USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 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 42 MET CE :methyl 178:sc= -1.85 (180deg=-1.43) USER MOD Set 1.2: A 61 MET CE :methyl -159:sc= -3.89! (180deg=-3.7!) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.531 USER MOD Set 2.2: A 64 THR OG1 : rot -79:sc= 0.951 USER MOD Single : A 21 ASN : amide:sc= -0.867 K(o=-0.87,f=-0.13) USER MOD Single : A 23 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.095) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 44 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.32! USER MOD Single : A 50 THR OG1 : rot 43:sc= 0.0324 USER MOD Single : A 57 ASN : amide:sc=-0.00599 X(o=-0.006,f=-0.18) USER MOD Single : A 58 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.93) USER MOD Single : A 60 GLN : amide:sc=-0.00273 K(o=-0.0027,f=-1.4) USER MOD Single : A 68 SER OG : rot 180:sc= -0.216 USER MOD Single : A 69 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -125:sc= -0.0517 (180deg=-0.651) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.604 12.241 1.088 1.00 0.00 N ATOM 178 CA ALA A 16 -4.619 11.575 0.253 1.00 0.00 C ATOM 179 C ALA A 16 -4.101 10.331 0.976 1.00 0.00 C ATOM 180 O ALA A 16 -2.904 10.046 0.949 1.00 0.00 O ATOM 181 CB ALA A 16 -3.498 12.556 -0.096 1.00 0.00 C ATOM 0 HA ALA A 16 -5.069 11.248 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.759 12.056 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.914 13.407 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.021 12.904 0.820 1.00 0.00 H new ATOM 187 N THR A 17 -5.027 9.623 1.606 1.00 0.00 N ATOM 188 CA THR A 17 -4.678 8.415 2.335 1.00 0.00 C ATOM 189 C THR A 17 -5.240 7.182 1.625 1.00 0.00 C ATOM 190 O THR A 17 -6.315 7.240 1.030 1.00 0.00 O ATOM 191 CB THR A 17 -5.180 8.570 3.773 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.419 9.657 4.291 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.789 7.386 4.660 1.00 0.00 C ATOM 0 H THR A 17 -6.018 9.863 1.627 1.00 0.00 H new ATOM 0 HA THR A 17 -3.598 8.269 2.365 1.00 0.00 H new ATOM 0 HB THR A 17 -6.265 8.679 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.682 9.827 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.169 7.546 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.216 6.470 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.703 7.298 4.691 1.00 0.00 H new ATOM 201 N VAL A 18 -4.488 6.095 1.711 1.00 0.00 N ATOM 202 CA VAL A 18 -4.897 4.850 1.084 1.00 0.00 C ATOM 203 C VAL A 18 -4.625 3.688 2.041 1.00 0.00 C ATOM 204 O VAL A 18 -3.734 3.770 2.885 1.00 0.00 O ATOM 205 CB VAL A 18 -4.196 4.689 -0.266 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.651 5.766 -1.253 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.675 4.705 -0.099 1.00 0.00 C ATOM 0 H VAL A 18 -3.597 6.051 2.206 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.968 4.859 0.880 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.478 3.719 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.137 5.628 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.727 5.687 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.413 6.751 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.201 4.589 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.368 5.652 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.372 3.885 0.552 1.00 0.00 H new ATOM 217 N VAL A 19 -5.410 2.633 1.878 1.00 0.00 N ATOM 218 CA VAL A 19 -5.264 1.456 2.718 1.00 0.00 C ATOM 219 C VAL A 19 -4.563 0.352 1.924 1.00 0.00 C ATOM 220 O VAL A 19 -4.908 0.096 0.771 1.00 0.00 O ATOM 221 CB VAL A 19 -6.630 1.027 3.259 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.504 -0.216 4.142 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.303 2.173 4.017 1.00 0.00 C ATOM 0 H VAL A 19 -6.149 2.569 1.177 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.641 1.680 3.584 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.262 0.771 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.489 -0.500 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.086 -1.036 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.847 0.001 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.272 1.842 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.674 2.474 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.443 3.020 3.346 1.00 0.00 H new ATOM 233 N VAL A 20 -3.591 -0.273 2.572 1.00 0.00 N ATOM 234 CA VAL A 20 -2.838 -1.343 1.941 1.00 0.00 C ATOM 235 C VAL A 20 -3.252 -2.682 2.554 1.00 0.00 C ATOM 236 O VAL A 20 -3.573 -2.754 3.740 1.00 0.00 O ATOM 237 CB VAL A 20 -1.337 -1.069 2.063 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.520 -2.267 1.574 1.00 0.00 C ATOM 239 CG2 VAL A 20 -0.950 0.204 1.308 1.00 0.00 C ATOM 0 H VAL A 20 -3.308 -0.059 3.528 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.061 -1.390 0.875 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.108 -0.916 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.543 -2.047 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.765 -3.144 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.755 -2.465 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.121 0.376 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.200 0.092 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.495 1.052 1.722 1.00 0.00 H new ATOM 249 N ASN A 21 -3.231 -3.711 1.719 1.00 0.00 N ATOM 250 CA ASN A 21 -3.601 -5.044 2.164 1.00 0.00 C ATOM 251 C ASN A 21 -2.915 -6.082 1.274 1.00 0.00 C ATOM 252 O ASN A 21 -2.483 -5.767 0.166 1.00 0.00 O ATOM 253 CB ASN A 21 -5.112 -5.259 2.063 1.00 0.00 C ATOM 254 CG ASN A 21 -5.797 -4.969 3.400 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.045 -5.853 4.204 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.089 -3.686 3.591 1.00 0.00 N ATOM 0 H ASN A 21 -2.963 -3.648 0.737 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.291 -5.151 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.525 -4.610 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.318 -6.286 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.549 -3.390 4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.853 -2.997 2.876 1.00 0.00 H new ATOM 263 N LEU A 22 -2.836 -7.299 1.792 1.00 0.00 N ATOM 264 CA LEU A 22 -2.210 -8.386 1.058 1.00 0.00 C ATOM 265 C LEU A 22 -3.289 -9.357 0.575 1.00 0.00 C ATOM 266 O LEU A 22 -4.134 -9.790 1.357 1.00 0.00 O ATOM 267 CB LEU A 22 -1.121 -9.047 1.904 1.00 0.00 C ATOM 268 CG LEU A 22 0.129 -8.205 2.167 1.00 0.00 C ATOM 269 CD1 LEU A 22 1.347 -9.095 2.418 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.370 -7.212 1.028 1.00 0.00 C ATOM 0 H LEU A 22 -3.195 -7.556 2.711 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.704 -8.005 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.555 -9.327 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.816 -9.970 1.411 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.036 -7.622 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.222 -8.471 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.163 -9.727 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.526 -9.722 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.264 -6.626 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.505 -7.756 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.488 -6.546 0.939 1.00 0.00 H new ATOM 282 N GLN A 23 -3.225 -9.672 -0.710 1.00 0.00 N ATOM 283 CA GLN A 23 -4.186 -10.584 -1.306 1.00 0.00 C ATOM 284 C GLN A 23 -4.054 -11.976 -0.684 1.00 0.00 C ATOM 285 O GLN A 23 -5.048 -12.575 -0.278 1.00 0.00 O ATOM 286 CB GLN A 23 -4.016 -10.645 -2.826 1.00 0.00 C ATOM 287 CG GLN A 23 -4.601 -9.399 -3.493 1.00 0.00 C ATOM 288 CD GLN A 23 -5.583 -9.781 -4.603 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.299 -10.599 -5.463 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.749 -9.146 -4.536 1.00 0.00 N ATOM 0 H GLN A 23 -2.522 -9.312 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.188 -10.209 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.958 -10.732 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.509 -11.536 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.109 -8.788 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.796 -8.792 -3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.921 -8.473 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.472 -9.332 -5.231 1.00 0.00 H new ATOM 299 N SER A 24 -2.817 -12.449 -0.628 1.00 0.00 N ATOM 300 CA SER A 24 -2.542 -13.758 -0.062 1.00 0.00 C ATOM 301 C SER A 24 -1.453 -13.648 1.007 1.00 0.00 C ATOM 302 O SER A 24 -0.319 -14.070 0.790 1.00 0.00 O ATOM 303 CB SER A 24 -2.120 -14.750 -1.148 1.00 0.00 C ATOM 304 OG SER A 24 -3.236 -15.239 -1.887 1.00 0.00 O ATOM 0 H SER A 24 -1.995 -11.949 -0.965 1.00 0.00 H new ATOM 0 HA SER A 24 -3.457 -14.131 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.419 -14.266 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.594 -15.587 -0.690 1.00 0.00 H new ATOM 0 HG