USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ -117:sc= 0.208 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.842 K(o=-0.63,f=-2.6) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.453 X(o=-3.3,f=-3.3) USER MOD Set 2.2: A 90 HIS : no HE2:sc= -2.85! C(o=-3.3!,f=-9.6!) USER MOD Single : A 16 SER OG : rot -5:sc= 0.329 USER MOD Single : A 22 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.022) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.32) USER MOD Single : A 36 ASN : amide:sc= -1.82! C(o=-1.8!,f=-3.6!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= -0.132 (180deg=-0.54) USER MOD Single : A 43 SER OG : rot 139:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -110:sc= 0.0325 USER MOD Single : A 50 ASN : amide:sc= 1.09 K(o=1.1,f=-0.72) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -67:sc= -0.83! USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= -0.356 (180deg=-2) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.28! C(o=-1.3!,f=-5.8!) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0147 (180deg=-0.157) USER MOD Single : A 84 TYR OH : rot 151:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 137:sc= -0.0318 (180deg=-0.236) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0166 (180deg=-0.162) USER MOD Single : A 89 GLN : amide:sc= -1.97! C(o=-2!,f=-4.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -12.238 -1.692 1.693 1.00 0.00 N ATOM 210 CA ASP A 15 -11.599 -1.492 0.414 1.00 0.00 C ATOM 211 C ASP A 15 -10.633 -0.328 0.552 1.00 0.00 C ATOM 212 O ASP A 15 -10.144 0.207 -0.437 1.00 0.00 O ATOM 213 CB ASP A 15 -12.688 -1.051 -0.586 1.00 0.00 C ATOM 214 CG ASP A 15 -13.266 0.348 -0.253 1.00 0.00 C ATOM 215 OD1 ASP A 15 -13.402 0.697 0.952 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.548 1.119 -1.177 1.00 0.00 O ATOM 0 HA ASP A 15 -11.090 -2.399 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.269 -1.038 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.495 -1.784 -0.586 1.00 0.00 H new ATOM 221 N SER A 16 -10.362 0.056 1.772 1.00 0.00 N ATOM 222 CA SER A 16 -9.686 1.295 1.999 1.00 0.00 C ATOM 223 C SER A 16 -8.175 1.200 2.313 1.00 0.00 C ATOM 224 O SER A 16 -7.584 2.205 2.727 1.00 0.00 O ATOM 225 CB SER A 16 -10.419 2.030 3.109 1.00 0.00 C ATOM 226 OG SER A 16 -11.833 1.988 2.895 1.00 0.00 O ATOM 0 H SER A 16 -10.599 -0.470 2.613 1.00 0.00 H new ATOM 0 HA SER A 16 -9.713 1.837 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.178 1.579 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.083 3.066 3.150 1.00 0.00 H new ATOM 0 HG SER A 16 -12.021 1.557 2.035 1.00 0.00 H new ATOM 232 N VAL A 17 -7.541 0.064 2.135 1.00 0.00 N ATOM 233 CA VAL A 17 -6.115 0.011 2.429 1.00 0.00 C ATOM 234 C VAL A 17 -5.419 -1.120 1.674 1.00 0.00 C ATOM 235 O VAL A 17 -5.999 -2.188 1.470 1.00 0.00 O ATOM 236 CB VAL A 17 -5.848 -0.134 3.972 1.00 0.00 C ATOM 237 CG1 VAL A 17 -6.310 -1.489 4.510 1.00 0.00 C ATOM 238 CG2 VAL A 17 -4.382 0.137 4.314 1.00 0.00 C ATOM 0 H VAL A 17 -7.961 -0.804 1.803 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.695 0.958 2.090 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.448 0.626 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.106 -1.545 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.380 -1.603 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.773 -2.287 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.233 0.028 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.748 -0.575 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.119 1.151 4.012 1.00 0.00 H new ATOM 248 N ILE A 18 -4.219 -0.864 1.208 1.00 0.00 N ATOM 249 CA ILE A 18 -3.401 -1.917 0.657 1.00 0.00 C ATOM 250 C ILE A 18 -2.427 -2.307 1.710 1.00 0.00 C ATOM 251 O ILE A 18 -1.795 -1.451 2.338 1.00 0.00 O ATOM 252 CB ILE A 18 -2.567 -1.495 -0.567 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.416 -0.810 -1.600 1.00 0.00 C ATOM 254 CG2 ILE A 18 -1.824 -2.696 -1.186 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.499 -1.673 -2.178 1.00 0.00 C ATOM 0 H ILE A 18 -3.789 0.061 1.200 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.076 -2.712 0.340 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.821 -0.782 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.871 0.073 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.774 -0.462 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.246 -2.361 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.153 -3.130 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.547 -3.447 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.065 -1.102 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.053 -2.544 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.167 -2.000 -1.382 1.00 0.00 H new ATOM 267 N VAL A 19 -2.321 -3.547 1.887 1.00 0.00 N ATOM 268 CA VAL A 19 -1.415 -4.148 2.809 1.00 0.00 C ATOM 269 C VAL A 19 -0.778 -5.307 2.102 1.00 0.00 C ATOM 270 O VAL A 19 -1.449 -6.305 1.790 1.00 0.00 O ATOM 271 CB VAL A 19 -2.106 -4.689 4.083 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.100 -5.327 5.022 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.937 -3.636 4.798 1.00 0.00 C ATOM 0 H VAL A 19 -2.885 -4.226 1.376 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.702 -3.388 3.129 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.804 -5.459 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.614 -5.698 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.605 -6.156 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.357 -4.586 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.397 -4.075 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.295 -2.807 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.716 -3.270 4.128 1.00 0.00 H new ATOM 283 N VAL A 20 0.461 -5.154 1.801 1.00 0.00 N ATOM 284 CA VAL A 20 1.232 -6.189 1.159 1.00 0.00 C ATOM 285 C VAL A 20 2.279 -6.698 2.109 1.00 0.00 C ATOM 286 O VAL A 20 3.073 -5.921 2.649 1.00 0.00 O ATOM 287 CB VAL A 20 1.878 -5.736 -0.187 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.832 -5.649 -1.280 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.546 -4.389 -0.035 1.00 0.00 C ATOM 0 H VAL A 20 0.987 -4.301 1.991 1.00 0.00 H new ATOM 0 HA VAL A 20 0.541 -6.992 0.901 1.00 0.00 H new ATOM 0 HB VAL A 20 2.626 -6.480 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.303 -5.331 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.372 -6.627 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.068 -4.926 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.989 -4.093 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.806 -3.648 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.325 -4.453 0.724 1.00 0.00 H new ATOM 299 N ASP A 21 2.253 -7.978 2.348 1.00 0.00 N ATOM 300 CA ASP A 21 3.187 -8.589 3.273 1.00 0.00 C ATOM 301 C ASP A 21 4.347 -9.187 2.526 1.00 0.00 C ATOM 302 O ASP A 21 4.166 -9.704 1.432 1.00 0.00 O ATOM 303 CB ASP A 21 2.513 -9.650 4.145 1.00 0.00 C ATOM 304 CG ASP A 21 3.482 -10.247 5.150 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.110 -9.482 5.915 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.677 -11.486 5.164 1.00 0.00 O ATOM 0 H ASP A 21 1.595 -8.628 1.917 1.00 0.00 H new ATOM 0 HA ASP A 21 3.554 -7.805 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.669 -9.205 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.112 -10.441 3.511 1.00 0.00 H new ATOM 311 N ASN A 22 5.509 -9.104 3.141 1.00 0.00 N ATOM 312 CA ASN A 22 6.813 -9.541 2.617 1.00 0.00 C ATOM 313 C ASN A 22 7.115 -9.205 1.172 1.00 0.00 C ATOM 314 O ASN A 22 6.959 -10.019 0.248 1.00 0.00 O ATOM 315 CB ASN A 22 7.346 -10.907 3.116 1.00 0.00 C ATOM 316 CG ASN A 22 6.433 -12.115 2.953 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.465 -13.020 3.786 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.660 -12.174 1.920 1.00 0.00 N ATOM 0 H ASN A 22 5.587 -8.707 4.078 1.00 0.00 H new ATOM 0 HA ASN A 22 7.467 -8.847 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.279 -11.116 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.589 -10.808 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.057 -12.985 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.653 -11.410 1.244 1.00 0.00 H new ATOM 325 N VAL A 23 7.524 -7.965 1.010 1.00 0.00 N ATOM 326 CA VAL A 23 7.923 -7.386 -0.229 1.00 0.00 C ATOM 327 C VAL A 23 9.450 -7.578 -0.385 1.00 0.00 C ATOM 328 O VAL A 23 10.114 -8.012 0.577 1.00 0.00 O ATOM 329 CB VAL A 23 7.564 -5.848 -0.236 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.086 -5.634 0.035 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.413 -5.057 0.763 1.00 0.00 C ATOM 0 H VAL A 23 7.586 -7.309 1.789 1.00 0.00 H new ATOM 0 HA VAL A 23 7.403 -7.867 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 23 7.793 -5.471 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.865 -4.567 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.499 -6.134 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.831 -6.048 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.133 -4.004 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.244 -5.441 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.467 -5.161 0.507 1.00 0.00 H new ATOM 341 N PRO A 24 10.004 -7.323 -1.599 1.00 0.00 N ATOM 342 CA PRO A 24 11.445 -7.376 -1.860 1.00 0.00 C ATOM 343 C PRO A 24 12.279 -6.678 -0.799 1.00 0.00 C ATOM 344 O PRO A 24 12.018 -5.523 -0.428 1.00 0.00 O ATOM 345 CB PRO A 24 11.600 -6.667 -3.199 1.00 0.00 C ATOM 346 CG PRO A 24 10.304 -6.878 -3.890 1.00 0.00 C ATOM 347 CD PRO A 24 9.254 -7.011 -2.815 1.00 0.00 C ATOM 0 HA PRO A 24 11.802 -8.406 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.808 -5.606 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.427 -7.083 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.077 -6.041 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.338 -7.774 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.684 -6.089 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.541 -7.800 -3.054 1.00 0.00 H new ATOM 355 N GLN A 25 13.262 -7.396 -0.314 1.00 0.00 N ATOM 356 CA GLN A 25 14.170 -6.893 0.676 1.00 0.00 C ATOM 357 C GLN A 25 15.099 -5.872 0.002 1.00 0.00 C ATOM 358 O GLN A 25 15.314 -5.942 -1.224 1.00 0.00 O ATOM 359 CB GLN A 25 14.950 -8.094 1.320 1.00 0.00 C ATOM 360 CG GLN A 25 16.464 -8.184 1.028 1.00 0.00 C ATOM 361 CD GLN A 25 16.836 -8.581 -0.404 1.00 0.00 C ATOM 362 OE1 GLN A 25 17.855 -8.158 -0.922 1.00 0.00 O ATOM 363 NE2 GLN A 25 16.052 -9.410 -1.029 1.00 0.00 N ATOM 0 H GLN A 25 13.453 -8.356 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 25 13.643 -6.386 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.816 -8.045 2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.484 -9.020 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.917 -7.217 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.906 -8.907 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.204 -9.751 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.285 -9.719 -1.973 1.00 0.00 H new ATOM 372 N VAL A 26 15.624 -4.927 0.743 1.00 0.00 N ATOM 373 CA VAL A 26 16.510 -3.986 0.127 1.00 0.00 C ATOM 374 C VAL A 26 17.960 -4.432 0.242 1.00 0.00 C ATOM 375 O VAL A 26 18.420 -4.919 1.284 1.00 0.00 O ATOM 376 CB VAL A 26 16.338 -2.515 0.647 1.00 0.00 C ATOM 377 CG1 VAL A 26 16.620 -2.391 2.129 1.00 0.00 C ATOM 378 CG2 VAL A 26 17.216 -1.547 -0.127 1.00 0.00 C ATOM 0 H VAL A 26 15.458 -4.795 1.741 1.00 0.00 H new ATOM 0 HA VAL A 26 16.227 -3.969 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 26 15.293 -2.254 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.487 -1.355 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.931 -3.027 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.645 -2.702 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.072 -0.538 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.262 -1.834 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.945 -1.574 -1.182 1.00 0.00 H new ATOM 388 N GLY A 27 18.622 -4.317 -0.848 1.00 0.00 N ATOM 389 CA GLY A 27 20.020 -4.509 -0.935 1.00 0.00 C ATOM 390 C GLY A 27 20.571 -3.237 -1.504 1.00 0.00 C ATOM 391 O GLY A 27 19.768 -2.343 -1.818 1.00 0.00 O ATOM 0 H GLY A 27 18.188 -4.077 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.448 -4.717 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.259 -5.359 -1.574 1.00 0.00 H new ATOM 395 N PRO A 28 21.877 -3.080 -1.640 1.00 0.00 N ATOM 396 CA PRO A 28 22.470 -1.866 -2.203 1.00 0.00 C ATOM 397 C PRO A 28 21.836 -1.482 -3.544 1.00 0.00 C ATOM 398 O PRO A 28 21.713 -2.318 -4.456 1.00 0.00 O ATOM 399 CB PRO A 28 23.951 -2.233 -2.397 1.00 0.00 C ATOM 400 CG PRO A 28 24.036 -3.701 -2.136 1.00 0.00 C ATOM 401 CD PRO A 28 22.895 -4.036 -1.233 1.00 0.00 C ATOM 0 HA PRO A 28 22.318 -1.004 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.286 -1.994 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.587 -1.675 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.973 -4.265 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.988 -3.958 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.561 -5.065 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.162 -3.921 -0.183 1.00 0.00 H new ATOM 409 N ASP A 29 21.390 -0.235 -3.619 1.00 0.00 N ATOM 410 CA ASP A 29 20.783 0.378 -4.814 1.00 0.00 C ATOM 411 C ASP A 29 19.494 -0.293 -5.227 1.00 0.00 C ATOM 412 O ASP A 29 19.070 -0.185 -6.386 1.00 0.00 O ATOM 413 CB ASP A 29 21.762 0.437 -6.004 1.00 0.00 C ATOM 414 CG ASP A 29 22.986 1.269 -5.738 1.00 0.00 C ATOM 415 OD1 ASP A 29 23.992 0.730 -5.230 1.00 0.00 O ATOM 416 OD2 ASP A 29 22.979 2.480 -6.045 1.00 0.00 O ATOM 0 H ASP A 29 21.438 0.407 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 29 20.542 1.400 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.071 -0.577 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.241 0.840 -6.872 1.00 0.00 H new ATOM 421 N ARG A 30 18.836 -0.949 -4.314 1.00 0.00 N ATOM 422 CA ARG A 30 17.605 -1.598 -4.651 1.00 0.00 C ATOM 423 C ARG A 30 16.422 -0.840 -4.116 1.00 0.00 C ATOM 424 O ARG A 30 15.298 -1.107 -4.512 1.00 0.00 O ATOM 425 CB ARG A 30 17.569 -3.042 -4.168 1.00 0.00 C ATOM 426 CG ARG A 30 18.578 -3.954 -4.840 1.00 0.00 C ATOM 427 CD ARG A 30 18.402 -5.392 -4.390 1.00 0.00 C ATOM 428 NE ARG A 30 17.060 -5.896 -4.690 1.00 0.00 N ATOM 429 CZ ARG A 30 16.695 -7.179 -4.661 1.00 0.00 C ATOM 430 NH1 ARG A 30 17.573 -8.117 -4.315 1.00 0.00 N ATOM 431 NH2 ARG A 30 15.442 -7.511 -4.980 1.00 0.00 N ATOM 0 H ARG A 30 19.128 -1.047 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 30 17.546 -1.609 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.744 -3.057 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.569 -3.443 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.464 -3.892 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.588 -3.618 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.144 -6.020 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.585 -5.462 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 30 16.347 -5.211 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.528 -7.856 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.291 -9.097 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.774 -6.787 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.153 -8.489 -4.961 1.00 0.00 H new ATOM 445 N LEU A 31 16.668 0.135 -3.259 1.00 0.00 N ATOM 446 CA LEU A 31 15.568 0.849 -2.615 1.00 0.00 C ATOM 447 C LEU A 31 14.890 1.780 -3.617 1.00 0.00 C ATOM 448 O LEU A 31 13.665 1.840 -3.687 1.00 0.00 O ATOM 449 CB LEU A 31 16.070 1.625 -1.367 1.00 0.00 C ATOM 450 CG LEU A 31 15.023 2.069 -0.293 1.00 0.00 C ATOM 451 CD1 LEU A 31 14.082 3.148 -0.793 1.00 0.00 C ATOM 452 CD2 LEU A 31 14.227 0.875 0.203 1.00 0.00 C ATOM 0 H LEU A 31 17.601 0.450 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 31 14.830 0.124 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.814 1.004 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.585 2.519 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 31 15.592 2.498 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.380 3.413 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.657 4.029 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.532 2.778 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.504 1.204 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.701 0.415 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.904 0.147 0.650 1.00 0.00 H new ATOM 464 N GLU A 32 15.676 2.455 -4.416 1.00 0.00 N ATOM 465 CA GLU A 32 15.151 3.415 -5.371 1.00 0.00 C ATOM 466 C GLU A 32 14.304 2.719 -6.442 1.00 0.00 C ATOM 467 O GLU A 32 13.248 3.228 -6.838 1.00 0.00 O ATOM 468 CB GLU A 32 16.288 4.232 -5.989 1.00 0.00 C ATOM 469 CG GLU A 32 15.835 5.435 -6.815 1.00 0.00 C ATOM 470 CD GLU A 32 15.004 6.428 -6.014 1.00 0.00 C ATOM 471 OE1 GLU A 32 15.371 6.761 -4.860 1.00 0.00 O ATOM 472 OE2 GLU A 32 13.950 6.881 -6.505 1.00 0.00 O ATOM 0 H GLU A 32 16.692 2.361 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 32 14.495 4.106 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.941 4.583 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.884 3.577 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.711 5.944 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.252 5.085 -7.667 1.00 0.00 H new ATOM 479 N LYS A 33 14.721 1.533 -6.874 1.00 0.00 N ATOM 480 CA LYS A 33 13.935 0.822 -7.862 1.00 0.00 C ATOM 481 C LYS A 33 12.774 0.090 -7.200 1.00 0.00 C ATOM 482 O LYS A 33 11.805 -0.292 -7.862 1.00 0.00 O ATOM 483 CB LYS A 33 14.764 -0.119 -8.752 1.00 0.00 C ATOM 484 CG LYS A 33 15.396 -1.324 -8.076 1.00 0.00 C ATOM 485 CD LYS A 33 16.049 -2.207 -9.129 1.00 0.00 C ATOM 486 CE LYS A 33 16.603 -3.495 -8.551 1.00 0.00 C ATOM 487 NZ LYS A 33 17.199 -4.341 -9.607 1.00 0.00 N ATOM 0 H LYS A 33 15.571 1.061 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 33 13.534 1.578 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.122 -0.479 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.559 0.465 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.138 -0.999 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.639 -1.888 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.318 -2.445 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.855 -1.654 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.356 -3.264 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.806 -4.043 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.570 -5.215 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.473 -4.579 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.974 -3.824 -10.069 1.00 0.00 H new ATOM 501 N LEU A 34 12.873 -0.092 -5.888 1.00 0.00 N ATOM 502 CA LEU A 34 11.791 -0.668 -5.108 1.00 0.00 C ATOM 503 C LEU A 34 10.653 0.337 -5.048 1.00 0.00 C ATOM 504 O LEU A 34 9.499 -0.019 -5.179 1.00 0.00 O ATOM 505 CB LEU A 34 12.268 -1.025 -3.693 1.00 0.00 C ATOM 506 CG LEU A 34 11.235 -1.647 -2.749 1.00 0.00 C ATOM 507 CD1 LEU A 34 10.724 -2.968 -3.293 1.00 0.00 C ATOM 508 CD2 LEU A 34 11.835 -1.829 -1.367 1.00 0.00 C ATOM 0 H LEU A 34 13.699 0.154 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 34 11.449 -1.589 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.106 -1.717 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.652 -0.118 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 34 10.385 -0.969 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.992 -3.387 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.255 -2.805 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.557 -3.662 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.092 -2.272 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.703 -2.486 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.142 -0.860 -0.973 1.00 0.00 H new ATOM 520 N LYS A 35 11.014 1.606 -4.898 1.00 0.00 N ATOM 521 CA LYS A 35 10.042 2.698 -4.897 1.00 0.00 C ATOM 522 C LYS A 35 9.279 2.716 -6.227 1.00 0.00 C ATOM 523 O LYS A 35 8.057 2.891 -6.282 1.00 0.00 O ATOM 524 CB LYS A 35 10.756 4.047 -4.805 1.00 0.00 C ATOM 525 CG LYS A 35 11.554 4.326 -3.557 1.00 0.00 C ATOM 526 CD LYS A 35 12.229 5.679 -3.707 1.00 0.00 C ATOM 527 CE LYS A 35 13.074 6.057 -2.512 1.00 0.00 C ATOM 528 NZ LYS A 35 13.783 7.330 -2.743 1.00 0.00 N ATOM 0 H LYS A 35 11.980 1.908 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 35 9.376 2.544 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.427 4.132 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.007 4.832 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.903 4.323 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.300 3.546 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.856 5.669 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.467 6.443 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.441 6.145 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.797 5.267 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.342 7.574 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.416 7.231 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.091 8.084 -2.930 1.00 0.00 H new ATOM 542 N ASN A 36 10.026 2.461 -7.284 1.00 0.00 N ATOM 543 CA ASN A 36 9.551 2.613 -8.642 1.00 0.00 C ATOM 544 C ASN A 36 8.687 1.431 -9.013 1.00 0.00 C ATOM 545 O ASN A 36 7.663 1.581 -9.671 1.00 0.00 O ATOM 546 CB ASN A 36 10.762 2.702 -9.592 1.00 0.00 C ATOM 547 CG ASN A 36 10.447 3.223 -10.994 1.00 0.00 C ATOM 548 OD1 ASN A 36 9.338 3.091 -11.512 1.00 0.00 O ATOM 549 ND2 ASN A 36 11.438 3.809 -11.621 1.00 0.00 N ATOM 0 H ASN A 36 10.992 2.139 -7.221 1.00 0.00 H new ATOM 0 HA ASN A 36 8.957 3.523 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.512 3.351 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.209 1.712 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.302 4.171 -12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.345 3.903 -11.165 1.00 0.00 H new ATOM 556 N VAL A 37 9.073 0.254 -8.543 1.00 0.00 N ATOM 557 CA VAL A 37 8.359 -0.955 -8.877 1.00 0.00 C ATOM 558 C VAL A 37 6.936 -0.922 -8.290 1.00 0.00 C ATOM 559 O VAL A 37 6.000 -1.471 -8.882 1.00 0.00 O ATOM 560 CB VAL A 37 9.137 -2.243 -8.456 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.079 -2.533 -6.964 1.00 0.00 C ATOM 562 CG2 VAL A 37 8.700 -3.428 -9.268 1.00 0.00 C ATOM 0 H VAL A 37 9.877 0.117 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 37 8.275 -0.998 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 37 10.187 -2.046 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.641 -3.441 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.513 -1.698 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.041 -2.668 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.258 -4.310 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.634 -3.600 -9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.890 -3.236 -10.324 1.00 0.00 H new ATOM 572 N ILE A 38 6.777 -0.218 -7.163 1.00 0.00 N ATOM 573 CA ILE A 38 5.474 -0.040 -6.545 1.00 0.00 C ATOM 574 C ILE A 38 4.598 0.773 -7.489 1.00 0.00 C ATOM 575 O ILE A 38 3.500 0.364 -7.851 1.00 0.00 O ATOM 576 CB ILE A 38 5.575 0.719 -5.187 1.00 0.00 C ATOM 577 CG1 ILE A 38 6.565 0.037 -4.223 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.202 0.882 -4.530 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.310 -1.436 -3.983 1.00 0.00 C ATOM 0 H ILE A 38 7.543 0.236 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 38 5.050 -1.026 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 38 5.961 1.714 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.574 0.156 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.533 0.557 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.312 1.415 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.547 1.448 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.769 -0.101 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.057 -1.827 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.316 -1.568 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.373 -1.975 -4.928 1.00 0.00 H new ATOM 591 N HIS A 39 5.139 1.893 -7.939 1.00 0.00 N ATOM 592 CA HIS A 39 4.433 2.805 -8.839 1.00 0.00 C ATOM 593 C HIS A 39 4.112 2.172 -10.183 1.00 0.00 C ATOM 594 O HIS A 39 3.255 2.656 -10.905 1.00 0.00 O ATOM 595 CB HIS A 39 5.198 4.121 -9.030 1.00 0.00 C ATOM 596 CG HIS A 39 5.110 5.063 -7.864 1.00 0.00 C ATOM 597 ND1 HIS A 39 4.979 6.427 -7.993 1.00 0.00 N ATOM 598 CD2 HIS A 39 5.144 4.820 -6.533 1.00 0.00 C ATOM 599 CE1 HIS A 39 4.937 6.961 -6.775 1.00 0.00 C ATOM 600 NE2 HIS A 39 5.035 6.026 -5.844 1.00 0.00 N ATOM 0 H HIS A 39 6.080 2.200 -7.694 1.00 0.00 H new ATOM 0 HA HIS A 39 3.483 3.030 -8.354 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.247 3.893 -9.220 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.815 4.624 -9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.240 3.846 -6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.836 8.017 -6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.031 6.160 -4.833 1.00 0.00 H new ATOM 608 N LYS A 40 4.806 1.127 -10.534 1.00 0.00 N ATOM 609 CA LYS A 40 4.505 0.419 -11.746 1.00 0.00 C ATOM 610 C LYS A 40 3.430 -0.622 -11.525 1.00 0.00 C ATOM 611 O LYS A 40 2.349 -0.536 -12.103 1.00 0.00 O ATOM 612 CB LYS A 40 5.751 -0.224 -12.290 1.00 0.00 C ATOM 613 CG LYS A 40 6.771 0.778 -12.713 1.00 0.00 C ATOM 614 CD LYS A 40 8.022 0.103 -13.203 1.00 0.00 C ATOM 615 CE LYS A 40 8.950 1.078 -13.913 1.00 0.00 C ATOM 616 NZ LYS A 40 8.313 1.683 -15.109 1.00 0.00 N ATOM 0 H LYS A 40 5.585 0.746 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 40 4.127 1.138 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.181 -0.877 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.490 -0.853 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.361 1.408 -13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.011 1.433 -11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.545 -0.348 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.756 -0.706 -13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.244 1.867 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.861 0.559 -14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.959 1.611 -15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.429 1.179 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.103 2.684 -14.922 1.00 0.00 H new ATOM 630 N ILE A 41 3.704 -1.562 -10.646 1.00 0.00 N ATOM 631 CA ILE A 41 2.814 -2.688 -10.423 1.00 0.00 C ATOM 632 C ILE A 41 1.487 -2.268 -9.819 1.00 0.00 C ATOM 633 O ILE A 41 0.444 -2.694 -10.274 1.00 0.00 O ATOM 634 CB ILE A 41 3.479 -3.773 -9.525 1.00 0.00 C ATOM 635 CG1 ILE A 41 4.733 -4.339 -10.210 1.00 0.00 C ATOM 636 CG2 ILE A 41 2.487 -4.898 -9.183 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.489 -5.358 -9.379 1.00 0.00 C ATOM 0 H ILE A 41 4.544 -1.570 -10.067 1.00 0.00 H new ATOM 0 HA ILE A 41 2.616 -3.114 -11.407 1.00 0.00 H new ATOM 0 HB ILE A 41 3.778 -3.302 -8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.441 -4.801 -11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.404 -3.515 -10.453 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.981 -5.640 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.634 -4.481 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.143 -5.372 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.359 -5.707 -9.935 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.815 -4.897 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.837 -6.203 -9.158 1.00 0.00 H new ATOM 649 N PHE A 42 1.521 -1.382 -8.874 1.00 0.00 N ATOM 650 CA PHE A 42 0.335 -1.082 -8.104 1.00 0.00 C ATOM 651 C PHE A 42 -0.623 -0.153 -8.838 1.00 0.00 C ATOM 652 O PHE A 42 -1.825 -0.180 -8.591 1.00 0.00 O ATOM 653 CB PHE A 42 0.708 -0.515 -6.757 1.00 0.00 C ATOM 654 CG PHE A 42 1.382 -1.465 -5.787 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.560 -2.134 -6.086 1.00 0.00 C ATOM 656 CD2 PHE A 42 0.853 -1.615 -4.555 1.00 0.00 C ATOM 657 CE1 PHE A 42 3.171 -2.933 -5.139 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.434 -2.392 -3.603 1.00 0.00 C ATOM 659 CZ PHE A 42 2.608 -3.057 -3.884 1.00 0.00 C ATOM 0 H PHE A 42 2.350 -0.850 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.195 -2.023 -7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.370 0.336 -6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.197 -0.131 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.002 -2.029 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.065 -1.099 