USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 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 25 GLN : amide:sc= -1.71! C(o=-5.2!,f=-14!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0) USER MOD Set 1.3: A 89 GLN :FLIP amide:sc= -1.07 F(o=-5.8,f=-5.2) USER MOD Set 1.4: A 90 HIS : no HE2:sc= -3.64! C(o=-5.2!,f=-23!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 39 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0117) USER MOD Single : A 43 SER OG : rot 53:sc= 1.21 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0.201 (180deg=-0.0491) USER MOD Single : A 49 THR OG1 : rot -160:sc= -0.648 USER MOD Single : A 50 ASN : amide:sc= -0.0709 K(o=-0.071,f=-6.5!) USER MOD Single : A 53 TYR OH : rot 74:sc= 0.896 USER MOD Single : A 60 THR OG1 : rot 49:sc= -0.71 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -1.2 (180deg=-2.65!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 164:sc= -0.703! USER MOD Single : A 70 SER OG : rot -177:sc= 0.0673 USER MOD Single : A 73 HIS : no HE2:sc= -12.8! C(o=-13!,f=-18!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= 0.996 (180deg=0.725) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -12.077 0.951 1.455 1.00 0.00 N ATOM 210 CA ASP A 15 -11.375 0.990 0.221 1.00 0.00 C ATOM 211 C ASP A 15 -10.517 2.143 0.081 1.00 0.00 C ATOM 212 O ASP A 15 -10.610 2.868 -0.916 1.00 0.00 O ATOM 213 CB ASP A 15 -12.302 0.916 -0.966 1.00 0.00 C ATOM 214 CG ASP A 15 -12.801 -0.438 -1.216 1.00 0.00 C ATOM 215 OD1 ASP A 15 -12.016 -1.254 -1.740 1.00 0.00 O ATOM 216 OD2 ASP A 15 -14.004 -0.704 -0.936 1.00 0.00 O ATOM 0 HA ASP A 15 -10.742 0.103 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.147 1.585 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.778 1.274 -1.852 1.00 0.00 H new ATOM 221 N SER A 16 -9.792 2.463 1.077 1.00 0.00 N ATOM 222 CA SER A 16 -8.772 3.390 0.809 1.00 0.00 C ATOM 223 C SER A 16 -7.367 2.853 1.060 1.00 0.00 C ATOM 224 O SER A 16 -6.409 3.341 0.472 1.00 0.00 O ATOM 225 CB SER A 16 -9.034 4.751 1.417 1.00 0.00 C ATOM 226 OG SER A 16 -9.207 4.662 2.832 1.00 0.00 O ATOM 0 H SER A 16 -9.875 2.121 2.034 1.00 0.00 H new ATOM 0 HA SER A 16 -8.803 3.551 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.203 5.419 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.925 5.188 0.966 1.00 0.00 H new ATOM 0 HG SER A 16 -9.373 5.556 3.198 1.00 0.00 H new ATOM 232 N VAL A 17 -7.242 1.800 1.862 1.00 0.00 N ATOM 233 CA VAL A 17 -5.898 1.378 2.281 1.00 0.00 C ATOM 234 C VAL A 17 -5.624 -0.103 2.008 1.00 0.00 C ATOM 235 O VAL A 17 -6.459 -0.972 2.296 1.00 0.00 O ATOM 236 CB VAL A 17 -5.614 1.695 3.790 1.00 0.00 C ATOM 237 CG1 VAL A 17 -4.163 1.399 4.162 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.963 3.134 4.141 1.00 0.00 C ATOM 0 H VAL A 17 -8.014 1.241 2.225 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.216 1.966 1.667 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.259 1.038 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.003 1.631 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.950 0.345 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.499 2.010 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.752 3.313 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.366 3.812 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.021 3.309 3.948 1.00 0.00 H new ATOM 248 N ILE A 18 -4.463 -0.358 1.431 1.00 0.00 N ATOM 249 CA ILE A 18 -3.977 -1.703 1.155 1.00 0.00 C ATOM 250 C ILE A 18 -2.913 -2.038 2.178 1.00 0.00 C ATOM 251 O ILE A 18 -2.116 -1.175 2.547 1.00 0.00 O ATOM 252 CB ILE A 18 -3.278 -1.792 -0.229 1.00 0.00 C ATOM 253 CG1 ILE A 18 -4.106 -1.153 -1.320 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.959 -3.237 -0.595 1.00 0.00 C ATOM 255 CD1 ILE A 18 -5.434 -1.820 -1.535 1.00 0.00 C ATOM 0 H ILE A 18 -3.818 0.375 1.135 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.833 -2.377 1.182 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.343 -1.238 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.271 -0.104 