SER A 24 -2.925 -15.868 -2.571 1.00 0.00 H new ATOM 310 N PRO A 25 -1.847 -13.062 2.170 1.00 0.00 N ATOM 311 CA PRO A 25 -0.918 -12.890 3.273 1.00 0.00 C ATOM 312 C PRO A 25 -0.665 -14.219 3.988 1.00 0.00 C ATOM 313 O PRO A 25 -1.107 -15.270 3.528 1.00 0.00 O ATOM 314 CB PRO A 25 -1.562 -11.846 4.171 1.00 0.00 C ATOM 315 CG PRO A 25 -3.031 -11.813 3.784 1.00 0.00 C ATOM 316 CD PRO A 25 -3.182 -12.549 2.463 1.00 0.00 C ATOM 0 HA PRO A 25 0.068 -12.560 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.441 -12.107 5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.099 -10.870 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.640 -12.285 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.378 -10.784 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.909 -13.358 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.531 -11.881 1.675 1.00 0.00 H new ATOM 324 N THR A 26 0.046 -14.128 5.103 1.00 0.00 N ATOM 325 CA THR A 26 0.364 -15.310 5.886 1.00 0.00 C ATOM 326 C THR A 26 0.063 -15.066 7.366 1.00 0.00 C ATOM 327 O THR A 26 -0.562 -14.067 7.719 1.00 0.00 O ATOM 328 CB THR A 26 1.824 -15.678 5.616 1.00 0.00 C ATOM 329 OG1 THR A 26 2.478 -14.421 5.468 1.00 0.00 O ATOM 330 CG2 THR A 26 2.015 -16.359 4.259 1.00 0.00 C ATOM 0 H THR A 26 0.411 -13.254 5.482 1.00 0.00 H new ATOM 0 HA THR A 26 -0.258 -16.156 5.595 1.00 0.00 H new ATOM 0 HB THR A 26 2.184 -16.336 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.431 -14.567 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.069 -16.599 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.426 -17.276 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.686 -15.688 3.466 1.00 0.00 H new ATOM 338 N LEU A 27 0.522 -15.995 8.192 1.00 0.00 N ATOM 339 CA LEU A 27 0.309 -15.893 9.625 1.00 0.00 C ATOM 340 C LEU A 27 0.900 -14.575 10.132 1.00 0.00 C ATOM 341 O LEU A 27 0.183 -13.740 10.680 1.00 0.00 O ATOM 342 CB LEU A 27 0.862 -17.129 10.338 1.00 0.00 C ATOM 343 CG LEU A 27 -0.090 -18.321 10.449 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.105 -19.133 9.153 1.00 0.00 C ATOM 345 CD2 LEU A 27 0.254 -19.186 11.664 1.00 0.00 C ATOM 0 H LEU A 27 1.041 -16.822 7.896 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.757 -15.873 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.761 -17.455 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.167 -16.838 11.343 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.100 -17.939 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.790 -19.974 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.434 -18.499 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.898 -19.505 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.438 -20.026 11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.273 -19.561 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.172 -18.588 12.571 1.00 0.00 H new ATOM 357 N GLU A 28 2.201 -14.431 9.930 1.00 0.00 N ATOM 358 CA GLU A 28 2.896 -13.229 10.359 1.00 0.00 C ATOM 359 C GLU A 28 2.034 -11.994 10.094 1.00 0.00 C ATOM 360 O GLU A 28 1.750 -11.223 11.009 1.00 0.00 O ATOM 361 CB GLU A 28 4.256 -13.107 9.669 1.00 0.00 C ATOM 362 CG GLU A 28 4.109 -13.186 8.148 1.00 0.00 C ATOM 363 CD GLU A 28 5.395 -13.702 7.499 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.092 -14.492 8.171 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.651 -13.295 6.345 1.00 0.00 O ATOM 0 H GLU A 28 2.792 -15.126 9.475 1.00 0.00 H new ATOM 0 HA GLU A 28 3.075 -13.299 11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.724 -12.162 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.916 -13.902 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.279 -13.845 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.867 -12.200 7.751 1.00 0.00 H new ATOM 372 N GLU A 29 1.640 -11.845 8.838 1.00 0.00 N ATOM 373 CA GLU A 29 0.816 -10.716 8.441 1.00 0.00 C ATOM 374 C GLU A 29 -0.516 -10.741 9.194 1.00 0.00 C ATOM 375 O GLU A 29 -0.972 -9.711 9.689 1.00 0.00 O ATOM 376 CB GLU A 29 0.590 -10.707 6.928 1.00 0.00 C ATOM 377 CG GLU A 29 0.317 -9.289 6.422 1.00 0.00 C ATOM 378 CD GLU A 29 -1.176 -9.080 6.157 1.00 0.00 C ATOM 379 OE1 GLU A 29 -1.884 -10.105 6.059 1.00 0.00 O ATOM 380 OE2 GLU A 29 -1.574 -7.899 6.058 1.00 0.00 O ATOM 0 H GLU A 29 1.876 -12.487 8.082 1.00 0.00 H new ATOM 0 HA GLU A 29 1.342 -9.798 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.466 -11.114 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.251 -11.354 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.665 -8.563 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.881 -9.111 5.507 1.00 0.00 H new ATOM 387 N LYS A 30 -1.102 -11.927 9.257 1.00 0.00 N ATOM 388 CA LYS A 30 -2.372 -12.100 9.941 1.00 0.00 C ATOM 389 C LYS A 30 -2.288 -11.464 11.331 1.00 0.00 C ATOM 390 O LYS A 30 -3.309 -11.110 11.918 1.00 0.00 O ATOM 391 CB LYS A 30 -2.772 -13.576 9.964 1.00 0.00 C ATOM 392 CG LYS A 30 -3.914 -13.849 8.983 1.00 0.00 C ATOM 393 CD LYS A 30 -3.511 -14.907 7.953 1.00 0.00 C ATOM 394 CE LYS A 30 -4.678 -15.849 7.649 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.177 -17.154 7.165 1.00 0.00 N ATOM 0 H LYS A 30 -0.720 -12.779 8.845 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.168 -11.587 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.912 -14.194 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.078 -13.858 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.795 -14.185 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.189 -12.926 8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.184 -14.420 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.664 -15.481 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.280 -15.994 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.329 -15.401 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.981 -17.782 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.622 -17.013 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.575 -17.587 7.894 1.00 0.00 H new ATOM 409 N ASN A 31 -1.061 -11.338 11.816 1.00 0.00 N ATOM 410 CA ASN A 31 -0.831 -10.752 13.125 1.00 0.00 C ATOM 411 C ASN A 31 -0.585 -9.249 12.970 1.00 0.00 C ATOM 412 O ASN A 31 -1.211 -8.441 13.653 1.00 0.00 O ATOM 413 CB ASN A 31 0.401 -11.365 13.794 1.00 0.00 C ATOM 414 CG ASN A 31 -0.001 -12.466 14.778 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.333 -12.217 15.926 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.047 -13.692 14.267 1.00 0.00 N ATOM 0 H ASN A 31 -0.216 -11.632 11.326 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.710 -10.945 13.740 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.065 -11.776 13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.958 -10.589 14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.203 -14.495 14.844 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.334 -13.830 13.298 1.00 0.00 H new ATOM 423 N GLU A 32 0.327 -8.921 12.066 1.00 0.00 N ATOM 424 CA GLU A 32 0.663 -7.531 11.813 1.00 0.00 C ATOM 425 C GLU A 32 1.540 -7.416 10.565 1.00 0.00 C ATOM 426 O GLU A 32 2.472 -8.197 10.383 1.00 0.00 O ATOM 427 CB GLU A 32 1.350 -6.902 13.026 1.00 0.00 C ATOM 428 CG GLU A 32 1.336 -5.375 12.935 1.00 0.00 C ATOM 429 CD GLU A 32 0.589 -4.762 14.122 1.00 0.00 C ATOM 430 OE1 GLU A 32 0.611 -5.400 15.197 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.013 -3.670 13.928 1.00 0.00 O ATOM 0 H GLU A 32 0.843 -9.594 11.500 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.261 -6.981 11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.846 -7.220 13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.379 -7.256 13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.359 -4.999 12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.861 -5.067 12.003 1.00 0.00 H new ATOM 438 N PHE A 33 1.211 -6.434 9.737 1.00 0.00 N ATOM 439 CA PHE A 33 1.958 -6.207 8.512 1.00 0.00 C ATOM 440 C PHE A 33 3.464 -6.328 8.757 1.00 0.00 C ATOM 441 O PHE A 33 3.998 -5.713 9.678 1.00 0.00 O ATOM 442 CB PHE A 33 1.641 -4.782 8.053 1.00 0.00 C ATOM 443 CG PHE A 33 1.917 -4.531 6.569 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.141 -4.811 6.047 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.937 -4.027 5.771 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.396 -4.578 4.670 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.192 -3.794 4.394 1.00 0.00 C ATOM 448 CZ PHE A 33 2.417 -4.074 3.873 1.00 0.00 C ATOM 0 H PHE A 33 0.437 -5.787 9.891 1.00 0.00 H new ATOM 0 HA PHE A 33 1.678 -6.948 7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.592 -4.570 8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.229 -4.081 8.645 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.919 -5.211 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.035 -3.804 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.368 -4.801 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.414 -3.395 3.760 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.612 -3.896 2.826 