USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= -0.235 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.725 K(o=-0.96,f=-0.38) USER MOD Set 2.1: A 42 MET CE :methyl 175:sc= -4.55! (180deg=0) USER MOD Set 2.2: A 61 MET CE :methyl -115:sc= -6.16! (180deg=-6.47!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= -1.08 USER MOD Set 3.2: A 64 THR OG1 : rot -86:sc= 0.0627 USER MOD Single : A 21 ASN : amide:sc= -2.77 K(o=-2.8,f=-5.4!) USER MOD Single : A 23 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.035) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= -0.0209 (180deg=-0.868) USER MOD Single : A 31 ASN : amide:sc= -0.821 K(o=-0.82,f=0.72) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.000372 X(o=-0.00037,f=-0.17) USER MOD Single : A 44 THR OG1 : rot 78:sc= 1.11 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.13 USER MOD Single : A 50 THR OG1 : rot 49:sc= 0.391 USER MOD Single : A 57 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.4!) USER MOD Single : A 58 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.5!) USER MOD Single : A 60 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.7!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.48 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -139:sc= -1.66 (180deg=-5.79!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0967) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.100 12.943 0.989 1.00 0.00 N ATOM 178 CA ALA A 16 -4.297 12.003 0.227 1.00 0.00 C ATOM 179 C ALA A 16 -3.941 10.807 1.113 1.00 0.00 C ATOM 180 O ALA A 16 -2.794 10.662 1.534 1.00 0.00 O ATOM 181 CB ALA A 16 -3.057 12.714 -0.319 1.00 0.00 C ATOM 0 HA ALA A 16 -4.858 11.625 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.455 12.008 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.364 13.536 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.467 13.105 0.510 1.00 0.00 H new ATOM 187 N THR A 17 -4.945 9.981 1.369 1.00 0.00 N ATOM 188 CA THR A 17 -4.752 8.803 2.197 1.00 0.00 C ATOM 189 C THR A 17 -5.373 7.575 1.530 1.00 0.00 C ATOM 190 O THR A 17 -6.414 7.676 0.882 1.00 0.00 O ATOM 191 CB THR A 17 -5.329 9.100 3.583 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.450 10.082 4.123 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.195 7.913 4.539 1.00 0.00 C ATOM 0 H THR A 17 -5.895 10.104 1.017 1.00 0.00 H new ATOM 0 HA THR A 17 -3.694 8.570 2.313 1.00 0.00 H new ATOM 0 HB THR A 17 -6.380 9.372 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.752 10.333 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.620 8.176 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.728 7.055 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.142 7.661 4.661 1.00 0.00 H new ATOM 201 N VAL A 18 -4.709 6.443 1.711 1.00 0.00 N ATOM 202 CA VAL A 18 -5.183 5.196 1.135 1.00 0.00 C ATOM 203 C VAL A 18 -4.882 4.047 2.099 1.00 0.00 C ATOM 204 O VAL A 18 -3.962 4.137 2.910 1.00 0.00 O ATOM 205 CB VAL A 18 -4.566 4.992 -0.250 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.037 6.073 -1.225 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.038 4.954 -0.170 1.00 0.00 C ATOM 0 H VAL A 18 -3.846 6.363 2.249 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.263 5.227 0.994 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.906 4.028 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.584 5.905 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.122 6.032 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.741 7.053 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.625 4.808 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.672 5.895 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.728 4.132 0.475 1.00 0.00 H new ATOM 217 N VAL A 19 -5.676 2.992 1.978 1.00 0.00 N ATOM 218 CA VAL A 19 -5.506 1.827 2.828 1.00 0.00 C ATOM 219 C VAL A 19 -4.941 0.673 1.997 1.00 0.00 C ATOM 220 O VAL A 19 -5.511 0.305 0.971 1.00 0.00 O ATOM 221 CB VAL A 19 -6.830 1.480 3.511 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.645 0.348 4.523 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.445 2.714 4.174 1.00 0.00 C ATOM 0 H VAL A 19 -6.438 2.921 1.304 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.791 2.035 3.623 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.522 1.133 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.601 0.121 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.273 -0.540 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.929 0.655 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.385 2.440 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.757 3.105 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.631 3.478 3.419 1.00 0.00 H new ATOM 233 N VAL A 20 -3.828 0.134 2.472 1.00 0.00 N ATOM 234 CA VAL A 20 -3.179 -0.971 1.786 1.00 0.00 C ATOM 235 C VAL A 20 -3.391 -2.258 2.587 1.00 0.00 C ATOM 236 O VAL A 20 -3.309 -2.249 3.814 1.00 0.00 O ATOM 237 CB VAL A 20 -1.702 -0.648 1.553 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.939 -1.885 1.075 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.544 0.509 0.565 1.00 0.00 C ATOM 0 H VAL A 20 -3.359 0.442 3.324 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.623 -1.123 0.802 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.273 -0.337 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.108 -1.628 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.010 -2.670 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.371 -2.240 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.485 0.719 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.997 0.238 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.037 1.396 0.962 1.00 0.00 H new ATOM 249 N ASN A 21 -3.658 -3.332 1.860 1.00 0.00 N ATOM 250 CA ASN A 21 -3.882 -4.624 2.487 1.00 0.00 C ATOM 251 C ASN A 21 -3.275 -5.723 1.612 1.00 0.00 C ATOM 252 O ASN A 21 -2.880 -5.469 0.475 1.00 0.00 O ATOM 253 CB ASN A 21 -5.377 -4.911 2.638 1.00 0.00 C ATOM 254 CG ASN A 21 -5.903 -4.390 3.976 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.391 -4.702 5.039 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.952 -3.579 3.866 1.00 0.00 N ATOM 0 H ASN A 21 -3.724 -3.335 0.842 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.417 -4.606 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.925 -4.443 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.554 -5.984 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.376 -3.178 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.332 -3.358 2.945 1.00 0.00 H new ATOM 263 N LEU A 22 -3.219 -6.920 2.176 1.00 0.00 N ATOM 264 CA LEU A 22 -2.667 -8.059 1.462 1.00 0.00 C ATOM 265 C LEU A 22 -3.799 -9.016 1.084 1.00 0.00 C ATOM 266 O LEU A 22 -4.590 -9.415 1.937 1.00 0.00 O ATOM 267 CB LEU A 22 -1.554 -8.716 2.280 1.00 0.00 C ATOM 268 CG LEU A 22 -0.158 -8.110 2.121 1.00 0.00 C ATOM 269 CD1 LEU A 22 -0.164 -6.620 2.468 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.873 -8.886 2.944 1.00 0.00 C ATOM 0 H LEU A 22 -3.547 -7.126 3.120 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.199 -7.735 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.830 -8.672 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.504 -9.770 2.008 1.00 0.00 H new ATOM 0 HG LEU A 22 0.134 -8.195 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.840 -6.214 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.850 -6.095 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.486 -6.488 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.857 -8.435 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.596 -8.854 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.902 -9.922 2.608 1.00 0.00 H new ATOM 282 N GLN A 23 -3.840 -9.357 -0.196 1.00 0.00 N ATOM 283 CA GLN A 23 -4.862 -10.259 -0.698 1.00 0.00 C ATOM 284 C GLN A 23 -4.709 -11.642 -0.061 1.00 0.00 C ATOM 285 O GLN A 23 -5.670 -12.195 0.471 1.00 0.00 O ATOM 286 CB GLN A 23 -4.812 -10.351 -2.224 1.00 0.00 C ATOM 287 CG GLN A 23 -5.230 -9.026 -2.867 1.00 0.00 C ATOM 288 CD GLN A 23 -6.101 -9.267 -4.102 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.826 -10.118 -4.931 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.164 -8.471 -4.177 1.00 0.00 N ATOM 0 H GLN A 23 -3.181 -9.024 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.838 -9.859 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.803 -10.612 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.471 -11.149 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.778 -8.423 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.343 -8.458 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.335 -7.779 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.808 -8.553 -4.964 1.00 0.00 H new ATOM 299 N SER A 24 -3.492 -12.160 -0.135 1.00 0.00 N ATOM 300 CA SER A 24 -3.200 -13.468 0.428 1.00 0.00 C ATOM 301 C SER A 24 -1.992 -13.377 1.363 1.00 0.00 C ATOM 302 O SER A 24 -0.911 -13.865 1.036 1.00 0.00 O ATOM 303 CB SER A 24 -2.941 -14.497 -0.674 1.00 0.00 C ATOM 304 OG SER A 24 -4.121 -15.217 -1.019 1.00 0.00 O ATOM 0 H SER A 24 -2.697 -11.698 -0.576 1.00 0.00 H new ATOM 0 HA SER A 24 -4.069 -13.797 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.553 -13.991 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.173 -15.196 -0.344 1.00 0.00 H new ATOM 0 HG SER A 24 -3.915 -15.863 -1.727 1.00 0.00 H new ATOM 310 N PRO A 25 -2.222 -12.733 2.539 1.00 0.00 N ATOM 311 CA PRO A 25 -1.166 -12.572 3.523 1.00 0.00 C ATOM 312 C PRO A 25 -0.895 -13.887 4.257 1.00 0.00 C ATOM 313 O PRO A 25 -1.798 -14.706 4.423 1.00 0.00 O ATOM 314 CB PRO A 25 -1.653 -11.466 4.445 1.00 0.00 C ATOM 315 CG PRO A 25 -3.154 -11.370 4.225 1.00 0.00 C ATOM 316 CD PRO A 25 -3.489 -12.142 2.960 1.00 0.00 C ATOM 0 HA PRO A 25 -0.209 -12.305 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.425 -11.696 5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.163 -10.520 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.692 -11.783 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.460 -10.328 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.239 -12.909 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.894 -11.485 2.191 1.00 0.00 H new ATOM 324 N THR A 26 0.351 -14.047 4.677 1.00 0.00 N ATOM 325 CA THR A 26 0.751 -15.249 5.389 1.00 0.00 C ATOM 326 C THR A 26 0.444 -15.111 6.882 1.00 0.00 C ATOM 327 O THR A 26 0.007 -14.054 7.334 1.00 0.00 O ATOM 328 CB THR A 26 2.231 -15.503 5.094 1.00 0.00 C ATOM 329 OG1 THR A 26 2.404 -15.034 3.760 1.00 0.00 O ATOM 330 CG2 THR A 26 2.564 -16.994 5.011 1.00 0.00 C ATOM 0 H THR A 26 1.097 -13.365 4.538 1.00 0.00 H new ATOM 0 HA THR A 26 0.184 -16.116 5.051 1.00 0.00 H new ATOM 0 HB THR A 26 2.841 -15.038 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.288 -15.302 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.626 -17.118 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.324 -17.474 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.979 -17.454 4.214 1.00 0.00 H new ATOM 338 N LEU A 27 0.686 -16.194 7.605 1.00 0.00 N ATOM 339 CA LEU A 27 0.440 -16.208 9.038 1.00 0.00 C ATOM 340 C LEU A 27 1.172 -15.031 9.687 1.00 0.00 C ATOM 341 O LEU A 27 0.681 -14.445 10.650 1.00 0.00 O ATOM 342 CB LEU A 27 0.813 -17.568 9.632 1.00 0.00 C ATOM 343 CG LEU A 27 -0.243 -18.667 9.505 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.408 -20.024 9.230 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.147 -18.705 10.738 1.00 0.00 C ATOM 0 H LEU A 27 1.050 -17.068 7.226 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.622 -16.077 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.728 -17.914 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.041 -17.431 10.689 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.876 -18.434 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.365 -20.788 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.974 -19.974 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.080 -20.278 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.889 -19.495 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.545 -18.901 11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.653 -17.746 10.848 1.00 0.00 H new ATOM 357 N GLU A 28 2.335 -14.721 9.133 1.00 0.00 N ATOM 358 CA GLU A 28 3.140 -13.625 9.646 1.00 0.00 C ATOM 359 C GLU A 28 2.453 -12.287 9.367 1.00 0.00 C ATOM 360 O GLU A 28 2.670 -11.312 10.085 1.00 0.00 O ATOM 361 CB GLU A 28 4.549 -13.654 9.051 1.00 0.00 C ATOM 362 CG GLU A 28 4.497 -13.727 7.524 1.00 0.00 C ATOM 363 CD GLU A 28 5.742 -13.091 6.902 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.347 -12.239 7.588 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.061 -13.471 5.755 1.00 0.00 O ATOM 0 H GLU A 28 2.739 -15.210 8.334 1.00 0.00 H new ATOM 0 HA GLU A 28 3.236 -13.744 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.096 -12.762 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.095 -14.513 9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.420 -14.767 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.604 -13.217 7.162 1.00 0.00 H new ATOM 372 N GLU A 29 1.639 -12.282 8.321 1.00 0.00 N ATOM 373 CA GLU A 29 0.920 -11.080 7.938 1.00 0.00 C ATOM 374 C GLU A 29 -0.457 -11.050 8.604 1.00 0.00 C ATOM 375 O GLU A 29 -0.941 -9.986 8.990 1.00 0.00 O ATOM 376 CB GLU A 29 0.795 -10.977 6.417 1.00 0.00 C ATOM 377 CG GLU A 29 2.112 -10.515 5.788 1.00 0.00 C ATOM 378 CD GLU A 29 2.591 -11.508 4.728 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.742 -11.915 3.906 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.796 -11.838 4.763 1.00 0.00 O ATOM 0 H GLU A 29 1.462 -13.092 7.727 1.00 0.00 H new ATOM 0 HA GLU A 29 1.488 -10.216 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.512 -11.946 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.000 -10.277 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.978 -9.532 5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.872 -10.410 6.562 1.00 0.00 H new ATOM 387 N LYS A 30 -1.049 -12.229 8.719 1.00 0.00 N ATOM 388 CA LYS A 30 -2.361 -12.351 9.332 1.00 0.00 C ATOM 389 C LYS A 30 -2.293 -11.850 10.776 1.00 0.00 C ATOM 390 O LYS A 30 -3.323 -11.579 11.392 1.00 0.00 O ATOM 391 CB LYS A 30 -2.881 -13.784 9.203 1.00 0.00 C ATOM 392 CG LYS A 30 -3.952 -13.883 8.115 1.00 0.00 C ATOM 393 CD LYS A 30 -3.377 -14.490 6.833 1.00 0.00 C ATOM 394 CE LYS A 30 -4.417 -15.360 6.124 1.00 0.00 C ATOM 395 NZ LYS A 30 -5.088 -14.594 5.050 1.00 0.00 N ATOM 0 H LYS A 30 -0.645 -13.109 8.398 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.085 -11.725 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.055 -14.455 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.295 -14.112 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.781 -14.494 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.354 -12.892 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.048 -13.694 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.499 -15.089 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.935 -16.243 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.156 -15.713 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.088 -14.875 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.025 -13.577 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.623 -14.791 4.141 1.00 0.00 H new ATOM 409 N ASN A 31 -1.070 -11.741 11.274 1.00 0.00 N ATOM 410 CA ASN A 31 -0.855 -11.276 12.634 1.00 0.00 C ATOM 411 C ASN A 31 -0.596 -9.769 12.618 1.00 0.00 C ATOM 412 O ASN A 31 -1.238 -9.017 13.350 1.00 0.00 O ATOM 413 CB ASN A 31 0.362 -11.958 13.262 1.00 0.00 C ATOM 414 CG ASN A 31 0.012 -13.366 13.749 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.261 -14.269 12.975 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.033 -13.502 15.072 1.00 0.00 N ATOM 0 H ASN A 31 -0.218 -11.967 10.760 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.744 -11.515 13.217 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.170 -12.012 12.532 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.727 -11.361 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.188 -14.403 15.496 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.270 -12.705 15.663 1.00 0.00 H new ATOM 423 N GLU A 32 0.346 -9.371 11.776 1.00 0.00 N ATOM 424 CA GLU A 32 0.697 -7.966 11.655 1.00 0.00 C ATOM 425 C GLU A 32 1.599 -7.747 10.438 1.00 0.00 C ATOM 426 O GLU A 32 2.485 -8.555 10.164 1.00 0.00 O ATOM 427 CB GLU A 32 1.368 -7.457 12.933 1.00 0.00 C ATOM 428 CG GLU A 32 2.727 -8.126 13.143 1.00 0.00 C ATOM 429 CD GLU A 32 2.769 -8.876 14.476 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.997 -8.198 15.501 1.00 0.00 O ATOM 431 OE2 GLU A 32 2.573 -10.110 14.440 1.00 0.00 O ATOM 0 H GLU A 32 0.877 -9.997 11.171 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.219 -7.393 11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.496 -6.376 12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.724 -7.656 13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.925 -8.819 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.514 -7.373 13.121 1.00 0.00 H new ATOM 438 N PHE A 33 1.341 -6.650 9.741 1.00 0.00 N ATOM 439 CA PHE A 33 2.118 -6.315 8.560 1.00 0.00 C ATOM 440 C PHE A 33 3.618 -6.371 8.856 1.00 0.00 C ATOM 441 O PHE A 33 4.084 -5.791 9.835 1.00 0.00 O ATOM 442 CB PHE A 33 1.742 -4.884 8.168 1.00 0.00 C ATOM 443 CG PHE A 33 1.892 -4.588 6.675 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.126 -4.371 6.146 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.792 -4.543 5.876 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.266 -4.096 4.760 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.932 -4.268 4.490 1.00 0.00 C ATOM 448 CZ PHE A 33 2.166 -4.050 3.961 1.00 0.00 C ATOM 0 H PHE A 33 0.605 -5.982 9.971 1.00 0.00 H new ATOM 0 HA PHE A 33 1.905 -7.026 7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.710 -4.697 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.365 -4.189 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.999 -4.408 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.188 -4.716 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.246 -3.923 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.059 -4.232 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.272 -3.840 2.907 1.00 0.00 H new ATOM 458 N PRO A 34 4.352 -7.095 7.969 1.00 0.00 N ATOM 459 CA PRO A 34 5.790 -7.235 8.125 1.00 0.00 C ATOM 460 C PRO A 34 6.513 -5.947 7.726 1.00 0.00 C ATOM 461 O PRO A 34 6.179 -5.331 6.715 1.00 0.00 O ATOM 462 CB PRO A 34 6.167 -8.422 7.254 1.00 0.00 C ATOM 463 CG PRO A 34 5.011 -8.611 6.285 1.00 0.00 C ATOM 464 CD PRO A 34 3.835 -7.796 6.797 1.00 0.00 C ATOM 0 HA PRO A 34 6.086 -7.408 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.098 -8.234 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.321 -9.316 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.295 -8.285 5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.742 -9.665 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.480 -7.095 6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.993 -8.437 7.058 1.00 0.00 H new ATOM 472 N GLU A 35 7.490 -5.578 8.541 1.00 0.00 N ATOM 473 CA GLU A 35 8.264 -4.375 8.286 1.00 0.00 C ATOM 474 C GLU A 35 9.093 -4.537 7.010 1.00 0.00 C ATOM 475 O GLU A 35 9.336 -3.566 6.295 1.00 0.00 O ATOM 476 CB GLU A 35 9.156 -4.033 9.480 1.00 0.00 C ATOM 477 CG GLU A 35 9.874 -5.279 10.003 1.00 0.00 C ATOM 478 CD GLU A 35 9.295 -5.721 11.348 1.00 0.00 C ATOM 479 OE1 GLU A 35 9.095 -4.830 12.201 1.00 0.00 O ATOM 480 OE2 GLU A 35 9.065 -6.942 11.493 1.00 0.00 O ATOM 0 H GLU A 35 7.764 -6.091 9.379 1.00 0.00 H new ATOM 0 HA GLU A 35 7.572 -3.545 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.890 -3.282 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.553 -3.596 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.780 -6.088 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.938 -5.071 10.112 1.00 0.00 H new ATOM 487 N ASP A 36 9.505 -5.772 6.764 1.00 0.00 N ATOM 488 CA ASP A 36 10.302 -6.074 5.587 1.00 0.00 C ATOM 489 C ASP A 36 9.480 -5.778 4.330 1.00 0.00 C ATOM 490 O ASP A 36 10.038 -5.576 3.253 1.00 0.00 O ATOM 491 CB ASP A 36 10.699 -7.551 5.555 1.00 0.00 C ATOM 492 CG ASP A 36 9.583 -8.529 5.928 1.00 0.00 C ATOM 493 OD1 ASP A 36 9.245 -8.572 7.131 1.00 0.00 O ATOM 494 OD2 ASP A 36 9.094 -9.212 5.003 1.00 0.00 O ATOM 0 H ASP A 36 9.302 -6.575 7.359 1.00 0.00 H new ATOM 0 HA ASP A 36 11.202 -5.459 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.055 -7.794 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.536 -7.701 6.237 1.00 0.00 H new ATOM 499 N LEU A 37 8.168 -5.763 4.510 1.00 0.00 N ATOM 500 CA LEU A 37 7.264 -5.495 3.404 1.00 0.00 C ATOM 501 C LEU A 37 6.926 -4.003 3.377 1.00 0.00 C ATOM 502 O LEU A 37 6.979 -3.370 2.324 1.00 0.00 O ATOM 503 CB LEU A 37 6.035 -6.403 3.485 1.00 0.00 C ATOM 504 CG LEU A 37 6.249 -7.860 3.071 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.913 -8.592 2.931 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.088 -7.950 1.794 1.00 0.00 C ATOM 0 H LEU A 37 7.709 -5.932 5.405 1.00 0.00 H new ATOM 0 HA LEU A 37 7.744 -5.730 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.664 -6.388 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.252 -5.979 2.856 1.00 0.00 H new ATOM 0 HG LEU A 37 6.810 -8.360 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.094 -9.626 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.386 -8.574 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.306 -8.099 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.225 -8.997 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.576 -7.429 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.061 -7.489 1.965 1.00 0.00 H new ATOM 518 N ARG A 38 6.586 -3.485 4.548 1.00 0.00 N ATOM 519 CA ARG A 38 6.239 -2.079 4.671 1.00 0.00 C ATOM 520 C ARG A 38 7.207 -1.220 3.855 1.00 0.00 C ATOM 521 O ARG A 38 6.849 -0.715 2.792 1.00 0.00 O ATOM 522 CB ARG A 38 6.277 -1.629 6.133 1.00 0.00 C ATOM 523 CG ARG A 38 4.890 -1.720 6.771 1.00 0.00 C ATOM 524 CD ARG A 38 4.962 -2.378 8.151 1.00 0.00 C ATOM 525 NE ARG A 38 5.781 -1.550 9.064 1.00 0.00 N ATOM 526 CZ ARG A 38 5.939 -1.804 10.370 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.336 -2.865 10.924 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.700 -0.998 11.122 1.00 0.00 N ATOM 0 H ARG A 38 6.543 -4.013 5.420 1.00 0.00 H new ATOM 0 HA ARG A 38 5.226 -1.953 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.979 -2.250 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.642 -0.604 6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.462 -0.722 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.226 -2.294 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.958 -2.499 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.394 -3.375 8.065 1.00 0.00 H new ATOM 0 HE ARG A 38 6.255 -0.735 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.757 -3.479 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.456 -3.058 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.159 -0.191 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.820 -1.192 12.116 1.00 0.00 H new ATOM 542 N THR A 39 8.414 -1.081 4.383 1.00 0.00 N ATOM 543 CA THR A 39 9.435 -0.291 3.716 1.00 0.00 C ATOM 544 C THR A 39 9.439 -0.582 2.214 1.00 0.00 C ATOM 545 O THR A 39 9.604 0.327 1.403 1.00 0.00 O ATOM 546 CB THR A 39 10.775 -0.582 4.395 1.00 0.00 C ATOM 547 OG1 THR A 39 11.498 0.640 4.274 1.00 0.00 O ATOM 548 CG2 THR A 39 11.619 -1.593 3.616 1.00 0.00 C ATOM 0 H THR A 39 8.708 -1.502 5.264 1.00 0.00 H new ATOM 0 HA THR A 39 9.232 0.776 3.807 1.00 0.00 H new ATOM 0 HB THR A 39 10.597 -0.958 5.403 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.380 0.541 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.559 -1.764 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.074 -2.533 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.826 -1.203 2.619 1.00 0.00 H new ATOM 556 N GLU A 40 9.255 -1.854 1.890 1.00 0.00 N ATOM 557 CA GLU A 40 9.235 -2.277 0.500 1.00 0.00 C ATOM 558 C GLU A 40 8.127 -1.546 -0.261 1.00 0.00 C ATOM 559 O GLU A 40 8.329 -1.111 -1.393 1.00 0.00 O ATOM 560 CB GLU A 40 9.068 -3.793 0.390 1.00 0.00 C ATOM 561 CG GLU A 40 9.976 -4.368 -0.699 1.00 0.00 C ATOM 562 CD GLU A 40 11.451 -4.127 -0.366 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.817 -4.378 0.802 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.177 -3.698 -1.288 1.00 0.00 O ATOM 0 H GLU A 40 9.118 -2.605 2.566 1.00 0.00 H new ATOM 0 HA GLU A 40 10.192 -2.017 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.303 -4.259 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.029 -4.032 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.793 -5.437 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.736 -3.909 -1.658 1.00 0.00 H new ATOM 571 N LEU A 41 6.979 -1.435 0.393 1.00 0.00 N ATOM 572 CA LEU A 41 5.838 -0.765 -0.208 1.00 0.00 C ATOM 573 C LEU A 41 6.060 0.749 -0.164 1.00 0.00 C ATOM 574 O LEU A 41 6.096 1.405 -1.204 1.00 0.00 O ATOM 575 CB LEU A 41 4.539 -1.216 0.461 1.00 0.00 C ATOM 576 CG LEU A 41 3.641 -2.136 -0.369 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.144 -3.580 -0.323 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.181 -2.023 0.074 1.00 0.00 C ATOM 0 H LEU A 41 6.815 -1.798 1.332 1.00 0.00 H new ATOM 0 HA LEU A 41 5.742 -1.043 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.791 -1.728 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.966 -0.329 0.731 1.00 0.00 H new ATOM 0 HG LEU A 41 3.688 -1.812 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.488 -4.213 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.157 -3.626 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.146 -3.932 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.564 -2.687 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.096 -2.306 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.841 -0.995 -0.053 1.00 0.00 H new ATOM 590 N MET A 42 6.202 1.259 1.051 1.00 0.00 N ATOM 591 CA MET A 42 6.419 2.682 1.244 1.00 0.00 C ATOM 592 C MET A 42 7.310 3.256 0.141 1.00 0.00 C ATOM 593 O MET A 42 6.897 4.152 -0.593 1.00 0.00 O ATOM 594 CB MET A 42 7.075 2.918 2.606 1.00 0.00 C ATOM 595 CG MET A 42 6.241 2.304 3.731 1.00 0.00 C ATOM 596 SD MET A 42 4.527 2.765 3.542 1.00 0.00 S ATOM 597 CE MET A 42 3.746 1.188 3.838 1.00 0.00 C ATOM 0 H MET A 42 6.171 0.712 1.911 1.00 0.00 H new ATOM 0 HA MET A 42 5.454 3.186 1.203 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.075 2.484 2.612 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.191 3.988 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.338 1.218 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.613 2.644 4.698 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.663 1.314 3.846 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.025 0.490 3.048 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.072 0.795 4.801 1.00 0.00 H new ATOM 607 N GLN