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.542 -1.175 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.470 -3.266 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.296 -3.665 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.883 -3.815 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.973 -1.308 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.277 -2.862 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.017 -1.775 -0.615 1.00 0.00 H new ATOM 267 N VAL A 19 -2.896 -3.260 2.589 1.00 0.00 N ATOM 268 CA VAL A 19 -1.918 -3.791 3.510 1.00 0.00 C ATOM 269 C VAL A 19 -1.184 -4.921 2.803 1.00 0.00 C ATOM 270 O VAL A 19 -1.776 -5.954 2.470 1.00 0.00 O ATOM 271 CB VAL A 19 -2.584 -4.356 4.785 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.561 -4.962 5.726 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.429 -3.308 5.495 1.00 0.00 C ATOM 0 H VAL A 19 -3.583 -3.952 2.289 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.242 -2.990 3.810 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.255 -5.154 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.065 -5.349 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.039 -5.775 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.842 -4.198 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.879 -3.746 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.799 -2.467 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.215 -2.960 4.825 1.00 0.00 H new ATOM 283 N VAL A 20 0.072 -4.726 2.562 1.00 0.00 N ATOM 284 CA VAL A 20 0.877 -5.697 1.836 1.00 0.00 C ATOM 285 C VAL A 20 2.006 -6.171 2.718 1.00 0.00 C ATOM 286 O VAL A 20 2.715 -5.351 3.279 1.00 0.00 O ATOM 287 CB VAL A 20 1.496 -5.079 0.561 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.249 -6.111 -0.229 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.459 -4.384 -0.288 1.00 0.00 C ATOM 0 H VAL A 20 0.583 -3.894 2.856 1.00 0.00 H new ATOM 0 HA VAL A 20 0.224 -6.522 1.552 1.00 0.00 H new ATOM 0 HB VAL A 20 2.208 -4.318 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.674 -5.649 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.051 -6.524 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.569 -6.911 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.936 -3.964 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.303 -5.102 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.006 -3.584 0.288 1.00 0.00 H new ATOM 299 N ASP A 21 2.188 -7.470 2.817 1.00 0.00 N ATOM 300 CA ASP A 21 3.242 -8.028 3.662 1.00 0.00 C ATOM 301 C ASP A 21 4.303 -8.674 2.782 1.00 0.00 C ATOM 302 O ASP A 21 3.978 -9.189 1.706 1.00 0.00 O ATOM 303 CB ASP A 21 2.667 -9.068 4.613 1.00 0.00 C ATOM 304 CG ASP A 21 3.596 -9.427 5.772 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.522 -10.237 5.584 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.379 -8.943 6.902 1.00 0.00 O ATOM 0 H ASP A 21 1.625 -8.165 2.327 1.00 0.00 H new ATOM 0 HA ASP A 21 3.687 -7.225 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.725 -8.696 5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.437 -9.973 4.051 1.00 0.00 H new ATOM 311 N ASN A 22 5.536 -8.648 3.268 1.00 0.00 N ATOM 312 CA ASN A 22 6.762 -9.123 2.604 1.00 0.00 C ATOM 313 C ASN A 22 6.921 -8.730 1.157 1.00 0.00 C ATOM 314 O ASN A 22 6.548 -9.453 0.218 1.00 0.00 O ATOM 315 CB ASN A 22 7.272 -10.563 2.966 1.00 0.00 C ATOM 316 CG ASN A 22 6.334 -11.734 2.694 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.380 -12.740 3.393 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.523 -11.643 1.710 1.00 0.00 N ATOM 0 H ASN A 22 5.729 -8.272 4.196 1.00 0.00 H new ATOM 0 HA ASN A 22 7.502 -8.508 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.197 -10.739 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.523 -10.573 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.896 -12.418 1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.503 -10.796 1.142 1.00 0.00 H new ATOM 325 N VAL A 23 7.464 -7.552 1.011 1.00 0.00 N ATOM 326 CA VAL A 23 7.740 -6.921 -0.229 1.00 0.00 C ATOM 327 C VAL A 23 