1.00 0.00 H new ATOM 458 N PRO A 34 4.122 -7.147 7.893 1.00 0.00 N ATOM 459 CA PRO A 34 5.555 -7.357 8.006 1.00 0.00 C ATOM 460 C PRO A 34 6.330 -6.139 7.497 1.00 0.00 C ATOM 461 O PRO A 34 6.059 -5.638 6.407 1.00 0.00 O ATOM 462 CB PRO A 34 5.833 -8.616 7.201 1.00 0.00 C ATOM 463 CG PRO A 34 4.631 -8.802 6.289 1.00 0.00 C ATOM 464 CD PRO A 34 3.522 -7.891 6.789 1.00 0.00 C ATOM 0 HA PRO A 34 5.882 -7.480 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.751 -8.514 6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.963 -9.477 7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.891 -8.557 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.304 -9.842 6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.175 -7.221 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.658 -8.466 7.122 1.00 0.00 H new ATOM 472 N GLU A 35 7.278 -5.698 8.311 1.00 0.00 N ATOM 473 CA GLU A 35 8.093 -4.549 7.957 1.00 0.00 C ATOM 474 C GLU A 35 8.807 -4.794 6.626 1.00 0.00 C ATOM 475 O GLU A 35 8.765 -3.951 5.731 1.00 0.00 O ATOM 476 CB GLU A 35 9.096 -4.226 9.066 1.00 0.00 C ATOM 477 CG GLU A 35 10.061 -5.393 9.289 1.00 0.00 C ATOM 478 CD GLU A 35 10.926 -5.159 10.529 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.476 -4.041 10.635 1.00 0.00 O ATOM 480 OE2 GLU A 35 11.019 -6.103 11.343 1.00 0.00 O ATOM 0 H GLU A 35 7.500 -6.116 9.215 1.00 0.00 H new ATOM 0 HA GLU A 35 7.438 -3.685 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.658 -3.330 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.563 -4.008 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.497 -6.319 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.699 -5.515 8.414 1.00 0.00 H new ATOM 487 N ASP A 36 9.445 -5.952 6.538 1.00 0.00 N ATOM 488 CA ASP A 36 10.167 -6.318 5.331 1.00 0.00 C ATOM 489 C ASP A 36 9.317 -5.970 4.108 1.00 0.00 C ATOM 490 O ASP A 36 9.851 -5.676 3.040 1.00 0.00 O ATOM 491 CB ASP A 36 10.452 -7.821 5.296 1.00 0.00 C ATOM 492 CG ASP A 36 9.397 -8.696 5.974 1.00 0.00 C ATOM 493 OD1 ASP A 36 9.255 -8.560 7.209 1.00 0.00 O ATOM 494 OD2 ASP A 36 8.755 -9.481 5.243 1.00 0.00 O ATOM 0 H ASP A 36 9.477 -6.649 7.282 1.00 0.00 H new ATOM 0 HA ASP A 36 11.110 -5.771 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.547 -8.133 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.415 -8.004 5.773 1.00 0.00 H new ATOM 499 N LEU A 37 8.007 -6.013 4.305 1.00 0.00 N ATOM 500 CA LEU A 37 7.078 -5.705 3.231 1.00 0.00 C ATOM 501 C LEU A 37 6.818 -4.198 3.204 1.00 0.00 C ATOM 502 O LEU A 37 6.931 -3.563 2.156 1.00 0.00 O ATOM 503 CB LEU A 37 5.807 -6.547 3.364 1.00 0.00 C ATOM 504 CG LEU A 37 5.941 -8.026 3.000 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.566 -8.675 2.825 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.822 -8.209 1.762 1.00 0.00 C ATOM 0 H LEU A 37 7.567 -6.257 5.193 1.00 0.00 H new ATOM 0 HA LEU A 37 7.509 -5.971 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.455 -6.477 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.035 -6.106 2.733 1.00 0.00 H new ATOM 0 HG LEU A 37 6.436 -8.537 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.690 -9.727 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.004 -8.594 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.023 -8.167 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.901 -9.270 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.378 -7.681 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.816 -7.807 1.960 1.00 0.00 H new ATOM 518 N ARG A 38 6.474 -3.668 4.369 1.00 0.00 N ATOM 519 CA ARG A 38 6.197 -2.247 4.492 1.00 0.00 C ATOM 520 C ARG A 38 7.243 -1.434 3.728 1.00 0.00 C ATOM 521 O ARG A 38 6.915 -0.741 2.766 1.00 0.00 O ATOM 522 CB ARG A 38 6.194 -1.812 5.959 1.00 0.00 C ATOM 523 CG ARG A 38 4.849 -2.120 6.620 1.00 0.00 C ATOM 524 CD ARG A 38 5.048 -2.827 7.963 1.00 0.00 C ATOM 525 NE ARG A 38 6.024 -2.081 8.788 1.00 0.00 N ATOM 526 CZ ARG A 38 6.165 -2.239 10.111 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.393 -3.116 10.767 1.00 0.00 N ATOM 528 NH2 ARG A 38 7.077 -1.519 10.778 1.00 0.00 N ATOM 0 H ARG A 38 6.381 -4.197 5.236 1.00 0.00 H new ATOM 0 HA ARG A 38 5.210 -2.064 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.993 -2.324 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.400 -0.744 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.293 -1.195 6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.250 -2.747 5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.096 -2.901 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.401 -3.845 7.799 1.00 0.00 H new ATOM 0 HE ARG A 38 6.627 -1.404 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.698 -3.663 10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.500 -3.236 11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.664 -0.851 10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.184 -1.639 11.785 1.00 0.00 H new ATOM 542 N THR A 39 8.482 -1.545 4.184 1.00 0.00 N ATOM 543 CA THR A 39 9.578 -0.829 3.555 1.00 0.00 C ATOM 544 C THR A 39 9.466 -0.912 2.032 1.00 0.00 C ATOM 545 O THR A 39 9.602 0.095 1.339 1.00 0.00 O ATOM 546 CB THR A 39 10.890 -1.399 4.100 1.00 0.00 C ATOM 547 OG1 THR A 39 11.044 -0.766 5.367 1.00 0.00 O ATOM 548 CG2 THR A 39 12.108 -0.933 3.300 1.00 0.00 C ATOM 0 H THR A 39 8.751 -2.120 4.982 1.00 0.00 H new ATOM 0 HA THR A 39 9.544 0.234 3.794 1.00 0.00 H new ATOM 0 HB THR A 39 10.844 -2.488 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.870 -1.080 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.012 -1.366 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.007 -1.255 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.174 0.154 3.337 1.00 0.00 H new ATOM 556 N GLU A 40 9.219 -2.123 1.554 1.00 0.00 N ATOM 557 CA GLU A 40 9.086 -2.352 0.125 1.00 0.00 C ATOM 558 C GLU A 40 7.851 -1.629 -0.415 1.00 0.00 C ATOM 559 O GLU A 40 7.849 -1.160 -1.553 1.00 0.00 O ATOM 560 CB GLU A 40 9.027 -3.848 -0.188 1.00 0.00 C ATOM 561 CG GLU A 40 9.543 -4.133 -1.600 1.00 0.00 C ATOM 562 CD GLU A 40 10.727 -5.102 -1.565 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.858 -4.608 -1.367 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.474 -6.314 -1.738 1.00 0.00 O ATOM 0 H GLU A 40 9.107 -2.956 2.131 1.00 0.00 H new ATOM 0 HA GLU A 40 9.967 -1.946 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.623 -4.399 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.001 -4.203 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.741 -4.555 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.846 -3.200 -2.076 1.00 0.00 H new ATOM 571 N LEU A 41 6.829 -1.562 0.425 1.00 0.00 N ATOM 572 CA LEU A 41 5.589 -0.905 0.046 1.00 0.00 C ATOM 573 C LEU A 41 5.793 0.611 0.070 1.00 0.00 C ATOM 574 O LEU A 41 5.641 1.278 -0.952 1.00 0.00 O ATOM 575 CB LEU A 41 4.436 -1.384 0.930 1.00 0.00 C ATOM 576 CG LEU A 41 3.505 -2.428 0.310 1.00 0.00 C ATOM 577 CD1 LEU A 41 2.351 -1.759 -0.438 1.00 0.00 C ATOM 578 CD2 LEU A 41 4.284 -3.395 -0.585 1.00 0.00 C ATOM 0 H LEU A 41 6.834 -1.952 1.367 1.00 0.00 H new ATOM 0 HA LEU A 41 5.311 -1.174 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.855 -1.799 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.839 -0.518 1.216 1.00 0.00 H new ATOM 0 HG LEU A 41 3.067 -3.017 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.705 -2.524 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.775 -1.146 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.749 -1.130 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.599 -4.127 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.768 -2.838 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.041 -3.910 0.007 1.00 0.00 H new ATOM 590 N MET A 42 6.135 1.112 1.248 1.00 0.00 N ATOM 591 CA MET A 42 6.362 2.537 1.419 1.00 0.00 C ATOM 592 C MET A 42 7.194 3.102 0.266 1.00 0.00 C ATOM 593 O MET A 42 6.727 3.964 -0.477 1.00 0.00 O ATOM 594 CB MET A 42 7.089 2.783 2.742 1.00 0.00 C ATOM 595 CG MET A 42 6.310 2.186 3.916 1.00 0.00 C ATOM 596 SD MET A 42 4.599 2.685 3.830 1.00 0.00 S ATOM 597 CE MET A 42 3.813 1.084 3.743 1.00 0.00 C ATOM 0 H MET A 42 6.260 0.556 2.094 1.00 0.00 H new ATOM 0 HA MET A 42 5.396 3.042 1.426 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.085 2.343 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.220 3.854 2.895 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.382 1.099 3.895 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.747 2.516 4.