A 43 8.517 2.715 0.058 1.00 0.00 N ATOM 608 CA GLN A 43 9.470 3.162 -0.943 1.00 0.00 C ATOM 609 C GLN A 43 8.895 2.968 -2.348 1.00 0.00 C ATOM 610 O GLN A 43 9.033 3.839 -3.205 1.00 0.00 O ATOM 611 CB GLN A 43 10.807 2.432 -0.792 1.00 0.00 C ATOM 612 CG GLN A 43 10.738 1.031 -1.403 1.00 0.00 C ATOM 613 CD GLN A 43 12.039 0.263 -1.161 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.572 0.224 -0.064 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.519 -0.343 -2.243 1.00 0.00 N ATOM 0 H GLN A 43 8.856 1.971 0.668 1.00 0.00 H new ATOM 0 HA GLN A 43 9.655 4.225 -0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.596 3.006 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.069 2.360 0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.902 0.482 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.550 1.106 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.023 -0.270 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.384 -0.881 -2.185 1.00 0.00 H new ATOM 624 N THR A 44 8.262 1.820 -2.540 1.00 0.00 N ATOM 625 CA THR A 44 7.666 1.500 -3.825 1.00 0.00 C ATOM 626 C THR A 44 6.550 2.493 -4.157 1.00 0.00 C ATOM 627 O THR A 44 6.693 3.315 -5.061 1.00 0.00 O ATOM 628 CB THR A 44 7.192 0.046 -3.778 1.00 0.00 C ATOM 629 OG1 THR A 44 8.398 -0.712 -3.774 1.00 0.00 O ATOM 630 CG2 THR A 44 6.487 -0.382 -5.067 1.00 0.00 C ATOM 0 H THR A 44 8.149 1.100 -1.826 1.00 0.00 H new ATOM 0 HA THR A 44 8.392 1.594 -4.632 1.00 0.00 H new ATOM 0 HB THR A 44 6.517 -0.088 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.793 -0.693 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.171 -1.422 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.614 0.250 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.173 -0.280 -5.908 1.00 0.00 H new ATOM 638 N LEU A 45 5.462 2.383 -3.408 1.00 0.00 N ATOM 639 CA LEU A 45 4.322 3.261 -3.611 1.00 0.00 C ATOM 640 C LEU A 45 4.790 4.717 -3.561 1.00 0.00 C ATOM 641 O LEU A 45 4.348 5.542 -4.360 1.00 0.00 O ATOM 642 CB LEU A 45 3.212 2.937 -2.609 1.00 0.00 C ATOM 643 CG LEU A 45 2.885 1.454 -2.426 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.653 1.269 -1.538 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.727 0.757 -3.778 1.00 0.00 C ATOM 0 H LEU A 45 5.346 1.699 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 45 3.887 3.099 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.493 3.349 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.304 3.453 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 45 3.723 0.980 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.443 0.206 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.841 1.708 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.796 1.761 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.495 -0.296 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.918 1.227 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.656 0.843 -4.342 1.00 0.00 H new ATOM 657 N GLY A 46 5.678 4.988 -2.616 1.00 0.00 N ATOM 658 CA GLY A 46 6.210 6.330 -2.452 1.00 0.00 C ATOM 659 C GLY A 46 6.659 6.910 -3.795 1.00 0.00 C ATOM 660 O GLY A 46 6.393 8.073 -4.094 1.00 0.00 O ATOM 0 H GLY A 46 6.042 4.301 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.451 6.974 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.053 6.309 -1.761 1.00 0.00 H new ATOM 664 N SER A 47 7.334 6.072 -4.569 1.00 0.00 N ATOM 665 CA SER A 47 7.823 6.486 -5.873 1.00 0.00 C ATOM 666 C SER A 47 6.724 7.234 -6.630 1.00 0.00 C ATOM 667 O SER A 47 6.852 8.427 -6.899 1.00 0.00 O ATOM 668 CB SER A 47 8.305 5.284 -6.687 1.00 0.00 C ATOM 669 OG SER A 47 9.539 5.549 -7.350 1.00 0.00 O ATOM 0 H SER A 47 7.554 5.108 -4.318 1.00 0.00 H new ATOM 0 HA SER A 47 8.672 7.154 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.425 4.424 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.547 5.018 -7.424 1.00 0.00 H new ATOM 0 HG SER A 47 9.814 4.757 -7.858 1.00 0.00 H new ATOM 675 N TYR A 48 5.668 6.501 -6.953 1.00 0.00 N ATOM 676 CA TYR A 48 4.547 7.080 -7.675 1.00 0.00 C ATOM 677 C TYR A 48 4.266 8.506 -7.198 1.00 0.00 C ATOM 678 O TYR A 48 4.196 9.432 -8.005 1.00 0.00 O ATOM 679 CB TYR A 48 3.338 6.199 -7.353 1.00 0.00 C ATOM 680 CG TYR A 48 3.249 4.929 -8.202 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.982 3.813 -7.853 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.436 4.901 -9.317 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.898 2.618 -8.652 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.353 3.706 -10.116 1.00 0.00 C ATOM 685 CZ TYR A 48 3.087 2.624 -9.744 1.00 0.00 C ATOM 686 OH TYR A 48 3.008 1.495 -10.499 1.00 0.00 O ATOM 0 H TYR A 48 5.565 5.511 -6.728 1.00 0.00 H new ATOM 0 HA TYR A 48 4.759 7.124 -8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.376 5.918 -6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.428 6.783 -7.494 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.618 3.836 -6.981 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.863 5.775 -9.590 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.466 1.737 -8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.722 3.670 -10.991 1.00 0.00 H new ATOM 0 HH TYR A 48 3.156 0.710 -9.931 1.00 0.00 H new ATOM 696 N GLY A 49 4.113 8.638 -5.888 1.00 0.00 N ATOM 697 CA GLY A 49 3.841 9.936 -5.294 1.00 0.00 C ATOM 698 C GLY A 49 4.924 10.314 -4.282 1.00 0.00 C ATOM 699 O GLY A 49 6.102 10.395 -4.629 1.00 0.00 O ATOM 0 H GLY A 49 4.172 7.868 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.788 10.694 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.869 9.918 -4.802 1.00 0.00 H new ATOM 703 N THR A 50 4.488 10.534 -3.051 1.00 0.00 N ATOM 704 CA THR A 50 5.406 10.902 -1.986 1.00 0.00 C ATOM 705 C THR A 50 4.789 10.596 -0.620 1.00 0.00 C ATOM 706 O THR A 50 3.746 11.145 -0.270 1.00 0.00 O ATOM 707 CB THR A 50 5.778 12.375 -2.169 1.00 0.00 C ATOM 708 OG1 THR A 50 7.104 12.336 -2.689 1.00 0.00 O ATOM 709 CG2 THR A 50 5.921 13.112 -0.836 1.00 0.00 C ATOM 0 H THR A 50 3.511 10.465 -2.767 1.00 0.00 H new ATOM 0 HA THR A 50 6.322 10.313 -2.033 1.00 0.00 H new ATOM 0 HB THR A 50 5.020 12.869 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.142 11.709 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.186 14.153 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.977 13.069 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.703 12.640 -0.241 1.00 0.00 H new ATOM 717 N ILE A 51 5.460 9.720 0.114 1.00 0.00 N ATOM 718 CA ILE A 51 4.990 9.335 1.434 1.00 0.00 C ATOM 719 C ILE A 51 5.085 10.537 2.375 1.00 0.00 C ATOM 720 O ILE A 51 6.179 10.930 2.777 1.00 0.00 O ATOM 721 CB ILE A 51 5.746 8.102 1.933 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.524 6.908 1.002 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.371 7.777 3.380 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.123 6.321 1.188 1.00 0.00 C ATOM 0 H ILE A 51 6.325 9.266 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 51 3.941 9.043 1.395 1.00 0.00 H new ATOM 0 HB ILE A 51 6.812 8.327 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.657 7.220 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.273 6.142 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.922 6.897 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.622 8.623 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.301 7.580 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.991 5.474 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.002 5.988 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.377 7.083 0.963 1.00 0.00 H new ATOM 736 N VAL A 52 3.924 11.087 2.700 1.00 0.00 N ATOM 737 CA VAL A 52 3.862 12.236 3.587 1.00 0.00 C ATOM 738 C VAL A 52 3.646 11.756 5.023 1.00 0.00 C ATOM 739 O VAL A 52 3.927 12.483 5.974 1.00 0.00 O ATOM 740 CB VAL A 52 2.778 13.206 3.111 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.001 13.604 1.651 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.383 12.611 3.311 1.00 0.00 C ATOM 0 H VAL A 52 3.019 10.758 2.365 1.00 0.00 H new ATOM 0 HA VAL A 52 4.803 12.785 3.567 1.00 0.00 H new ATOM 0 HB VAL A 52 2.847 14.109 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.217 14.294 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.972 14.089 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.973 12.714 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.632 13.321 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.297 11.685 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.225 12.403 4.369 1.00 0.00 H new ATOM 752 N LEU A 53 3.147 10.533 5.136 1.00 0.00 N ATOM 753 CA LEU A 53 2.890 9.947 6.440 1.00 0.00 C ATOM 754 C LEU A 53 2.276 8.557 6.258 1.00 0.00 C ATOM 755 O LEU A 53 1.581 8.306 5.274 1.00 0.00 O ATOM 756 CB LEU A 53 2.037 10.889 7.292 1.00 0.00 C ATOM 757 CG LEU A 53 1.183 10.226 8.374 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.017 9.919 9.620 1.00 0.00 C ATOM 759 CD2 LEU A 53 -0.045 11.078 8.702 1.00 0.00 C ATOM 0 H LEU A 53 2.914 9.932 4.345 1.00 0.00 H new ATOM 