9.238 -7.177 -0.547 1.00 0.00 C ATOM 328 O VAL A 23 9.853 -7.991 0.157 1.00 0.00 O ATOM 329 CB VAL A 23 7.408 -5.394 -0.092 1.00 0.00 C ATOM 330 CG1 VAL A 23 5.930 -5.197 0.175 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.238 -4.740 1.011 1.00 0.00 C ATOM 0 H VAL A 23 7.738 -6.981 1.811 1.00 0.00 H new ATOM 0 HA VAL A 23 7.136 -7.314 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 23 7.665 -4.911 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.716 -4.132 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.353 -5.613 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.657 -5.704 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.983 -3.682 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.026 -5.227 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.298 -4.844 0.779 1.00 0.00 H new ATOM 341 N PRO A 24 9.854 -6.551 -1.602 1.00 0.00 N ATOM 342 CA PRO A 24 11.262 -6.773 -1.908 1.00 0.00 C ATOM 343 C PRO A 24 12.199 -6.526 -0.739 1.00 0.00 C ATOM 344 O PRO A 24 11.994 -5.626 0.092 1.00 0.00 O ATOM 345 CB PRO A 24 11.576 -5.833 -3.054 1.00 0.00 C ATOM 346 CG PRO A 24 10.261 -5.558 -3.682 1.00 0.00 C ATOM 347 CD PRO A 24 9.250 -5.629 -2.569 1.00 0.00 C ATOM 0 HA PRO A 24 11.421 -7.822 -2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.045 -4.916 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.267 -6.289 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.252 -4.576 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.039 -6.289 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.072 -4.648 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.288 -5.998 -2.926 1.00 0.00 H new ATOM 355 N GLN A 25 13.208 -7.337 -0.689 1.00 0.00 N ATOM 356 CA GLN A 25 14.184 -7.282 0.340 1.00 0.00 C ATOM 357 C GLN A 25 15.281 -6.326 -0.107 1.00 0.00 C ATOM 358 O GLN A 25 15.388 -5.998 -1.302 1.00 0.00 O ATOM 359 CB GLN A 25 14.755 -8.687 0.548 1.00 0.00 C ATOM 360 CG GLN A 25 15.837 -9.079 -0.460 1.00 0.00 C ATOM 361 CD GLN A 25 15.740 -10.513 -0.918 1.00 0.00 C ATOM 362 OE1 GLN A 25 16.742 -11.159 -1.186 1.00 0.00 O ATOM 363 NE2 GLN A 25 14.540 -10.978 -1.140 1.00 0.00 N ATOM 0 H GLN A 25 13.375 -8.069 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 25 13.753 -6.933 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.170 -8.753 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 25 13.941 -9.410 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.769 -8.423 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.817 -8.914 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.723 -10.414 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.420 -11.905 -1.548 1.00 0.00 H new ATOM 372 N VAL A 26 16.096 -5.899 0.801 1.00 0.00 N ATOM 373 CA VAL A 26 17.151 -5.020 0.453 1.00 0.00 C ATOM 374 C VAL A 26 18.466 -5.625 0.874 1.00 0.00 C ATOM 375 O VAL A 26 18.602 -6.185 1.966 1.00 0.00 O ATOM 376 CB VAL A 26 16.988 -3.591 1.078 1.00 0.00 C ATOM 377 CG1 VAL A 26 18.100 -2.659 0.634 1.00 0.00 C ATOM 378 CG2 VAL A 26 15.642 -2.993 0.724 1.00 0.00 C ATOM 0 H VAL A 26 16.047 -6.148 1.789 1.00 0.00 H new ATOM 0 HA VAL A 26 17.123 -4.890 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 26 17.049 -3.705 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.955 -1.678 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.062 -3.065 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.083 -2.564 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.555 -2.002 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.553 -2.912 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.847 -3.634 1.106 1.00 0.00 H new ATOM 388 N GLY A 27 19.387 -5.560 -0.017 1.00 0.00 N ATOM 389 CA GLY A 27 20.723 -5.953 0.248 1.00 0.00 C ATOM 390 C GLY A 27 21.511 -4.697 0.288 1.00 0.00 C ATOM 391 O GLY A 27 21.107 -3.762 0.975 1.00 0.00 O ATOM 0 H GLY A 27 19.231 -5.226 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.793 -6.489 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.095 -6.624 -0.527 1.00 0.00 H new ATOM 395 N PRO A 28 22.590 -4.574 -0.439 1.00 0.00 