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.731 1.211 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.137 0.568 2.839 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.090 0.495 4.617 1.00 0.00 H new ATOM 607 N GLN A 43 8.412 2.593 0.152 1.00 0.00 N ATOM 608 CA GLN A 43 9.313 3.036 -0.898 1.00 0.00 C ATOM 609 C GLN A 43 8.616 2.970 -2.258 1.00 0.00 C ATOM 610 O GLN A 43 8.727 3.895 -3.062 1.00 0.00 O ATOM 611 CB GLN A 43 10.600 2.209 -0.900 1.00 0.00 C ATOM 612 CG GLN A 43 10.396 0.880 -1.630 1.00 0.00 C ATOM 613 CD GLN A 43 11.694 0.071 -1.669 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.167 -0.441 -0.668 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.242 -0.016 -2.878 1.00 0.00 N ATOM 0 H GLN A 43 8.796 1.878 0.770 1.00 0.00 H new ATOM 0 HA GLN A 43 9.587 4.073 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.399 2.774 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.917 2.020 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.618 0.302 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.050 1.069 -2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.794 0.437 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.110 -0.535 -3.008 1.00 0.00 H new ATOM 624 N THR A 44 7.913 1.868 -2.475 1.00 0.00 N ATOM 625 CA THR A 44 7.198 1.670 -3.724 1.00 0.00 C ATOM 626 C THR A 44 6.032 2.654 -3.833 1.00 0.00 C ATOM 627 O THR A 44 6.081 3.595 -4.625 1.00 0.00 O ATOM 628 CB THR A 44 6.765 0.204 -3.793 1.00 0.00 C ATOM 629 OG1 THR A 44 7.971 -0.502 -4.068 1.00 0.00 O ATOM 630 CG2 THR A 44 5.877 -0.087 -5.005 1.00 0.00 C ATOM 0 H THR A 44 7.823 1.103 -1.806 1.00 0.00 H new ATOM 0 HA THR A 44 7.837 1.876 -4.583 1.00 0.00 H new ATOM 0 HB THR A 44 6.231 -0.060 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.353 -0.837 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.598 -1.141 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.978 0.527 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.422 0.145 -5.920 1.00 0.00 H new ATOM 638 N LEU A 45 5.011 2.404 -3.027 1.00 0.00 N ATOM 639 CA LEU A 45 3.835 3.257 -3.023 1.00 0.00 C ATOM 640 C LEU A 45 4.272 4.723 -3.029 1.00 0.00 C ATOM 641 O LEU A 45 3.598 5.573 -3.607 1.00 0.00 O ATOM 642 CB LEU A 45 2.914 2.895 -1.856 1.00 0.00 C ATOM 643 CG LEU A 45 2.596 1.407 -1.689 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.605 1.184 -0.545 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.099 0.802 -3.003 1.00 0.00 C ATOM 0 H LEU A 45 4.974 1.623 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 45 3.246 3.096 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.370 3.254 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.975 3.435 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 45 3.517 0.888 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.396 0.119 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.034 1.556 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.679 1.718 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.880 -0.256 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.194 1.319 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.868 0.911 -3.768 1.00 0.00 H new ATOM 657 N GLY A 46 5.399 4.973 -2.379 1.00 0.00 N ATOM 658 CA GLY A 46 5.935 6.322 -2.302 1.00 0.00 C ATOM 659 C GLY A 46 6.501 6.764 -3.653 1.00 0.00 C ATOM 660 O GLY A 46 6.192 7.854 -4.133 1.00 0.00 O ATOM 0 H GLY A 46 5.956 4.265 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.151 7.011 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.718 6.364 -1.544 1.00 0.00 H new ATOM 664 N SER A 47 7.321 5.897 -4.228 1.00 0.00 N ATOM 665 CA SER A 47 7.933 6.184 -5.514 1.00 0.00 C ATOM 666 C SER A 47 6.927 6.889 -6.427 1.00 0.00 C ATOM 667 O SER A 47 7.217 7.953 -6.971 1.00 0.00 O ATOM 668 CB SER A 47 8.447 4.905 -6.178 1.00 0.00 C ATOM 669 OG SER A 47 9.854 4.947 -6.400 1.00 0.00 O ATOM 0 H SER A 47 7.576 4.995 -3.827 1.00 0.00 H new ATOM 0 HA SER A 47 8.786 6.842 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.205 4.048 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.934 4.759 -7.129 1.00 0.00 H new ATOM 0 HG SER A 47 10.143 4.112 -6.824 1.00 0.00 H new ATOM 675 N TYR A 48 5.766 6.267 -6.566 1.00 0.00 N ATOM 676 CA TYR A 48 4.715 6.821 -7.403 1.00 0.00 C ATOM 677 C TYR A 48 4.484 8.300 -7.085 1.00 0.00 C ATOM 678 O TYR A 48 4.367 9.123 -7.992 1.00 0.00 O ATOM 679 CB TYR A 48 3.447 6.035 -7.065 1.00 0.00 C ATOM 680 CG TYR A 48 3.383 4.650 -7.711 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.944 3.563 -7.072 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.763 4.487 -8.933 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.884 2.260 -7.680 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.703 3.183 -9.542 1.00 0.00 C ATOM 685 CZ TYR A 48 3.266 2.134 -8.885 1.00 0.00 C ATOM 686 OH TYR A 48 3.209 0.903 -9.460 1.00 0.00 O ATOM 0 H TYR A 48 5.529 5.384 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 48 4.984 6.746 -8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.379 5.923 -5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.579 6.613 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.428 3.690 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.323 5.337 -9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.320 1.402 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.222 3.042 -10.499 1.00 0.00 H new ATOM 0 HH TYR A 48 3.191 0.216 -8.761 1.00 0.00 H new ATOM 696 N GLY A 49 4.426 8.593 -5.795 1.00 0.00 N ATOM 697 CA GLY A 49 4.211 9.958 -5.346 1.00 0.00 C ATOM 698 C GLY A 49 5.212 10.341 -4.255 1.00 0.00 C ATOM 699 O GLY A 49 6.422 10.236 -4.453 1.00 0.00 O ATOM 0 H GLY A 49 4.524 7.908 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.308 10.641 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.195 10.064 -4.965 1.00 0.00 H new ATOM 703 N THR A 50 4.672 10.778 -3.127 1.00 0.00 N ATOM 704 CA THR A 50 5.503 11.177 -2.004 1.00 0.00 C ATOM 705 C THR A 50 4.825 10.812 -0.682 1.00 0.00 C ATOM 706 O THR A 50 3.654 11.126 -0.474 1.00 0.00 O ATOM 707 CB THR A 50 5.800 12.671 -2.143 1.00 0.00 C ATOM 708 OG1 THR A 50 7.146 12.716 -2.608 1.00 0.00 O ATOM 709 CG2 THR A 50 5.849 13.387 -0.791 1.00 0.00 C ATOM 0 H THR A 50 3.668 10.865 -2.967 1.00 0.00 H new ATOM 0 HA THR A 50 6.452 10.641 -2.004 1.00 0.00 H new ATOM 0 HB THR A 50 5.040 13.135 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.276 12.035 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.063 14.444 -0.947 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.888 13.282 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.631 12.946 -0.174 1.00 0.00 H new ATOM 717 N ILE A 51 5.589 10.155 0.178 1.00 0.00 N ATOM 718 CA ILE A 51 5.077 9.745 1.474 1.00 0.00 C ATOM 719 C ILE A 51 5.230 10.899 2.467 1.00 0.00 C ATOM 720 O ILE A 51 6.347 11.313 2.775 1.00 0.00 O ATOM 721 CB ILE A 51 5.748 8.448 1.930 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.541 7.333 0.903 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.266 8.041 3.323 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.104 6.809 0.946 1.00 0.00 C ATOM 0 H ILE A 51 6.560 9.896 0.002 1.00 0.00 H new ATOM 0 HA ILE A 51 4.013 9.520 1.409 1.00 0.00 H new ATOM 0 HB ILE A 51 6.821 8.626 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.766 7.707 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.236 6.517 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.759 7.116 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.508 8.829 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.187 7.888 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.983 6.017 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.890 6.414 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.413 7.622 0.723 1.00 0.00 H new ATOM 736 N VAL A 52 4.092 11.385 2.940 1.00 0.00 N ATOM 737 CA VAL A 52 4.086 12.483 3.892 1.00 0.00 C ATOM 738 C VAL A 52 3.768 11.942 5.287 1.00 0.00 C ATOM 739 O VAL A 52 4.032 12.604 6.289 1.00 0.00 O ATOM 740 CB VAL A 52 3.108 13.567 3.434 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.312 13.900 1.954 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.661 13.152 3.708 1.00 0.00 C ATOM 0 H VAL A 52 3.168 11.039 2.682 1.00 0.00 H new ATOM 0 HA VAL A 52 5.069 12.951 3.941 1.00 0.00 H new ATOM 0 HB VAL A 52 3.313 14.468 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.604 14.673 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.329 14.259 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.148 13.005 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.987 13.940 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.438 12.231 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.526 12.989 4.777 1.00 0.00 H new ATOM 752 N LEU A 53 3.205 10.742 5.307 1.00 0.00 N ATOM 753 CA LEU A 53 2.848 10.104 6.562 1.00 0.00 C ATOM 754 C LEU A 53 2.258 8.721 6.277 1.00 0.00 C ATOM 755 O LEU A 53 1.713 8.485 5.200 1.00 0.00 O ATOM 756 CB LEU A 53 1.925 11.010 7.380 1.00 0.00 C ATOM 757 CG LEU A 53 2.341 11.258 8.831 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.733 9.949 9.520 1.00 0.00 C ATOM 759 CD2 LEU A 53 3.455 12.303 8.910 1.00 0.00 C ATOM 0 H LEU A 53 2.988 10.195 4.474 1.00 0.00 H new ATOM 0 HA LEU A 53 3.735 9.952 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.853 11.973 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.926 10.573 7.379 1.00 0.00 H new ATOM 0 HG LEU A 53 1.483 11.661 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.025 