0 HA LEU A 53 3.823 9.815 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.697 11.612 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.378 11.449 6.629 1.00 0.00 H new ATOM 0 HG LEU A 53 0.820 9.274 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.386 9.448 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.831 9.244 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.429 10.846 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.635 10.584 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.276 12.056 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.652 11.202 7.805 1.00 0.00 H new ATOM 771 N VAL A 54 2.555 7.691 7.221 1.00 0.00 N ATOM 772 CA VAL A 54 2.038 6.334 7.179 1.00 0.00 C ATOM 773 C VAL A 54 1.589 5.920 8.582 1.00 0.00 C ATOM 774 O VAL A 54 2.168 6.355 9.576 1.00 0.00 O ATOM 775 CB VAL A 54 3.089 5.393 6.585 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.519 5.859 5.193 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.295 5.261 7.517 1.00 0.00 C ATOM 0 H VAL A 54 3.132 7.903 8.035 1.00 0.00 H new ATOM 0 HA VAL A 54 1.165 6.277 6.529 1.00 0.00 H new ATOM 0 HB VAL A 54 2.636 4.407 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.266 5.173 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.653 5.877 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.945 6.860 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.027 4.587 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.748 6.241 7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.970 4.861 8.477 1.00 0.00 H new ATOM 787 N ARG A 55 0.562 5.085 8.617 1.00 0.00 N ATOM 788 CA ARG A 55 0.028 4.607 9.881 1.00 0.00 C ATOM 789 C ARG A 55 -0.429 3.153 9.750 1.00 0.00 C ATOM 790 O ARG A 55 -1.388 2.862 9.037 1.00 0.00 O ATOM 791 CB ARG A 55 -1.152 5.466 10.340 1.00 0.00 C ATOM 792 CG ARG A 55 -1.373 5.333 11.849 1.00 0.00 C ATOM 793 CD ARG A 55 -2.865 5.342 12.187 1.00 0.00 C ATOM 794 NE ARG A 55 -3.058 5.689 13.613 1.00 0.00 N ATOM 795 CZ ARG A 55 -2.848 6.910 14.124 1.00 0.00 C ATOM 796 NH1 ARG A 55 -2.437 7.907 13.330 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.049 7.133 15.430 1.00 0.00 N ATOM 0 H ARG A 55 0.085 4.727 7.790 1.00 0.00 H new ATOM 0 HA ARG A 55 0.823 4.675 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.967 6.510 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.055 5.164 9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.921 4.408 12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.874 6.152 12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.385 6.062 11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.299 4.364 11.980 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.370 4.953 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.284 7.737 12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.277 8.836 13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.362 6.374 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.889 8.062 15.819 1.00 0.00 H new ATOM 811 N ILE A 56 0.281 2.278 10.447 1.00 0.00 N ATOM 812 CA ILE A 56 -0.040 0.861 10.417 1.00 0.00 C ATOM 813 C ILE A 56 -1.268 0.602 11.292 1.00 0.00 C ATOM 814 O ILE A 56 -1.263 0.913 12.482 1.00 0.00 O ATOM 815 CB ILE A 56 1.181 0.027 10.809 1.00 0.00 C ATOM 816 CG1 ILE A 56 2.111 -0.181 9.611 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.759 -1.300 11.444 1.00 0.00 C ATOM 818 CD1 ILE A 56 1.710 -1.425 8.816 1.00 0.00 C ATOM 0 H ILE A 56 1.077 2.523 11.036 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.298 0.550 9.405 1.00 0.00 H new ATOM 0 HB ILE A 56 1.744 0.579 11.562 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.078 0.695 8.964 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.139 -0.282 9.958 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.646 -1.873 11.713 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.169 -1.104 12.339 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.161 -1.870 10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.386 -1.550 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.768 -2.303 9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.690 -1.310 8.450 1.00 0.00 H new ATOM 830 N ASN A 57 -2.290 0.035 10.669 1.00 0.00 N ATOM 831 CA ASN A 57 -3.522 -0.270 11.376 1.00 0.00 C ATOM 832 C ASN A 57 -3.482 -1.721 11.861 1.00 0.00 C ATOM 833 O ASN A 57 -2.980 -2.599 11.161 1.00 0.00 O ATOM 834 CB ASN A 57 -4.737 -0.112 10.459 1.00 0.00 C ATOM 835 CG ASN A 57 -5.667 0.992 10.967 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.399 2.174 10.835 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.772 0.540 11.553 1.00 0.00 N ATOM 0 H ASN A 57 -2.290 -0.221 9.682 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.609 0.422 12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.406 0.123 9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.281 -1.055 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.457 1.197 11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.934 -0.464 11.630 1.00 0.00 H new ATOM 844 N GLN A 58 -4.017 -1.927 13.055 1.00 0.00 N ATOM 845 CA GLN A 58 -4.048 -3.256 13.642 1.00 0.00 C ATOM 846 C GLN A 58 -4.123 -4.319 12.544 1.00 0.00 C ATOM 847 O GLN A 58 -3.440 -5.339 12.615 1.00 0.00 O ATOM 848 CB GLN A 58 -5.216 -3.396 14.621 1.00 0.00 C ATOM 849 CG GLN A 58 -4.919 -2.672 15.935 1.00 0.00 C ATOM 850 CD GLN A 58 -6.206 -2.152 16.578 1.00 0.00 C ATOM 851 OE1 GLN A 58 -7.261 -2.106 15.967 1.00 0.00 O ATOM 852 NE2 GLN A 58 -6.061 -1.764 17.842 1.00 0.00 N ATOM 0 H GLN A 58 -4.433 -1.196 13.632 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.126 -3.406 14.204 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.122 -2.987 14.173 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.406 -4.451 14.818 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.414 -3.351 16.622 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.239 -1.840 15.750 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.149 -1.829 18.294 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.862 -1.401 18.359 1.00 0.00 H new ATOM 861 N GLY A 59 -4.959 -4.044 11.554 1.00 0.00 N ATOM 862 CA GLY A 59 -5.132 -4.964 10.442 1.00 0.00 C ATOM 863 C GLY A 59 -5.287 -4.206 9.122 1.00 0.00 C ATOM 864 O GLY A 59 -6.194 -4.491 8.342 1.00 0.00 O ATOM 0 H GLY A 59 -5.524 -3.197 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.274 -5.633 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.010 -5.586 10.613 1.00 0.00 H new ATOM 868 N GLN A 60 -4.387 -3.256 8.913 1.00 0.00 N ATOM 869 CA GLN A 60 -4.413 -2.456 7.701 1.00 0.00 C ATOM 870 C GLN A 60 -3.175 -1.559 7.631 1.00 0.00 C ATOM 871 O GLN A 60 -2.335 -1.583 8.530 1.00 0.00 O ATOM 872 CB GLN A 60 -5.696 -1.626 7.618 1.00 0.00 C ATOM 873 CG GLN A 60 -6.765 -2.350 6.799 1.00 0.00 C ATOM 874 CD GLN A 60 -7.997 -2.657 7.653 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.346 -1.929 8.569 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.634 -3.771 7.304 1.00 0.00 N ATOM 0 H GLN A 60 -3.636 -3.023 9.562 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.400 -3.130 6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.072 -1.431 8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.479 -0.659 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.053 -1.735 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.355 -3.277 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.288 -4.334 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.468 -4.062 7.813 1.00 0.00 H new ATOM 885 N MET A 61 -3.100 -0.790 6.554 1.00 0.00 N ATOM 886 CA MET A 61 -1.979 0.112 6.355 1.00 0.00 C ATOM 887 C MET A 61 -2.443 1.439 5.752 1.00 0.00 C ATOM 888 O MET A 61 -2.718 1.519 4.555 1.00 0.00 O ATOM 889 CB MET A 61 -0.956 -0.542 5.424 1.00 0.00 C ATOM 890 CG MET A 61 0.467 -0.113 5.785 1.00 0.00 C ATOM 891 SD MET A 61 0.547 1.662 5.950 1.00 0.00 S ATOM 892 CE MET A 61 2.284 1.863 6.308 1.00 0.00 C ATOM 0 H MET A 61 -3.798 -0.773 5.810 1.00 0.00 H new ATOM 0 HA MET A 61 -1.524 0.315 7.324 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.040 -1.627 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.171 -0.268 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.773 -0.587 6.718 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.162 -0.446 5.015 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.404 2.257 7.317 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.785 0.898 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.725 2.557 5.592 1.00 0.00 H new ATOM 902 N LEU A 62 -2.517 2.448 6.608 1.00 0.00 N ATOM 903 CA LEU A 62 -2.944 3.767 6.174 1.00 0.00 C ATOM 904 C LEU A 62 -1.743 4.525 5.606 1.00 0.00 C ATOM 905 O LEU A 62 -0.923 5.051 6.358 1.00 0.00 O ATOM 906 CB LEU A 62 -3.652 4.503 7.314 1.00 0.00 C ATOM 907 CG LEU A 62 -5.180 4.439 7.306 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.704 3.678 8.526 1.00 0.00 C ATOM 909 CD2 LEU A 62 -5.787 5.839 7.200 1.00 0.00 C ATOM 0 H LEU A 62 -2.288 2.378 7.600 