N ATOM 396 CA PRO A 28 23.257 -3.314 -0.492 1.00 0.00 C ATOM 397 C PRO A 28 22.573 -2.378 -1.504 1.00 0.00 C ATOM 398 O PRO A 28 22.389 -2.736 -2.677 1.00 0.00 O ATOM 399 CB PRO A 28 24.674 -3.673 -0.940 1.00 0.00 C ATOM 400 CG PRO A 28 24.563 -4.992 -1.646 1.00 0.00 C ATOM 401 CD PRO A 28 23.257 -5.623 -1.229 1.00 0.00 C ATOM 0 HA PRO A 28 23.242 -2.783 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.079 -2.908 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 28 25.347 -3.743 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.593 -4.852 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.401 -5.638 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.659 -5.912 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.420 -6.524 -0.638 1.00 0.00 H new ATOM 409 N ASP A 29 22.180 -1.199 -1.017 1.00 0.00 N ATOM 410 CA ASP A 29 21.645 -0.074 -1.821 1.00 0.00 C ATOM 411 C ASP A 29 20.483 -0.506 -2.784 1.00 0.00 C ATOM 412 O ASP A 29 20.292 0.052 -3.856 1.00 0.00 O ATOM 413 CB ASP A 29 22.828 0.572 -2.576 1.00 0.00 C ATOM 414 CG ASP A 29 22.509 1.878 -3.274 1.00 0.00 C ATOM 415 OD1 ASP A 29 22.252 2.890 -2.589 1.00 0.00 O ATOM 416 OD2 ASP A 29 22.582 1.931 -4.519 1.00 0.00 O ATOM 0 H ASP A 29 22.223 -0.984 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 29 21.186 0.658 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.639 0.745 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.197 -0.137 -3.317 1.00 0.00 H new ATOM 421 N ARG A 30 19.671 -1.473 -2.366 1.00 0.00 N ATOM 422 CA ARG A 30 18.557 -1.953 -3.229 1.00 0.00 C ATOM 423 C ARG A 30 17.227 -1.264 -2.892 1.00 0.00 C ATOM 424 O ARG A 30 16.211 -1.527 -3.519 1.00 0.00 O ATOM 425 CB ARG A 30 18.352 -3.477 -3.130 1.00 0.00 C ATOM 426 CG ARG A 30 19.539 -4.340 -3.514 1.00 0.00 C ATOM 427 CD ARG A 30 19.155 -5.816 -3.451 1.00 0.00 C ATOM 428 NE ARG A 30 20.307 -6.707 -3.586 1.00 0.00 N ATOM 429 CZ ARG A 30 20.279 -8.036 -3.359 1.00 0.00 C ATOM 430 NH1 ARG A 30 19.112 -8.672 -3.209 1.00 0.00 N ATOM 431 NH2 ARG A 30 21.407 -8.727 -3.348 1.00 0.00 N ATOM 0 H ARG A 30 19.746 -1.939 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 30 18.853 -1.696 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.070 -3.719 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.510 -3.751 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.874 -4.086 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.374 -4.144 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.655 -6.017 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.438 -6.034 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 30 21.195 -6.294 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.237 -8.152 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.097 -9.677 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.296 -8.254 -3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.388 -9.732 -3.176 1.00 0.00 H new ATOM 445 N LEU A 31 17.244 -0.387 -1.915 1.00 0.00 N ATOM 446 CA LEU A 31 16.019 0.259 -1.446 1.00 0.00 C ATOM 447 C LEU A 31 15.461 1.279 -2.474 1.00 0.00 C ATOM 448 O LEU A 31 14.243 1.472 -2.554 1.00 0.00 O ATOM 449 CB LEU A 31 16.270 0.873 -0.036 1.00 0.00 C ATOM 450 CG LEU A 31 15.062 1.385 0.807 1.00 0.00 C ATOM 451 CD1 LEU A 31 14.551 2.726 0.347 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.928 0.378 0.806 1.00 0.00 C ATOM 0 H LEU A 31 18.089 -0.098 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 31 15.233 -0.490 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.788 0.121 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.958 1.709 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 31 15.437 1.508 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.711 3.029 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.348 3.466 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.224 2.655 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.100 0.762 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.592 0.210 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.276 -0.563 1.233 1.00 0.00 