ATOM 761 CD1 LEU A 50 -3.650 7.762 2.077 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.570 8.807 0.862 1.00 0.00 C ATOM 0 H LEU A 50 -2.230 10.808 0.818 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.847 11.729 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.236 10.093 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.984 10.206 2.944 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.504 9.213 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.699 6.916 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.618 7.912 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.272 7.559 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.593 7.947 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.239 8.630 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.895 9.696 0.321 1.00 0.00 H new ATOM 774 N GLY A 51 -2.828 13.134 3.112 1.00 0.00 N ATOM 775 CA GLY A 51 -2.733 14.179 4.115 1.00 0.00 C ATOM 776 C GLY A 51 -2.711 13.628 5.527 1.00 0.00 C ATOM 777 O GLY A 51 -3.090 14.316 6.475 1.00 0.00 O ATOM 0 H GLY A 51 -1.933 12.791 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.829 14.763 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.578 14.860 4.007 1.00 0.00 H new ATOM 781 N ILE A 52 -2.266 12.384 5.667 1.00 0.00 N ATOM 782 CA ILE A 52 -2.196 11.741 6.973 1.00 0.00 C ATOM 783 C ILE A 52 -0.829 11.106 7.201 1.00 0.00 C ATOM 784 O ILE A 52 -0.149 10.683 6.266 1.00 0.00 O ATOM 785 CB ILE A 52 -3.283 10.660 7.128 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.121 9.585 6.051 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.667 11.287 7.054 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.100 8.440 6.189 1.00 0.00 C ATOM 0 H ILE A 52 -1.949 11.801 4.892 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.361 12.520 7.717 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.170 10.189 8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.246 10.043 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.105 9.191 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.424 10.511 7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.778 12.019 7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.792 11.780 6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.928 7.716 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.960 7.956 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.119 8.822 6.118 1.00 0.00 H new ATOM 800 N PRO A 53 -0.414 11.036 8.475 1.00 0.00 N ATOM 801 CA PRO A 53 0.875 10.452 8.857 1.00 0.00 C ATOM 802 C PRO A 53 0.908 8.940 8.660 1.00 0.00 C ATOM 803 O PRO A 53 -0.054 8.241 8.980 1.00 0.00 O ATOM 804 CB PRO A 53 0.996 10.800 10.343 1.00 0.00 C ATOM 805 CG PRO A 53 -0.409 10.961 10.810 1.00 0.00 C ATOM 806 CD PRO A 53 -1.173 11.520 9.641 1.00 0.00 C ATOM 0 HA PRO A 53 1.693 10.836 8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.508 10.011 10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.569 11.715 10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.826 10.006 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.461 11.633 11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.203 11.163 9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.213 12.609 9.671 1.00 0.00 H new ATOM 814 N HIS A 54 2.021 8.441 8.131 1.00 0.00 N ATOM 815 CA HIS A 54 2.179 7.011 7.893 1.00 0.00 C ATOM 816 C HIS A 54 2.002 6.221 9.186 1.00 0.00 C ATOM 817 O HIS A 54 1.739 5.019 9.160 1.00 0.00 O ATOM 818 CB HIS A 54 3.554 6.722 7.289 1.00 0.00 C ATOM 819 CG HIS A 54 4.683 7.354 8.043 1.00 0.00 C ATOM 820 ND1 HIS A 54 5.066 6.948 9.304 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.516 8.366 7.706 1.00 0.00 C ATOM 822 CE1 HIS A 54 6.084 7.685 9.711 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.377 8.553 8.759 1.00 0.00 N ATOM 0 H HIS A 54 2.826 9.005 7.859 1.00 0.00 H new ATOM 0 HA HIS A 54 1.408 6.698 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.708 5.643 7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.571 7.078 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.505 8.923 6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.591 7.594 10.660 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.122 9.249 8.800 1.00 0.00 H new ATOM 832 N SER A 55 2.148 6.905 10.316 1.00 0.00 N ATOM 833 CA SER A 55 2.009 6.267 11.620 1.00 0.00 C ATOM 834 C SER A 55 0.664 5.556 11.735 1.00 0.00 C ATOM 835 O SER A 55 0.605 4.346 11.957 1.00 0.00 O ATOM 836 CB SER A 55 2.148 7.303 12.736 1.00 0.00 C ATOM 837 OG SER A 55 0.926 7.987 12.953 1.00 0.00 O ATOM 0 H SER A 55 2.363 7.901 10.355 1.00 0.00 H new ATOM 0 HA SER A 55 2.802 5.526 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.461 6.810 13.657 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.928 8.019 12.477 1.00 0.00 H new ATOM 0 HG SER A 55 1.041 8.642 13.672 1.00 0.00 H new ATOM 843 N VAL A 56 -0.416 6.316 11.584 1.00 0.00 N ATOM 844 CA VAL A 56 -1.761 5.761 11.670 1.00 0.00 C ATOM 845 C VAL A 56 -2.059 4.857 10.479 1.00 0.00 C ATOM 846 O VAL A 56 -2.855 3.922 10.579 1.00 0.00 O ATOM 847 CB VAL A 56 -2.825 6.873 11.736 1.00 0.00 C ATOM 848 CG1 VAL A 56 -2.729 7.626 13.053 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.675 7.822 10.557 1.00 0.00 C ATOM 0 H VAL A 56 -0.385 7.319 11.401 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.803 5.174 12.588 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.812 6.413 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.488 8.408 13.081 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.889 6.934 13.880 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.741 8.077 13.