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.084 -3.458 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.977 -2.488 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.083 -3.669 -3.131 1.00 0.00 H new ATOM 669 N SER A 43 -0.106 0.617 -9.778 1.00 0.00 N ATOM 670 CA SER A 43 -0.912 1.546 -10.550 1.00 0.00 C ATOM 671 C SER A 43 -1.971 0.861 -11.436 1.00 0.00 C ATOM 672 O SER A 43 -2.830 1.535 -12.026 1.00 0.00 O ATOM 673 CB SER A 43 -0.029 2.466 -11.359 1.00 0.00 C ATOM 674 OG SER A 43 0.767 3.263 -10.501 1.00 0.00 O ATOM 0 H SER A 43 0.883 0.616 -10.028 1.00 0.00 H new ATOM 0 HA SER A 43 -1.476 2.138 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.610 1.880 -12.019 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.643 3.105 -11.994 1.00 0.00 H new ATOM 0 HG SER A 43 1.674 3.332 -10.867 1.00 0.00 H new ATOM 680 N LYS A 44 -1.922 -0.468 -11.528 1.00 0.00 N ATOM 681 CA LYS A 44 -2.960 -1.201 -12.232 1.00 0.00 C ATOM 682 C LYS A 44 -4.250 -1.104 -11.458 1.00 0.00 C ATOM 683 O LYS A 44 -5.337 -1.042 -12.036 1.00 0.00 O ATOM 684 CB LYS A 44 -2.605 -2.676 -12.405 1.00 0.00 C ATOM 685 CG LYS A 44 -2.309 -3.427 -11.117 1.00 0.00 C ATOM 686 CD LYS A 44 -1.959 -4.884 -11.359 1.00 0.00 C ATOM 687 CE LYS A 44 -3.102 -5.638 -12.017 1.00 0.00 C ATOM 688 NZ LYS A 44 -2.806 -7.073 -12.174 1.00 0.00 N ATOM 0 H LYS A 44 -1.184 -1.047 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.062 -0.757 -13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.429 -3.174 -12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.735 -2.749 -13.058 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.483 -2.940 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.177 -3.370 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.073 -4.945 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.708 -5.360 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.005 -5.519 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.307 -5.202 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.786 -7.315 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.881 -7.285 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.542 -7.633 -11.698 1.00 0.00 H new ATOM 702 N PHE A 45 -4.110 -1.050 -10.155 1.00 0.00 N ATOM 703 CA PHE A 45 -5.246 -1.023 -9.269 1.00 0.00 C ATOM 704 C PHE A 45 -5.783 0.400 -9.127 1.00 0.00 C ATOM 705 O PHE A 45 -6.932 0.593 -8.737 1.00 0.00 O ATOM 706 CB PHE A 45 -4.842 -1.537 -7.879 1.00 0.00 C ATOM 707 CG PHE A 45 -4.101 -2.855 -7.868 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.677 -4.002 -8.384 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.834 -2.946 -7.302 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.009 -5.212 -8.337 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.160 -4.151 -7.260 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.749 -5.286 -7.776 1.00 0.00 C ATOM 0 H PHE A 45 -3.207 -1.024 -9.681 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.020 -1.663 -9.693 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.217 -0.784 -7.399 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.742 -1.640 -7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.660 -3.952 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.370 -2.062 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.473 -6.100 -8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.173 -4.204 -6.824 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.226 -6.231 -7.742 1.00 0.00 H new ATOM 722 N GLY A 46 -4.976 1.381 -9.503 1.00 0.00 N ATOM 723 CA GLY A 46 -5.385 2.764 -9.426 1.00 0.00 C ATOM 724 C GLY A 46 -4.196 3.679 -9.265 1.00 0.00 C ATOM 725 O GLY A 46 -3.070 3.212 -9.274 1.00 0.00 O ATOM 0 H GLY A 46 -4.033 1.238 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.935 3.034 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.066 2.898 -8.586 1.00 0.00 H new ATOM 729 N LYS A 47 -4.442 4.973 -9.138 1.00 0.00 N ATOM 730 CA LYS A 47 -3.376 5.947 -8.949 1.00 0.00 C ATOM 731 C LYS A 47 -2.892 5.891 -7.522 1.00 0.00 C ATOM 732 O LYS A 47 -3.700 5.984 -6.592 1.00 0.00 O ATOM 733 CB LYS A 47 -3.869 7.373 -9.229 1.00 0.00 C ATOM 734 CG LYS A 47 -2.778 8.426 -9.079 1.00 0.00 C ATOM 735 CD LYS A 47 -3.335 9.829 -9.151 1.00 0.00 C ATOM 736 CE LYS A 47 -2.237 10.859 -8.956 1.00 0.00 C ATOM 737 NZ LYS A 47 -2.768 12.232 -8.920 1.00 0.00 N ATOM 0 H LYS A 47 -5.378 5.377 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.573 5.702 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.272 7.419 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.687 7.608 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.267 8.287 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.033 8.291 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.817 9.984 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.102 9.960 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.706 10.651 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.511 10.772 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.985 12.903 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.253 12.440 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.442 12.323 -8.133 1.00 0.00 H new ATOM 751 N ILE A 48 -1.598 5.833 -7.339 1.00 0.00 N ATOM 752 CA ILE A 48 -1.036 5.746 -6.018 1.00 0.00 C ATOM 753 C ILE A 48 -1.165 7.113 -5.362 1.00 0.00 C ATOM 754 O ILE A 48 -0.459 8.064 -5.711 1.00 0.00 O ATOM 755 CB ILE A 48 0.465 5.327 -6.061 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.660 4.028 -6.872 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.032 5.168 -4.645 1.00 0.00 C ATOM 758 CD1 ILE A 48 -0.115 2.835 -6.355 1.00 0.00 C ATOM 0 H ILE A 48 -0.911 5.845 -8.093 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.573 4.986 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 48 1.015 6.124 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.367 4.214 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.721 3.778 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.080 4.875 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.949 6.115 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.470 4.401 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.084 1.970 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.193 2.616 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.182 3.059 -6.372 1.00 0.00 H new ATOM 770 N THR A 49 -2.128 7.223 -4.478 1.00 0.00 N ATOM 771 CA THR A 49 -2.395 8.455 -3.809 1.00 0.00 C ATOM 772 C THR A 49 -1.437 8.623 -2.635 1.00 0.00 C ATOM 773 O THR A 49 -0.646 9.560 -2.602 1.00 0.00 O ATOM 774 CB THR A 49 -3.849 8.480 -3.337 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.702 8.116 -4.449 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.237 9.864 -2.831 1.00 0.00 C ATOM 0 H THR A 49 -2.744 6.456 -4.209 1.00 0.00 H new ATOM 0 HA THR A 49 -2.242 9.286 -4.497 1.00 0.00 H new ATOM 0 HB THR A 49 -3.967 7.773 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.210 8.901 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.276 9.853 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.594 10.139 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.119 10.591 -3.634 1.00 0.00 H new ATOM 784 N ASN A 50 -1.483 7.710 -1.691 1.00 0.00 N ATOM 785 CA ASN A 50 -0.566 7.758 -0.571 1.00 0.00 C ATOM 786 C ASN A 50 0.126 6.458 -0.441 1.00 0.00 C ATOM 787 O ASN A 50 -0.519 5.412 -0.339 1.00 0.00 O ATOM 788 CB ASN A 50 -1.235 8.077 0.776 1.00 0.00 C ATOM 789 CG ASN A 50 -1.834 9.454 0.875 1.00 0.00 C ATOM 790 OD1 ASN A 50 -1.400 10.384 0.202 1.00 0.00 O ATOM 791 ND2 ASN A 50 -2.785 9.615 1.748 1.00 0.00 N ATOM 0 H ASN A 50 -2.140 6.930 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 50 0.126 8.571 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.018 7.342 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.496 7.960 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.195 10.538 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.120 8.818 2.289 1.00 0.00 H new ATOM 798 N ASP A 51 1.408 6.507 -0.485 1.00 0.00 N ATOM 799 CA ASP A 51 2.220 5.353 -0.267 1.00 0.00 C ATOM 800 C ASP A 51 2.934 5.516 1.030 1.00 0.00 C ATOM 801 O ASP A 51 3.430 6.596 1.352 1.00 0.00 O ATOM 802 CB ASP A 51 3.215 5.115 -1.408 1.00 0.00 C ATOM 803 CG ASP A 51 4.110 6.300 -1.693 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.715 7.184 -2.470 1.00 0.00 O ATOM 805 OD2 ASP A 51 5.227 6.379 -1.141 1.00 0.00 O ATOM 0 H ASP A 51 1.935 7.359 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 51 1.575 4.475 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.836 4.253 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.662 4.863 -2.313 1.00 0.00 H new ATOM 810 N PHE A 52 2.914 4.498 1.800 1.00 0.00 N ATOM 811 CA PHE A 52 3.570 4.490 3.075 1.00 0.00 C ATOM 812 C PHE A 52 4.584 3.403 3.093 1.00 0.00 C ATOM 813 O PHE A 52 4.232 2.214 3.162 1.00 0.00 O ATOM 814 CB PHE A 52 2.573 4.290 4.232 1.00 0.00 C ATOM 815 CG PHE A 52 1.615 5.429 4.445 1.00 0.00 C ATOM 816 CD1 PHE A 52 0.459 5.538 3.693 1.00 0.00 C ATOM 817 CD2 PHE A 52 1.877 6.388 5.401 1.00 0.00 C ATOM 818 CE1 PHE A 52 -0.411 6.586 3.895 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.011 7.438 5.606 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.134 7.539 4.853 1.00 0.00 C ATOM 0 H PHE A 52 2.437 3.626 1.571 1.00 0.00 H new ATOM 0 HA PHE A 52 4.049 5.459 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.000 3.382 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.134 4.129 