H new ATOM 464 N GLU A 32 16.335 1.884 -3.283 1.00 0.00 N ATOM 465 CA GLU A 32 15.893 2.884 -4.269 1.00 0.00 C ATOM 466 C GLU A 32 14.943 2.285 -5.281 1.00 0.00 C ATOM 467 O GLU A 32 13.845 2.797 -5.493 1.00 0.00 O ATOM 468 CB GLU A 32 17.055 3.520 -5.011 1.00 0.00 C ATOM 469 CG GLU A 32 18.014 4.276 -4.151 1.00 0.00 C ATOM 470 CD GLU A 32 18.982 5.076 -4.969 1.00 0.00 C ATOM 471 OE1 GLU A 32 19.932 4.505 -5.522 1.00 0.00 O ATOM 472 OE2 GLU A 32 18.812 6.298 -5.074 1.00 0.00 O ATOM 0 H GLU A 32 17.339 1.705 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 32 15.379 3.655 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.602 2.738 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.657 4.197 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.461 4.942 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.562 3.579 -3.518 1.00 0.00 H new ATOM 479 N LYS A 33 15.352 1.172 -5.871 1.00 0.00 N ATOM 480 CA LYS A 33 14.561 0.507 -6.898 1.00 0.00 C ATOM 481 C LYS A 33 13.254 -0.016 -6.314 1.00 0.00 C ATOM 482 O LYS A 33 12.248 -0.121 -7.023 1.00 0.00 O ATOM 483 CB LYS A 33 15.349 -0.640 -7.546 1.00 0.00 C ATOM 484 CG LYS A 33 15.702 -1.774 -6.587 1.00 0.00 C ATOM 485 CD LYS A 33 16.452 -2.895 -7.269 1.00 0.00 C ATOM 486 CE LYS A 33 17.808 -2.446 -7.782 1.00 0.00 C ATOM 487 NZ LYS A 33 18.521 -3.546 -8.440 1.00 0.00 N ATOM 0 H LYS A 33 16.234 0.707 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 33 14.331 1.242 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.765 -1.046 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.269 -0.239 -7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.307 -1.380 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.788 -2.169 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.585 -3.720 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.858 -3.275 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.679 -1.622 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.406 -2.067 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.444 -3.208 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.665 -4.321 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.961 -3.890 -9.246 1.00 0.00 H new ATOM 501 N LEU A 34 13.279 -0.305 -5.018 1.00 0.00 N ATOM 502 CA LEU A 34 12.128 -0.805 -4.309 1.00 0.00 C ATOM 503 C LEU A 34 11.058 0.280 -4.288 1.00 0.00 C ATOM 504 O LEU A 34 9.899 0.014 -4.572 1.00 0.00 O ATOM 505 CB LEU A 34 12.550 -1.248 -2.873 1.00 0.00 C ATOM 506 CG LEU A 34 11.524 -2.019 -1.989 1.00 0.00 C ATOM 507 CD1 LEU A 34 12.225 -2.574 -0.771 1.00 0.00 C ATOM 508 CD2 LEU A 34 10.373 -1.134 -1.519 1.00 0.00 C ATOM 0 H LEU A 34 14.108 -0.195 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 34 11.714 -1.681 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.437 -1.874 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.848 -0.353 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 34 11.109 -2.816 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.508 -3.113 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.017 -3.254 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.657 -1.755 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.688 -1.722 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.768 -0.307 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.840 -0.741 -2.384 1.00 0.00 H new ATOM 520 N LYS A 35 11.468 1.513 -4.014 1.00 0.00 N ATOM 521 CA LYS A 35 10.534 2.630 -3.948 1.00 0.00 C ATOM 522 C LYS A 35 9.811 2.837 -5.276 1.00 0.00 C ATOM 523 O LYS A 35 8.621 3.134 -5.305 1.00 0.00 O ATOM 524 CB LYS A 35 11.230 3.945 -3.583 1.00 0.00 C ATOM 525 CG LYS A 35 11.827 4.020 -2.192 1.00 0.00 C ATOM 526 CD LYS A 35 12.330 5.431 -1.930 1.00 0.00 C ATOM 527 CE LYS A 35 12.913 5.594 -0.545 1.00 0.00 C ATOM 528 NZ LYS A 35 13.289 6.995 -0.268 1.00 0.00 N ATOM 0 H LYS A 35 12.440 1.764 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 35 9.819 2.368 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.024 4.125 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.510 4.756 