USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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 8 GLN : amide:sc= -4.2! C(o=-4.2!,f=-15!) USER MOD Set 1.2: A 74 CYS SG : rot 180:sc= 0.0146 USER MOD Single : A 7 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.012) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0385) USER MOD Single : A 24 THR OG1 : rot -52:sc= 0.281 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 39 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.3!) USER MOD Single : A 40 HIS : no HD1:sc= -2.92! C(o=-2.9!,f=-5!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 46 SER OG : rot -110:sc= -1.42 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -111:sc= -0.489 (180deg=-2.32!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0425 (180deg=-0.301) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= -8.12! (180deg=-12.8!) USER MOD Single : A 63 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0382) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.804 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.45) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.959 F(o=-2.8,f=-0.96) USER MOD Single : A 79 ASN : amide:sc=-0.00228 K(o=-0.0023,f=-1) USER MOD Single : A 80 MET CE :methyl -177:sc= -1.07 (180deg=-1.11) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0842) USER MOD Single : A 85 THR OG1 : rot -62:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.803 3.916 -8.346 1.00 0.00 N ATOM 169 CA ASN A 7 -4.564 2.933 -7.295 1.00 0.00 C ATOM 170 C ASN A 7 -3.780 1.740 -7.836 1.00 0.00 C ATOM 171 O ASN A 7 -3.685 1.545 -9.046 1.00 0.00 O ATOM 172 CB ASN A 7 -5.892 2.458 -6.701 1.00 0.00 C ATOM 173 CG ASN A 7 -6.782 1.792 -7.733 1.00 0.00 C ATOM 174 OD1 ASN A 7 -6.782 0.569 -7.872 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.545 2.597 -8.464 1.00 0.00 N ATOM 0 HA ASN A 7 -3.974 3.409 -6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.694 1.757 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.417 3.309 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.163 2.207 -9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.512 3.605 -8.314 1.00 0.00 H new ATOM 182 N GLN A 8 -3.222 0.945 -6.927 1.00 0.00 N ATOM 183 CA GLN A 8 -2.447 -0.227 -7.313 1.00 0.00 C ATOM 184 C GLN A 8 -3.112 -1.507 -6.818 1.00 0.00 C ATOM 185 O GLN A 8 -3.918 -1.480 -5.885 1.00 0.00 O ATOM 186 CB GLN A 8 -1.025 -0.130 -6.756 1.00 0.00 C ATOM 187 CG GLN A 8 -0.938 -0.389 -5.260 1.00 0.00 C ATOM 188 CD GLN A 8 0.383 -1.009 -4.850 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.272 -0.325 -4.344 1.00 0.00 O ATOM 190 NE2 GLN A 8 0.519 -2.312 -5.070 1.00 0.00 N ATOM 0 H GLN A 8 -3.293 1.092 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.403 -0.259 -8.402 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.390 -0.846 -7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.628 0.863 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.076 0.550 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.753 -1.049 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.245 -2.840 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.387 -2.784 -4.817 1.00 0.00 H new ATOM 199 N THR A 9 -2.773 -2.627 -7.448 1.00 0.00 N ATOM 200 CA THR A 9 -3.340 -3.916 -7.073 1.00 0.00 C ATOM 201 C THR A 9 -2.246 -4.908 -6.692 1.00 0.00 C ATOM 202 O THR A 9 -1.159 -4.901 -7.270 1.00 0.00 O ATOM 203 CB THR A 9 -4.181 -4.514 -8.216 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.514 -4.323 -9.469 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.559 -3.870 -8.267 1.00 0.00 C ATOM 0 H THR A 9 -2.108 -2.667 -8.221 1.00 0.00 H new ATOM 0 HA THR A 9 -3.984 -3.739 -6.211 1.00 0.00 H new ATOM 0 HB THR A 9 -4.301 -5.581 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.055 -4.708 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.135 -4.308 -9.082 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.076 -4.042 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.454 -2.798 -8.432 1.00 0.00 H new ATOM 213 N VAL A 10 -2.540 -5.760 -5.715 1.00 0.00 N ATOM 214 CA VAL A 10 -1.582 -6.759 -5.257 1.00 0.00 C ATOM 215 C VAL A 10 -2.024 -8.164 -5.647 1.00 0.00 C ATOM 216 O VAL A 10 -3.219 -8.459 -5.694 1.00 0.00 O ATOM 217 CB VAL A 10 -1.392 -6.696 -3.731 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.285 -7.642 -3.291 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.094 -5.271 -3.289 1.00 0.00 C ATOM 0 H VAL A 10 -3.435 -5.778 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.633 -6.533 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.319 -7.013 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.165 -7.584 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.545 -8.662 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.650 -7.359 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.963 -5.246 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.182 -4.923 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.924 -4.622 -3.569 1.00 0.00 H new ATOM 229 N ASP A 11 -1.055 -9.029 -5.924 1.00 0.00 N ATOM 230 CA ASP A 11 -1.344 -10.405 -6.308 1.00 0.00 C ATOM 231 C ASP A 11 -0.936 -11.375 -5.204 1.00 0.00 C ATOM 232 O ASP A 11 0.117 -11.219 -4.586 1.00 0.00 O ATOM 233 CB ASP A 11 -0.619 -10.758 -7.608 1.00 0.00 C ATOM 234 CG ASP A 11 -0.725 -12.232 -7.948 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.831 -12.677 -8.318 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.299 -12.940 -7.843 1.00 0.00 O ATOM 0 H ASP A 11 -0.061 -8.801 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.419 -10.493 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.036 -10.169 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.432 -10.483 -7.521 1.00 0.00 H new ATOM 241 N ILE A 12 -1.778 -12.374 -4.961 1.00 0.00 N ATOM 242 CA ILE A 12 -1.504 -13.369 -3.930 1.00 0.00 C ATOM 243 C ILE A 12 -1.492 -14.777 -4.515 1.00 0.00 C ATOM 244 O ILE A 12 -2.367 -15.162 -5.291 1.00 0.00 O ATOM 245 CB ILE A 12 -2.545 -13.305 -2.796 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.440 -11.972 -2.052 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.353 -14.470 -1.837 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.549 -11.752 -1.048 1.00 0.00 C ATOM 0 H ILE A 12 -2.654 -12.516 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.520 -13.139 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.541 -13.378 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.480 -11.927 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.451 -11.158 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.095 -14.412 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.473 -15.409 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.353 -14.425 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.411 -10.788 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.511 -11.764 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.526 -12.545 -0.300 1.00 0.00 H new ATOM 260 N PRO A 13 -0.477 -15.567 -4.134 1.00 0.00 N ATOM 261 CA PRO A 13 -0.326 -16.946 -4.606 1.00 0.00 C ATOM 262 C PRO A 13 -1.393 -17.873 -4.035 1.00 0.00 C ATOM 263 O PRO A 13 -2.351 -17.422 -3.410 1.00 0.00 O ATOM 264 CB PRO A 13 1.060 -17.346 -4.097 1.00 0.00 C ATOM 265 CG PRO A 13 1.295 -16.474 -2.912 1.00 0.00 C ATOM 266 CD PRO A 13 0.602 -15.174 -3.212 1.00 0.00 C ATOM 0 HA PRO A 13 -0.434 -17.021 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.092 -18.401 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.822 -17.190 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.895 -16.930 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.361 -16.319 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.209 -14.710 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.280 -14.454 -3.670 1.00 0.00 H new ATOM 274 N GLU A 14 -1.217 -19.174 -4.252 1.00 0.00 N ATOM 275 CA GLU A 14 -2.166 -20.165 -3.758 1.00 0.00 C ATOM 276 C GLU A 14 -1.652 -20.820 -2.479 1.00 0.00 C ATOM 277 O GLU A 14 -2.428 -21.342 -1.680 1.00 0.00 O ATOM 278 CB GLU A 14 -2.424 -21.232 -4.823 1.00 0.00 C ATOM 279 CG GLU A 14 -3.509 -22.225 -4.440 1.00 0.00 C ATOM 280 CD GLU A 14 -3.451 -23.498 -5.261 1.00 0.00 C ATOM 281 OE1 GLU A 14 -3.599 -23.413 -6.498 1.00 0.00 O ATOM 282 OE2 GLU A 14 -3.259 -24.579 -4.667 1.00 0.00 O ATOM 0 H GLU A 14 -0.427 -19.565 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.102 -19.654 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.704 -20.742 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.498 -21.774 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.412 -22.474 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.485 -21.758 -4.569 1.00 0.00 H new ATOM 289 N ASN A 15 -0.335 -20.789 -2.294 1.00 0.00 N ATOM 290 CA ASN A 15 0.284 -21.381 -1.113 1.00 0.00 C ATOM 291 C ASN A 15 0.273 -20.400 0.056 1.00 0.00 C ATOM 292 O ASN A 15 0.942 -20.615 1.067 1.00 0.00 O ATOM 293 CB ASN A 15 1.720 -21.804 -1.424 1.00 0.00 C ATOM 294 CG ASN A 15 2.657 -20.619 -1.558 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.445 -19.737 -2.390 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.701 -20.594 -0.737 1.00 0.00 N ATOM 0 H ASN A 15 0.323 -20.361 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.295 -22.261 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.081 -22.461 -0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.734 -22.381 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.366 -19.822 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.838 -21.347 -0.063 1.00 0.00 H new ATOM 303 N VAL A 16 -0.493 -19.324 -0.088 1.00 0.00 N ATOM 304 CA VAL A 16 -0.593 -18.311 0.956 1.00 0.00 C ATOM 305 C VAL A 16 -2.042 -17.882 1.168 1.00 0.00 C ATOM 306 O VAL A 16 -2.794 -17.705 0.209 1.00 0.00 O ATOM 307 CB VAL A 16 0.253 -17.070 0.617 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.246 -16.086 1.777 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.675 -17.478 0.262 1.00 0.00 C ATOM 0 H VAL A 16 -1.054 -19.131 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.212 -18.762 1.872 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.187 -16.576 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.849 -15.215 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.777 -15.771 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.661 -16.565 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.260 -16.589 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.127 -17.995 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.658 -18.142 -0.602 1.00 0.00 H new ATOM 319 N ASP A 17 -2.425 -17.716 2.429 1.00 0.00 N ATOM 320 CA ASP A 17 -3.783 -17.307 2.768 1.00 0.00 C ATOM 321 C ASP A 17 -3.780 -15.960 3.484 1.00 0.00 C ATOM 322 O ASP A 17 -3.027 -15.752 4.435 1.00 0.00 O ATOM 323 CB ASP A 17 -4.453 -18.364 3.647 1.00 0.00 C ATOM 324 CG ASP A 17 -5.188 -19.411 2.833 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.601 -19.926 1.859 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.350 -19.716 3.172 1.00 0.00 O ATOM 0 H ASP A 17 -1.814 -17.858 3.233 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.348 -17.206 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.698 -18.851 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.154 -17.877 4.326 1.00 0.00 H new ATOM 331 N ILE A 18 -4.627 -15.048 3.019 1.00 0.00 N ATOM 332 CA ILE A 18 -4.723 -13.720 3.614 1.00 0.00 C ATOM 333 C ILE A 18 -6.162 -13.392 3.999 1.00 0.00 C ATOM 334 O ILE A 18 -7.081 -13.534 3.191 1.00 0.00 O ATOM 335 CB ILE A 18 -4.200 -12.634 2.656 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.727 -12.885 2.321 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.380 -11.254 3.271 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.513 -14.051 1.380 1.00 0.00 C ATOM 0 H ILE A 18 -5.257 -15.204 2.232 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.103 -13.731 4.510 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.777 -12.677 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.306 -11.985 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.178 -13.068 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.006 -10.497 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.438 -11.077 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.825 -11.198 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.447 -14.171 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.904 -14.961 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.033 -13.861 0.441 1.00 0.00 H new ATOM 350 N THR A 19 -6.352 -12.952 5.238 1.00 0.00 N ATOM 351 CA THR A 19 -7.679 -12.603 5.731 1.00 0.00 C ATOM 352 C THR A 19 -7.843 -11.092 5.845 1.00 0.00 C ATOM 353 O THR A 19 -6.997 -10.407 6.424 1.00 0.00 O ATOM 354 CB THR A 19 -7.955 -13.243 7.104 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.664 -14.644 7.058 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.405 -13.035 7.517 1.00 0.00 C ATOM 0 H THR A 19 -5.603 -12.829 5.920 1.00 0.00 H new ATOM 0 HA THR A 19 -8.397 -12.990 5.008 1.00 0.00 H new ATOM 0 HB THR A 19 -7.311 -12.762 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.840 -15.044 7.935 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.576 -13.496 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.616 -11.967 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.063 -13.493 6.778 1.00 0.00 H new ATOM 364 N LEU A 20 -8.935 -10.576 5.292 1.00 0.00 N ATOM 365 CA LEU A 20 -9.210 -9.144 5.333 1.00 0.00 C ATOM 366 C LEU A 20 -10.317 -8.831 6.334 1.00 0.00 C ATOM 367 O LEU A 20 -11.442 -9.315 6.205 1.00 0.00 O ATOM 368 CB LEU A 20 -9.606 -8.641 3.943 1.00 0.00 C ATOM 369 CG LEU A 20 -8.549 -8.792 2.849 1.00 0.00 C ATOM 370 CD1 LEU A 20 -9.120 -8.392 1.497 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.318 -7.962 3.178 1.00 0.00 C ATOM 0 H LEU A 20 -9.645 -11.128 4.810 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.302 -8.633 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.504 -9.172 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.871 -7.587 4.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.252 -9.840 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.354 -8.506 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.970 -9.031 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.446 -7.352 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.577 -8.082 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.598 -6.911 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.896 -8.297 4.126 1.00 0.00 H new ATOM 383 N LYS A 21 -9.992 -8.016 7.332 1.00 0.00 N ATOM 384 CA LYS A 21 -10.958 -7.634 8.355 1.00 0.00 C ATOM 385 C LYS A 21 -10.991 -6.120 8.535 1.00 0.00 C ATOM 386 O LYS A 21 -10.135 -5.546 9.206 1.00 0.00 O ATOM 387 CB LYS A 21 -10.618 -8.309 9.686 1.00 0.00 C ATOM 388 CG LYS A 21 -11.107 -9.744 9.782 1.00 0.00 C ATOM 389 CD LYS A 21 -10.490 -10.464 10.970 1.00 0.00 C ATOM 390 CE LYS A 21 -11.216 -10.127 12.264 1.00 0.00 C ATOM 391 NZ LYS A 21 -12.521 -10.836 12.368 1.00 0.00 N ATOM 0 H LYS A 21 -9.066 -7.607 7.454 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.944 -7.965 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.537 -8.292 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.055 -7.730 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.193 -9.754 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.859 -10.276 8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.524 -11.540 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.439 -10.188 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.588 -10.396 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.382 -9.051 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.905 -10.717 13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.188 -10.439 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.383 -11.848 12.173 1.00 0.00 H new ATOM 405 N GLY A 22 -11.986 -5.478 7.930 1.00 0.00 N ATOM 406 CA GLY A 22 -12.112 -4.036 8.037 1.00 0.00 C ATOM 407 C GLY A 22 -10.912 -3.305 7.467 1.00 0.00 C ATOM 408 O GLY A 22 -10.772 -3.182 6.250 1.00 0.00 O ATOM 0 H GLY A 22 -12.707 -5.931 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.012 -3.713 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.236 -3.762 9.085 1.00 0.00 H new ATOM 412 N ARG A 23 -10.045 -2.819 8.349 1.00 0.00 N ATOM 413 CA ARG A 23 -8.852 -2.094 7.926 1.00 0.00 C ATOM 414 C ARG A 23 -7.587 -2.833 8.354 1.00 0.00 C ATOM 415 O ARG A 23 -6.514 -2.238 8.466 1.00 0.00 O ATOM 416 CB ARG A 23 -8.853 -0.682 8.514 1.00 0.00 C ATOM 417 CG ARG A 23 -10.065 0.143 8.114 1.00 0.00 C ATOM 418 CD ARG A 23 -9.740 1.629 8.077 1.00 0.00 C ATOM 419 NE ARG A 23 -10.905 2.452 8.387 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.405 2.588 9.610 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.843 1.958 10.633 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.468 3.355 9.812 1.00 0.00 N ATOM 0 H ARG A 23 -10.146 -2.914 9.360 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.864 -2.028 6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.813 -0.750 9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.949 -0.163 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.418 -0.178 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.877 -0.036 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.944 1.844 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.362 1.893 7.089 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.360 2.950 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.025 1.368 10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.229 2.064 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.903 3.841 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.851 3.459 10.752 1.00 0.00 H new ATOM 436 N THR A 24 -7.720 -4.135 8.590 1.00 0.00 N ATOM 437 CA THR A 24 -6.589 -4.955 9.005 1.00 0.00 C ATOM 438 C THR A 24 -6.292 -6.042 7.979 1.00 0.00 C ATOM 439 O THR A 24 -7.184 -6.785 7.569 1.00 0.00 O ATOM 440 CB THR A 24 -6.846 -5.614 10.374 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.105 -4.609 11.360 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.654 -6.456 10.801 1.00 0.00 C ATOM 0 H THR A 24 -8.600 -4.644 8.501 1.00 0.00 H new ATOM 0 HA THR A 24 -5.729 -4.290 9.085 1.00 0.00 H new ATOM 0 HB THR A 24 -7.716 -6.265 10.282 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.385 -3.944 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.859 -6.911 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.478 -7.238 10.063 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.770 -5.823 10.877 1.00 0.00 H new ATOM 450 N VAL A 25 -5.031 -6.132 7.567 1.00 0.00 N ATOM 451 CA VAL A 25 -4.615 -7.130 6.589 1.00 0.00 C ATOM 452 C VAL A 25 -3.841 -8.262 7.254 1.00 0.00 C ATOM 453 O VAL A 25 -2.759 -8.048 7.802 1.00 0.00 O ATOM 454 CB VAL A 25 -3.742 -6.505 5.485 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.266 -7.573 4.511 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.509 -5.410 4.756 1.00 0.00 C ATOM 0 H VAL A 25 -4.280 -5.525 7.896 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.524 -7.530 6.140 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.865 -6.055 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.651 -7.112 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.678 -8.318 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.128 -8.055 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.878 -4.979 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.405 -5.834 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.795 -4.632 5.464 1.00 0.00 H new ATOM 466 N ILE A 26 -4.401 -9.466 7.202 1.00 0.00 N ATOM 467 CA ILE A 26 -3.761 -10.632 7.798 1.00 0.00 C ATOM 468 C ILE A 26 -3.152 -11.531 6.729 1.00 0.00 C ATOM 469 O ILE A 26 -3.804 -11.870 5.741 1.00 0.00 O ATOM 470 CB ILE A 26 -4.758 -11.453 8.637 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.306 -10.609 9.789 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.091 -12.714 9.169 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.593 -11.146 10.374 1.00 0.00 C ATOM 0 H ILE A 26 -5.296 -9.659 6.753 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.970 -10.260 8.449 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.591 -11.747 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.554 -10.553 10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.474 -9.592 9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.808 -13.283 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.745 -13.323 8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.242 -12.440 9.