5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.237 4.795 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.774 6.314 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.311 6.662 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.231 8.182 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.815 8.362 5.011 1.00 0.00 H new ATOM 830 N TYR A 53 5.825 3.778 2.945 1.00 0.00 N ATOM 831 CA TYR A 53 6.890 2.832 3.041 1.00 0.00 C ATOM 832 C TYR A 53 7.500 2.981 4.419 1.00 0.00 C ATOM 833 O TYR A 53 8.207 3.956 4.680 1.00 0.00 O ATOM 834 CB TYR A 53 7.979 3.102 1.989 1.00 0.00 C ATOM 835 CG TYR A 53 7.518 3.181 0.539 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.367 2.540 0.087 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.241 3.928 -0.373 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.965 2.648 -1.229 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.845 4.043 -1.684 1.00 0.00 C ATOM 840 CZ TYR A 53 6.710 3.404 -2.109 1.00 0.00 C ATOM 841 OH TYR A 53 6.308 3.530 -3.418 1.00 0.00 O ATOM 0 H TYR A 53 6.119 4.736 2.757 1.00 0.00 H new ATOM 0 HA TYR A 53 6.499 1.829 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.473 4.040 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.730 2.316 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.781 1.950 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.138 4.433 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.072 2.143 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.426 4.634 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 53 6.944 4.097 -3.902 1.00 0.00 H new ATOM 851 N PRO A 54 7.226 2.057 5.328 1.00 0.00 N ATOM 852 CA PRO A 54 7.756 2.120 6.661 1.00 0.00 C ATOM 853 C PRO A 54 9.114 1.449 6.750 1.00 0.00 C ATOM 854 O PRO A 54 9.605 0.874 5.777 1.00 0.00 O ATOM 855 CB PRO A 54 6.726 1.356 7.486 1.00 0.00 C ATOM 856 CG PRO A 54 6.174 0.330 6.547 1.00 0.00 C ATOM 857 CD PRO A 54 6.353 0.878 5.143 1.00 0.00 C ATOM 0 HA PRO A 54 7.911 3.144 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.184 0.889 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.943 2.019 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.697 -0.619 6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.121 0.141 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.811 0.142 4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.397 1.155 4.698 1.00 0.00 H new ATOM 865 N GLU A 55 9.719 1.562 7.874 1.00 0.00 N ATOM 866 CA GLU A 55 10.959 0.907 8.158 1.00 0.00 C ATOM 867 C GLU A 55 10.912 0.537 9.614 1.00 0.00 C ATOM 868 O GLU A 55 9.881 0.735 10.259 1.00 0.00 O ATOM 869 CB GLU A 55 12.158 1.826 7.876 1.00 0.00 C ATOM 870 CG GLU A 55 12.195 3.058 8.749 1.00 0.00 C ATOM 871 CD GLU A 55 13.405 3.908 8.519 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.401 4.736 7.576 1.00 0.00 O ATOM 873 OE2 GLU A 55 14.365 3.788 9.296 1.00 0.00 O ATOM 0 H GLU A 55 9.364 2.125 8.647 1.00 0.00 H new ATOM 0 HA GLU A 55 11.086 0.030 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.079 1.261 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.132 2.133 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.301 3.653 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.166 2.755 9.796 1.00 0.00 H new ATOM 936 N THR A 60 15.619 -3.188 6.766 1.00 0.00 N ATOM 937 CA THR A 60 14.776 -3.339 5.621 1.00 0.00 C ATOM 938 C THR A 60 13.353 -3.658 6.056 1.00 0.00 C ATOM 939 O THR A 60 13.124 -4.416 7.011 1.00 0.00 O ATOM 940 CB THR A 60 15.302 -4.412 4.585 1.00 0.00 C ATOM 941 OG1 THR A 60 14.491 -4.406 3.389 1.00 0.00 O ATOM 942 CG2 THR A 60 15.298 -5.823 5.149 1.00 0.00 C ATOM 0 HA THR A 60 14.792 -2.385 5.095 1.00 0.00 H new ATOM 0 HB THR A 60 16.330 -4.130 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.591 -4.731 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 60 15.669 -6.517 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 60 15.941 -5.865 6.028 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.282 -6.100 5.429 1.00 0.00 H new ATOM 950 N LYS A 61 12.423 -3.026 5.400 1.00 0.00 N ATOM 951 CA LYS A 61 11.021 -3.283 5.602 1.00 0.00 C ATOM 952 C LYS A 61 10.628 -4.529 4.861 1.00 0.00 C ATOM 953 O LYS A 61 11.364 -5.001 3.981 1.00 0.00 O ATOM 954 CB LYS A 61 10.181 -2.120 5.074 1.00 0.00 C ATOM 955 CG LYS A 61 10.581 -1.688 3.673 1.00 0.00 C ATOM 956 CD LYS A 61 9.655 -0.648 3.095 1.00 0.00 C ATOM 957 CE LYS A 61 10.346 0.111 1.979 1.00 0.00 C ATOM 958 NZ LYS A 61 11.475 0.919 2.504 1.00 0.00 N ATOM 0 H LYS A 61 12.616 -2.309 4.701 1.00 0.00 H new ATOM 0 HA LYS A 61 10.843 -3.403 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.130 -2.409 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.278 -1.272 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.596 -1.291 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.594 -2.560 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.753 -1.126 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.343 0.045 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.714 -0.591 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.629 0.763 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.624 1.747 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.255 1.237 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.339 0.340 2.519 1.00 0.00 H new ATOM 972 N GLY A 62 9.496 -5.056 5.207 1.00 0.00 N ATOM 973 CA GLY A 62 8.983 -6.178 4.509 1.00 0.00 C ATOM 974 C GLY A 62 7.559 -5.951 4.097 1.00 0.00 C ATOM 975 O GLY A 62 6.964 -6.788 3.512 1.00 0.00 O ATOM 0 H GLY A 62 8.912 -4.721 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.594 -6.372 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.045 -7.064 5.141 1.00 0.00 H new ATOM 979 N TYR A 63 7.029 -4.786 4.367 1.00 0.00 N ATOM 980 CA TYR A 63 5.629 -4.507 4.087 1.00 0.00 C ATOM 981 C TYR A 63 5.430 -3.025 3.903 1.00 0.00 C ATOM 982 O TYR A 63 6.256 -2.236 4.377 1.00 0.00 O ATOM 983 CB TYR A 63 4.727 -5.052 5.226 1.00 0.00 C ATOM 984 CG TYR A 63 5.126 -4.606 6.626 1.00 0.00 C ATOM 985 CD1 TYR A 63 6.106 -5.294 7.335 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.531 -3.510 7.234 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.481 -4.907 8.595 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.906 -3.115 8.505 1.00 0.00 C ATOM 989 CZ TYR A 63 5.879 -3.819 9.179 1.00 0.00 C ATOM 990 OH TYR A 63 6.262 -3.428 10.445 1.00 0.00 O ATOM 0 H TYR A 63 7.541 -4.008 4.782 1.00 0.00 H new ATOM 0 HA TYR A 63 5.343 -5.012 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.700 -4.738 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.739 -6.141 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.581 -6.152 6.882 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.766 -2.959 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.246 -5.454 9.126 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.438 -2.258 8.967 1.00 0.00 H new ATOM 0 HH TYR A 63 5.743 -2.642 10.716 1.00 0.00 H new ATOM 1000 N ILE A 64 4.377 -2.647 3.183 1.00 0.00 N ATOM 1001 CA ILE A 64 4.040 -1.241 2.949 1.00 0.00 C ATOM 1002 C ILE A 64 2.515 -1.094 3.010 1.00 0.00 C ATOM 1003 O ILE A 64 1.793 -2.108 2.979 1.00 0.00 O ATOM 1004 CB ILE A 64 4.543 -0.687 1.556 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.732 -1.271 0.392 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.027 -0.987 1.344 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.103 -0.725 -0.968 1.00 0.00 C ATOM 0 H ILE A 64 3.732 -3.304 2.745 1.00 0.00 H new ATOM 0 HA ILE A 64 4.545 -0.660 3.720 1.00 0.00 H new ATOM 0 HB ILE A 64 4.399 0.393 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.862 -2.353 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.674 -1.078 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.343 -0.594 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.610 -0.516 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.187 -2.065 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.480 -1.193 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.945 0.353 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.151 -0.941 -1.173 1.00 0.00 H new ATOM 1019 N PHE A 65 2.036 0.134 3.079 1.00 0.00 N ATOM 1020 CA PHE A 65 0.601 0.422 3.134 1.00 0.00 C ATOM 1021 C PHE A 65 0.286 1.499 2.127 1.00 0.00 C ATOM 1022 O PHE A 65 1.082 2.413 1.936 1.00 0.00 O ATOM 1023 CB PHE A 65 0.186 0.913 4.535 1.00 0.00 C ATOM 1024 CG PHE A 65 0.456 -0.049 5.660 1.00 0.00 C ATOM 1025 CD1 PHE A 65 1.665 -0.024 6.340 1.00 0.00 C ATOM 1026 CD2 PHE A 65 -0.502 -0.970 6.041 1.00 0.00 C ATOM 1027 CE1 PHE A 65 1.911 -0.903 7.378 1.00 0.00 C ATOM 1028 CE2 PHE A 65 -0.263 -1.851 7.077 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.945 -1.819 7.746 1.00 0.00 C ATOM 0 H PHE A 65 2.625 0.966 3.099 1.00 0.00 H new ATOM 0 HA PHE A 65 0.052 -0.493 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.708 1.847 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.880 1.140 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.423 0.691 6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.449 -1.001 5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.856 -0.874 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.021 -2.565 7.364 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.134 -2.509 8.555 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.835 1.382 1.460 1.00 0.00 N ATOM 1040 CA LEU A 66 -1.237 2.367 0.486 1.00 0.00 C ATOM 1041 C LEU A 66 -2.644 2.848 0.765 1.00 0.00 C ATOM 1042 O LEU A 66 -3.485 2.078 1.269 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.259 