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.079 3.746 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.646 3.307 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.088 5.686 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.508 6.135 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.187 5.259 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.790 4.955 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.685 7.065 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.000 7.307 -0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.447 7.601 -0.340 1.00 0.00 H new ATOM 542 N ASN A 36 10.532 2.647 -6.367 1.00 0.00 N ATOM 543 CA ASN A 36 10.021 2.922 -7.675 1.00 0.00 C ATOM 544 C ASN A 36 9.168 1.810 -8.178 1.00 0.00 C ATOM 545 O ASN A 36 8.182 2.046 -8.867 1.00 0.00 O ATOM 546 CB ASN A 36 11.164 3.183 -8.647 1.00 0.00 C ATOM 547 CG ASN A 36 11.855 4.511 -8.424 1.00 0.00 C ATOM 548 OD1 ASN A 36 12.779 4.615 -7.629 1.00 0.00 O ATOM 549 ND2 ASN A 36 11.429 5.531 -9.118 1.00 0.00 N ATOM 0 H ASN A 36 11.490 2.296 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 36 9.399 3.814 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.897 2.381 -8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.779 3.150 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.869 6.444 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.656 5.415 -9.774 1.00 0.00 H new ATOM 556 N VAL A 37 9.515 0.596 -7.808 1.00 0.00 N ATOM 557 CA VAL A 37 8.807 -0.553 -8.306 1.00 0.00 C ATOM 558 C VAL A 37 7.394 -0.622 -7.710 1.00 0.00 C ATOM 559 O VAL A 37 6.454 -1.059 -8.379 1.00 0.00 O ATOM 560 CB VAL A 37 9.598 -1.883 -8.081 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.582 -2.365 -6.640 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.137 -2.957 -9.031 1.00 0.00 C ATOM 0 H VAL A 37 10.280 0.384 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 37 8.712 -0.434 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 37 10.641 -1.655 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.150 -3.292 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.031 -1.607 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.553 -2.542 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.705 -3.870 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.076 -3.152 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.296 -2.627 -10.058 1.00 0.00 H new ATOM 572 N ILE A 38 7.243 -0.121 -6.478 1.00 0.00 N ATOM 573 CA ILE A 38 5.959 -0.122 -5.802 1.00 0.00 C ATOM 574 C ILE A 38 4.955 0.745 -6.546 1.00 0.00 C ATOM 575 O ILE A 38 3.986 0.235 -7.101 1.00 0.00 O ATOM 576 CB ILE A 38 6.056 0.356 -4.322 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.057 -0.497 -3.522 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.684 0.347 -3.649 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.828 -1.991 -3.613 1.00 0.00 C ATOM 0 H ILE A 38 8.003 0.290 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 38 5.620 -1.158 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 38 6.423 1.382 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.065 -0.275 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.012 -0.199 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.783 0.685 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.011 1.014 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.279 -0.665 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.579 -2.511 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.835 -2.231 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.904 -2.308 -4.653 1.00 0.00 H new ATOM 591 N HIS A 39 5.212 2.046 -6.615 1.00 0.00 N ATOM 592 CA HIS A 39 4.270 2.951 -7.250 1.00 0.00 C ATOM 593 C HIS A 39 4.060 2.653 -8.736 1.00 0.00 C ATOM 594 O HIS A 39 3.007 2.943 -9.278 1.00 0.00 O ATOM 595 CB HIS A 39 4.577 4.442 -6.969 1.00 0.00 C ATOM 596 CG HIS A 39 5.959 4.924 -7.312 1.00 0.00 C ATOM 597 ND1 HIS A 39 6.829 5.456 -6.387 1.00 0.00 N ATOM 598 CD2 HIS A 39 6.594 5.000 -8.504 1.00 0.00 C ATOM 599 CE1 HIS A 39 7.934 5.830 -7.023 1.00 0.00 C