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.922 -10.497 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.360 -11.176 9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.426 -12.152 10.759 1.00 0.00 H new ATOM 485 N VAL A 27 -1.896 -11.918 6.934 1.00 0.00 N ATOM 486 CA VAL A 27 -1.199 -12.781 5.989 1.00 0.00 C ATOM 487 C VAL A 27 -0.682 -14.042 6.674 1.00 0.00 C ATOM 488 O VAL A 27 -0.064 -13.977 7.736 1.00 0.00 O ATOM 489 CB VAL A 27 -0.016 -12.050 5.327 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.729 -12.982 4.383 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.501 -10.810 4.593 1.00 0.00 C ATOM 0 H VAL A 27 -1.341 -11.647 7.746 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.922 -13.057 5.221 1.00 0.00 H new ATOM 0 HB VAL A 27 0.677 -11.735 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.561 -12.447 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.110 -13.837 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.050 -13.331 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.348 -10.305 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.215 -11.100 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.984 -10.135 5.299 1.00 0.00 H new ATOM 501 N LYS A 28 -0.942 -15.191 6.059 1.00 0.00 N ATOM 502 CA LYS A 28 -0.503 -16.469 6.607 1.00 0.00 C ATOM 503 C LYS A 28 0.321 -17.245 5.585 1.00 0.00 C ATOM 504 O LYS A 28 -0.091 -17.410 4.437 1.00 0.00 O ATOM 505 CB LYS A 28 -1.710 -17.302 7.044 1.00 0.00 C ATOM 506 CG LYS A 28 -1.413 -18.244 8.197 1.00 0.00 C ATOM 507 CD LYS A 28 -2.637 -19.061 8.579 1.00 0.00 C ATOM 508 CE LYS A 28 -3.491 -18.339 9.611 1.00 0.00 C ATOM 509 NZ LYS A 28 -4.709 -19.118 9.965 1.00 0.00 N ATOM 0 H LYS A 28 -1.455 -15.263 5.180 1.00 0.00 H new ATOM 0 HA LYS A 28 0.124 -16.267 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.519 -16.631 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.067 -17.883 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.599 -18.914 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.074 -17.670 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.233 -19.263 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.322 -20.026 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.901 -18.160 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.784 -17.364 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.264 -18.593 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.285 -19.268 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.430 -20.039 10.360 1.00 0.00 H new ATOM 523 N GLY A 29 1.488 -17.722 6.009 1.00 0.00 N ATOM 524 CA GLY A 29 2.349 -18.477 5.119 1.00 0.00 C ATOM 525 C GLY A 29 2.912 -19.723 5.773 1.00 0.00 C ATOM 526 O GLY A 29 2.882 -19.875 6.995 1.00 0.00 O ATOM 0 H GLY A 29 1.852 -17.598 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.787 -18.760 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.171 -17.842 4.788 1.00 0.00 H new ATOM 530 N PRO A 30 3.436 -20.644 4.951 1.00 0.00 N ATOM 531 CA PRO A 30 4.016 -21.900 5.435 1.00 0.00 C ATOM 532 C PRO A 30 5.325 -21.682 6.186 1.00 0.00 C ATOM 533 O PRO A 30 5.950 -22.635 6.654 1.00 0.00 O ATOM 534 CB PRO A 30 4.262 -22.696 4.151 1.00 0.00 C ATOM 535 CG PRO A 30 4.408 -21.662 3.087 1.00 0.00 C ATOM 536 CD PRO A 30 3.504 -20.529 3.485 1.00 0.00 C ATOM 0 HA PRO A 30 3.361 -22.404 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.159 -23.311 4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.432 -23.370 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.442 -21.327 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.127 -22.062 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.908 -19.565 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.519 -20.622 3.029 1.00 0.00 H new ATOM 544 N ARG A 31 5.736 -20.423 6.297 1.00 0.00 N ATOM 545 CA ARG A 31 6.972 -20.081 6.991 1.00 0.00 C ATOM 546 C ARG A 31 6.687 -19.211 8.213 1.00 0.00 C ATOM 547 O ARG A 31 7.574 -18.958 9.027 1.00 0.00 O ATOM 548 CB ARG A 31 7.927 -19.352 6.045 1.00 0.00 C ATOM 549 CG ARG A 31 8.301 -20.162 4.814 1.00 0.00 C ATOM 550 CD ARG A 31 9.481 -21.081 5.088 1.00 0.00 C ATOM 551 NE ARG A 31 9.072 -22.313 5.755 1.00 0.00 N ATOM 552 CZ ARG A 31 8.366 -23.270 5.163 1.00 0.00 C ATOM 553 NH1 ARG A 31 7.995 -23.138 3.897 1.00 0.00 N ATOM 554 NH2 ARG A 31 8.032 -24.364 5.837 1.00 0.00 N ATOM 0 H ARG A 31 5.231 -19.623 5.915 1.00 0.00 H new ATOM 0 HA ARG A 31 7.439 -21.007 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.467 -18.416 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.835 -19.092 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.444 -20.754 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.547 -19.487 3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.976 -21.325 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.211 -20.559 5.707 1.00 0.00 H new ATOM 0 HE ARG A 31 9.343 -22.447 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.252 -22.300 3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.453 -23.874 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.317 -24.470 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.490 -25.098 5.381 1.00 0.00 H new ATOM 568 N GLY A 32 5.444 -18.757 8.332 1.00 0.00 N ATOM 569 CA GLY A 32 5.065 -17.920 9.457 1.00 0.00 C ATOM 570 C GLY A 32 3.807 -17.119 9.185 1.00 0.00 C ATOM 571 O GLY A 32 3.325 -17.070 8.052 1.00 0.00 O ATOM 0 H GLY A 32 4.692 -18.953 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.911 -18.546 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.883 -17.238 9.691 1.00 0.00 H new ATOM 575 N THR A 33 3.271 -16.491 10.227 1.00 0.00 N ATOM 576 CA THR A 33 2.059 -15.690 10.096 1.00 0.00 C ATOM 577 C THR A 33 2.330 -14.227 10.425 1.00 0.00 C ATOM 578 O THR A 33 2.796 -13.901 11.517 1.00 0.00 O ATOM 579 CB THR A 33 0.939 -16.213 11.014 1.00 0.00 C ATOM 580 OG1 THR A 33 0.727 -17.610 10.783 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.356 -15.452 10.775 1.00 0.00 C ATOM 0 H THR A 33 3.657 -16.521 11.171 1.00 0.00 H new ATOM 0 HA THR A 33 1.735 -15.772 9.058 1.00 0.00 H new ATOM 0 HB THR A 33 1.247 -16.060 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.014 -17.935 11.372 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.133 -15.839 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.199 -14.393 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.666 -15.578 9.737 1.00 0.00 H new ATOM 589 N LEU A 34 2.034 -13.347 9.473 1.00 0.00 N ATOM 590 CA LEU A 34 2.245 -11.917 9.662 1.00 0.00 C ATOM 591 C LEU A 34 0.978 -11.132 9.333 1.00 0.00 C ATOM 592 O LEU A 34 0.315 -11.398 8.331 1.00 0.00 O ATOM 593 CB LEU A 34 3.401 -11.432 8.787 1.00 0.00 C ATOM 594 CG LEU A 34 4.702 -12.227 8.892 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.622 -11.904 7.724 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.398 -11.941 10.215 1.00 0.00 C ATOM 0 H LEU A 34 1.647 -13.600 8.564 1.00 0.00 H new ATOM 0 HA LEU A 34 2.495 -11.746 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.074 -11.445 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.612 -10.393 9.042 1.00 0.00 H new ATOM 0 HG LEU A 34 4.459 -13.289 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.543 -12.480 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.126 -12.161 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.857 -10.840 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.322 -12.516 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.627 -10.878 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.743 -12.224 11.039 1.00 0.00 H new ATOM 608 N ARG A 35 0.651 -10.163 10.182 1.00 0.00 N ATOM 609 CA ARG A 35 -0.535 -9.339 9.980 1.00 0.00 C ATOM 610 C ARG A 35 -0.228 -7.869 10.252 1.00 0.00 C ATOM 611 O ARG A 35 0.716 -7.545 10.973 1.00 0.00 O ATOM 612 CB ARG A 35 -1.670 -9.811 10.891 1.00 0.00 C ATOM 613 CG ARG A 35 -1.426 -9.529 12.364 1.00 0.00 C ATOM 614 CD ARG A 35 -2.732 -9.443 13.138 1.00 0.00 C ATOM 615 NE ARG A 35 -2.511 -9.172 14.557 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.487 -9.121 15.456 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.745 -9.321 15.087 1.00 0.00 N ATOM 618 NH2 ARG A 35 -3.207 -8.868 16.728 1.00 0.00 N ATOM 0 H ARG A 35 1.190 -9.929 11.016 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.846 -9.441 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.596 -9.324 10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.813 -10.883 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.802 -10.316 12.788 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.876 -8.594 12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.355 -8.657 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.280 -10.379 13.029 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.555 -9.013 14.874 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.965 -9.515 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.492 -9.281 15.780 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.241 -8.712 17.016 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.958 -8.829 17.417 1.00 0.00 H new ATOM 632 N ARG A 36 -1.030 -6.985 9.668 1.00 0.00 N ATOM 633 CA ARG A 36 -0.843 -5.550 9.846 1.00 0.00 C ATOM 634 C ARG A 36 -2.184 -4.845 10.027 1.00 0.00 C ATOM 635 O ARG A 36 -3.172 -5.194 9.381 1.00 0.00 O ATOM 636 CB ARG A 36 -0.102 -4.959 8.645 1.00 0.00 C ATOM 637 CG ARG A 36 0.710 -3.720 8.981 1.00 0.00 C ATOM 638 CD ARG A 36 2.085 -4.084 9.521 1.00 0.00 C ATOM 639 NE ARG A 36 2.079 -4.242 10.973 1.00 0.00 N ATOM 640 CZ ARG A 36 1.781 -3.260 11.817 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.467 -2.058 11.357 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.797 -3.482 13.125 1.00 0.00 N ATOM 0 H ARG A 36 -1.815 -7.237 9.068 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.247 -5.395 10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.562 -5.717 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.826 -4.710 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.820 -3.103 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.175 -3.122 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.423 -5.011 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.800 -3.309 9.244 1.00 0.00 H new ATOM 0 HE ARG A 36 2.316 -5.155 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.453 -1.884 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.239 -1.306 12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.038 -4.406 13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.568 -2.728 13.773 1.00 0.00 H new ATOM 656 N ASP A 37 -2.211 -3.854 10.911 1.00 0.00 N ATOM 657 CA ASP A 37 -3.430 -3.099 11.178 1.00 0.00 C ATOM 658 C ASP A 37 -3.277 -1.647 10.738 1.00 0.00 C ATOM 659 O ASP A 37 -2.346 -0.957 11.153 1.00 0.00 O ATOM 660 CB ASP A 37 -3.778 -3.161 12.666 1.00 0.00 C ATOM 661 CG ASP A 37 -4.853 -2.163 13.051 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.938 -2.194 12.436 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.607 -1.352 13.968 1.00 0.00 O ATOM 0 H ASP A 37 -1.402 -3.554 11.455 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.240 -3.550 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.114 -4.167 12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.881 -2.969 13.254 1.00 0.00 H new ATOM 668 N PHE A 38 -4.197 -1.190 9.895 1.00 0.00 N ATOM 669 CA PHE A 38 -4.164 0.181 9.396 1.00 0.00 C ATOM 670 C PHE A 38 -5.429 0.935 9.795 1.00 0.00 C ATOM 671 O PHE A 38 -5.807 1.915 9.154 1.00 0.00 O ATOM 672 CB PHE A 38 -4.010 0.188 7.874 1.00 0.00 C ATOM 673 CG PHE A 38 -2.887 -0.679 7.380 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.567 -0.309 7.584 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.151 -1.864 6.714 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.532 -1.105 7.131 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.120 -2.664 6.258 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.809 -2.284 6.467 1.00 0.00 C ATOM 0 H PHE A 38 -4.975 -1.748 9.543 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.307 0.684 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.943 -0.147 7.421 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.842 1.212 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.345 0.612 8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.174 -2.167 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.492 -0.805 7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.340 -3.585 5.739 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.002 -2.908 6.112 1.00 0.00 H new ATOM 688 N ASN A 39 -6.079 0.469 10.856 1.00 0.00 N ATOM 689 CA ASN A 39 -7.303 1.098 11.340 1.00 0.00 C ATOM 690 C ASN A 39 -7.071 2.575 11.645 1.00 0.00 C ATOM 691 O ASN A 39 -7.620 3.452 10.978 1.00 0.00 O ATOM 692 CB ASN A 39 -7.809 0.380 12.593 1.00 0.00 C ATOM 693 CG ASN A 39 -9.038 1.044 13.183 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.040 2.247 13.445 1.00 0.00 O ATOM 695 ND2 ASN A 39 -10.089 0.262 13.395 1.00 0.00 N ATOM 0 H ASN A 39 -5.779 -0.342 11.397 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.057 1.021 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.042 -0.656 12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.017 0.358 13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.944 0.653 13.791 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.042 -0.730 13.162 1.00 0.00 H new ATOM 702 N HIS A 40 -6.253 2.843 12.659 1.00 0.00 N ATOM 703 CA HIS A 40 -5.946 4.214 13.052 1.00 0.00 C ATOM 704 C HIS A 40 -5.780 5.106 11.827 1.00 0.00 C ATOM 705 O HIS A 40 -6.027 6.311 11.886 1.00 0.00 O ATOM 706 CB HIS A 40 -4.677 4.250 13.902 1.00 0.00 C ATOM 707 CG HIS A 40 -3.474 3.694 13.205 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.529 2.604 12.362 1.00 0.00 N ATOM 709 CD2 HIS A 40 -2.177 4.083 13.229 1.00 0.00 C ATOM 710 CE1 HIS A 40 -2.319 2.346 11.899 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.480 3.230 12.409 1.00 0.00 N ATOM 0 H HIS A 40 -5.791 2.129 13.223 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.780 4.593 13.643 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.474 5.280 14.194 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.848 3.687 14.819 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.767 4.910 13.789 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.060 1.548 11.219 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.478 3.272 12.224 1.00 0.00 H new ATOM 719 N ILE A 41 -5.358 4.508 10.717 1.00 0.00 N ATOM 720 CA ILE A 41 -5.158 5.249 9.479 1.00 0.00 C ATOM 721 C ILE A 41 -6.387 5.160 8.580 1.00 0.00 C ATOM 722 O ILE A 41 -6.921 4.076 8.348 1.00 0.00 O ATOM 723 CB ILE A 41 -3.932 4.731 8.704 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.671 4.848 9.564 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.765 5.499 7.401 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.405 4.450 8.837 1.00 0.00 C ATOM 0 H ILE A 41 -5.148 3.512 10.651 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.989 6.289 9.758 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.090 3.679 8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.573 5.876 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.785 4.221 10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.894 5.121 6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.655 5.369 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.626 6.558 7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.552 4.558 9.507 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.483 3.412 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.267 5.093 7.968 1.00 0.00 H new ATOM 738 N ASN A 42 -6.829 6.307 8.077 1.00 0.00 N ATOM 739 CA ASN A 42 -7.995 6.359 7.202 1.00 0.00 C ATOM 740 C ASN A 42 -7.577 6.326 5.735 1.00 0.00 C ATOM 741 O ASN A 42 -7.062 7.310 5.203 1.00 0.00 O ATOM 742 CB ASN A 42 -8.813 7.621 7.483 1.00 0.00 C ATOM 743 CG ASN A 42 -9.872 7.400 8.546 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.789 6.598 8.367 1.00 0.00 O ATOM 745 ND2 ASN A 42 -9.748 8.111 9.661 1.00 0.00 N ATOM 0 H ASN A 42 -6.398 7.213 8.260 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.610 5.482 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.144 8.421 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.291 7.953 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.429 8.004 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.972 8.764 9.766 1.00 0.00 H new ATOM 752 N VAL A 43 -7.802 5.188 5.087 1.00 0.00 N ATOM 753 CA VAL A 43 -7.451 5.026 3.681 1.00 0.00 C ATOM 754 C VAL A 43 -8.534 4.262 2.928 1.00 0.00 C ATOM 755 O VAL A 43 -9.584 3.946 3.485 1.00 0.00 O ATOM 756 CB VAL A 43 -6.110 4.287 3.519 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.962 5.146 4.029 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.148 2.950 4.243 1.00 0.00 C ATOM 0 H VAL A 43 -8.226 4.364 5.513 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.359 6.028 3.261 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.946 4.096 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.022 4.607 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.924 6.076 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.117 5.371 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.192 2.441 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.335 3.116 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.944 2.333 3.827 1.00 0.00 H new ATOM 768 N GLU A 44 -8.269 3.968 1.659 1.00 0.00 N ATOM 769 CA GLU A 44 -9.222 3.240 0.829 1.00 0.00 C ATOM 770 C GLU A 44 -8.655 1.888 0.408 1.00 0.00 C ATOM 771 O GLU A 44 -7.518 1.795 -0.052 1.00 0.00 O ATOM 772 CB GLU A 44 -9.585 4.062 -0.410 1.00 0.00 C ATOM 773 CG GLU A 44 -10.610 5.150 -0.140 1.00 0.00 C ATOM 774 CD GLU A 44 -10.347 5.890 1.156 1.00 0.00 C ATOM 775 OE1 GLU A 44 -9.238 6.444 1.309 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.249 5.917 2.020 1.00 0.00 O ATOM 0 H GLU A 44 -7.403 4.222 1.184 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.122 3.069 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.680 4.519 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.972 3.393 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.607 5.860 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.605 4.706 -0.105 1.00 0.00 H new ATOM 783 N LEU A 45 -9.458 0.841 0.570 1.00 0.00 N ATOM 784 CA LEU A 45 -9.037 -0.508 0.209 1.00 0.00 C ATOM 785 C LEU A 45 -10.194 -1.294 -0.402 1.00 0.00 C ATOM 786 O LEU A 45 -11.345 -1.138 0.004 1.00 0.00 O ATOM 787 CB LEU A 45 -8.500 -1.243 1.437 1.00 0.00 C ATOM 788 CG LEU A 45 -7.461 -0.489 2.270 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.302 -1.134 3.636 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.126 -0.442 1.540 1.00 0.00 C ATOM 0 H LEU A 45 -10.403 0.901 0.949 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.243 -0.427 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.342 -1.493 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.059 -2.184 1.108 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.810 0.534 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.559 -0.584 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.257 -1.115 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.975 -2.167 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.399 0.098 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.771 -1.458 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.251 0.068 0.585 1.00 0.00 H new ATOM 802 N SER A 46 -9.878 -2.139 -1.377 1.00 0.00 N ATOM 803 CA SER A 46 -10.892 -2.949 -2.044 1.00 0.00 C ATOM 804 C SER A 46 -10.374 -4.360 -2.307 1.00 0.00 C ATOM 805 O SER A 46 -9.167 -4.581 -2.418 1.00 0.00 O ATOM 806 CB SER A 46 -11.311 -2.295 -3.362 1.00 0.00 C ATOM 807 OG SER A 46 -11.378 -0.885 -3.232 1.00 0.00 O ATOM 0 H SER A 46 -8.929 -2.281 -1.723 1.00 0.00 H new ATOM 0 HA SER A 46 -11.759 -3.015 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.599 -2.558 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.282 -2.682 -3.671 1.00 0.00 H new ATOM 0 HG SER A 46 -12.314 -0.597 -3.272 1.00 0.00 H new ATOM 813 N LEU A 47 -11.294 -5.313 -2.406 1.00 0.00 N ATOM 814 CA LEU A 47 -10.933 -6.703 -2.655 1.00 0.00 C ATOM 815 C LEU A 47 -11.237 -7.095 -4.097 1.00 0.00 C ATOM 816 O LEU A 47 -12.362 -6.933 -4.572 1.00 0.00 O ATOM 817 CB LEU A 47 -11.684 -7.627 -1.695 1.00 0.00 C ATOM 818 CG LEU A 47 -11.509 -9.127 -1.932 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.279 -9.644 -1.202 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.752 -9.886 -1.488 1.00 0.00 C ATOM 0 H LEU A 47 -12.297 -5.148 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.861 -6.809 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.363 -7.400 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.747 -7.392 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.368 -9.292 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.171 -10.713 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.394 -9.123 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.389 -9.466 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.610 -10.952 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.924 -9.713 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.614 -9.536 -2.056 1.00 0.00 H new ATOM 832 N LEU A 48 -10.228 -7.613 -4.790 1.00 0.00 N ATOM 833 CA LEU A 48 -10.389 -8.030 -6.179 1.00 0.00 C ATOM 834 C LEU A 48 -9.994 -9.492 -6.356 1.00 0.00 C ATOM 835 O LEU A 48 -9.021 -9.960 -5.765 1.00 0.00 O ATOM 836 CB LEU A 48 -9.544 -7.146 -7.099 1.00 0.00 C ATOM 837 CG LEU A 48 -9.745 -5.638 -6.951 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.960 -4.888 -8.014 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.224 -5.287 -7.029 1.00 0.00 C ATOM 0 H LEU A 48 -9.291 -7.754 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.440 -7.921 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.493 -7.371 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.758 -7.421 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.372 -5.335 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.116 -3.816 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.899 -5.115 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.302 -5.194 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.348 -4.209 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.623 -5.604 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.761 -5.796 -6.229 1.00 0.00 H new ATOM 851 N GLY A 49 -10.755 -10.211 -7.178 1.00 0.00 N ATOM 852 CA GLY A 49 -10.467 -11.612 -7.421 1.00 0.00 C ATOM 853 C GLY A 49 -10.671 -12.003 -8.872 1.00 0.00 C ATOM 854 O GLY A 49 -11.091 -13.121 -9.168 1.00 0.00 O ATOM 0 H GLY A 49 -11.565 -9.847 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.437 -11.823 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.108 -12.226 -6.789 1.00 0.00 H new ATOM 858 N LYS A 50 -10.375 -11.078 -9.779 1.00 0.00 N ATOM 859 CA LYS A 50 -10.529 -11.330 -11.207 1.00 0.00 C ATOM 860 C LYS A 50 -10.099 -12.752 -11.558 1.00 0.00 C ATOM 861 O LYS A 50 -10.832 -13.488 -12.218 1.00 0.00 O ATOM 862 CB LYS A 50 -9.707 -10.323 -12.014 1.00 0.00 C ATOM 863 CG LYS A 50 -10.206 -8.894 -11.893 1.00 0.00 C ATOM 864 CD LYS A 50 -11.416 -8.649 -12.779 1.00 0.00 C ATOM 865 CE LYS A 50 -11.878 -7.202 -12.705 1.00 0.00 C ATOM 866 NZ LYS A 50 -12.860 -6.989 -11.604 1.00 0.00 N ATOM 0 H LYS A 50 -10.027 -10.147 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.583 -11.215 -11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.669 -10.366 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.719 -10.615 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.466 -8.685 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.408 -8.204 -12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.170 -8.901 -13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.230 -9.308 -12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.016 -6.553 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.329 -6.916 -13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.151 -5.991 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.694 -7.590 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.421 -7.238 -10.695 1.00 0.00 H new ATOM 880 N LYS A 51 -8.906 -13.131 -11.111 1.00 0.00 N ATOM 881 CA LYS A 51 -8.379 -14.464 -11.375 1.00 0.00 C ATOM 882 C LYS A 51 -7.932 -15.138 -10.082 1.00 0.00 C ATOM 883 O LYS A 51 -8.195 -16.320 -9.862 1.00 0.00 O ATOM 884 CB LYS A 51 -7.205 -14.386 -12.354 1.00 0.00 C ATOM 885 CG LYS A 51 -7.571 -13.772 -13.694 1.00 0.00 C ATOM 886 CD LYS A 51 -6.493 -14.023 -14.736 1.00 0.00 C ATOM 887 CE LYS A 51 -5.212 -13.273 -14.405 1.00 0.00 C ATOM 888 NZ LYS A 51 -4.366 -14.020 -13.435 1.00 0.00 N ATOM 0 H LYS A 51 -8.286 -12.533 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.176 -15.061 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.404 -13.801 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.813 -15.390 -12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.517 -14.189 -14.040 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.720 -12.699 -13.575 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.285 -15.091 -14.796 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.854 -13.713 -15.717 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.647 -13.098 -15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.460 -12.295 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.355 -13.517 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.755 -14.975 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.396 -14.091 -13.803 1.00 0.00 H new ATOM 902 N LYS A 52 -7.255 -14.379 -9.227 1.00 0.00 N ATOM 903 CA LYS A 52 -6.773 -14.901 -7.953 1.00 0.00 C ATOM 904 C LYS A 52 -6.886 -13.848 -6.856 1.00 0.00 C ATOM 905 O LYS A 52 -7.011 -12.655 -7.136 1.00 0.00 O ATOM 906 CB LYS A 52 -5.320 -15.362 -8.085 1.00 0.00 C ATOM 907 CG LYS A 52 -4.950 -16.485 -7.133 1.00 0.00 C ATOM 908 CD LYS A 52 -3.539 -16.990 -7.388 1.00 0.00 C ATOM 909 CE LYS A 52 -3.459 -17.792 -8.677 1.00 0.00 C ATOM 910 NZ LYS A 52 -2.178 -18.545 -8.783 1.00 0.00 N ATOM 0 H LYS A 52 -7.027 -13.399 -9.393 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.395 -15.753 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.144 -15.692 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.660 -14.513 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.031 -16.133 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.657 -17.307 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.853 -16.145 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.217 -17.610 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.295 -18.490 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.557 -17.120 -9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.162 -19.079 -9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.381 -17.878 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.096 -19.205 -7.983 1.00 0.00 H new ATOM 924 N LYS A 53 -6.841 -14.295 -5.606 1.00 0.00 N ATOM 925 CA LYS A 53 -6.935 -13.392 -4.466 1.00 0.00 C ATOM 926 C LYS A 53 -6.045 -12.170 -4.664 1.00 0.00 C ATOM 927 O LYS A 53 -4.818 -12.270 -4.619 1.00 0.00 O ATOM 928 CB LYS A 53 -6.540 -14.120 -3.178 1.00 0.00 C ATOM 929 CG LYS A 53 -7.668 -14.938 -2.572 1.00 0.00 C ATOM 930 CD LYS A 53 -7.295 -15.469 -1.199 1.00 0.00 C ATOM 931 CE LYS A 53 -8.530 -15.731 -0.348 1.00 0.00 C ATOM 932 NZ LYS A 53 -9.209 -14.467 0.049 1.00 0.00 N ATOM 0 H LYS A 53 -6.740 -15.279 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.969 -13.057 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.696 -14.778 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.200 -13.387 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.564 -14.322 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.910 -15.771 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.724 -16.391 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.649 -14.751 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.227 -16.359 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.244 -16.286 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.816 -14.643 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.495 -13.750 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.791 -14.123 -0.741 1.00 0.00 H new ATOM 946 N ARG A 54 -6.669 -11.018 -4.882 1.00 0.00 N ATOM 947 CA ARG A 54 -5.933 -9.776 -5.087 1.00 0.00 C ATOM 948 C ARG A 54 -6.431 -8.686 -4.142 1.00 0.00 C ATOM 949 O ARG A 54 -7.602 -8.669 -3.759 1.00 0.00 O ATOM 950 CB ARG A 54 -6.069 -9.310 -6.538 1.00 0.00 C ATOM 951 CG ARG A 54 -5.142 -10.035 -7.500 1.00 0.00 C ATOM 952 CD ARG A 54 -5.417 -9.640 -8.942 1.00 0.00 C ATOM 953 NE ARG A 54 -4.507 -10.300 -9.874 1.00 0.00 N ATOM 954 CZ ARG A 54 -4.693 -10.328 -11.189 1.00 0.00 C ATOM 955 NH1 ARG A 54 -5.751 -9.735 -11.724 1.00 0.00 N ATOM 956 NH2 ARG A 54 -3.819 -10.948 -11.971 1.00 0.00 N ATOM 0 H ARG A 54 -7.683 -10.918 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.882 -9.967 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.100 -9.454 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.866 -8.240 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.106 -9.807 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.268 -11.112 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.445 -9.895 -9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.321 -8.559 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.683 -10.765 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.424 -9.256 -11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.892 -9.758 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.003 -11.404 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.963 -10.969 -12.981 1.00 0.00 H new ATOM 970 N LEU A 55 -5.535 -7.779 -3.770 1.00 0.00 N ATOM 971 CA LEU A 55 -5.884 -6.684 -2.870 1.00 0.00 C ATOM 972 C LEU A 55 -5.648 -5.333 -3.538 1.00 0.00 C ATOM 973 O LEU A 55 -4.564 -5.066 -4.056 1.00 0.00 O ATOM 974 CB LEU A 55 -5.065 -6.779 -1.581 1.00 0.00 C ATOM 975 CG LEU A 55 -4.954 -5.493 -0.761 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.312 -5.099 -0.201 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.941 -5.662 0.361 1.00 0.00 C ATOM 0 H LEU A 55 -4.562 -7.779 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.944 -6.768 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.505 -7.552 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.059 -7.111 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.609 -4.694 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.214 -4.182 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.011 -4.936 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.686 -5.897 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.875 -4.737 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.256 -6.474 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.965 -5.897 -0.063 1.00 0.00 H new ATOM 989 N ARG A 56 -6.670 -4.485 -3.521 1.00 0.00 N ATOM 990 CA ARG A 56 -6.575 -3.161 -4.124 1.00 0.00 C ATOM 991 C ARG A 56 -6.149 -2.123 -3.091 1.00 0.00 C ATOM 992 O ARG A 56 -6.791 -1.964 -2.052 1.00 0.00 O ATOM 993 CB ARG A 56 -7.916 -2.761 -4.743 1.00 0.00 C ATOM 994 CG ARG A 56 -7.794 -1.704 -5.829 1.00 0.00 C ATOM 995 CD ARG A 56 -9.155 -1.325 -6.391 1.00 0.00 C ATOM 996 NE ARG A 56 -9.845 -0.353 -5.548 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.014 0.193 -5.861 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.622 -0.136 -6.993 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.579 1.070 -5.041 1.00 0.00 