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.679 3.685 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.296 4.095 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.352 5.550 7.286 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.493 3.884 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.793 3.647 8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.312 2.661 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.381 4.183 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.874 5.765 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.467 6.440 8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.453 6.312 6.276 1.00 0.00 H new ATOM 921 N VAL A 63 -1.676 4.558 4.283 1.00 0.00 N ATOM 922 CA VAL A 63 -0.589 5.243 3.605 1.00 0.00 C ATOM 923 C VAL A 63 -1.075 6.612 3.125 1.00 0.00 C ATOM 924 O VAL A 63 -2.112 6.712 2.471 1.00 0.00 O ATOM 925 CB VAL A 63 -0.046 4.370 2.471 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.157 5.032 1.797 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.311 2.971 2.979 1.00 0.00 C ATOM 0 H VAL A 63 -2.357 4.121 3.662 1.00 0.00 H new ATOM 0 HA VAL A 63 0.241 5.415 4.291 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.832 4.265 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.523 4.391 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.858 5.995 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.948 5.182 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.694 2.371 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.072 3.049 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.579 2.495 3.391 1.00 0.00 H new ATOM 937 N THR A 64 -0.302 7.632 3.467 1.00 0.00 N ATOM 938 CA THR A 64 -0.641 8.991 3.079 1.00 0.00 C ATOM 939 C THR A 64 0.360 9.516 2.048 1.00 0.00 C ATOM 940 O THR A 64 1.566 9.331 2.198 1.00 0.00 O ATOM 941 CB THR A 64 -0.709 9.842 4.348 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.577 9.111 5.211 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.438 11.169 4.125 1.00 0.00 C ATOM 0 H THR A 64 0.558 7.545 4.008 1.00 0.00 H new ATOM 0 HA THR A 64 -1.615 9.032 2.591 1.00 0.00 H new ATOM 0 HB THR A 64 0.301 10.038 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.507 9.352 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.458 11.734 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.917 11.747 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.459 10.973 3.798 1.00 0.00 H new ATOM 951 N PHE A 65 -0.178 10.162 1.024 1.00 0.00 N ATOM 952 CA PHE A 65 0.652 10.716 -0.032 1.00 0.00 C ATOM 953 C PHE A 65 0.548 12.241 -0.069 1.00 0.00 C ATOM 954 O PHE A 65 -0.087 12.845 0.795 1.00 0.00 O ATOM 955 CB PHE A 65 0.132 10.149 -1.354 1.00 0.00 C ATOM 956 CG PHE A 65 0.442 8.664 -1.560 1.00 0.00 C ATOM 957 CD1 PHE A 65 -0.378 7.719 -1.029 1.00 0.00 C ATOM 958 CD2 PHE A 65 1.538 8.291 -2.274 1.00 0.00 C ATOM 959 CE1 PHE A 65 -0.091 6.341 -1.220 1.00 0.00 C ATOM 960 CE2 PHE A 65 1.825 6.914 -2.465 1.00 0.00 C ATOM 961 CZ PHE A 65 1.005 5.968 -1.934 1.00 0.00 C ATOM 0 H PHE A 65 -1.179 10.314 0.903 1.00 0.00 H new ATOM 0 HA PHE A 65 1.696 10.454 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.947 10.294 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.565 10.718 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.248 8.016 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.190 9.042 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.743 5.590 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.695 6.618 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.224 4.920 -2.079 1.00 0.00 H new ATOM 971 N ALA A 66 1.180 12.822 -1.078 1.00 0.00 N ATOM 972 CA ALA A 66 1.166 14.266 -1.238 1.00 0.00 C ATOM 973 C ALA A 66 -0.026 14.666 -2.109 1.00 0.00 C ATOM 974 O ALA A 66 -0.802 15.546 -1.739 1.00 0.00 O ATOM 975 CB ALA A 66 2.500 14.727 -1.829 1.00 0.00 C ATOM 0 H ALA A 66 1.705 12.319 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 66 1.049 14.758 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.490 15.810 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.312 14.444 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.650 14.256 -2.800 1.00 0.00 H new ATOM 981 N ASP A 67 -0.135 14.001 -3.250 1.00 0.00 N ATOM 982 CA ASP A 67 -1.220 14.277 -4.176 1.00 0.00 C ATOM 983 C ASP A 67 -2.306 13.212 -4.015 1.00 0.00 C ATOM 984 O ASP A 67 -2.075 12.173 -3.397 1.00 0.00 O ATOM 985 CB ASP A 67 -0.730 14.236 -5.625 1.00 0.00 C ATOM 986 CG ASP A 67 -0.292 15.586 -6.198 1.00 0.00 C ATOM 987 OD1 ASP A 67 0.406 16.315 -5.461 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.665 15.858 -7.360 1.00 0.00 O ATOM 0 H ASP A 67 0.510 13.272 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.609 15.271 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.108 13.542 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.527 13.834 -6.251 1.00 0.00 H new ATOM 993 N SER A 68 -3.468 13.506 -4.580 1.00 0.00 N ATOM 994 CA SER A 68 -4.590 12.586 -4.506 1.00 0.00 C ATOM 995 C SER A 68 -4.520 11.581 -5.657 1.00 0.00 C ATOM 996 O SER A 68 -4.664 10.378 -5.445 1.00 0.00 O ATOM 997 CB SER A 68 -5.922 13.339 -4.539 1.00 0.00 C ATOM 998 OG SER A 68 -6.148 13.969 -5.797 1.00 0.00 O ATOM 0 H SER A 68 -3.657 14.368 -5.091 1.00 0.00 H new ATOM 0 HA SER A 68 -4.530 12.049 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.736 12.645 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.933 14.091 -3.750 1.00 0.00 H new ATOM 0 HG SER A 68 -7.009 14.437 -5.778 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.299 12.111 -6.851 1.00 0.00 N ATOM 1005 CA HIS A 69 -4.208 11.276 -8.036 1.00 0.00 C ATOM 1006 C HIS A 69 -3.154 10.188 -7.818 1.00 0.00 C ATOM 1007 O HIS A 69 -3.337 9.048 -8.240 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.935 12.124 -9.280 1.00 0.00 C ATOM 1009 CG HIS A 69 -4.628 13.466 -9.271 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -4.061 14.605 -9.816 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.844 13.838 -8.780 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -4.907 15.612 -9.654 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -6.012 15.135 -9.011 1.00 0.00 N ATOM 0 H HIS A 69 -4.180 13.109 -7.023 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.163 10.780 -8.208 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.860 12.282 -9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.252 11.569 -10.163 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.551 13.188 -8.287 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.750 16.631 -9.975 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.831 15.684 -8.751 1.00 0.00 H new ATOM 1021 N SER A 70 -2.073 10.580 -7.158 1.00 0.00 N ATOM 1022 CA SER A 70 -0.990 9.654 -6.879 1.00 0.00 C ATOM 1023 C SER A 70 -1.553 8.338 -6.338 1.00 0.00 C ATOM 1024 O SER A 70 -1.225 7.265 -6.841 1.00 0.00 O ATOM 1025 CB SER A 70 0.005 10.254 -5.883 1.00 0.00 C ATOM 1026 OG SER A 70 0.673 11.394 -6.418 1.00 0.00 O ATOM 0 H SER A 70 -1.925 11.527 -6.809 1.00 0.00 H new ATOM 0 HA SER A 70 -0.458 9.459 -7.810 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.521 10.536 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.741 9.499 -5.606 1.00 0.00 H new ATOM 0 HG SER A 70 1.298 11.749 -5.752 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.392 8.464 -5.320 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.004 7.299 -4.706 1.00 0.00 C ATOM 1034 C ALA A 71 -3.839 6.556 -5.751 1.00 0.00 C ATOM 1035 O ALA A 71 -3.629 5.368 -5.989 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.836 7.736 -3.498 1.00 0.00 C ATOM 0 H ALA A 71 -2.662 9.356 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.240 6.610 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.295 6.862 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.191 8.232 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.615 8.426 -3.823 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.770 7.287 -6.346 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.638 6.712 -7.360 1.00 0.00 C ATOM 1044 C LEU A 72 -4.793 5.920 -8.359 1.00 0.00 C ATOM 1045 O LEU A 72 -5.166 4.817 -8.757 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.498 7.799 -8.009 1.00 0.00 C ATOM 1047 CG LEU A 72 -6.165 8.139 -9.463 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.782 7.117 -10.420 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.588 9.570 -9.802 1.00 0.00 C ATOM 0 H LEU A 72 -4.942 8.272 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.339 6.011 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.541 7.487 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.409 8.708 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.084 8.085 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.530 7.382 -11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.391 6.125 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.865 7.115 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.340 9.786 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.663 