ATOM 600 NE2 HIS A 39 7.845 5.575 -8.317 1.00 0.00 N ATOM 0 H HIS A 39 6.052 2.490 -6.244 1.00 0.00 H new ATOM 0 HA HIS A 39 3.310 2.754 -6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.859 5.047 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.404 4.631 -5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.193 4.667 -9.450 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.791 6.282 -6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.549 5.762 -9.031 1.00 0.00 H new ATOM 608 N LYS A 40 5.046 2.041 -9.362 1.00 0.00 N ATOM 609 CA LYS A 40 4.969 1.619 -10.729 1.00 0.00 C ATOM 610 C LYS A 40 3.885 0.534 -10.900 1.00 0.00 C ATOM 611 O LYS A 40 2.919 0.714 -11.654 1.00 0.00 O ATOM 612 CB LYS A 40 6.328 1.075 -11.072 1.00 0.00 C ATOM 613 CG LYS A 40 6.454 0.348 -12.359 1.00 0.00 C ATOM 614 CD LYS A 40 7.835 -0.216 -12.440 1.00 0.00 C ATOM 615 CE LYS A 40 7.988 -1.138 -13.614 1.00 0.00 C ATOM 616 NZ LYS A 40 7.790 -0.456 -14.914 1.00 0.00 N ATOM 0 H LYS A 40 5.938 1.823 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 40 4.696 2.444 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.034 1.906 -11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.637 0.403 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.713 -0.449 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.268 1.021 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.557 0.597 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.063 -0.756 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.982 -1.584 -13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.270 -1.954 -13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.941 -1.134 -15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.821 -0.082 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.469 0.327 -15.002 1.00 0.00 H new ATOM 630 N ILE A 41 4.029 -0.556 -10.163 1.00 0.00 N ATOM 631 CA ILE A 41 3.111 -1.690 -10.254 1.00 0.00 C ATOM 632 C ILE A 41 1.750 -1.340 -9.668 1.00 0.00 C ATOM 633 O ILE A 41 0.706 -1.695 -10.218 1.00 0.00 O ATOM 634 CB ILE A 41 3.696 -2.938 -9.530 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.001 -3.387 -10.210 1.00 0.00 C ATOM 636 CG2 ILE A 41 2.680 -4.085 -9.484 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.690 -4.549 -9.523 1.00 0.00 C ATOM 0 H ILE A 41 4.781 -0.684 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 41 2.984 -1.926 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 41 3.919 -2.658 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.783 -3.666 -11.241 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.688 -2.542 -10.247 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.120 -4.941 -8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.789 -3.760 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.408 -4.371 -10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.601 -4.803 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.942 -4.269 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.023 -5.411 -9.510 1.00 0.00 H new ATOM 649 N PHE A 42 1.755 -0.607 -8.597 1.00 0.00 N ATOM 650 CA PHE A 42 0.538 -0.292 -7.909 1.00 0.00 C ATOM 651 C PHE A 42 -0.339 0.746 -8.625 1.00 0.00 C ATOM 652 O PHE A 42 -1.473 0.968 -8.236 1.00 0.00 O ATOM 653 CB PHE A 42 0.810 0.065 -6.460 1.00 0.00 C ATOM 654 CG PHE A 42 1.098 -1.126 -5.582 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.353 -1.706 -5.538 1.00 0.00 C ATOM 656 CD2 PHE A 42 0.108 -1.645 -4.786 1.00 0.00 C ATOM 657 CE1 PHE A 42 2.608 -2.780 -4.718 1.00 0.00 C ATOM 658 CE2 PHE A 42 0.351 -2.715 -3.962 1.00 0.00 C ATOM 659 CZ PHE A 42 1.605 -3.288 -3.926 1.00 0.00 C ATOM 0 H PHE A 42 2.596 -0.212 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.064 -1.201 -7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.658 0.749 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.051 0.600 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.144 -1.309 -6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.878 -1.204 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.593 -3.223 