N ATOM 0 H ARG A 56 -7.574 -4.691 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.819 -3.200 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.392 -3.647 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.573 -2.388 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.307 -0.818 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.158 -2.077 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.031 -0.913 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.769 -2.220 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.405 -0.078 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.192 -0.810 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.520 0.285 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.115 1.325 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.477 1.489 -5.283 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.062 -1.416 -3.383 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.550 -0.392 -2.480 1.00 0.00 C ATOM 1015 C VAL A 57 -4.882 1.006 -2.989 1.00 0.00 C ATOM 1016 O VAL A 57 -4.469 1.394 -4.082 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.025 -0.512 -2.300 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.502 0.605 -1.410 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -2.662 -1.875 -1.729 1.00 0.00 C ATOM 0 H VAL A 57 -4.519 -1.534 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.035 -0.550 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.553 -0.415 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.423 0.503 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.729 1.569 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.979 0.544 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.581 -1.943 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.144 -2.004 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.001 -2.656 -2.409 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.630 1.759 -2.191 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.017 3.115 -2.559 1.00 0.00 C ATOM 1031 C ASP A 58 -5.809 4.076 -1.393 1.00 0.00 C ATOM 1032 O ASP A 58 -6.345 3.873 -0.304 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.479 3.147 -3.009 1.00 0.00 C ATOM 1034 CG ASP A 58 -7.947 4.548 -3.354 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.601 5.490 -2.612 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.661 4.701 -4.367 1.00 0.00 O ATOM 0 H ASP A 58 -5.981 1.453 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.383 3.435 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.603 2.501 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.109 2.741 -2.218 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.026 5.124 -1.629 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.746 6.118 -0.599 1.00 0.00 C ATOM 1043 C LYS A 59 -5.526 7.403 -0.856 1.00 0.00 C ATOM 1044 O LYS A 59 -6.131 7.570 -1.915 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.247 6.420 -0.546 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.386 5.189 -0.319 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.444 4.726 1.127 1.00 0.00 C ATOM 1048 CE LYS A 59 -3.540 3.692 1.338 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.035 2.304 1.152 1.00 0.00 N ATOM 0 H LYS A 59 -4.574 5.307 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.062 5.709 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.947 6.895 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.058 7.138 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.721 4.384 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.354 5.411 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.482 4.301 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.620 5.583 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.951 3.798 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.355 3.879 0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.674 1.784 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.083 2.334 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.995 1.823 2.073 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.505 8.307 0.116 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.209 9.578 -0.007 1.00 0.00 C ATOM 1065 C TRP A 60 -6.077 10.138 -1.419 1.00 0.00 C ATOM 1066 O TRP A 60 -5.099 9.869 -2.114 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.667 10.586 1.007 1.00 0.00 C ATOM 1068 CG TRP A 60 -5.979 10.225 2.429 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.256 9.401 3.243 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -7.099 10.674 3.200 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.858 9.311 4.475 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -6.989 10.083 4.475 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -8.180 11.518 2.940 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -7.922 10.311 5.483 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -9.105 11.744 3.942 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -8.972 11.143 5.201 1.00 0.00 C ATOM 0 H TRP A 60 -5.008 8.184 0.998 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.265 9.401 0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.586 10.665 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.084 11.569 0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.345 8.894 2.960 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.518 8.759 5.262 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.292 11.986 1.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -7.821 9.848 6.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.945 12.395 3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.712 11.340 5.963 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.068 10.920 -1.835 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.061 11.518 -3.166 1.00 0.00 C ATOM 1089 C TRP A 61 -6.703 12.999 -3.094 1.00 0.00 C ATOM 1090 O TRP A 61 -7.559 13.841 -2.827 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.426 11.342 -3.833 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.937 9.934 -3.777 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.195 8.790 -3.836 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.304 9.524 -3.651 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.018 7.692 -3.755 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.316 8.116 -3.640 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.517 10.208 -3.544 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.494 7.382 -3.529 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.686 9.480 -3.434 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.668 8.078 -3.426 1.00 0.00 C ATOM 0 H TRP A 61 -7.885 11.154 -1.271 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.305 11.009 -3.763 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.146 12.002 -3.350 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.356 11.655 -4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.120 8.753 -3.932 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.712 6.719 -3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.541 11.288 -3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.482 6.302 -3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.629 9.999 -3.353 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.598 7.537 -3.337 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.433 13.309 -3.336 1.00 0.00 N ATOM 1112 CA GLY A 62 -4.985 14.689 -3.294 1.00 0.00 C ATOM 1113 C GLY A 62 -3.569 14.854 -3.805 1.00 0.00 C ATOM 1114 O GLY A 62 -3.257 14.461 -4.928 1.00 0.00 O ATOM 0 H GLY A 62 -4.706 12.629 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.658 15.304 -3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.043 15.056 -2.269 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.708 15.440 -2.979 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.316 15.660 -3.355 1.00 0.00 C ATOM 1120 C ASN A 63 -0.664 14.358 -3.814 1.00 0.00 C ATOM 1121 O ASN A 63 -1.320 13.318 -3.890 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.534 16.246 -2.178 1.00 0.00 C ATOM 1123 CG ASN A 63 0.654 17.075 -2.628 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.493 18.115 -3.268 1.00 0.00 O ATOM 1125 ND2 ASN A 63 1.855 16.616 -2.297 1.00 0.00 N ATOM 0 H ASN A 63 -2.950 15.771 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.298 16.368 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.199 16.866 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.186 15.436 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.691 17.130 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.941 15.750 -1.766 1.00 0.00 H new ATOM 1132 N ARG A 64 0.627 14.424 -4.117 1.00 0.00 N ATOM 1133 CA ARG A 64 1.367 13.251 -4.569 1.00 0.00 C ATOM 1134 C ARG A 64 1.839 12.416 -3.382 1.00 0.00 C ATOM 1135 O ARG A 64 2.802 11.656 -3.488 1.00 0.00 O ATOM 1136 CB ARG A 64 2.566 13.675 -5.418 1.00 0.00 C ATOM 1137 CG ARG A 64 2.181 14.345 -6.726 1.00 0.00 C ATOM 1138 CD ARG A 64 3.408 14.756 -7.525 1.00 0.00 C ATOM 1139 NE ARG A 64 3.087 15.016 -8.926 1.00 0.00 N ATOM 1140 CZ ARG A 64 2.961 14.062 -9.840 1.00 0.00 C ATOM 1141 NH1 ARG A 64 3.126 12.791 -9.504 1.00 0.00 N ATOM 1142 NH2 ARG A 64 2.667 14.378 -11.095 1.00 0.00 N ATOM 0 H ARG A 64 1.183 15.277 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 64 0.698 12.641 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.187 14.359 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.175 12.797 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.571 13.664 -7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.569 15.223 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.847 15.650 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.160 13.969 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 64 2.952 15.984 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.351 12.543 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.028 12.060 -10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.538 15.355 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.570 13.644 -11.797 1.00 0.00 H new ATOM 1156 N LYS A 65 1.155 12.563 -2.252 1.00 0.00 N ATOM 1157 CA LYS A 65 1.503 11.822 -1.046 1.00 0.00 C ATOM 1158 C LYS A 65 0.997 10.385 -1.124 1.00 0.00 C ATOM 1159 O LYS A 65 1.613 9.472 -0.577 1.00 0.00 O ATOM 1160 CB LYS A 65 0.917 12.513 0.188 1.00 0.00 C ATOM 1161 CG LYS A 65 1.223 11.795 1.491 1.00 0.00 C ATOM 1162 CD LYS A 65 2.615 12.130 1.998 1.00 