9.676 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.063 10.269 -9.151 1.00 0.00 H new ATOM 1061 N SER A 73 -3.669 6.512 -8.735 1.00 0.00 N ATOM 1062 CA SER A 73 -2.767 5.875 -9.680 1.00 0.00 C ATOM 1063 C SER A 73 -2.230 4.568 -9.092 1.00 0.00 C ATOM 1064 O SER A 73 -1.953 3.621 -9.826 1.00 0.00 O ATOM 1065 CB SER A 73 -1.610 6.805 -10.051 1.00 0.00 C ATOM 1066 OG SER A 73 -1.753 7.338 -11.364 1.00 0.00 O ATOM 0 H SER A 73 -3.362 7.426 -8.402 1.00 0.00 H new ATOM 0 HA SER A 73 -3.326 5.654 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.557 7.622 -9.332 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.669 6.259 -9.982 1.00 0.00 H new ATOM 0 HG SER A 73 -0.996 7.928 -11.562 1.00 0.00 H new ATOM 1072 N VAL A 74 -2.100 4.560 -7.773 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.602 3.385 -7.078 1.00 0.00 C ATOM 1074 C VAL A 74 -2.739 2.376 -6.910 1.00 0.00 C ATOM 1075 O VAL A 74 -2.504 1.169 -6.879 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.965 3.795 -5.749 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.516 2.567 -4.954 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.202 4.759 -5.974 1.00 0.00 C ATOM 0 H VAL A 74 -2.331 5.348 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.821 2.899 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.721 4.316 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.067 2.887 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.378 1.932 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.217 2.006 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.637 5.035 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.960 4.275 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.158 5.655 -6.479 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.949 2.908 -6.807 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.123 2.069 -6.642 1.00 0.00 C ATOM 1090 C LEU A 75 -5.162 1.028 -7.763 1.00 0.00 C ATOM 1091 O LEU A 75 -5.786 -0.023 -7.618 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.387 2.927 -6.556 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.772 3.416 -5.159 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -5.696 4.341 -4.586 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -8.151 4.079 -5.170 1.00 0.00 C ATOM 0 H LEU A 75 -4.141 3.909 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.071 1.523 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.256 3.796 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.220 2.353 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.837 2.550 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.994 4.674 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.751 3.802 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.575 5.206 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.400 4.417 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.139 4.933 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.898 3.360 -5.506 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.487 1.356 -8.855 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.437 0.462 -10.000 1.00 0.00 C ATOM 1109 C ASP A 76 -3.205 -0.438 -9.885 1.00 0.00 C ATOM 1110 O ASP A 76 -3.176 -1.531 -10.448 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.327 1.249 -11.308 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.578 1.217 -12.188 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.602 0.690 -11.701 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -5.483 1.720 -13.328 1.00 0.00 O ATOM 0 H ASP A 76 -3.970 2.228 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.354 -0.127 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.094 2.287 -11.072 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.487 0.856 -11.881 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.218 0.055 -9.152 1.00 0.00 N ATOM 1120 CA VAL A 77 -0.986 -0.691 -8.956 1.00 0.00 C ATOM 1121 C VAL A 77 -1.269 -1.911 -8.077 1.00 0.00 C ATOM 1122 O VAL A 77 -0.405 -2.770 -7.905 1.00 0.00 O ATOM 1123 CB VAL A 77 0.094 0.225 -8.377 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.418 -0.524 -8.213 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.274 1.475 -9.241 1.00 0.00 C ATOM 0 H VAL A 77 -2.246 0.962 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.605 -1.058 -9.909 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.234 0.546 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.168 0.150 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.277 -1.368 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.753 -0.888 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.047 2.109 -8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.568 1.182 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.665 2.026 -9.284 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.482 -1.949 -7.545 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.889 -3.050 -6.688 1.00 0.00 C ATOM 1137 C ASP A 78 -2.307 -4.356 -7.233 1.00 0.00 C ATOM 1138 O ASP A 78 -1.621 -5.081 -6.514 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.412 -3.188 -6.656 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.928 -4.614 -6.448 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.658 -5.450 -7.337 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.580 -4.835 -5.405 1.00 0.00 O ATOM 0 H ASP A 78 -3.196 -1.235 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.524 -2.847 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.802 -2.556 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.816 -2.804 -7.593 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.603 -4.617 -8.498 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.117 -5.823 -9.147 1.00 0.00 C ATOM 1149 C GLY A 79 -0.707 -6.174 -8.667 1.00 0.00 C ATOM 1150 O GLY A 79 -0.358 -7.348 -8.562 1.00 0.00 O ATOM 0 H GLY A 79 -3.173 -4.014 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.793 -6.651 -8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.112 -5.682 -10.228 1.00 0.00 H new ATOM 1154 N MET A 80 0.065 -5.133 -8.390 1.00 0.00 N ATOM 1155 CA MET A 80 1.429 -5.317 -7.924 1.00 0.00 C ATOM 1156 C MET A 80 1.524 -6.498 -6.956 1.00 0.00 C ATOM 1157 O MET A 80 0.640 -6.695 -6.123 1.00 0.00 O ATOM 1158 CB MET A 80 1.905 -4.043 -7.223 1.00 0.00 C ATOM 1159 CG MET A 80 3.161 -4.311 -6.392 1.00 0.00 C ATOM 1160 SD MET A 80 4.303 -2.949 -6.555 1.00 0.00 S ATOM 1161 CE MET A 80 3.405 -1.684 -5.672 1.00 0.00 C ATOM 0 H MET A 80 -0.228 -4.160 -8.479 1.00 0.00 H new ATOM 0 HA MET A 80 2.062 -5.527 -8.786 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.113 -3.272 -7.965 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.113 -3.661 -6.579 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.892 -4.447 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.635 -5.235 -6.722 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.492 -0.737 -6.205 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.354 -1.966 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.820 -1.576 -4.670 1.00 0.00 H new ATOM 1171 N LYS A 81 2.603 -7.253 -7.098 1.00 0.00 N ATOM 1172 CA LYS A 81 2.825 -8.409 -6.246 1.00 0.00 C ATOM 1173 C LYS A 81 4.169 -8.260 -5.531 1.00 0.00 C ATOM 1174 O LYS A 81 5.198 -8.055 -6.173 1.00 0.00 O ATOM 1175 CB LYS A 81 2.698 -9.702 -7.055 1.00 0.00 C ATOM 1176 CG LYS A 81 1.240 -10.162 -7.129 1.00 0.00 C ATOM 1177 CD LYS A 81 0.882 -10.620 -8.544 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.613 -10.924 -8.660 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.831 -12.162 -9.442 1.00 0.00 N ATOM 0 H LYS A 81 3.333 -7.087 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 81 2.058 -8.466 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.085 -9.545 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.306 -10.482 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.076 -10.979 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.582 -9.347 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.156 -9.846 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.458 -11.509 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.046 -11.034 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.124 -10.089 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.851 -12.354 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.435 -12.044 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.360 -12.959 -8.968 1.00 0.00 H new ATOM 1193 N VAL A 82 4.116 -8.370 -4.212 1.00 0.00 N ATOM 1194 CA VAL A 82 5.317 -8.250 -3.402 1.00 0.00 C ATOM 1195 C VAL A 82 5.672 -9.619 -2.817 1.00 0.00 C ATOM 1196 O VAL A 82 4.890 -10.197 -2.064 1.00 0.00 O ATOM 1197 CB VAL A 82 5.121 -7.175 -2.332 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.685 -7.182 -1.804 1.00 0.00 C ATOM 1199 CG2 VAL A 82 6.126 -7.348 -1.190 1.00 0.00 C ATOM 0 H VAL A 82 3.260 -8.541 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 82 6.160 -7.930 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 82 5.303 -6.205 