10.153 10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.884 9.265 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.570 9.495 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.732 12.461 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.323 11.952 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.104 13.242 8.482 1.00 0.00 H new ATOM 771 N VAL A 54 2.388 7.844 7.261 1.00 0.00 N ATOM 772 CA VAL A 54 1.875 6.491 7.129 1.00 0.00 C ATOM 773 C VAL A 54 1.481 5.962 8.510 1.00 0.00 C ATOM 774 O VAL A 54 2.291 5.972 9.436 1.00 0.00 O ATOM 775 CB VAL A 54 2.904 5.607 6.422 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.316 6.213 5.079 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.125 5.367 7.313 1.00 0.00 C ATOM 0 H VAL A 54 2.841 8.044 8.153 1.00 0.00 H new ATOM 0 HA VAL A 54 0.978 6.482 6.509 1.00 0.00 H new ATOM 0 HB VAL A 54 2.438 4.641 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.048 5.565 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.439 6.309 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.755 7.197 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.841 4.736 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.592 6.322 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.813 4.872 8.233 1.00 0.00 H new ATOM 787 N ARG A 55 0.238 5.514 8.605 1.00 0.00 N ATOM 788 CA ARG A 55 -0.273 4.983 9.858 1.00 0.00 C ATOM 789 C ARG A 55 -0.662 3.513 9.691 1.00 0.00 C ATOM 790 O ARG A 55 -1.581 3.191 8.940 1.00 0.00 O ATOM 791 CB ARG A 55 -1.491 5.775 10.336 1.00 0.00 C ATOM 792 CG ARG A 55 -1.775 5.504 11.815 1.00 0.00 C ATOM 793 CD ARG A 55 -3.280 5.427 12.079 1.00 0.00 C ATOM 794 NE ARG A 55 -3.563 5.753 13.495 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.260 4.951 14.525 1.00 0.00 C ATOM 796 NH1 ARG A 55 -2.664 3.772 14.304 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.554 5.329 15.776 1.00 0.00 N ATOM 0 H ARG A 55 -0.431 5.508 7.835 1.00 0.00 H new ATOM 0 HA ARG A 55 0.518 5.071 10.603 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.319 6.841 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.362 5.505 9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.301 4.569 12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.335 6.294 12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.808 6.121 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.648 4.427 11.847 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.017 6.643 13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.440 3.484 13.351 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.434 3.162 15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.008 6.227 15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.324 4.719 16.560 1.00 0.00 H new ATOM 811 N ILE A 56 0.057 2.659 10.404 1.00 0.00 N ATOM 812 CA ILE A 56 -0.201 1.230 10.345 1.00 0.00 C ATOM 813 C ILE A 56 -1.300 0.873 11.348 1.00 0.00 C ATOM 814 O ILE A 56 -1.204 1.213 12.526 1.00 0.00 O ATOM 815 CB ILE A 56 1.095 0.442 10.546 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.687 0.010 9.203 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.874 -0.746 11.484 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.764 -1.060 9.397 1.00 0.00 C ATOM 0 H ILE A 56 0.819 2.929 11.026 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.567 0.950 9.357 1.00 0.00 H new ATOM 0 HB ILE A 56 1.824 1.097 11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.896 -0.377 8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.115 0.874 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.811 -1.289 11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.531 -0.385 12.454 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.123 -1.411 11.058 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.168 -1.349 8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.565 -0.661 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.327 -1.932 9.883 1.00 0.00 H new ATOM 830 N ASN A 57 -2.319 0.192 10.844 1.00 0.00 N ATOM 831 CA ASN A 57 -3.434 -0.215 11.682 1.00 0.00 C ATOM 832 C ASN A 57 -3.313 -1.708 11.995 1.00 0.00 C ATOM 833 O ASN A 57 -2.752 -2.468 11.207 1.00 0.00 O ATOM 834 CB ASN A 57 -4.769 0.012 10.969 1.00 0.00 C ATOM 835 CG ASN A 57 -5.855 0.434 11.961 1.00 0.00 C ATOM 836 OD1 ASN A 57 -6.380 -0.361 12.723 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.161 1.727 11.909 1.00 0.00 N ATOM 0 H ASN A 57 -2.396 -0.088 9.866 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.406 0.381 12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.651 0.780 10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.073 -0.902 10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.874 2.108 12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.683 2.338 11.247 1.00 0.00 H new ATOM 844 N GLN A 58 -3.849 -2.084 13.147 1.00 0.00 N ATOM 845 CA GLN A 58 -3.808 -3.472 13.574 1.00 0.00 C ATOM 846 C GLN A 58 -3.504 -4.384 12.384 1.00 0.00 C ATOM 847 O GLN A 58 -2.525 -5.129 12.403 1.00 0.00 O ATOM 848 CB GLN A 58 -5.117 -3.875 14.254 1.00 0.00 C ATOM 849 CG GLN A 58 -5.217 -3.269 15.656 1.00 0.00 C ATOM 850 CD GLN A 58 -6.212 -4.046 16.520 1.00 0.00 C ATOM 851 OE1 GLN A 58 -6.962 -4.884 16.047 1.00 0.00 O ATOM 852 NE2 GLN A 58 -6.177 -3.722 17.809 1.00 0.00 N ATOM 0 H GLN A 58 -4.314 -1.451 13.798 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.008 -3.584 14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.962 -3.544 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.178 -4.961 14.318 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.235 -3.276 16.130 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.529 -2.227 15.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.524 -3.011 18.139 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.803 -4.184 18.468 1.00 0.00 H new ATOM 861 N GLY A 59 -4.361 -4.296 11.378 1.00 0.00 N ATOM 862 CA GLY A 59 -4.197 -5.105 10.182 1.00 0.00 C ATOM 863 C GLY A 59 -4.586 -4.317 8.930 1.00 0.00 C ATOM 864 O GLY A 59 -5.251 -4.847 8.040 1.00 0.00 O ATOM 0 H GLY A 59 -5.171 -3.677 11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.161 -5.435 10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.812 -6.001 10.258 1.00 0.00 H new ATOM 868 N GLN A 60 -4.156 -3.064 8.900 1.00 0.00 N ATOM 869 CA GLN A 60 -4.452 -2.198 7.771 1.00 0.00 C ATOM 870 C GLN A 60 -3.468 -1.027 7.729 1.00 0.00 C ATOM 871 O GLN A 60 -3.580 -0.089 8.516 1.00 0.00 O ATOM 872 CB GLN A 60 -5.897 -1.698 7.827 1.00 0.00 C ATOM 873 CG GLN A 60 -6.884 -2.862 7.718 1.00 0.00 C ATOM 874 CD GLN A 60 -8.305 -2.354 7.465 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.545 -1.172 7.277 1.00 0.00 O ATOM 876 NE2 GLN A 60 -9.230 -3.309 7.472 1.00 0.00 N ATOM 0 H GLN A 60 -3.605 -2.628 9.639 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.338 -2.777 6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.064 -1.161 8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.073 -0.990 7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.581 -3.525 6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.862 -3.449 8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.960 -4.279 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.209 -3.072 7.314 1.00 0.00 H new ATOM 885 N MET A 61 -2.526 -1.121 6.802 1.00 0.00 N ATOM 886 CA MET A 61 -1.523 -0.081 6.647 1.00 0.00 C ATOM 887 C MET A 61 -2.064 1.082 5.813 1.00 0.00 C ATOM 888 O MET A 61 -2.299 0.936 4.615 1.00 0.00 O ATOM 889 CB MET A 61 -0.284 -0.665 5.965 1.00 0.00 C ATOM 890 CG MET A 61 0.626 0.447 5.438 1.00 0.00 C ATOM 891 SD MET A 61 0.770 1.746 6.653 1.00 0.00 S ATOM 892 CE MET A 61 2.537 2.002 6.626 1.00 0.00 C ATOM 0 H MET A 61 -2.436 -1.901 6.151 1.00 0.00 H new ATOM 0 HA MET A 61 -1.261 0.296 7.636 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.266 -1.286 6.672 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.588 -1.312 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.612 0.043 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.221 0.850 4.509 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.849 2.486 7.551 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.042 1.041 6.531 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.800 2.635 5.779 1.00 0.00 H new ATOM 902 N LEU A 62 -2.246 2.212 6.480 1.00 0.00 N ATOM 903 CA LEU A 62 -2.755 3.400 5.816 1.00 0.00 C ATOM 904 C LEU A 62 -1.581 4.293 5.407 1.00 0.00 C ATOM 905 O LEU A 62 -0.857 4.802 6.260 1.00 0.00 O ATOM 906 CB LEU A 62 -3.786 4.107 6.698 1.00 0.00 C ATOM 907 CG LEU A 62 -5.024 3.288 7.071 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.841 2.606 8.428 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.286 4.151 7.028 1.00 0.00 C ATOM 0 H LEU A 62 -2.050 2.330 7.