0.00 C ATOM 1163 CE LYS A 65 2.664 13.522 2.612 1.00 0.00 C ATOM 1164 NZ LYS A 65 2.031 13.557 3.959 1.00 0.00 N ATOM 0 H LYS A 65 0.356 13.189 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 65 2.590 11.802 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.306 13.530 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.164 12.591 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.484 12.073 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.138 10.718 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.920 11.393 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.328 12.068 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.701 13.848 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.156 14.227 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.218 14.477 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.004 13.420 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.428 12.798 4.549 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.125 10.194 -1.809 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.712 8.868 -1.959 1.00 0.00 C ATOM 1180 C GLU A 66 0.287 7.899 -2.587 1.00 0.00 C ATOM 1181 O GLU A 66 0.337 6.723 -2.228 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.977 8.939 -2.816 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.784 9.683 -4.127 1.00 0.00 C ATOM 1184 CD GLU A 66 -1.354 8.770 -5.259 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -1.704 7.572 -5.221 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -0.666 9.254 -6.182 1.00 0.00 O ATOM 0 H GLU A 66 -0.646 10.941 -2.269 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.975 8.501 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.318 7.926 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.766 9.427 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.716 10.179 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.035 10.463 -3.991 1.00 0.00 H new ATOM 1193 N LEU A 67 1.080 8.403 -3.526 1.00 0.00 N ATOM 1194 CA LEU A 67 2.078 7.584 -4.205 1.00 0.00 C ATOM 1195 C LEU A 67 3.066 6.990 -3.206 1.00 0.00 C ATOM 1196 O LEU A 67 3.321 5.786 -3.211 1.00 0.00 O ATOM 1197 CB LEU A 67 2.827 8.417 -5.248 1.00 0.00 C ATOM 1198 CG LEU A 67 4.136 7.822 -5.766 1.00 0.00 C ATOM 1199 CD1 LEU A 67 3.875 6.920 -6.963 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.116 8.927 -6.133 1.00 0.00 C ATOM 0 H LEU A 67 1.051 9.375 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 67 1.561 6.766 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.164 8.581 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.041 9.395 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 67 4.578 7.220 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.818 6.505 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.210 6.108 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.410 7.499 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.042 8.485 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.681 9.556 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.327 9.533 -5.252 1.00 0.00 H new ATOM 1212 N ALA A 68 3.617 7.843 -2.350 1.00 0.00 N ATOM 1213 CA ALA A 68 4.574 7.402 -1.342 1.00 0.00 C ATOM 1214 C ALA A 68 3.913 6.481 -0.323 1.00 0.00 C ATOM 1215 O ALA A 68 4.486 5.468 0.079 1.00 0.00 O ATOM 1216 CB ALA A 68 5.199 8.603 -0.645 1.00 0.00 C ATOM 0 H ALA A 68 3.418 8.843 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 68 5.360 6.839 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.911 8.259 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.716 9.222 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.418 9.190 -0.161 1.00 0.00 H new ATOM 1222 N THR A 69 2.703 6.840 0.096 1.00 0.00 N ATOM 1223 CA THR A 69 1.965 6.047 1.070 1.00 0.00 C ATOM 1224 C THR A 69 1.721 4.633 0.557 1.00 0.00 C ATOM 1225 O THR A 69 1.821 3.663 1.309 1.00 0.00 O ATOM 1226 CB THR A 69 0.610 6.697 1.412 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.706 8.121 1.295 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.173 6.326 2.820 1.00 0.00 C ATOM 0 H THR A 69 2.214 7.676 -0.225 1.00 0.00 H new ATOM 0 HA THR A 69 2.577 6.003 1.971 1.00 0.00 H new ATOM 0 HB THR A 69 -0.135 6.325 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.659 8.375 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.786 6.796 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.072 5.243 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.919 6.672 3.536 1.00 0.00 H new ATOM 1236 N VAL A 70 1.403 4.520 -0.729 1.00 0.00 N ATOM 1237 CA VAL A 70 1.148 3.224 -1.342 1.00 0.00 C ATOM 1238 C VAL A 70 2.424 2.392 -1.421 1.00 0.00 C ATOM 1239 O VAL A 70 2.399 1.179 -1.210 1.00 0.00 O ATOM 1240 CB VAL A 70 0.563 3.378 -2.759 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.705 2.081 -3.541 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.894 3.811 -2.688 1.00 0.00 C ATOM 0 H VAL A 70 1.316 5.312 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 70 0.422 2.713 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 70 1.124 4.152 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.286 2.210 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.760 1.818 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.171 1.284 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.292 3.915 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.470 3.061 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.965 4.767 -2.170 1.00 0.00 H new ATOM 1252 N ARG A 71 3.536 3.052 -1.723 1.00 0.00 N ATOM 1253 CA ARG A 71 4.823 2.374 -1.828 1.00 0.00 C ATOM 1254 C ARG A 71 5.188 1.693 -0.512 1.00 0.00 C ATOM 1255 O ARG A 71 5.655 0.554 -0.498 1.00 0.00 O ATOM 1256 CB ARG A 71 5.916 3.367 -2.222 1.00 0.00 C ATOM 1257 CG ARG A 71 5.779 3.894 -3.641 1.00 0.00 C ATOM 1258 CD ARG A 71 6.074 2.812 -4.668 1.00 0.00 C ATOM 1259 NE ARG A 71 7.288 2.067 -4.345 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.528 0.832 -4.772 1.00 0.00 C ATOM 1261 NH1 ARG A 71 6.643 0.207 -5.535 1.00 0.00 N ATOM 1262 NH2 ARG A 71 8.657 0.220 -4.436 1.00 0.00 N ATOM 0 H ARG A 71 3.573 4.056 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 71 4.741 1.610 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.898 4.208 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.888 2.886 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.769 4.276 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.461 4.731 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.230 2.124 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.179 3.266 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 71 7.990 2.520 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.775 0.674 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.830 -0.741 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.341 0.698 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.840 -0.728 -4.764 1.00 0.00 H new ATOM 1276 N THR A 72 4.972 2.398 0.593 1.00 0.00 N ATOM 1277 CA THR A 72 5.279 1.865 1.914 1.00 0.00 C ATOM 1278 C THR A 72 4.389 0.674 2.247 1.00 0.00 C ATOM 1279 O THR A 72 4.873 -0.385 2.645 1.00 0.00 O ATOM 1280 CB THR A 72 5.114 2.937 3.006 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.974 4.050 2.735 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.435 2.366 4.380 1.00 0.00 C ATOM 0 H THR A 72 4.585 3.342 0.599 1.00 0.00 H new ATOM 0 HA THR A 72 6.320 1.541 1.889 1.00 0.00 H new ATOM 0 HB THR A 72 4.076 3.270 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.861 4.728 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.311 3.143 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.760 1.538 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.464 2.008 4.394 1.00 0.00 H new ATOM 1290 N ILE A 73 3.082 0.854 2.080 1.00 0.00 N ATOM 1291 CA ILE A 73 2.123 -0.207 2.362 1.00 0.00 C ATOM 1292 C ILE A 73 2.375 -1.424 1.480 1.00 0.00 C ATOM 1293 O ILE A 73 2.423 -2.556 1.964 1.00 0.00 O ATOM 1294 CB ILE A 73 0.675 0.274 2.154 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.340 1.396 3.138 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.297 -0.886 2.315 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.136 1.722 3.204 1.00 0.00 C ATOM 0 H ILE A 73 2.664 1.724 1.751 1.00 0.00 H new ATOM 0 HA ILE A 73 2.258 -0.485 3.407 1.00 0.00 H new ATOM 0 HB ILE A 73 0.580 0.665 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.686 1.112 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.890 2.293 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.316 -0.530 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.070 -1.656 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.202 -1.304 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.299 2.526 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.483 2.037 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.690 0.838 3.518 1.00 0.00 H new ATOM 1309 N CYS A 74 2.537 -1.184 0.183 1.00 0.00 N ATOM 1310 CA CYS A 74 2.786 -2.262 -0.769 1.00 0.00 C ATOM 1311 C CYS A 74 3.986 -3.100 -0.339 1.00 0.00 C ATOM 1312 O CYS A 74 3.935 -4.330 -0.361 1.00 0.00 O ATOM 1313 CB CYS A 74 3.023 -1.690 -2.167 1.00 0.00 C ATOM 1314 SG CYS A 74 3.695 -2.882 -3.348 1.00 0.00 S ATOM 0 H CYS A 74 2.500 -0.254 -0.233 1.00 0.00 H new ATOM 0 HA CYS A 74 1.906 -2.905 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.080 -1.303 -2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.707 -0.845 -2.091 1.00 0.00 H new ATOM 0 HG CYS A 74 3.859 -2.305 -4.501 1.00 0.00 H new ATOM 1320 N SER A 75 5.064 -2.427 0.050 1.00 0.00 N ATOM 1321 CA SER A 75 6.277 -3.109 0.480 1.00 0.00 C ATOM 1322 C SER A 75 6.014 -3.960 1.718 1.00 0.00 C ATOM 1323 O SER A 75 6.563 -5.053 1.864 1.00 0.00 O ATOM 1324 CB SER A 75 7.384 -2.093 0.771 1.00 0.00 C ATOM 1325 OG SER A 75 8.484 -2.708 1.417 1.00 0.00 O ATOM 0 H SER A 75 5.121 -1.409 0.076 1.00 0.00 H new ATOM 0 HA SER A 75 6.599 -3.766 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.715 -1.635 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.991 -1.292 1.398 1.00 0.00 H new ATOM 0 HG SER A 75 9.178 -2.038 1.590 1.00 0.00 H new ATOM 1331 N HIS A 76 5.169 -3.451 2.610 1.00 0.00 N ATOM 1332 CA HIS A 76 4.830 -4.163 3.836 1.00 0.00 C ATOM 1333 C HIS A 76 4.087 -5.458 3.525 1.00 0.00 C ATOM 1334 O HIS A 76 4.453 -6.529 4.012 1.00 0.00 O ATOM 1335 CB HIS A 76 3.978 -3.279 4.746 1.00 0.00 C ATOM 1336 CG HIS A 76 4.760 -2.215 5.452 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.976 -2.452 6.058 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.495 -0.901 5.645 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.425 -1.331 6.595 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.545 -0.375 6.358 1.00 0.00 N ATOM 0 H HIS A 76 4.707 -2.548 2.506 1.00 0.00 H new ATOM 0 HA HIS A 76 5.758 -4.412 4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.195 -2.808 4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.482 -3.906 5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.621 -0.366 5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.353 -1.216 7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.631 0.597 6.656 1.00 0.00 H new ATOM 1348 N VAL A 77 3.042 -5.355 2.711 1.00 0.00 N ATOM 1349 CA VAL A 77 2.248 -6.518 2.334 1.00 0.00 C ATOM 1350 C VAL A 77 3.085 -7.526 1.554 1.00 0.00 C ATOM 1351 O VAL A 77 3.088 -8.717 1.867 1.00 0.00 O ATOM 1352 CB VAL A 77 1.029 -6.114 1.484 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.196 -7.336 1.127 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.186 -5.081 2.218 1.00 0.00 C ATOM 0 H VAL A 77 2.725 -4.477 2.299 1.00 0.00 H new ATOM 0 HA VAL A 77 1.901 -6.977 3.260 1.00 0.00 H new ATOM 0 HB VAL A 77 1.388 -5.666 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.661 -7.030 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.805 -8.038 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.155 -7.817 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.671 -4.807 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.164 -5.501 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.788 -4.194 2.417 1.00 0.00 H new ATOM 1364 N GLN A 78 3.792 -7.041 0.540 1.00 0.00 N ATOM 1365 CA GLN A 78 4.634 -7.900 -0.284 1.00 0.00 C ATOM 1366 C GLN A 78 5.733 -8.548 0.551 1.00 0.00 C ATOM 1367 O GLN A 78 6.018 -9.737 0.406 1.00 0.00 O ATOM 1368 CB GLN A 78 5.252 -7.098 -1.429 1.00 0.00 C ATOM 1369 CG GLN A 78 4.237 -6.612 -2.451 1.00 0.00 C ATOM 1370 CD GLN A 78 3.537 -7.753 -3.164 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.460 -8.252 -2.569 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 3.960 -8.180 -4.239 1.00 0.00 N flip ATOM 0 H GLN A 78 3.799 -6.058 0.269 1.00 0.00 H new ATOM 0 HA GLN A 78 4.007 -8.689 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.779 -6.238 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.996 -7.715 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.494 -5.989 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.739 -5.983 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.792 -7.766 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.479 -8.947 -4.708 1.00 0.00 H new ATOM 1381 N ASN A 79 6.349 -7.759 1.425 1.00 0.00 N ATOM 1382 CA ASN A 79 7.418 -8.255 2.283 1.00 0.00 C ATOM 1383 C ASN A 79 6.905 -9.348 3.216 1.00 0.00 C ATOM 1384 O ASN A 79 7.626 -10.291 3.540 1.00 0.00 O ATOM 1385 CB ASN A 79 8.016 -7.110 3.102 1.00 0.00 C ATOM 1386 CG ASN A 79 9.152 -7.570 3.996 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.807 -8.574 3.718 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.391 -6.834 5.076 1.00 0.00 N ATOM 0 H ASN A 79 6.126 -6.773 1.558 1.00 0.00 H new ATOM 0 HA ASN A 79 8.193 -8.680 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.380 -6.335 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.235 -6.659 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.143 -7.094 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.822 -6.009 5.267 1.00 0.00 H new ATOM 1395 N MET A 80 5.653 -9.214 3.643 1.00 0.00 N ATOM 1396 CA MET A 80 5.042 -10.191 4.536 1.00 0.00 C ATOM 1397 C MET A 80 4.884 -11.539 3.841 1.00 0.00 C ATOM 1398 O MET A 80 5.247 -12.579 4.393 1.00 0.00 O ATOM 1399 CB MET A 80 3.680 -9.690 5.019 1.00 0.00 C ATOM 1400 CG MET A 80 3.772 -8.571 6.044 1.00 0.00 C ATOM 1401 SD MET A 80 2.245 -7.622 6.176 1.00 0.00 S ATOM 1402 CE MET A 80 1.353 -8.584 7.395 1.00 0.00 C ATOM 0 H MET A 80 5.043 -8.439 3.385 1.00 0.00 H new ATOM 0 HA MET A 80 5.699 -10.321 5.396 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.106 -9.339 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.128 -10.524 5.452 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.017 -8.995 7.018 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.589 -7.902 5.773 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.363 -8.153 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.252 -9.611 7.045 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.900 -8.574 8.338 1.00 0.00 H new ATOM 1412 N ILE A 81 4.340 -11.515 2.629 1.00 0.00 N ATOM 1413 CA ILE A 81 4.135 -12.735 1.859 1.00 0.00 C ATOM 1414 C ILE A 81 5.449 -13.478 1.645 1.00 0.00 C ATOM 1415 O ILE A 81 5.541 -14.682 1.880 1.00 0.00 O ATOM 1416 CB ILE A 81 3.497 -12.437 0.490 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.204 -11.639 0.668 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.227 -13.731 -0.263 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.715 -10.988 -0.607 1.00 0.00 C ATOM 0 H ILE A 81 4.033 -10.663 2.159 1.00 0.00 H new ATOM 0 HA ILE A 81 3.456 -13.362 2.437 1.00 0.00 H new ATOM 0 HB ILE A 81 4.194 -11.838 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.427 -12.302 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.363 -10.868 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.776 -13.503 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.165 -14.264 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.546 -14.354 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.795 -10.440 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.474 -10.299 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.523 -11.755 -1.357 1.00 0.00 H new ATOM 1431 N LYS A 82 6.467 -12.750 1.197 1.00 0.00 N ATOM 1432 CA LYS A 82 7.780 -13.335 0.953 1.00 0.00 C ATOM 1433 C LYS A 82 8.384 -13.874 2.246 1.00 0.00 C ATOM 1434 O LYS A 82 8.975 -14.953 2.264 1.00 0.00 O ATOM 1435 CB LYS A 82 8.717 -12.298 0.331 1.00 0.00 C ATOM 1436 CG LYS A 82 8.703 -12.297 -1.187 1.00 0.00 C ATOM 1437 CD LYS A 82 7.366 -11.821 -1.731 1.00 0.00 C ATOM 1438 CE LYS A 82 6.405 -12.982 -1.941 1.00 0.00 C ATOM 1439 NZ LYS A 82 5.172 -12.557 -2.659 1.00 0.00 N ATOM 0 H LYS A 82 6.407 -11.752 0.995 1.00 0.00 H new ATOM 0 HA LYS A 82 7.657 -14.165 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.437 -11.307 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.734 -12.486 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.499 -11.652 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.910 -13.302 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.925 -11.103 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.521 -11.300 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.903 -13.768 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.134 -13.409 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.480 -13.333 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.765 -11.724 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.409 -12.317 -3.643 1.00 0.00 H new ATOM 1453 N GLY A 83 8.230 -13.114 3.327 1.00 0.00 N ATOM 1454 CA GLY A 83 8.766 -13.533 4.609 1.00 0.00 C ATOM 1455 C GLY A 83 8.061 -14.756 5.160 1.00 0.00 C ATOM 1456 O GLY A 83 8.669 -15.570 5.857 1.00 0.00 O ATOM 0 H GLY A 83 7.744 -12.217 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.829 -13.748 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.676 -12.714 5.322 1.00 0.00 H new ATOM 1460 N VAL A 84 6.776 -14.888 4.848 1.00 0.00 N ATOM 1461 CA VAL A 84 5.988 -16.022 5.317 1.00 0.00 C ATOM 1462 C VAL A 84 6.030 -17.172 4.318 1.00 0.00 C ATOM 1463 O VAL A 84 5.570 -18.277 4.605 1.00 0.00 O ATOM 1464 CB VAL A 84 4.521 -15.622 5.563 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.440 -14.463 6.544 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.839 -15.268 4.249 1.00 0.00 C ATOM 0 H VAL A 84 6.258 -14.224 4.272 1.00 0.00 H new ATOM 0 HA VAL A 84 6.431 -16.347 6.258 1.00 0.00 H new ATOM 0 HB VAL A 84 3.999 -16.473 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.396 -14.195 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.890 -14.757 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.977 -13.605 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.803 -14.988 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.361 -14.433 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.864 -16.130 3.582 1.00 0.00 H new ATOM 1476 N THR A 85 6.586 -16.904 3.140 1.00 0.00 N ATOM 1477 CA THR A 85 6.688 -17.916 2.096 1.00 0.00 C ATOM 1478 C THR A 85 8.139 -18.322 1.863 1.00 0.00 C ATOM 1479 O THR A 85 8.415 -19.371 1.282 1.00 0.00 O ATOM 1480 CB THR A 85 6.087 -17.417 0.769 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.721 -16.197 0.372 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.587 -17.194 0.904 1.00 0.00 C ATOM 0 H THR A 85 6.972 -15.995 2.886 1.00 0.00 H new ATOM 0 HA THR A 85 6.122 -18.782 2.440 1.00 0.00 H new ATOM 0 HB THR A 85 6.259 -18.179 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.554 -15.507 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.185 -16.842 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.103 -18.131 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.398 -16.449 1.677 1.00 0.00 H new ATOM 1490 N LEU A 86 9.063 -17.482 2.320 1.00 0.00 N ATOM 1491 CA LEU A 86 10.487 -17.754 2.161 1.00 0.00 C ATOM 1492 C LEU A 86 11.156 -17.961 3.516 1.00 0.00 C ATOM 1493 O LEU A 86 11.890 -18.928 3.716 1.00 0.00 O ATOM 1494 CB LEU A 86 11.166 -16.604 1.415 1.00 0.00 C ATOM 1495 CG LEU A 86 10.497 -16.160 0.114 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.233 -14.973 -0.488 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.440 -17.314 -0.877 1.00 0.00 C ATOM 0 H LEU A 86 8.851 -16.609 2.803 1.00 0.00 H new ATOM 0 HA LEU A 86 10.594 -18.670 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.220 -15.745 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.191 -16.898 1.191 1.00 0.00 H new ATOM 0 HG LEU A 86 9.477 -15.851 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.742 -14.672 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.221 -14.142 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.265 -15.254 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.961 -16.980 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.452 -17.654 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.867 -18.135 -0.447 1.00 0.00 H new