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.434 8.602 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.685 8.277 10.580 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.798 7.268 9.626 1.00 0.00 H new ATOM 859 N LEU A 57 -1.415 5.140 9.352 1.00 0.00 N ATOM 860 CA LEU A 57 -1.611 4.352 8.140 1.00 0.00 C ATOM 861 C LEU A 57 -0.766 3.083 8.174 1.00 0.00 C ATOM 862 O LEU A 57 0.365 3.092 8.660 1.00 0.00 O ATOM 863 CB LEU A 57 -1.255 5.182 6.906 1.00 0.00 C ATOM 864 CG LEU A 57 -0.936 4.393 5.636 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.202 3.783 5.054 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.253 5.287 4.610 1.00 0.00 C ATOM 0 H LEU A 57 -0.753 5.909 9.252 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.662 4.066 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.086 5.854 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.394 5.806 7.148 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.253 3.584 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.955 3.225 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.651 3.110 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.909 4.576 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.033 4.709 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.912 6.117 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.676 5.676 5.027 1.00 0.00 H new ATOM 878 N GLN A 58 -1.322 1.994 7.653 1.00 0.00 N ATOM 879 CA GLN A 58 -0.618 0.717 7.622 1.00 0.00 C ATOM 880 C GLN A 58 -0.935 -0.049 6.342 1.00 0.00 C ATOM 881 O GLN A 58 -1.808 0.348 5.570 1.00 0.00 O ATOM 882 CB GLN A 58 -0.995 -0.126 8.842 1.00 0.00 C ATOM 883 CG GLN A 58 -0.971 0.650 10.149 1.00 0.00 C ATOM 884 CD GLN A 58 -0.663 -0.231 11.344 1.00 0.00 C ATOM 885 OE1 GLN A 58 0.477 -0.294 11.806 1.00 0.00 O ATOM 886 NE2 GLN A 58 -1.680 -0.916 11.852 1.00 0.00 N ATOM 0 H GLN A 58 -2.257 1.970 7.247 1.00 0.00 H new ATOM 0 HA GLN A 58 0.453 0.920 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.992 -0.540 8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.308 -0.969 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.225 1.442 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.936 1.134 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.608 -0.834 11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.533 -1.525 12.657 1.00 0.00 H new ATOM 895 N ILE A 59 -0.220 -1.147 6.123 1.00 0.00 N ATOM 896 CA ILE A 59 -0.426 -1.968 4.937 1.00 0.00 C ATOM 897 C ILE A 59 -0.571 -3.441 5.306 1.00 0.00 C ATOM 898 O ILE A 59 0.197 -3.968 6.111 1.00 0.00 O ATOM 899 CB ILE A 59 0.735 -1.813 3.937 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.010 -0.333 3.667 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.417 -2.543 2.640 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.221 -0.093 2.793 1.00 0.00 C ATOM 0 H ILE A 59 0.507 -1.489 6.752 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.347 -1.621 4.469 1.00 0.00 H new ATOM 0 HB ILE A 59 1.631 -2.256 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.135 0.110 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.150 0.181 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.247 -2.425 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.265 -3.602 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.489 -2.126 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.355 0.978 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.106 -0.506 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.075 -0.578 1.828 1.00 0.00 H new ATOM 914 N ARG A 60 -1.560 -4.100 4.711 1.00 0.00 N ATOM 915 CA ARG A 60 -1.806 -5.512 4.977 1.00 0.00 C ATOM 916 C ARG A 60 -1.561 -6.351 3.726 1.00 0.00 C ATOM 917 O ARG A 60 -1.962 -5.973 2.625 1.00 0.00 O ATOM 918 CB ARG A 60 -3.239 -5.718 5.470 1.00 0.00 C ATOM 919 CG ARG A 60 -3.591 -7.174 5.726 1.00 0.00 C ATOM 920 CD ARG A 60 -5.081 -7.352 5.971 1.00 0.00 C ATOM 921 NE ARG A 60 -5.519 -6.683 7.193 1.00 0.00 N ATOM 922 CZ ARG A 60 -6.775 -6.311 7.417 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.711 -6.542 6.508 1.00 0.00 N ATOM 924 NH2 ARG A 60 -7.095 -5.706 8.554 1.00 0.00 N ATOM 0 H ARG A 60 -2.204 -3.679 4.042 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.112 -5.836 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.383 -5.151 6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.930 -5.310 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.287 -7.779 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.033 -7.538 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.638 -6.956 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.313 -8.415 6.037 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.823 -6.491 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.469 -7.007 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.674 -6.255 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.377 -5.527 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.059 -5.420 8.726 1.00 0.00 H new ATOM 938 N TYR A 61 -0.901 -7.490 3.903 1.00 0.00 N ATOM 939 CA TYR A 61 -0.601 -8.381 2.789 1.00 0.00 C ATOM 940 C TYR A 61 -0.671 -9.841 3.225 1.00 0.00 C ATOM 941 O TYR A 61 -0.005 -10.249 4.177 1.00 0.00 O ATOM 942 CB TYR A 61 0.785 -8.072 2.221 1.00 0.00 C ATOM 943 CG TYR A 61 1.281 -9.108 1.238 1.00 0.00 C ATOM 944 CD1 TYR A 61 0.829 -9.121 -0.076 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.204 -10.074 1.622 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.279 -10.066 -0.977 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.660 -11.022 0.727 1.00 0.00 C ATOM 948 CZ TYR A 61 2.195 -11.014 -0.571 1.00 0.00 C ATOM 949 OH TYR A 61 2.646 -11.956 -1.466 1.00 0.00 O ATOM 0 H TYR A 61 -0.563 -7.818 4.808 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.349 -8.217 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.758 -7.100 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.496 -7.994 3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.113 -8.379 -0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.571 -10.083 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.916 -10.063 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.377 -11.766 1.042 1.00 0.00 H new ATOM 0 HH TYR A 61 3.288 -12.549 -1.022 1.00 0.00 H new ATOM 959 N SER A 62 -1.482 -10.624 2.521 1.00 0.00 N ATOM 960 CA SER A 62 -1.642 -12.039 2.836 1.00 0.00 C ATOM 961 C SER A 62 -2.268 -12.221 4.215 1.00 0.00 C ATOM 962 O SER A 62 -2.069 -13.243 4.870 1.00 0.00 O ATOM 963 CB SER A 62 -0.290 -12.752 2.778 1.00 0.00 C ATOM 964 OG SER A 62 -0.458 -14.158 2.710 1.00 0.00 O ATOM 0 H SER A 62 -2.038 -10.303 1.729 1.00 0.00 H new ATOM 0 HA SER A 62 -2.308 -12.478 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.270 -12.407 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.298 -12.495 3.659 1.00 0.00 H new ATOM 0 HG SER A 62 -1.075 -14.448 3.414 1.00 0.00 H new ATOM 970 N GLY A 63 -3.028 -11.220 4.650 1.00 0.00 N ATOM 971 CA GLY A 63 -3.672 -11.288 5.949 1.00 0.00 C ATOM 972 