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.284 3.128 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.293 4.422 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.114 5.011 6.186 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.149 2.500 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.735 2.031 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.980 1.939 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.678 3.362 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.151 3.545 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.187 4.976 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.421 4.549 6.022 1.00 0.00 H new ATOM 921 N VAL A 63 -1.430 4.455 4.100 1.00 0.00 N ATOM 922 CA VAL A 63 -0.357 5.277 3.567 1.00 0.00 C ATOM 923 C VAL A 63 -0.929 6.620 3.110 1.00 0.00 C ATOM 924 O VAL A 63 -1.936 6.663 2.406 1.00 0.00 O ATOM 925 CB VAL A 63 0.372 4.526 2.451 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.388 5.433 1.754 1.00 0.00 C ATOM 927 CG2 VAL A 63 1.044 3.261 2.989 1.00 0.00 C ATOM 0 H VAL A 63 -2.033 4.031 3.395 1.00 0.00 H new ATOM 0 HA VAL A 63 0.385 5.485 4.338 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.369 4.222 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.893 4.875 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.873 6.290 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.123 5.781 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.555 2.746 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.768 3.532 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.289 2.602 3.418 1.00 0.00 H new ATOM 937 N THR A 64 -0.260 7.685 3.529 1.00 0.00 N ATOM 938 CA THR A 64 -0.689 9.026 3.172 1.00 0.00 C ATOM 939 C THR A 64 0.292 9.652 2.179 1.00 0.00 C ATOM 940 O THR A 64 1.494 9.399 2.244 1.00 0.00 O ATOM 941 CB THR A 64 -0.845 9.833 4.463 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.796 9.092 5.222 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.524 11.184 4.231 1.00 0.00 C ATOM 0 H THR A 64 0.576 7.646 4.112 1.00 0.00 H new ATOM 0 HA THR A 64 -1.653 9.011 2.664 1.00 0.00 H new ATOM 0 HB THR A 64 0.135 9.993 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.698 9.279 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.610 11.716 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.929 11.776 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.518 11.025 3.813 1.00 0.00 H new ATOM 951 N PHE A 65 -0.258 10.459 1.282 1.00 0.00 N ATOM 952 CA PHE A 65 0.554 11.123 0.276 1.00 0.00 C ATOM 953 C PHE A 65 0.298 12.632 0.275 1.00 0.00 C ATOM 954 O PHE A 65 -0.474 13.135 1.090 1.00 0.00 O ATOM 955 CB PHE A 65 0.144 10.547 -1.081 1.00 0.00 C ATOM 956 CG PHE A 65 0.497 9.070 -1.262 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.774 8.707 -1.558 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.466 8.119 -1.126 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.102 7.335 -1.726 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.138 6.747 -1.294 1.00 0.00 C ATOM 961 CZ PHE A 65 1.139 6.385 -1.590 1.00 0.00 C ATOM 0 H PHE A 65 -1.255 10.668 1.231 1.00 0.00 H new ATOM 0 HA PHE A 65 1.612 10.961 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.932 10.671 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.626 11.124 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.539 9.462 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.480 8.407 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.116 7.047 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.903 5.992 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.388 5.342 -1.717 1.00 0.00 H new ATOM 971 N ALA A 66 0.961 13.311 -0.650 1.00 0.00 N ATOM 972 CA ALA A 66 0.815 14.752 -0.768 1.00 0.00 C ATOM 973 C ALA A 66 -0.266 15.067 -1.804 1.00 0.00 C ATOM 974 O ALA A 66 -0.983 16.058 -1.675 1.00 0.00 O ATOM 975 CB ALA A 66 2.166 15.374 -1.127 1.00 0.00 C ATOM 0 H ALA A 66 1.600 12.890 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 66 0.499 15.185 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.057 16.455 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.891 15.145 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.514 14.966 -2.076 1.00 0.00 H new ATOM 981 N ASP A 67 -0.348 14.207 -2.808 1.00 0.00 N ATOM 982 CA ASP A 67 -1.329 14.381 -3.865 1.00 0.00 C ATOM 983 C ASP A 67 -2.333 13.228 -3.819 1.00 0.00 C ATOM 984 O ASP A 67 -2.080 12.205 -3.184 1.00 0.00 O ATOM 985 CB ASP A 67 -0.662 14.373 -5.242 1.00 0.00 C ATOM 986 CG ASP A 67 0.300 15.534 -5.501 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.488 15.377 -5.143 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.173 16.551 -6.052 1.00 0.00 O ATOM 0 H ASP A 67 0.250 13.387 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.825 15.339 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.117 13.436 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.439 14.388 -6.006 1.00 0.00 H new ATOM 993 N SER A 68 -3.451 13.430 -4.500 1.00 0.00 N ATOM 994 CA SER A 68 -4.494 12.420 -4.545 1.00 0.00 C ATOM 995 C SER A 68 -4.295 11.517 -5.764 1.00 0.00 C ATOM 996 O SER A 68 -4.315 10.293 -5.644 1.00 0.00 O ATOM 997 CB SER A 68 -5.882 13.062 -4.581 1.00 0.00 C ATOM 998 OG SER A 68 -6.134 13.720 -5.819 1.00 0.00 O ATOM 0 H SER A 68 -3.657 14.279 -5.026 1.00 0.00 H new ATOM 0 HA SER A 68 -4.426 11.818 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.640 12.296 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.971 13.779 -3.765 1.00 0.00 H new ATOM 0 HG SER A 68 -7.031 14.115 -5.803 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.109 12.156 -6.910 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.907 11.425 -8.150 1.00 0.00 C ATOM 1006 C HIS A 69 -2.974 10.239 -7.900 1.00 0.00 C ATOM 1007 O HIS A 69 -3.282 9.111 -8.284 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.399 12.357 -9.252 1.00 0.00 C ATOM 1009 CG HIS A 69 -1.933 12.698 -9.142 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -1.472 13.825 -8.483 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -0.829 12.048 -9.611 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -0.150 13.843 -8.560 1.00 0.00 C ATOM 1013 NE2 HIS A 69 0.247 12.742 -9.260 1.00 0.00 N ATOM 0 H HIS A 69 -4.094 13.171 -7.006 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.859 11.026 -8.501 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.581 11.891 -10.220 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.979 13.280 -9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.830 11.125 -10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.500 14.597 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.212 12.493 -9.478 1.00 0.00 H new ATOM 1021 N SER A 70 -1.852 10.533 -7.259 1.00 0.00 N ATOM 1022 CA SER A 70 -0.873 9.505 -6.954 1.00 0.00 C ATOM 1023 C SER A 70 -1.575 8.255 -6.418 1.00 0.00 C ATOM 1024 O SER A 70 -1.328 7.148 -6.893 1.00 0.00 O ATOM 1025 CB SER A 70 0.158 10.009 -5.942 1.00 0.00 C ATOM 1026 OG SER A 70 -0.458 10.574 -4.788 1.00 0.00 O ATOM 0 H SER A 70 -1.600 11.469 -6.943 1.00 0.00 H new ATOM 0 HA SER A 70 -0.346 9.252 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.804 9.184 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.795 10.756 -6.415 1.00 0.00 H new ATOM 0 HG SER A 70 0.234 10.882 -4.166 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.436 8.475 -5.435 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.176 7.381 -4.830 1.00 0.00 C ATOM 1034 C ALA A 71 -3.950 6.632 -5.916 1.00 0.00 C ATOM 1035 O ALA A 71 -3.878 5.407 -6.002 1.00 0.00 O ATOM 1036 CB ALA A 71 -4.092 7.929 -3.734 1.00 0.00 C ATOM 0 H ALA A 71 -2.637 9.395 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.495 6.670 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.647 7.108 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.491 8.426 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.791 8.644 -4.168 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.673 7.399 -6.719 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.459 6.823 -7.796 1.00 0.00 C ATOM 1044 C LEU A 72 -4.641 5.735 -8.494 1.00 0.00 C ATOM 1045 O LEU A 72 -5.063 4.581 -8.560 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.958 7.918 -8.741 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.751 7.661 -10.235 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.495 6.401 -10.683 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.148 8.886 -11.062 1.00 0.00 C ATOM 0 H LEU A 72 -4.731 8.415 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.354 6.344 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.023 8.067 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.458 8.851 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.689 7.486 -10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.331 6.241 -11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.123 5.541 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.562 6.522 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.991 8.677 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.199 9.116 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.537 9.738 -10.766 1.00 0.00 H new ATOM 1061 N SER A 73 -3.485 6.140 -8.998 1.00 0.00 N ATOM 1062 CA SER A 73 -2.603 5.214 -9.689 1.00 0.00 C ATOM 1063 C SER A 73 -2.265 4.034 -8.776 1.00 0.00 C ATOM 1064 O SER A 73 -2.455 2.879 -9.154 1.00 0.00 O ATOM 1065 CB SER A 73 -1.322 5.913 -10.150 1.00 0.00 C ATOM 1066 OG SER A 73 -1.299 6.110 -11.561 1.00 0.00 O ATOM 0 H SER A 73 -3.138 7.098 -8.942 1.00 0.00 H new ATOM 0 HA SER A 73 -3.121 4.844 -10.574 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.234 6.877 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.458 5.319 -9.853 1.00 0.00 H new ATOM 0 HG SER A 73 -0.466 6.560 -11.815 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.771 4.365 -7.593 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.404 3.347 -6.623 1.00 0.00 C ATOM 1074 C VAL A 74 -2.614 2.451 -6.350 1.00 0.00 C ATOM 1075 O VAL A 74 -2.462 1.319 -5.891 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.850 4.004 -5.358 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.608 2.965 -4.261 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.429 4.788 -5.662 1.00 0.00 C ATOM 0 H VAL A 74 -1.616 5.324 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.610 2.712 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.597 4.709 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.214 3.459 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.548 2.470 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.110 2.225 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.802 5.245 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.184 4.112 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.213 5.566 -6.394 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.788 2.990 -6.643 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.023 2.253 -6.435 1.00 0.00 C ATOM 1090 C LEU A 75 -5.331 1.420 -7.680 1.00 0.00 C ATOM 1091 O LEU A 75 -6.016 0.402 -7.597 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.153 3.204 -6.037 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.011 3.881 -4.672 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.850 5.158 -4.603 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.352 2.909 -3.540 1.00 0.00 C ATOM 0 H LEU A 75 -3.910 3.929 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.915 1.556 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.233 3.980 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.090 2.648 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.969 4.174 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.731 5.619 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.518 5.854 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.900 4.913 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.243 3.415 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.380 2.564 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.676 2.055 -3.578 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.809 1.882 -8.807 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.019 1.192 -10.068 1.00 0.00 C ATOM 1109 C ASP A 76 -3.925 0.139 -10.257 1.00 0.00 C ATOM 1110 O ASP A 76 -4.218 -1.021 -10.544 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.947 2.165 -11.247 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.138 2.107 -12.206 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.672 0.991 -12.381 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.486 3.180 -12.744 1.00 0.00 O ATOM 0 H ASP A 76 -4.241 2.726 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.007 0.732 -10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.863 3.179 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.036 1.963 -11.810 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.688 0.581 -10.088 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.549 -0.310 -10.236 1.00 0.00 C ATOM 1121 C VAL A 77 -1.483 -1.252 -9.032 1.00 0.00 C ATOM 1122 O VAL A 77 -0.713 -2.211 -9.031 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.268 0.506 -10.427 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.385 0.825 -9.081 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.710 -0.218 -11.354 1.00 0.00 C ATOM 0 H VAL A 77 -2.449 1.544 -9.850 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.661 -0.928 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.540 1.450 -10.899 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.293 1.405 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.308 1.401 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.636 -0.104 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.611 0.383 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.972 -1.184 -10.923 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.244 -0.370 -12.328 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.301 -0.945 -8.036 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.346 -1.753 -6.829 1.00 0.00 C ATOM 1137 C ASP A 78 -2.343 -3.234 -7.211 1.00 0.00 C ATOM 1138 O ASP A 78 -1.807 -4.066 -6.481 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.619 -1.474 -6.027 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.861 -2.230 -6.503 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -5.168 -2.115 -7.709 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.476 -2.906 -5.649 1.00 0.00 O ATOM 0 H ASP A 78 -2.938 -0.148 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.475 -1.502 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.436 -1.727 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.827 -0.405 -6.064 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.947 -3.519 -8.356 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.020 -4.885 -8.844 1.00 0.00 C ATOM 1149 C GLY A 79 -1.635 -5.535 -8.865 1.00 0.00 C ATOM 1150 O GLY A 79 -1.520 -6.760 -8.883 1.00 0.00 O ATOM 0 H GLY A 79 -3.390 -2.826 -8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.689 -5.466 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.445 -4.894 -9.848 1.00 0.00 H new ATOM 1154 N MET A 80 -0.618 -4.686 -8.862 1.00 0.00 N ATOM 1155 CA MET A 80 0.755 -5.162 -8.881 1.00 0.00 C ATOM 1156 C MET A 80 0.986 -6.209 -7.790 1.00 0.00 C ATOM 1157 O MET A 80 0.087 -6.503 -7.004 1.00 0.00 O ATOM 1158 CB MET A 80 1.707 -3.983 -8.668 1.00 0.00 C ATOM 1159 CG MET A 80 1.526 -3.377 -7.275 1.00 0.00 C ATOM 1160 SD MET A 80 2.872 -2.261 -6.915 1.00 0.00 S ATOM 1161 CE MET A 80 2.193 -1.400 -5.507 1.00 0.00 C ATOM 0 H MET A 80 -0.717 -3.671 -8.847 1.00 0.00 H new ATOM 0 HA MET A 80 0.947 -5.625 -9.849 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.737 -4.316 -8.793 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.524 -3.222 -9.426 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.577 -2.844 -7.222 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.489 -4.169 -6.527 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.207 -0.327 -5.696 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.166 -1.726 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.791 -1.621 -4.623 1.00 0.00 H new ATOM 1171 N LYS A 81 2.198 -6.745 -7.777 1.00 0.00 N ATOM 1172 CA LYS A 81 2.560 -7.754 -6.795 1.00 0.00 C ATOM 1173 C LYS A 81 3.862 -7.343 -6.105 1.00 0.00 C ATOM 1174 O LYS A 81 4.802 -6.895 -6.760 1.00 0.00 O ATOM 1175 CB LYS A 81 2.618 -9.137 -7.445 1.00 0.00 C ATOM 1176 CG LYS A 81 1.213 -9.716 -7.630 1.00 0.00 C ATOM 1177 CD LYS A 81 0.997 -10.183 -9.070 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.348 -10.896 -9.220 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.452 -11.534 -10.551 1.00 0.00 N ATOM 0 H LYS A 81 2.942 -6.500 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 81 1.796 -7.824 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.117 -9.068 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.213 -9.809 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.068 -10.553 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.469 -8.962 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.036 -9.327 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.804 -10.855 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.456 -11.650 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.161 -10.182 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.371 -12.013 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.371 -10.808 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.313 -12.230 -10.663 1.00 0.00 H new ATOM 1193 N VAL A 82 3.877 -7.512 -4.791 1.00 0.00 N ATOM 1194 CA VAL A 82 5.049 -7.165 -4.005 1.00 0.00 C ATOM 1195 C VAL A 82 5.686 -8.443 -3.457 1.00 0.00 C ATOM 1196 O VAL A 82 5.028 -9.225 -2.772 1.00 0.00 O ATOM 1197 CB VAL A 82 4.667 -6.169 -2.908 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.904 -5.693 -2.145 1.00 0.00 C ATOM 1199 CG2 VAL A 82 3.891 -4.985 -3.488 1.00 0.00 C ATOM 0 H VAL A 82 3.096 -7.885 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 82 5.795 -6.671 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 82 4.015 -6.683 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.605 -4.986 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.398 -6.548 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.592 -5.205 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.632 -4.292 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.508 -4.472 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.980 -5.346 -3.965 1.00 0.00 H new ATOM 1209 N LYS A 83 6.960 -8.615 -3.778 1.00 0.00 N ATOM 1210 CA LYS A 83 7.694 -9.785 -3.326 1.00 0.00 C ATOM 1211 C LYS A 83 6.978 -11.048 -3.808 1.00 0.00 C ATOM 1212 O LYS A 83 6.886 -12.032 -3.075 1.00 0.00 O ATOM 1213 CB LYS A 83 7.901 -9.736 -1.811 1.00 0.00 C ATOM 1214 CG LYS A 83 9.390 -9.773 -1.459 1.00 0.00 C ATOM 1215 CD LYS A 83 9.658 -9.055 -0.135 1.00 0.00 C ATOM 1216 CE LYS A 83 10.881 -9.644 0.570 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.586 -8.600 1.346 1.00 0.00 N ATOM 0 H LYS A 83 7.503 -7.964 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 83 8.694 -9.799 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.451 -8.829 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.392 -10.579 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.726 -10.808 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.967 -9.303 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.817 -7.992 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.785 -9.140 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.572 -10.452 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.558 -10.078 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.413 -9.018 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.898 -7.843 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.942 -8.205 2.061 1.00 0.00 H new ATOM 1231 N GLY A 84 6.491 -10.981 -5.038 1.00 0.00 N ATOM 1232 CA GLY A 84 5.786 -12.107 -5.626 1.00 0.00 C ATOM 1233 C GLY A 84 4.462 -12.363 -4.904 1.00 0.00 C ATOM 1234 O GLY A 84 3.812 -13.382 -5.134 1.00 0.00 O ATOM 0 H GLY A 84 6.571 -10.164 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.597 -11.911 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.411 -12.999 -5.574 1.00 0.00 H new ATOM 1238 N ARG A 85 4.100 -11.421 -4.046 1.00 0.00 N ATOM 1239 CA ARG A 85 2.865 -11.531 -3.289 1.00 0.00 C ATOM 1240 C ARG A 85 1.849 -10.496 -3.776 1.00 0.00 C ATOM 1241 O ARG A 85 2.126 -9.298 -3.768 1.00 0.00 O ATOM 1242 CB ARG A 85 3.115 -11.326 -1.794 1.00 0.00 C ATOM 1243 CG ARG A 85 1.840 -11.571 -0.986 1.00 0.00 C ATOM 1244 CD ARG A 85 2.074 -12.621 0.103 1.00 0.00 C ATOM 1245 NE ARG A 85 1.945 -13.980 -0.469 1.00 0.00 N ATOM 1246 CZ ARG A 85 2.292 -15.102 0.176 1.00 0.00 C ATOM 1247 NH1 ARG A 85 2.791 -15.034 1.418 1.00 0.00 N ATOM 1248 NH2 ARG A 85 2.140 -16.292 -0.420 1.00 0.00 N ATOM 0 H ARG A 85 4.641 -10.577 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 85 2.469 -12.535 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.899 -12.004 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.472 -10.312 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.509 -10.638 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.042 -11.903 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.066 -12.493 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.353 -12.487 0.910 1.00 0.00 H new ATOM 0 HE ARG A 85 1.569 -14.068 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.907 -14.128 1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.055 -15.888 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.760 -16.344 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.404 -17.146 0.071 1.00 0.00 H new ATOM 1262 N ALA A 86 0.694 -10.996 -4.190 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.364 -10.130 -4.680 1.00 0.00 C ATOM 1264 C ALA A 86 -0.774 -9.157 -3.572 1.00 0.00 C ATOM 1265 O ALA A 86 -1.188 -9.578 -2.493 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.536 -10.982 -5.171 1.00 0.00 C ATOM 0 H ALA A 86 0.468 -11.991 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.015 -9.539 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.330 -10.332 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.199 -11.634 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.915 -11.588 -4.348 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.646 -7.874 -3.878 1.00 0.00 N ATOM 1273 CA VAL A 87 -0.998 -6.838 -2.922 1.00 0.00 C ATOM 1274 C VAL A 87 -2.315 -6.185 -3.347 1.00 0.00 C ATOM 1275 O VAL A 87 -2.806 -6.429 -4.447 1.00 0.00 O ATOM 1276 CB VAL A 87 0.151 -5.837 -2.788 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.333 -5.037 -4.080 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.069 -4.907 -1.594 1.00 0.00 C ATOM 0 H VAL A 87 -0.303 -7.529 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.153 -7.268 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 87 1.067 -6.400 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.156 -4.332 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.556 -5.718 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.583 -4.490 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.762 -4.205 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.999 -4.355 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.127 -5.497 -0.679 1.00 0.00 H new ATOM 1288 N LYS A 88 -2.848 -5.367 -2.451 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.099 -4.676 -2.720 1.00 0.00 C ATOM 1290 C LYS A 88 -4.092 -3.323 -2.007 1.00 0.00 C ATOM 1291 O LYS A 88 -3.579 -3.205 -0.895 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.290 -5.561 -2.347 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.209 -5.778 -3.551 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.674 -5.846 -3.117 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.565 -5.045 -4.069 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.854 -5.740 -4.282 1.00 0.00 N ATOM 0 H LYS A 88 -2.437 -5.167 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.202 -4.475 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.932 -6.523 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.851 -5.099 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.075 -4.966 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.934 -6.701 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.002 -6.885 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.775 -5.457 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.745 -4.051 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.057 -4.909 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.446 -5.183 -4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.678 -6.679 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.345 -5.848 -3.371 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.667 -2.335 -2.676 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.734 -0.994 -2.120 1.00 0.00 C ATOM 1312 C ILE A 89 -6.147 -0.438 -2.309 1.00 0.00 C ATOM 1313 O ILE A 89 -6.641 -0.358 -3.432 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.640 -0.109 -2.722 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.249 -0.649 -2.381 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.812 1.347 -2.287 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.268 -0.399 -3.528 1.00 0.00 C ATOM 0 H ILE A 89 -5.091 -2.436 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.540 -1.016 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.738 -0.134 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.882 -0.171 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.310 -1.718 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.022 1.954 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.782 1.715 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.755 1.411 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.287 -0.792 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.626 -0.899 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.191 0.672 -3.714 1.00 0.00 H new ATOM 1329 N SER A 90 -6.757 -0.068 -1.192 1.00 0.00 N ATOM 1330 CA SER A 90 -8.103 0.478 -1.220 1.00 0.00 C ATOM 1331 C SER A 90 -8.083 1.941 -0.775 1.00 0.00 C ATOM 1332 O SER A 90 -7.017 2.508 -0.539 1.00 0.00 O ATOM 1333 CB SER A 90 -9.046 -0.335 -0.331 1.00 0.00 C ATOM 1334 OG SER A 90 -9.741 -1.338 -1.066 1.00 0.00 O ATOM 0 H SER A 90 -6.344 -0.136 -0.262 1.00 0.00 H new ATOM 0 HA SER A 90 -8.474 0.421 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.475 -0.803 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.766 0.334 0.140 1.00 0.00 H new ATOM 0 HG SER A 90 -10.331 -1.836 -0.463 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.275 2.512 -0.673 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.408 3.898 -0.260 1.00 0.00 C ATOM 1342 C GLY A 91 -10.296 4.018 0.981 1.00 0.00 C ATOM 1343 O GLY A 91 -11.472 3.660 0.943 1.00 0.00 O ATOM 0 H GLY A 91 -10.157 2.039 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.423 4.314 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.834 4.485 -1.074 1.00 0.00 H new