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.573 -6.408 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.995 -6.988 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.463 -8.155 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.965 -6.571 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.990 -8.327 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.140 -7.269 -1.582 1.00 0.00 H new ATOM 1209 N LYS A 83 6.851 -10.097 -3.187 1.00 0.00 N ATOM 1210 CA LYS A 83 7.318 -11.387 -2.708 1.00 0.00 C ATOM 1211 C LYS A 83 6.324 -12.472 -3.127 1.00 0.00 C ATOM 1212 O LYS A 83 6.169 -13.477 -2.435 1.00 0.00 O ATOM 1213 CB LYS A 83 7.576 -11.338 -1.201 1.00 0.00 C ATOM 1214 CG LYS A 83 9.075 -11.264 -0.903 1.00 0.00 C ATOM 1215 CD LYS A 83 9.329 -10.717 0.503 1.00 0.00 C ATOM 1216 CE LYS A 83 10.799 -10.331 0.684 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.600 -11.512 1.076 1.00 0.00 N ATOM 0 H LYS A 83 7.496 -9.615 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 83 8.276 -11.638 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.073 -10.472 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.151 -12.222 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.517 -12.256 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.565 -10.626 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.697 -9.847 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.052 -11.467 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.188 -9.912 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.887 -9.556 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.595 -11.233 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.238 -11.895 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.531 -12.240 0.336 1.00 0.00 H new ATOM 1231 N GLY A 84 5.676 -12.232 -4.257 1.00 0.00 N ATOM 1232 CA GLY A 84 4.701 -13.177 -4.776 1.00 0.00 C ATOM 1233 C GLY A 84 3.330 -12.957 -4.135 1.00 0.00 C ATOM 1234 O GLY A 84 2.332 -13.514 -4.589 1.00 0.00 O ATOM 0 H GLY A 84 5.807 -11.397 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.623 -13.067 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.038 -14.196 -4.583 1.00 0.00 H new ATOM 1238 N ARG A 85 3.324 -12.143 -3.089 1.00 0.00 N ATOM 1239 CA ARG A 85 2.092 -11.842 -2.381 1.00 0.00 C ATOM 1240 C ARG A 85 1.342 -10.706 -3.079 1.00 0.00 C ATOM 1241 O ARG A 85 1.904 -9.636 -3.310 1.00 0.00 O ATOM 1242 CB ARG A 85 2.373 -11.443 -0.931 1.00 0.00 C ATOM 1243 CG ARG A 85 3.012 -12.598 -0.158 1.00 0.00 C ATOM 1244 CD ARG A 85 2.608 -12.561 1.317 1.00 0.00 C ATOM 1245 NE ARG A 85 3.807 -12.381 2.166 1.00 0.00 N ATOM 1246 CZ ARG A 85 4.806 -13.270 2.253 1.00 0.00 C ATOM 1247 NH1 ARG A 85 4.755 -14.407 1.546 1.00 0.00 N ATOM 1248 NH2 ARG A 85 5.855 -13.023 3.049 1.00 0.00 N ATOM 0 H ARG A 85 4.154 -11.683 -2.715 1.00 0.00 H new ATOM 0 HA ARG A 85 1.479 -12.743 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.034 -10.577 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.444 -11.146 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.707 -13.547 -0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.097 -12.541 -0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.905 -11.746 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.097 -13.486 1.586 1.00 0.00 H new ATOM 0 HE ARG A 85 3.877 -11.527 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.956 -14.596 0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.516 -15.083 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.893 -12.158 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.615 -13.700 3.115 1.00 0.00 H new ATOM 1262 N ALA A 86 0.084 -10.977 -3.396 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.749 -9.991 -4.064 1.00 0.00 C ATOM 1264 C ALA A 86 -1.233 -8.962 -3.040 1.00 0.00 C ATOM 1265 O ALA A 86 -1.859 -9.320 -2.043 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.906 -10.696 -4.774 1.00 0.00 C ATOM 0 H ALA A 86 -0.379 -11.865 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.178 -9.457 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.530 -9.956 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.509 -11.395 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.504 -11.240 -4.043 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.925 -7.704 -3.322 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.321 -6.621 -2.438 1.00 0.00 C ATOM 1274 C VAL A 87 -2.590 -5.963 -2.982 1.00 0.00 C ATOM 1275 O VAL A 87 -3.006 -6.243 -4.105 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.163 -5.636 -2.266 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.133 -4.904 -3.577 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.450 -4.644 -1.137 1.00 0.00 C ATOM 0 H VAL A 87 -0.406 -7.411 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.554 -7.004 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 87 0.725 -6.207 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.960 -4.210 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.402 -5.629 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.752 -4.351 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.389 -3.955 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.355 -4.082 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.588 -5.187 -0.202 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.170 -5.100 -2.160 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.384 -4.400 -2.545 1.00 0.00 C ATOM 1290 C LYS A 88 -4.354 -2.983 -1.969 1.00 0.00 C ATOM 1291 O LYS A 88 -4.155 -2.801 -0.769 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.619 -5.204 -2.136 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.902 -4.412 -2.401 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.010 -5.325 -2.931 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.363 -4.611 -2.913 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.886 -4.527 -1.531 1.00 0.00 N ATOM 0 H LYS A 88 -2.822 -4.870 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.441 -4.303 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.646 -6.143 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.557 -5.459 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.232 -3.929 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.702 -3.620 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.773 -5.638 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.063 -6.229 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.258 -3.609 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.072 -5.146 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.887 -4.245 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.799 -5.455 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.341 -3.822 -0.996 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.555 -2.015 -2.852 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.554 -0.620 -2.446 1.00 0.00 C ATOM 1312 C ILE A 89 -5.957 -0.038 -2.634 1.00 0.00 C ATOM 1313 O ILE A 89 -6.547 -0.165 -3.705 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.463 0.153 -3.189 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.092 -0.491 -2.975 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.470 1.630 -2.792 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.433 -0.837 -4.312 1.00 0.00 C ATOM 0 H ILE A 89 -4.720 -2.170 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.311 -0.531 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.678 0.105 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.450 0.189 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.200 -1.394 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.685 2.156 -3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.437 2.068 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.293 1.720 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.460 -1.293 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.065 -1.536 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.304 0.072 -4.900 1.00 0.00 H new ATOM 1329 N SER A 90 -6.449 0.588 -1.575 1.00 0.00 N ATOM 1330 CA SER A 90 -7.771 1.191 -1.610 1.00 0.00 C ATOM 1331 C SER A 90 -7.788 2.465 -0.763 1.00 0.00 C ATOM 1332 O SER A 90 -6.752 2.888 -0.251 1.00 0.00 O ATOM 1333 CB SER A 90 -8.836 0.210 -1.115 1.00 0.00 C ATOM 1334 OG SER A 90 -9.952 0.144 -1.998 1.00 0.00 O ATOM 0 H SER A 90 -5.956 0.691 -0.688 1.00 0.00 H new ATOM 0 HA SER A 90 -8.003 1.447 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.396 -0.782 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.175 0.512 -0.124 1.00 0.00 H new ATOM 0 HG SER A 90 -10.609 -0.494 -1.648 1.00 0.00 H new ATOM 1340 N GLY A 91 -8.975 3.041 -0.641 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.140 4.258 0.135 1.00 0.00 C ATOM 1342 C GLY A 91 -9.564 3.940 1.570 1.00 0.00 C ATOM 1343 O GLY A 91 -9.359 2.825 2.049 1.00 0.00 O ATOM 0 H GLY A 91 -9.832 2.687 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.205 4.817 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.888 4.895 -0.336 1.00 0.00 H new