C GLY A 63 -2.764 -10.825 7.071 1.00 0.00 C ATOM 973 O GLY A 63 -3.206 -10.653 8.207 1.00 0.00 O ATOM 0 H GLY A 63 -3.209 -10.364 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.572 -10.674 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.988 -12.313 6.141 1.00 0.00 H new ATOM 977 N LYS A 64 -1.489 -10.625 6.754 1.00 0.00 N ATOM 978 CA LYS A 64 -0.515 -10.180 7.744 1.00 0.00 C ATOM 979 C LYS A 64 -0.373 -8.661 7.723 1.00 0.00 C ATOM 980 O LYS A 64 -0.758 -8.006 6.754 1.00 0.00 O ATOM 981 CB LYS A 64 0.844 -10.833 7.481 1.00 0.00 C ATOM 982 CG LYS A 64 1.741 -10.023 6.561 1.00 0.00 C ATOM 983 CD LYS A 64 2.660 -10.918 5.748 1.00 0.00 C ATOM 984 CE LYS A 64 3.121 -12.123 6.554 1.00 0.00 C ATOM 985 NZ LYS A 64 2.247 -13.307 6.331 1.00 0.00 N ATOM 0 H LYS A 64 -1.106 -10.764 5.819 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.872 -10.481 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.355 -10.984 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.685 -11.819 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.127 -9.423 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.338 -9.329 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.141 -11.256 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.527 -10.346 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.146 -12.372 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.126 -11.870 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.825 -13.602 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.492 -13.060 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.813 -14.088 5.942 1.00 0.00 H new ATOM 999 N ILE A 65 0.182 -8.109 8.797 1.00 0.00 N ATOM 1000 CA ILE A 65 0.376 -6.668 8.900 1.00 0.00 C ATOM 1001 C ILE A 65 1.827 -6.288 8.626 1.00 0.00 C ATOM 1002 O ILE A 65 2.687 -6.405 9.500 1.00 0.00 O ATOM 1003 CB ILE A 65 -0.027 -6.143 10.291 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -1.435 -6.620 10.652 1.00 0.00 C ATOM 1005 CG2 ILE A 65 0.050 -4.624 10.327 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -2.512 -6.064 9.746 1.00 0.00 C ATOM 0 H ILE A 65 0.505 -8.637 9.607 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.266 -6.209 8.148 1.00 0.00 H new ATOM 0 HB ILE A 65 0.670 -6.540 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.463 -7.709 10.610 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.654 -6.335 11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.238 -4.268 11.316 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.070 -4.306 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.627 -4.208 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.484 -6.444 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.511 -4.976 9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.317 -6.371 8.718 1.00 0.00 H new ATOM 1018 N LEU A 66 2.093 -5.830 7.408 1.00 0.00 N ATOM 1019 CA LEU A 66 3.441 -5.430 7.018 1.00 0.00 C ATOM 1020 C LEU A 66 3.865 -4.160 7.748 1.00 0.00 C ATOM 1021 O LEU A 66 3.031 -3.441 8.301 1.00 0.00 O ATOM 1022 CB LEU A 66 3.512 -5.211 5.506 1.00 0.00 C ATOM 1023 CG LEU A 66 2.854 -6.286 4.640 1.00 0.00 C ATOM 1024 CD1 LEU A 66 2.985 -5.938 3.166 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.469 -7.649 4.924 1.00 0.00 C ATOM 0 H LEU A 66 1.393 -5.726 6.673 1.00 0.00 H new ATOM 0 HA LEU A 66 4.126 -6.232 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.047 -4.252 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.561 -5.134 5.219 1.00 0.00 H new ATOM 0 HG LEU A 66 1.794 -6.328 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.511 -6.714 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.498 -4.982 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.040 -5.868 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.989 -8.402 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.536 -7.620 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.323 -7.902 5.974 1.00 0.00 H new ATOM 1037 N LYS A 67 5.165 -3.887 7.745 1.00 0.00 N ATOM 1038 CA LYS A 67 5.700 -2.701 8.403 1.00 0.00 C ATOM 1039 C LYS A 67 6.620 -1.927 7.465 1.00 0.00 C ATOM 1040 O LYS A 67 7.028 -2.435 6.422 1.00 0.00 O ATOM 1041 CB LYS A 67 6.462 -3.096 9.670 1.00 0.00 C ATOM 1042 CG LYS A 67 5.700 -4.061 10.562 1.00 0.00 C ATOM 1043 CD LYS A 67 6.642 -4.965 11.339 1.00 0.00 C ATOM 1044 CE LYS A 67 7.241 -4.247 12.538 1.00 0.00 C ATOM 1045 NZ LYS A 67 8.275 -5.074 13.220 1.00 0.00 N ATOM 0 H LYS A 67 5.868 -4.472 7.294 1.00 0.00 H new ATOM 0 HA LYS A 67 4.863 -2.058 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.412 -3.549 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.696 -2.196 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.077 -3.500 11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.030 -4.669 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.103 -5.850 11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.442 -5.309 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.685 -3.306 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.450 -3.999 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.659 -4.550 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.846 -5.961 13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.043 -5.290 12.553 1.00 0.00 H new ATOM 1059 N ASN A 68 6.944 -0.695 7.845 1.00 0.00 N ATOM 1060 CA ASN A 68 7.817 0.149 7.038 1.00 0.00 C ATOM 1061 C ASN A 68 9.184 -0.502 6.852 1.00 0.00 C ATOM 1062 O ASN A 68 9.568 -0.858 5.738 1.00 0.00 O ATOM 1063 CB ASN A 68 7.980 1.523 7.691 1.00 0.00 C ATOM 1064 CG ASN A 68 8.071 1.438 9.202 1.00 0.00 C ATOM 1065 OD1 ASN A 68 7.060 1.288 9.888 1.00 0.00 O ATOM 1066 ND2 ASN A 68 9.286 1.534 9.728 1.00 0.00 N ATOM 0 H ASN A 68 6.615 -0.259 8.707 1.00 0.00 H new ATOM 0 HA ASN A 68 7.356 0.272 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.878 2.003 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.136 2.156 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.409 1.484 10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.096 1.658 9.121 1.00 0.00 H new ATOM 1073 N ASN A 69 9.915 -0.656 7.952 1.00 0.00 N ATOM 1074 CA ASN A 69 11.239 -1.265 7.910 1.00 0.00 C ATOM 1075 C ASN A 69 11.231 -2.527 7.053 1.00 0.00 C ATOM 1076 O ASN A 69 12.171 -2.783 6.301 1.00 0.00 O ATOM 1077 CB ASN A 69 11.714 -1.599 9.326 1.00 0.00 C ATOM 1078 