1.776 -0.908 1.00 0.00 C ATOM 1044 CG LEU A 66 -0.011 1.097 -1.454 1.00 0.00 C ATOM 1045 CD1 LEU A 66 -0.188 0.824 -2.901 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.241 1.885 -1.246 1.00 0.00 C ATOM 0 H LEU A 66 -1.490 0.609 1.575 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.517 3.183 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.068 1.047 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.523 2.577 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 66 0.108 0.170 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.706 0.338 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.049 0.171 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.352 1.762 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.088 1.338 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.151 2.849 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.398 2.043 -0.179 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.899 4.092 0.415 1.00 0.00 N ATOM 1059 CA GLU A 67 -4.224 4.674 0.489 1.00 0.00 C ATOM 1060 C GLU A 67 -4.534 5.285 -0.859 1.00 0.00 C ATOM 1061 O GLU A 67 -3.603 5.687 -1.599 1.00 0.00 O ATOM 1062 CB GLU A 67 -4.315 5.782 1.524 1.00 0.00 C ATOM 1063 CG GLU A 67 -3.859 5.421 2.913 1.00 0.00 C ATOM 1064 CD GLU A 67 -4.087 6.557 3.861 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -3.558 7.666 3.625 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -4.847 6.383 4.841 1.00 0.00 O ATOM 0 H GLU A 67 -2.186 4.734 0.068 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.923 3.886 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.722 6.628 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.350 6.119 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.398 4.539 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.800 5.162 2.897 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.790 5.373 -1.185 1.00 0.00 N ATOM 1074 CA TYR A 68 -6.209 5.933 -2.452 1.00 0.00 C ATOM 1075 C TYR A 68 -7.198 7.097 -2.271 1.00 0.00 C ATOM 1076 O TYR A 68 -7.807 7.254 -1.203 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.787 4.844 -3.365 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.774 3.805 -3.821 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -5.473 2.697 -3.047 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -5.128 3.934 -5.037 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -4.560 1.764 -3.473 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -4.212 2.996 -5.471 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.935 1.914 -4.684 1.00 0.00 C ATOM 1084 OH TYR A 68 -3.024 0.973 -5.107 1.00 0.00 O ATOM 0 H TYR A 68 -6.556 5.062 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.323 6.345 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.597 4.338 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.224 5.318 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.964 2.565 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.345 4.788 -5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.334 0.910 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.719 3.117 -6.424 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.674 1.229 -5.986 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.311 7.930 -3.319 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.212 9.101 -3.365 1.00 0.00 C ATOM 1096 C ALA A 69 -9.658 8.696 -3.094 1.00 0.00 C ATOM 1097 O ALA A 69 -10.407 9.385 -2.374 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.092 9.791 -4.718 1.00 0.00 C ATOM 0 H ALA A 69 -6.770 7.809 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.913 9.798 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.758 10.653 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.064 10.121 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.368 9.093 -5.508 1.00 0.00 H new ATOM 1104 N SER A 70 -10.031 7.591 -3.643 1.00 0.00 N ATOM 1105 CA SER A 70 -11.283 6.983 -3.393 1.00 0.00 C ATOM 1106 C SER A 70 -10.771 5.689 -2.949 1.00 0.00 C ATOM 1107 O SER A 70 -9.900 5.181 -3.652 1.00 0.00 O ATOM 1108 CB SER A 70 -12.083 6.859 -4.706 1.00 0.00 C ATOM 1109 OG SER A 70 -13.396 6.362 -4.483 1.00 0.00 O ATOM 0 H SER A 70 -9.449 7.072 -4.300 1.00 0.00 H new ATOM 0 HA SER A 70 -11.962 7.491 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.141 7.835 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.555 6.195 -5.391 1.00 0.00 H new ATOM 0 HG SER A 70 -13.872 6.299 -5.338 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.161 5.133 -1.790 1.00 0.00 N ATOM 1116 CA PRO A 71 -10.392 4.028 -1.284 1.00 0.00 C ATOM 1117 C PRO A 71 -10.442 2.859 -2.244 1.00 0.00 C ATOM 1118 O PRO A 71 -9.389 2.278 -2.480 1.00 0.00 O ATOM 1119 CB PRO A 71 -11.077 3.719 0.050 1.00 0.00 C ATOM 1120 CG PRO A 71 -11.900 4.926 0.356 1.00 0.00 C ATOM 1121 CD PRO A 71 -12.301 5.483 -0.962 1.00 0.00 C ATOM 0 HA PRO A 71 -9.330 4.243 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.699 2.827 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.344 3.533 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.774 4.663 0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.328 5.654 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.226 5.038 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.460 6.560 -0.919 1.00 0.00 H new ATOM 1129 N ALA A 72 -11.682 2.422 -2.665 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.162 1.866 -4.013 1.00 0.00 C ATOM 1131 C ALA A 72 -11.169 1.164 -4.938 1.00 0.00 C ATOM 1132 O ALA A 72 -11.515 0.753 -6.048 1.00 0.00 O ATOM 1133 CB ALA A 72 -12.905 2.910 -4.773 1.00 0.00 C ATOM 0 H ALA A 72 -12.461 2.448 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.796 1.041 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.238 2.499 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.771 3.234 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.251 3.763 -4.955 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.040 0.984 -4.497 1.00 0.00 N ATOM 1140 CA HIS A 73 -8.972 0.538 -5.291 1.00 0.00 C ATOM 1141 C HIS A 73 -8.334 -0.658 -4.660 1.00 0.00 C ATOM 1142 O HIS A 73 -7.821 -1.542 -5.344 1.00 0.00 O ATOM 1143 CB HIS A 73 -7.997 1.734 -5.569 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.534 2.770 -6.541 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -8.390 2.697 -7.902 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -9.218 3.916 -6.310 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.970 3.765 -8.449 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -9.493 4.545 -7.521 1.00 0.00 N ATOM 0 H HIS A 73 -9.788 1.144 -3.521 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.319 0.200 -6.268 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.766 2.226 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.059 1.339 -5.960 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.918 1.950 -8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.506 4.285 -5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.007 3.966 -9.510 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.411 -0.725 -3.331 1.00 0.00 N ATOM 1157 CA ALA A 74 -7.908 -1.878 -2.622 1.00 0.00 C ATOM 1158 C ALA A 74 -8.779 -3.078 -2.902 1.00 0.00 C ATOM 1159 O ALA A 74 -8.303 -4.209 -2.895 1.00 0.00 O ATOM 1160 CB ALA A 74 -7.826 -1.618 -1.140 1.00 0.00 C ATOM 0 H ALA A 74 -8.814 0.001 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.898 -2.082 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.444 -2.505 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.156 -0.778 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.819 -1.382 -0.757 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.052 -2.815 -3.219 1.00 0.00 N ATOM 1167 CA VAL A 75 -10.991 -3.890 -3.515 1.00 0.00 C ATOM 1168 C VAL A 75 -10.604 -4.590 -4.829 1.00 0.00 C ATOM 1169 O VAL A 75 -10.887 -5.763 -5.030 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.460 -3.369 -3.561 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -12.666 -2.328 -4.653 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.465 -4.511 -3.685 1.00 0.00 C ATOM 0 H VAL A 75 -10.447 -1.876 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.936 -4.621 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.644 -2.874 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.704 -1.995 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.010 -1.476 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.432 -2.767 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.476 -4.104 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.272 -5.068 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.366 -5.177 -2.828 1.00 0.00 H new ATOM 1182 N ASP A 76 -9.905 -3.869 -5.685 1.00 0.00 N ATOM 1183 CA ASP A 76 -9.444 -4.432 -6.949 1.00 0.00 C ATOM 1184 C ASP A 76 -8.240 -5.318 -6.677 1.00 0.00 C ATOM 1185 O ASP A 76 -8.183 -6.456 -7.119 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.075 -3.329 -7.947 1.00 0.00 C ATOM 1187 CG ASP A 76 -8.739 -3.870 -9.329 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -7.579 -4.176 -9.604 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -9.660 -3.972 -10.178 1.00 0.00 O ATOM 0 H ASP A 76 -9.642 -2.895 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.249 -5.019 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.905 -2.627 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.222 -2.770 -7.564 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.329 -4.803 -5.857 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.100 -5.503 -5.482 1.00 0.00 C ATOM 1196 C ALA A 77 -6.389 -6.856 -4.839 1.00 0.00 C ATOM 1197 O ALA A 77 -5.803 -7.875 -5.224 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.261 -4.639 -4.552 1.00 0.00 C ATOM 0 H ALA A 77 -7.421 -3.881 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.537 -5.691 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.350 -5.173 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.000 -3.709 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.831 -4.415 -3.650 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.320 -6.874 -3.890 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.692 -8.094 -3.199 1.00 0.00 C ATOM 1206 C VAL A 78 -8.502 -9.031 -4.104 1.00 0.00 C ATOM 1207 O VAL A 78 -8.614 -10.228 -3.842 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.458 -7.801 -1.882 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -7.558 -7.095 -0.878 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -9.704 -6.975 -2.135 1.00 0.00 C ATOM 0 H VAL A 78 -7.832 -6.047 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.764 -8.602 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.766 -8.760 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.117 -6.900 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.700 -7.727 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.212 -6.151 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.215 -6.789 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.424 -6.025 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.369 -7.517 -2.807 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.044 -8.485 -5.173 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.796 -9.266 -6.125 1.00 0.00 C ATOM 1222 C LYS A 79 -8.823 -9.913 -7.118 1.00 0.00 C ATOM 1223 O LYS A 79 -9.120 -10.947 -7.714 1.00 0.00 O ATOM 1224 CB LYS A 79 -10.800 -8.367 -6.880 1.00 0.00 C ATOM 1225 CG LYS A 79 -11.781 -9.112 -7.794 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.776 -9.964 -7.001 1.00 0.00 C ATOM 1227 CE LYS A 79 -13.754 -9.105 -6.187 1.00 0.00 C ATOM 1228 NZ LYS A 79 -14.617 -8.265 -7.057 1.00 0.00 N ATOM 0 H LYS A 79 -8.975 -7.494 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.354 -10.040 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.372 -7.794 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.241 -7.650 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.327 -8.391 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.223 -9.751 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.337 -10.598 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.230 -10.626 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.380 -9.752 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.193 -8.464 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.400 -7.873 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.054 -7.487 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.002 -8.846 -7.829 1.00 0.00 H new ATOM 1242 N ASN A 80 -7.656 -9.297 -7.275 1.00 0.00 N ATOM 1243 CA ASN A 80 -6.658 -9.780 -8.224 1.00 0.00 C ATOM 1244 C ASN A 80 -5.926 -11.010 -7.748 1.00 0.00 C ATOM 1245 O ASN A 80 -6.316 -12.133 -8.073 1.00 0.00 O ATOM 1246 CB ASN A 80 -5.637 -8.709 -8.662 1.00 0.00 C ATOM 1247 CG ASN A 80 -6.128 -7.746 -9.731 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -5.348 -7.323 -10.579 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -7.367 -7.357 -9.679 1.00 0.00 N ATOM 0 H ASN A 80 -7.378 -8.463 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.251 -10.049 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.340 -8.133 -7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.743 -9.212 -9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.718 -6.680 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.989 -7.729 -8.961 1.00 0.00 H new ATOM 1256 N ALA A 81 -4.890 -10.819 -6.952 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.051 -11.925 -6.563 1.00 0.00 C ATOM 1258 C ALA A 81 -3.365 -11.678 -5.236 1.00 0.00 C ATOM 1259 O ALA A 81 -2.493 -10.820 -5.119 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.010 -12.205 -7.645 1.00 0.00 C ATOM 0 H ALA A 81 -4.615 -9.915 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.695 -12.796 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.383 -13.042 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.514 -12.452 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.389 -11.321 -7.790 1.00 0.00 H new ATOM 1266 N ASP A 82 -3.793 -12.396 -4.251 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.173 -12.401 -2.955 1.00 0.00 C ATOM 1268 C ASP A 82 -2.204 -13.549 -2.856 1.00 0.00 C ATOM 1269 O ASP A 82 -2.571 -14.718 -3.056 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.234 -12.457 -1.837 1.00 0.00 C ATOM 1271 CG ASP A 82 -3.733 -13.018 -0.525 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -2.640 -12.643 -0.060 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.465 -13.843 0.075 1.00 0.00 O ATOM 0 H ASP A 82 -4.603 -13.012 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.617 -11.472 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.616 -11.451 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.073 -13.062 -2.180 1.00 0.00 H new ATOM 1278 N GLY A 83 -0.969 -13.219 -2.619 1.00 0.00 N ATOM 1279 CA GLY A 83 0.040 -14.224 -2.438 1.00 0.00 C ATOM 1280 C GLY A 83 0.725 -14.634 -3.726 1.00 0.00 C ATOM 1281 O GLY A 83 0.780 -15.825 -4.057 1.00 0.00 O ATOM 0 H GLY A 83 -0.634 -12.258 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.790 -13.853 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.413 -15.104 -1.981 1.00 0.00 H new ATOM 1285 N TYR A 84 1.250 -13.681 -4.457 1.00 0.00 N ATOM 1286 CA TYR A 84 1.976 -14.001 -5.654 1.00 0.00 C ATOM 1287 C TYR A 84 3.469 -13.809 -5.435 1.00 0.00 C ATOM 1288 O TYR A 84 3.929 -12.715 -5.061 1.00 0.00 O ATOM 1289 CB TYR A 84 1.427 -13.263 -6.891 1.00 0.00 C ATOM 1290 CG TYR A 84 1.475 -11.743 -6.886 1.00 0.00 C ATOM 1291 CD1 TYR A 84 0.500 -11.002 -6.235 1.00 0.00 C ATOM 1292 CD2 TYR A 84 2.469 -11.058 -7.572 1.00 0.00 C ATOM 1293 CE1 TYR A 84 0.509 -9.624 -6.267 1.00 0.00 C ATOM 1294 CE2 TYR A 84 2.490 -9.678 -7.602 1.00 0.00 C ATOM 1295 CZ TYR A 84 1.506 -8.967 -6.949 1.00 0.00 C ATOM 1296 OH TYR A 84 1.515 -7.590 -6.990 1.00 0.00 O ATOM 0 H TYR A 84 1.187 -12.686 -4.243 1.00 0.00 H new ATOM 0 HA TYR A 84 1.823 -15.057 -5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.979 -13.613 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.389 -13.565 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.281 -11.514 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.237 -11.613 -8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.262 -9.064 -5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.273 -9.158 -8.134 1.00 0.00 H new ATOM 0 HH TYR A 84 2.438 -7.271 -7.067 1.00 0.00 H new ATOM 1306 N LYS A 85 4.201 -14.894 -5.588 1.00 0.00 N ATOM 1307 CA LYS A 85 5.619 -14.940 -5.337 1.00 0.00 C ATOM 1308 C LYS A 85 6.437 -14.367 -6.475 1.00 0.00 C ATOM 1309 O LYS A 85 6.192 -14.670 -7.647 1.00 0.00 O ATOM 1310 CB LYS A 85 6.085 -16.381 -5.102 1.00 0.00 C ATOM 1311 CG LYS A 85 5.233 -17.184 -4.127 1.00 0.00 C ATOM 1312 CD LYS A 85 4.221 -18.096 -4.821 1.00 0.00 C ATOM 1313 CE LYS A 85 4.902 -19.148 -5.685 1.00 0.00 C ATOM 1314 NZ LYS A 85 5.853 -19.979 -4.909 1.00 0.00 N ATOM 0 H LYS A 85 3.814 -15.785 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 85 5.780 -14.330 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.102 -16.902 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.110 -16.359 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.886 -17.789 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.701 -16.497 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.602 -18.588 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.555 -17.494 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.146 -19.790 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.433 -18.658 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.744 -20.977 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.826 -19.671 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.657 -19.873 -3.893 1.00 0.00 H new ATOM 1328 N LEU A 86 7.342 -13.494 -6.143 1.00 0.00 N ATOM 1329 CA LEU A 86 8.348 -13.083 -7.082 1.00 0.00 C ATOM 1330 C LEU A 86 9.483 -14.088 -6.971 1.00 0.00 C ATOM 1331 O LEU A 86 9.754 -14.858 -7.902 1.00 0.00 O ATOM 1332 CB LEU A 86 8.896 -11.665 -6.806 1.00 0.00 C ATOM 1333 CG LEU A 86 7.939 -10.471 -6.934 1.00 0.00 C ATOM 1334 CD1 LEU A 86 8.721 -9.177 -6.777 1.00 0.00 C ATOM 1335 CD2 LEU A 86 7.201 -10.496 -8.270 1.00 0.00 C ATOM 0 H LEU A 86 7.406 -13.051 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 86 7.907 -13.050 -8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.301 -11.658 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.731 -11.495 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 86 7.190 -10.537 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.043 -8.329 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.198 -9.157 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.484 -9.116 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.531 -9.639 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.923 -10.452 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.621 -11.416 -8.348 1.00 0.00 H new ATOM 1347 N ASP A 87 10.093 -14.126 -5.790 1.00 0.00 N ATOM 1348 CA ASP A 87 11.211 -15.021 -5.481 