CG ASN A 69 12.815 -2.643 9.335 1.00 0.00 C ATOM 1079 OD1 ASN A 69 13.746 -2.586 8.532 1.00 0.00 O ATOM 1080 ND2 ASN A 69 12.712 -3.603 10.247 1.00 0.00 N ATOM 0 H ASN A 69 9.613 -0.367 8.882 1.00 0.00 H new ATOM 0 HA ASN A 69 11.927 -0.548 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.074 -0.691 9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.870 -1.960 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.422 -4.333 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.922 -3.610 10.893 1.00 0.00 H new ATOM 1087 N GLU A 70 10.164 -3.311 7.173 1.00 0.00 N ATOM 1088 CA GLU A 70 10.035 -4.546 6.409 1.00 0.00 C ATOM 1089 C GLU A 70 10.178 -4.278 4.914 1.00 0.00 C ATOM 1090 O GLU A 70 10.024 -3.146 4.456 1.00 0.00 O ATOM 1091 CB GLU A 70 8.685 -5.208 6.693 1.00 0.00 C ATOM 1092 CG GLU A 70 8.704 -6.139 7.893 1.00 0.00 C ATOM 1093 CD GLU A 70 7.352 -6.773 8.161 1.00 0.00 C ATOM 1094 OE1 GLU A 70 6.346 -6.034 8.186 1.00 0.00 O ATOM 1095 OE2 GLU A 70 7.301 -8.007 8.345 1.00 0.00 O ATOM 0 H GLU A 70 9.377 -3.113 7.791 1.00 0.00 H new ATOM 0 HA GLU A 70 10.834 -5.220 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.937 -4.432 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.373 -5.770 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.443 -6.923 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.021 -5.583 8.775 1.00 0.00 H new ATOM 1102 N THR A 71 10.476 -5.330 4.156 1.00 0.00 N ATOM 1103 CA THR A 71 10.643 -5.210 2.714 1.00 0.00 C ATOM 1104 C THR A 71 9.824 -6.262 1.976 1.00 0.00 C ATOM 1105 O THR A 71 9.591 -7.356 2.492 1.00 0.00 O ATOM 1106 CB THR A 71 12.122 -5.347 2.305 1.00 0.00 C ATOM 1107 OG1 THR A 71 12.966 -4.828 3.339 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.395 -4.610 1.003 1.00 0.00 C ATOM 0 H THR A 71 10.606 -6.275 4.518 1.00 0.00 H new ATOM 0 HA THR A 71 10.288 -4.217 2.437 1.00 0.00 H new ATOM 0 HB THR A 71 12.338 -6.405 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.904 -4.920 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.446 -4.721 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.773 -5.027 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.163 -3.552 1.128 1.00 0.00 H new ATOM 1116 N LEU A 72 9.389 -5.926 0.766 1.00 0.00 N ATOM 1117 CA LEU A 72 8.596 -6.844 -0.044 1.00 0.00 C ATOM 1118 C LEU A 72 9.310 -8.182 -0.208 1.00 0.00 C ATOM 1119 O LEU A 72 8.762 -9.235 0.120 1.00 0.00 O ATOM 1120 CB LEU A 72 8.314 -6.231 -1.416 1.00 0.00 C ATOM 1121 CG LEU A 72 7.182 -5.204 -1.474 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.895 -5.797 -0.922 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.564 -3.947 -0.707 1.00 0.00 C ATOM 0 H LEU A 72 9.572 -5.025 0.325 1.00 0.00 H new ATOM 0 HA LEU A 72 7.651 -7.019 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.227 -5.756 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.081 -7.038 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 72 7.015 -4.933 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.101 -5.052 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.613 -6.668 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.048 -6.096 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.747 -3.227 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.758 -4.201 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.461 -3.511 -1.147 1.00 0.00 H new ATOM 1135 N VAL A 73 10.537 -8.133 -0.717 1.00 0.00 N ATOM 1136 CA VAL A 73 11.328 -9.341 -0.922 1.00 0.00 C ATOM 1137 C VAL A 73 11.332 -10.214 0.328 1.00 0.00 C ATOM 1138 O VAL A 73 11.134 -11.426 0.250 1.00 0.00 O ATOM 1139 CB VAL A 73 12.781 -9.001 -1.303 1.00 0.00 C ATOM 1140 CG1 VAL A 73 12.883 -8.679 -2.786 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.296 -7.844 -0.461 1.00 0.00 C ATOM 0 H VAL A 73 11.005 -7.270 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 73 10.864 -9.889 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 73 13.404 -9.872 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.917 -8.441 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.557 -9.541 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.248 -7.824 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.324 -7.618 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.672 -6.966 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.262 -8.118 0.593 1.00 0.00 H new ATOM 1151 N GLN A 74 11.559 -9.589 1.479 1.00 0.00 N ATOM 1152 CA GLN A 74 11.590 -10.309 2.746 1.00 0.00 C ATOM 1153 C GLN A 74 10.355 -11.190 2.900 1.00 0.00 C ATOM 1154 O GLN A 74 10.407 -12.246 3.532 1.00 0.00 O ATOM 1155 CB GLN A 74 11.679 -9.326 3.914 1.00 0.00 C ATOM 1156 CG GLN A 74 13.105 -8.974 4.305 1.00 0.00 C ATOM 1157 CD GLN A 74 13.904 -10.183 4.750 1.00 0.00 C ATOM 1158 OE1 GLN A 74 13.729 -10.681 5.862 1.00 0.00 O ATOM 1159 NE2 GLN A 74 14.787 -10.661 3.882 1.00 0.00 N ATOM 0 H GLN A 74 11.724 -8.586 1.560 1.00 0.00 H new ATOM 0 HA GLN A 74 12.473 -10.948 2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.147 -8.412 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.169 -9.753 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.605 -8.505 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.086 -8.239 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.899 -10.216 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.354 -11.473 4.126 1.00 0.00 H new ATOM 1168 N HIS A 75 9.243 -10.750 2.320 1.00 0.00 N ATOM 1169 CA HIS A 75 7.994 -11.499 2.393 1.00 0.00 C ATOM 1170 C HIS A 75 7.933 -12.562 1.301 1.00 0.00 C ATOM 1171 O HIS A 75 7.291 -13.599 1.465 1.00 0.00 O ATOM 1172 CB HIS A 75 6.799 -10.553 2.267 1.00 0.00 C ATOM 1173 CG HIS A 75 6.660 -9.607 3.420 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.213 -9.998 4.665 1.00 0.00 N ATOM 1175 CD2 HIS A 75 6.914 -8.281 3.513 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.196 -8.952 5.472 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.618 -7.898 4.798 1.00 0.00 N ATOM 0 H HIS A 75 9.182 -9.878 1.794 1.00 0.00 H new ATOM 0 HA HIS A 75 7.954 -11.996 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.896 -9.978 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 75 5.887 -11.143 2.180 1.00 0.00 H new ATOM 0 HD1 HIS A 75 5.939 -10.946 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.281 -7.643 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.889 -8.958 6.507 1.00 0.00 H new ATOM 1186 N GLY A 76 8.605 -12.297 0.185 1.00 0.00 N ATOM 1187 CA GLY A 76 8.613 -13.240 -0.918 1.00 0.00 C ATOM 1188 C GLY A 76 7.955 -12.681 -2.164 1.00 0.00 C ATOM 1189 O GLY A 76 6.995 -13.254 -2.679 1.00 0.00 O ATOM 0 H GLY A 76 9.144 -11.446 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.642 -13.517 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.097 -14.152 -0.616 1.00 0.00 H new ATOM 1193 N VAL A 77 8.471 -11.556 -2.650 1.00 0.00 N ATOM 1194 CA VAL A 77 7.927 -10.918 -3.843 1.00 0.00 C ATOM 1195 C VAL A 77 8.992 -10.775 -4.924 1.00 0.00 C ATOM 1196 O VAL A 77 10.032 -10.153 -4.709 1.00 0.00 O ATOM 1197 CB VAL A 77 7.348 -9.528 -3.521 1.00 0.00 C ATOM 1198 CG1 VAL A 77 6.860 -8.846 -4.791 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.225 -9.642 -2.502 1.00 0.00 C ATOM 0 H VAL A 77 9.265 -11.068 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 77 7.127 -11.561 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 77 8.139 -8.915 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.454 -7.865 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.693 -8.730 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.083 -9.454 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.827 -8.650 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.431 -10.271 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.610 -10.086 -1.584 1.00 0.00 H new ATOM 1209 N LYS A 78 8.726 -11.356 -6.089 1.00 0.00 N ATOM 1210 CA LYS A 78 9.661 -11.293 -7.207 1.00 0.00 C ATOM 1211 C LYS A 78 9.446 -10.023 -8.024 1.00 0.00 C ATOM 1212 O LYS A 78 8.364 -9.436 -8.032 1.00 0.00 O ATOM 1213 CB LYS A 78 9.499 -12.523 -8.104 1.00 0.00 C ATOM 1214 CG LYS A 78 10.296 -13.727 -7.634 1.00 0.00 C ATOM 1215 CD LYS A 78 9.833 -15.003 -8.317 1.00 0.00 C ATOM 1216 CE LYS A 78 10.377 -16.239 -7.616 1.00 0.00 C ATOM 1217 NZ LYS A 78 11.850 -16.373 -7.794 1.00 0.00 N ATOM 0 H LYS A 78 7.870 -11.876 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 78 10.673 -11.277 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.444 -12.792 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.808 -12.267 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.354 -13.567 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.193 -13.833 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.744 -15.038 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.160 -15.000 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.143 -16.186 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.881 -17.127 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.183 -17.227 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.072 -16.449 -8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.325 -15.537 -7.397 1.00 0.00 H new ATOM 1231 N PRO A 79 10.500 -9.588 -8.731 1.00 0.00 N ATOM 1232 CA PRO A 79 10.451 -8.385 -9.566 1.00 0.00 C ATOM 1233 C PRO A 79 9.576 -8.572 -10.801 1.00 0.00 C ATOM 1234 O PRO A 79 9.559 -9.645 -11.404 1.00 0.00 O ATOM 1235 CB PRO A 79 11.912 -8.175 -9.973 1.00 0.00 C ATOM 1236 CG PRO A 79 12.525 -9.530 -9.893 1.00 0.00 C ATOM 1237 CD PRO A 79 11.821 -10.238 -8.769 1.00 0.00 C ATOM 0 HA PRO A 79 10.016 -7.538 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.988 -7.765 -10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.412 -7.474 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.402 -10.070 -10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.596 -9.463 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.737 -11.308 -8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.353 -10.122 -7.825 1.00 0.00 H new ATOM 1245 N GLN A 80 8.851 -7.521 -11.172 1.00 0.00 N ATOM 1246 CA GLN A 80 7.974 -7.571 -12.335 1.00 0.00 C ATOM 1247 C GLN A 80 6.876 -8.613 -12.145 1.00 0.00 C ATOM 1248 O GLN A 80 6.524 -9.334 -13.078 1.00 0.00 O ATOM 1249 CB GLN A 80 8.781 -7.887 -13.596 1.00 0.00 C ATOM 1250 CG GLN A 80 9.404 -6.661 -14.243 1.00 0.00 C ATOM 1251 CD GLN A 80 10.477 -7.016 -15.253 1.00 0.00 C ATOM 1252 OE1 GLN A 80 11.372 -7.812 -14.971 1.00 0.00 O ATOM 1253 NE2 GLN A 80 10.392 -6.425 -16.439 1.00 0.00 N ATOM 0 H GLN A 80 8.854 -6.625 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 80 7.506 -6.593 -12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.570 -8.595 -13.344 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.131 -8.379 -14.320 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.625 -6.079 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.835 -6.026 -13.469 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.633 -5.771 -16.630 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.086 -6.625 -17.159 1.00 0.00 H new ATOM 1262 N GLU A 81 6.341 -8.686 -10.931 1.00 0.00 N ATOM 1263 CA GLU A 81 5.284 -9.642 -10.619 1.00 0.00 C ATOM 1264 C GLU A 81 4.007 -8.921 -10.196 1.00 0.00 C ATOM 1265 O GLU A 81 4.031 -7.735 -9.867 1.00 0.00 O ATOM 1266 CB GLU A 81 5.737 -10.594 -9.510 1.00 0.00 C ATOM 1267 CG GLU A 81 5.410 -10.099 -8.112 1.00 0.00 C ATOM 1268 CD GLU A 81 5.789 -11.098 -7.036 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.511 -12.066 -7.352 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.362 -10.911 -5.877 1.00 0.00 O ATOM 0 H GLU A 81 6.621 -8.096 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 81 5.074 -10.219 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.266 -11.565 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.813 -10.746 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.933 -9.160 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.343 -9.887 -8.046 1.00 0.00 H new ATOM 1277 N ILE A 82 2.894 -9.647 -10.207 1.00 0.00 N ATOM 1278 CA ILE A 82 1.608 -9.078 -9.823 1.00 0.00 C ATOM 1279 C ILE A 82 1.157 -9.604 -8.465 1.00 0.00 C ATOM 1280 O ILE A 82 0.956 -10.806 -8.288 1.00 0.00 O ATOM 1281 CB ILE A 82 0.521 -9.391 -10.869 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.774 -8.598 -12.152 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.858 -9.076 -10.308 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.122 -9.005 -13.301 1.00 0.00 C ATOM 0 H ILE A 82 2.857 -10.630 -10.477 1.00 0.00 H new ATOM 0 HA ILE A 82 1.745 -7.998 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 82 0.561 -10.454 -11.108 