1.00 0.00 C ATOM 1349 C ASP A 87 11.504 -14.916 -4.008 1.00 0.00 C ATOM 1350 O ASP A 87 10.972 -14.031 -3.355 1.00 0.00 O ATOM 1351 CB ASP A 87 12.493 -14.612 -6.235 1.00 0.00 C ATOM 1352 CG ASP A 87 13.169 -13.360 -5.672 1.00 0.00 C ATOM 1353 OD1 ASP A 87 12.640 -12.224 -5.842 1.00 0.00 O ATOM 1354 OD2 ASP A 87 14.239 -13.490 -5.051 1.00 0.00 O ATOM 0 H ASP A 87 9.823 -13.529 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 87 10.930 -16.031 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.201 -15.440 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.248 -14.441 -7.283 1.00 0.00 H new ATOM 1359 N LYS A 88 12.344 -15.810 -3.506 1.00 0.00 N ATOM 1360 CA LYS A 88 12.850 -15.796 -2.138 1.00 0.00 C ATOM 1361 C LYS A 88 11.711 -15.691 -1.085 1.00 0.00 C ATOM 1362 O LYS A 88 10.988 -16.657 -0.860 1.00 0.00 O ATOM 1363 CB LYS A 88 13.917 -14.693 -2.013 1.00 0.00 C ATOM 1364 CG LYS A 88 14.692 -14.664 -0.716 1.00 0.00 C ATOM 1365 CD LYS A 88 15.714 -13.527 -0.694 1.00 0.00 C ATOM 1366 CE LYS A 88 16.841 -13.735 -1.697 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.643 -14.946 -1.405 1.00 0.00 N ATOM 0 H LYS A 88 12.704 -16.590 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 88 13.327 -16.751 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.625 -14.806 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.429 -13.727 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.001 -14.548 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.204 -15.616 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.209 -12.585 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.135 -13.441 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.421 -13.814 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.493 -12.861 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.517 -14.928 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.884 -14.967 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.092 -15.794 -1.648 1.00 0.00 H new ATOM 1381 N GLN A 89 11.519 -14.522 -0.494 1.00 0.00 N ATOM 1382 CA GLN A 89 10.417 -14.344 0.453 1.00 0.00 C ATOM 1383 C GLN A 89 9.524 -13.237 -0.030 1.00 0.00 C ATOM 1384 O GLN A 89 8.629 -12.781 0.662 1.00 0.00 O ATOM 1385 CB GLN A 89 10.869 -14.077 1.922 1.00 0.00 C ATOM 1386 CG GLN A 89 11.436 -12.680 2.270 1.00 0.00 C ATOM 1387 CD GLN A 89 12.882 -12.457 1.895 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.671 -13.386 1.847 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.258 -11.220 1.710 1.00 0.00 N ATOM 0 H GLN A 89 12.096 -13.695 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 89 9.878 -15.291 0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.014 -14.261 2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.628 -14.817 2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.828 -11.925 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.327 -12.519 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.572 -10.466 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.237 -11.008 1.519 1.00 0.00 H new ATOM 1398 N HIS A 90 9.747 -12.849 -1.249 1.00 0.00 N ATOM 1399 CA HIS A 90 9.060 -11.729 -1.824 1.00 0.00 C ATOM 1400 C HIS A 90 7.822 -12.237 -2.477 1.00 0.00 C ATOM 1401 O HIS A 90 7.819 -12.644 -3.633 1.00 0.00 O ATOM 1402 CB HIS A 90 9.921 -11.028 -2.867 1.00 0.00 C ATOM 1403 CG HIS A 90 11.364 -10.859 -2.478 1.00 0.00 C ATOM 1404 ND1 HIS A 90 12.418 -11.122 -3.322 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.917 -10.451 -1.311 1.00 0.00 C ATOM 1406 CE1 HIS A 90 13.544 -10.873 -2.669 1.00 0.00 C ATOM 1407 NE2 HIS A 90 13.299 -10.458 -1.433 1.00 0.00 N ATOM 0 H HIS A 90 10.412 -13.301 -1.876 1.00 0.00 H new ATOM 0 HA HIS A 90 8.829 -11.009 -1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.873 -11.593 -3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.495 -10.045 -3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.345 -11.452 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.369 -10.165 -0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 90 14.532 -10.992 -3.088 1.00 0.00 H new ATOM 1415 N THR A 91 6.824 -12.292 -1.714 1.00 0.00 N ATOM 1416 CA THR A 91 5.547 -12.781 -2.111 1.00 0.00 C ATOM 1417 C THR A 91 4.528 -11.811 -1.628 1.00 0.00 C ATOM 1418 O THR A 91 4.356 -11.666 -0.446 1.00 0.00 O ATOM 1419 CB THR A 91 5.295 -14.156 -1.475 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.362 -15.046 -1.840 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.962 -14.721 -1.930 1.00 0.00 C ATOM 0 H THR A 91 6.855 -11.987 -0.741 1.00 0.00 H new ATOM 0 HA THR A 91 5.496 -12.888 -3.195 1.00 0.00 H new ATOM 0 HB THR A 91 5.263 -14.048 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.207 -15.925 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.803 -15.695 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.160 -14.044 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.964 -14.830 -3.015 1.00 0.00 H new ATOM 1429 N PHE A 92 3.841 -11.162 -2.512 1.00 0.00 N ATOM 1430 CA PHE A 92 2.934 -10.148 -2.063 1.00 0.00 C ATOM 1431 C PHE A 92 1.645 -10.746 -1.636 1.00 0.00 C ATOM 1432 O PHE A 92 0.823 -11.133 -2.474 1.00 0.00 O ATOM 1433 CB PHE A 92 2.672 -9.099 -3.124 1.00 0.00 C ATOM 1434 CG PHE A 92 3.908 -8.486 -3.660 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.604 -7.560 -2.923 1.00 0.00 C ATOM 1436 CD2 PHE A 92 4.385 -8.853 -4.898 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.762 -7.001 -3.418 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.532 -8.308 -5.398 1.00 0.00 C ATOM 1439 CZ PHE A 92 6.225 -7.383 -4.663 1.00 0.00 C ATOM 0 H PHE A 92 3.884 -11.307 -3.521 1.00 0.00 H new ATOM 0 HA PHE A 92 3.412 -9.659 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.115 -9.553 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.040 -8.317 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.241 -7.268 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.844 -9.583 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.304 -6.269 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.893 -8.606 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.134 -6.952 -5.057 1.00 0.00 H new ATOM 1449 N ARG A 93 1.492 -10.885 -0.351 1.00 0.00 N ATOM 1450 CA ARG A 93 0.232 -11.295 0.193 1.00 0.00 C ATOM 1451 C ARG A 93 -0.564 -10.053 0.402 1.00 0.00 C ATOM 1452 O ARG A 93 -0.104 -9.133 1.085 1.00 0.00 O ATOM 1453 CB ARG A 93 0.346 -12.110 1.498 1.00 0.00 C ATOM 1454 CG ARG A 93 0.963 -13.492 1.328 1.00 0.00 C ATOM 1455 CD ARG A 93 2.475 -13.500 1.468 1.00 0.00 C ATOM 1456 NE ARG A 93 2.891 -13.339 2.871 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.088 -14.360 3.733 1.00 0.00 C ATOM 1458 NH1 ARG A 93 2.926 -15.625 3.338 1.00 0.00 N ATOM 1459 NH2 ARG A 93 3.455 -14.100 4.975 1.00 0.00 N ATOM 0 H ARG A 93 2.225 -10.720 0.339 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.252 -11.977 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.943 -11.545 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.648 -12.221 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.534 -14.167 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.695 -13.883 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.872 -14.436 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.901 -12.696 0.867 1.00 0.00 H new ATOM 0 HE ARG A 93 3.041 -12.391 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.651 -15.828 2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.077 -16.388 3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.587 -13.135 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.606 -14.865 5.633 1.00 0.00 H new ATOM 1473 N VAL A 94 -1.712 -9.994 -0.200 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.481 -8.799 -0.189 1.00 0.00 C ATOM 1475 C VAL A 94 -3.679 -8.996 0.727 1.00 0.00 C ATOM 1476 O VAL A 94 -4.401 -9.999 0.619 1.00 0.00 O ATOM 1477 CB VAL A 94 -2.909 -8.337 -1.649 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -1.772 -8.469 -2.647 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.160 -8.998 -2.198 1.00 0.00 C ATOM 0 H VAL A 94 -2.136 -10.770 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.865 -7.987 0.198 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.160 -7.284 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.111 -8.142 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.934 -7.850 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.454 -9.510 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.365 -8.615 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.010 -10.077 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.004 -8.778 -1.545 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.854 -8.113 1.682 1.00 0.00 N ATOM 1490 CA ASN A 95 -4.982 -8.252 2.579 1.00 0.00 C ATOM 1491 C ASN A 95 -5.268 -6.915 3.218 1.00 0.00 C ATOM 1492 O ASN A 95 -4.562 -5.949 2.957 1.00 0.00 O ATOM 1493 CB ASN A 95 -4.682 -9.335 3.677 1.00 0.00 C ATOM 1494 CG ASN A 95 -3.943 -8.827 4.921 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.110 -9.348 5.998 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.113 -7.872 4.779 1.00 0.00 N ATOM 0 H ASN A 95 -3.249 -7.311 1.858 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.856 -8.580 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.626 -9.778 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.091 -10.132 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.579 -7.537 5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.982 -7.442 3.863 1.00 0.00 H new