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.630 -7.537 -11.948 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.815 -8.727 -12.450 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.616 -9.302 -11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.036 -9.681 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.911 -8.020 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.113 -8.401 -14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.038 -10.058 -13.532 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.164 -8.849 -13.022 1.00 0.00 H new ATOM 1296 N VAL A 83 0.999 -8.695 -7.508 1.00 0.00 N ATOM 1297 CA VAL A 83 0.569 -9.066 -6.165 1.00 0.00 C ATOM 1298 C VAL A 83 -0.685 -8.301 -5.759 1.00 0.00 C ATOM 1299 O VAL A 83 -1.252 -7.553 -6.555 1.00 0.00 O ATOM 1300 CB VAL A 83 1.677 -8.802 -5.128 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.999 -9.390 -5.597 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.811 -7.310 -4.861 1.00 0.00 C ATOM 0 H VAL A 83 1.162 -7.697 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 83 0.349 -10.133 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 83 1.401 -9.292 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.770 -9.193 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.891 -10.466 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.285 -8.932 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.598 -7.141 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.064 -6.796 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.867 -6.923 -4.477 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.113 -8.494 -4.515 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.301 -7.822 -4.003 1.00 0.00 C ATOM 1314 C GLN A 84 -2.111 -7.414 -2.546 1.00 0.00 C ATOM 1315 O GLN A 84 -1.843 -8.254 -1.686 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.524 -8.731 -4.136 1.00 0.00 C ATOM 1317 CG GLN A 84 -4.821 -8.073 -3.694 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.049 -8.818 -4.181 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.778 -9.420 -3.392 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -6.284 -8.782 -5.488 1.00 0.00 N ATOM 0 H GLN A 84 -0.655 -9.110 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.461 -6.921 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.621 -9.046 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.363 -9.632 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.843 -8.017 -2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.850 -7.049 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.653 -8.271 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.095 -9.266 -5.874 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.250 -6.120 -2.275 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.094 -5.601 -0.921 1.00 0.00 C ATOM 1331 C VAL A 85 -3.292 -4.748 -0.519 1.00 0.00 C ATOM 1332 O VAL A 85 -4.155 -4.445 -1.342 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.810 -4.761 -0.787 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.415 -5.604 -1.104 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.877 -3.539 -1.690 1.00 0.00 C ATOM 0 H VAL A 85 -2.470 -5.412 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.026 -6.462 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.726 -4.417 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.313 -4.994 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.468 -6.444 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.344 -5.980 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.038 -2.957 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.985 -3.858 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.733 -2.925 -1.409 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.336 -4.363 0.753 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.429 -3.544 1.264 1.00 0.00 C ATOM 1347 C GLU A 86 -3.895 -2.384 2.100 1.00 0.00 C ATOM 1348 O GLU A 86 -2.812 -2.471 2.680 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.384 -4.395 2.104 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.278 -5.303 1.277 1.00 0.00 C ATOM 1351 CD GLU A 86 -5.549 -6.530 0.765 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.099 -7.344 1.599 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -5.428 -6.677 -0.469 1.00 0.00 O ATOM 0 H GLU A 86 -2.629 -4.605 1.447 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.972 -3.135 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.802 -5.004 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.008 -3.736 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.129 -5.617 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.676 -4.742 0.431 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.662 -1.301 2.156 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.266 -0.125 2.921 1.00 0.00 C ATOM 1362 C ILE A 87 -5.391 0.335 3.843 1.00 0.00 C ATOM 1363 O ILE A 87 -6.557 0.368 3.449 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.867 1.040 1.996 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.530 0.744 1.314 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.790 2.340 2.783 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.154 1.756 0.255 1.00 0.00 C ATOM 0 H ILE A 87 -5.561 -1.213 1.681 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.403 -0.414 3.521 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.630 1.150 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.745 0.713 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.575 -0.246 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.507 3.153 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.763 2.556 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.045 2.243 3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.195 1.482 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.919 1.771 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.076 2.745 0.708 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.033 0.692 5.072 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.011 1.151 6.050 1.00 0.00 C ATOM 1381 C PHE A 88 -5.326 1.874 7.206 1.00 0.00 C ATOM 1382 O PHE A 88 -4.105 1.815 7.353 1.00 0.00 O ATOM 1383 CB PHE A 88 -6.825 -0.030 6.583 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.032 -0.957 7.460 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -5.616 -0.554 8.719 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.703 -2.231 7.025 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -4.886 -1.405 9.527 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -4.973 -3.086 7.830 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.565 -2.673 9.083 1.00 0.00 C ATOM 0 H PHE A 88 -4.072 0.672 5.414 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.683 1.851 5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.677 0.351 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.226 -0.594 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.865 0.436 9.073 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.020 -2.560 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.566 -1.079 10.506 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.722 -4.076 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.996 -3.340 9.714 1.00 0.00 H new ATOM 1399 N SER A 89 -6.121 2.557 8.024 1.00 0.00 N ATOM 1400 CA SER A 89 -5.592 3.295 9.164 1.00 0.00 C ATOM 1401 C SER A 89 -6.084 2.693 10.477 1.00 0.00 C ATOM 1402 O SER A 89 -7.230 2.255 10.583 1.00 0.00 O ATOM 1403 CB SER A 89 -6.002 4.767 9.080 1.00 0.00 C ATOM 1404 OG SER A 89 -5.254 5.557 9.989 1.00 0.00 O ATOM 0 H SER A 89 -7.134 2.614 7.918 1.00 0.00 H new ATOM 0 HA SER A 89 -4.505 3.225 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.850 5.133 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.066 4.865 9.298 1.00 0.00 H new ATOM 0 HG SER A 89 -5.415 6.506 9.807 1.00 0.00 H new ATOM 1410 N THR A 90 -5.208 2.674 11.477 1.00 0.00 N ATOM 1411 CA THR A 90 -5.551 2.125 12.783 1.00 0.00 C ATOM 1412 C THR A 90 -6.602 2.981 13.481 1.00 0.00 C ATOM 1413 O THR A 90 -7.424 2.474 14.242 1.00 0.00 O ATOM 1414 CB THR A 90 -4.310 2.015 13.689 1.00 0.00 C ATOM 1415 OG1 THR A 90 -3.877 3.320 14.088 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.178 1.296 12.971 1.00 0.00 C ATOM 0 H THR A 90 -4.256 3.033 11.407 1.00 0.00 H new ATOM 0 HA THR A 90 -5.956 1.128 12.610 1.00 0.00 H new ATOM 0 HB THR A 90 -4.583 1.438 14.573 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.089 3.241 14.665 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.313 1.230 13.630 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.501 0.292 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.908 1.850 12.072 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.569 4.283 13.215 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.519 5.211 13.818 1.00 0.00 C ATOM 1426 C ASN A 91 -8.123 6.133 12.764 1.00 0.00 C ATOM 1427 O ASN A 91 -7.654 7.249 12.538 1.00 0.00 O ATOM 1428 CB ASN A 91 -6.834 6.040 14.906 1.00 0.00 C ATOM 1429 CG ASN A 91 -7.784 6.428 16.022 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -8.327 5.569 16.718 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -7.990 7.728 16.198 1.00 0.00 N ATOM 0 H ASN A 91 -5.895 4.719 12.586 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.323 4.628 14.268 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.002 5.472 15.322 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.413 6.942 14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.619 8.050 16.933 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.519 8.405 15.598 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.189 5.659 12.103 1.00 0.00 N ATOM 1439 CA PRO A 92 -9.880 6.425 11.062 1.00 0.00 C ATOM 1440 C PRO A 92 -10.642 7.618 11.630 1.00 0.00 C ATOM 1441 O PRO A 92 -11.108 8.480 10.886 1.00 0.00 O ATOM 1442 CB PRO A 92 -10.853 5.408 10.460 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.089 4.419 11.548 1.00 0.00 C ATOM 1444 CD PRO A 92 -9.801 4.337 12.320 1.00 0.00 C ATOM 0 HA PRO A 92 -9.184 6.850 10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.783 5.885 10.150 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.430 4.931 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.910 4.735 12.191 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.361 3.446 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.978 4.145 13.378 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.163 3.533 11.953 1.00 0.00 H new ATOM 1452 N ASP A 93 -10.763 7.661 12.952 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.467 8.750 13.620 1.00 0.00 C ATOM 1454 C ASP A 93 -10.625 10.022 13.620 1.00 0.00 C ATOM 1455 O ASP A 93 -11.158 11.132 13.582 1.00 0.00 O ATOM 1456 CB ASP A 93 -11.816 8.355 15.056 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.058 9.060 15.565 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -12.937 10.212 16.032 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -14.150 8.460 15.496 1.00 0.00 O ATOM 0 H ASP A 93 -10.383 6.955 13.582 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.388 8.945 13.071 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.967 7.277 15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.975 8.590 15.709 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.308 9.854 13.664 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.391 10.988 13.670 1.00 0.00 C ATOM 1466 C LEU A 94 -7.870 11.275 12.266 1.00 0.00 C ATOM 1467 O LEU A 94 -7.941 12.407 11.785 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.219 10.718 14.616 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.515 10.860 16.109 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.392 10.255 16.936 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -7.721 12.322 16.475 1.00 0.00 C ATOM 0 H LEU A 94 -8.851 8.943 13.696 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.938 11.863 14.020 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.856 9.707 14.433 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.408 11.399 14.361 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.434 10.318 16.331 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.621 10.366 17.996 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.292 9.197 16.695 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.457 10.768 16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.931 12.404 17.541 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.819 12.887 16.238 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.561 12.724 15.908 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.350 10.243 11.611 1.00 0.00 N ATOM 1484 CA TYR A 95 -6.817 10.384 10.261 1.00 0.00 C ATOM 1485 C TYR A 95 -7.448 9.364 9.318 1.00 0.00 C ATOM 1486 O TYR A 95 -6.875 8.315 9.023 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.297 10.215 10.270 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.596 11.094 11.282 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.456 10.690 12.604 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.073 12.328 10.914 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -3.817 11.491 13.531 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.431 13.134 11.834 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.307 12.711 13.141 1.00 0.00 C ATOM 1494 OH TYR A 95 -2.668 13.511 14.062 1.00 0.00 O ATOM 0 H TYR A 95 -7.286 9.299 11.993 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.062 11.384 9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.057 9.172 10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.909 10.439 9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.853 9.734 12.912 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.170 12.662 9.892 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.718 11.163 14.555 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.029 14.090 11.532 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.367 14.335 13.626 1.00 0.00 H new ATOM 1504 N PRO A 96 -8.657 9.679 8.830 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.393 8.805 7.912 1.00 0.00 C ATOM 1506 C PRO A 96 -8.746 8.738 6.532 1.00 0.00 C ATOM 1507 O PRO A 96 -8.056 9.668 6.114 1.00 0.00 O ATOM 1508 CB PRO A 96 -10.772 9.463 7.824 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.529 10.897 8.146 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.399 10.913 9.138 1.00 0.00 C ATOM 0 HA PRO A 96 -9.419 7.774 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.203 9.348 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.471 9.012 8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.269 11.460 7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.423 11.360 8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.774 11.798 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.765 10.916 10.165 1.00 0.00 H new ATOM 1518 N VAL A 97 -8.974 7.634 5.830 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.415 7.446 4.496 1.00 0.00 C ATOM 1520 C VAL A 97 -9.425 7.826 3.419 1.00 0.00 C ATOM 1521 O VAL A 97 -10.618 7.554 3.549 1.00 0.00 O ATOM 1522 CB VAL A 97 -7.968 5.989 4.275 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.234 5.851 2.949 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.094 5.519 5.428 1.00 0.00 C ATOM 0 H VAL A 97 -9.542 6.855 6.162 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.546 8.099 4.422 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.855 5.357 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.926 4.815 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.896 6.145 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.354 6.494 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.787 4.487 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.210 6.154 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.657 5.579 6.359 1.00 0.00 H new ATOM 1534 N ARG A 98 -8.937 8.455 2.354 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.797 8.873 1.254 1.00 0.00 C ATOM 1536 C ARG A 98 -9.199 8.464 -0.089 1.00 0.00 C ATOM 1537 O ARG A 98 -8.047 8.035 -0.162 1.00 0.00 O ATOM 1538 CB ARG A 98 -10.008 10.388 1.290 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.718 11.185 1.179 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.959 12.669 1.406 1.00 0.00 C ATOM 1541 NE ARG A 98 -9.262 13.371 0.161 1.00 0.00 N ATOM 1542 CZ ARG A 98 -8.345 13.692 -0.744 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -7.073 13.376 -0.544 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -8.699 14.330 -1.852 1.00 0.00 N ATOM 0 H ARG A 98 -7.951 8.686 2.230 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.760 8.376 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.673 10.673 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.511 10.654 2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.997 10.816 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.279 11.033 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.784 12.799 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.077 13.113 1.867 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.232 13.629 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.797 12.885 0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.370 13.624 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.677 14.575 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.994 14.576 -2.546 1.00 0.00 H new ATOM 1558 N ARG A 99 -9.990 8.598 -1.149 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.539 8.240 -2.488 1.00 0.00 C ATOM 1560 C ARG A 99 -8.411 9.160 -2.946 1.00 0.00 C ATOM 1561 O ARG A 99 -8.189 10.223 -2.365 1.00 0.00 O ATOM 1562 CB ARG A 99 -10.704 8.313 -3.477 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.245 9.719 -3.680 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.163 10.132 -2.540 1.00 0.00 C ATOM 1565 NE ARG A 99 -13.192 11.071 -2.980 1.00 0.00 N ATOM 1566 CZ ARG A 99 -12.950 12.344 -3.269 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -11.721 12.829 -3.165 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -13.940 13.136 -3.662 1.00 0.00 N ATOM 0 H ARG A 99 -10.946 8.952 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.161 7.218 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.378 7.916 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.510 7.670 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.415 10.422 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.789 9.768 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.637 9.246 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.572 10.588 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.149 10.730 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.958 12.224 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.538 13.807 -3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.887 12.767 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.753 14.114 -3.884 1.00 0.00 H new