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.440 -3.109 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.798 -4.131 -3.279 1.00 0.00 H new ATOM 669 N SER A 43 0.165 1.341 -9.691 1.00 0.00 N ATOM 670 CA SER A 43 -0.624 2.265 -10.490 1.00 0.00 C ATOM 671 C SER A 43 -1.769 1.560 -11.284 1.00 0.00 C ATOM 672 O SER A 43 -2.590 2.222 -11.932 1.00 0.00 O ATOM 673 CB SER A 43 0.271 3.079 -11.417 1.00 0.00 C ATOM 674 OG SER A 43 1.097 3.992 -10.692 1.00 0.00 O ATOM 0 H SER A 43 1.119 1.201 -10.025 1.00 0.00 H new ATOM 0 HA SER A 43 -1.112 2.945 -9.792 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.899 2.405 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.346 3.632 -12.125 1.00 0.00 H new ATOM 0 HG SER A 43 1.590 3.507 -9.998 1.00 0.00 H new ATOM 680 N LYS A 44 -1.813 0.224 -11.251 1.00 0.00 N ATOM 681 CA LYS A 44 -2.917 -0.529 -11.891 1.00 0.00 C ATOM 682 C LYS A 44 -4.177 -0.342 -11.069 1.00 0.00 C ATOM 683 O LYS A 44 -5.297 -0.324 -11.582 1.00 0.00 O ATOM 684 CB LYS A 44 -2.613 -2.016 -11.906 1.00 0.00 C ATOM 685 CG LYS A 44 -1.276 -2.364 -12.469 1.00 0.00 C ATOM 686 CD LYS A 44 -1.015 -3.842 -12.349 1.00 0.00 C ATOM 687 CE LYS A 44 0.433 -4.131 -12.599 1.00 0.00 C ATOM 688 NZ LYS A 44 0.744 -5.571 -12.505 1.00 0.00 N ATOM 0 H LYS A 44 -1.111 -0.360 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.038 -0.161 -12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.676 -2.398 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.382 -2.526 -12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.228 -2.065 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.499 -1.809 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.297 -4.189 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.631 -4.387 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.708 -3.767 -13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.040 -3.583 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.757 -5.720 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.508 -5.916 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.186 -6.093 -13.210 1.00 0.00 H new ATOM 702 N PHE A 45 -3.971 -0.197 -9.780 1.00 0.00 N ATOM 703 CA PHE A 45 -5.067 -0.054 -8.824 1.00 0.00 C ATOM 704 C PHE A 45 -5.512 1.410 -8.717 1.00 0.00 C ATOM 705 O PHE A 45 -6.288 1.779 -7.829 1.00 0.00 O ATOM 706 CB PHE A 45 -4.637 -0.579 -7.445 1.00 0.00 C ATOM 707 CG PHE A 45 -4.078 -1.978 -7.470 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.912 -3.082 -7.425 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.709 -2.182 -7.551 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.390 -4.359 -7.460 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.182 -3.453 -7.589 1.00 0.00 C ATOM 712 CZ PHE A 45 -3.022 -4.544 -7.543 1.00 0.00 C ATOM 0 H PHE A 45 -3.044 -0.174 -9.356 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.912 -0.642 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.887 0.094 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.495 -0.553 -6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.981 -2.943 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.046 -1.330 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.049 -5.213 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.113 -3.595 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.612 -5.543 -7.572 1.00 0.00 H new ATOM 722 N GLY A 46 -5.025 2.225 -9.618 1.00 0.00 N ATOM 723 CA GLY A 46 -5.348 3.619 -9.636 1.00 0.00 C ATOM 724 C GLY A 46 -4.104 4.414 -9.422 1.00 0.00 C ATOM 725 O GLY A 46 -3.012 3.861 -9.485 1.00 0.00 O ATOM 0 H GLY A 46 -4.390 1.933 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.805 3.886 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.077 3.846 -8.858 1.00 0.00 H new ATOM 729 N LYS A 47 -4.228 5.676 -9.169 1.00 0.00 N ATOM 730 CA LYS A 47 -3.059 6.459 -8.924 1.00 0.00 C ATOM 731 C LYS A 47 -2.792 6.410 -7.442 1.00 0.00 C ATOM 732 O LYS A 47 -3.736 6.390 -6.646 1.00 0.00 O ATOM 733 CB LYS A 47 -3.235 7.913 -9.379 1.00 0.00 C ATOM 734 CG LYS A 47 -1.922 8.698 -9.381 1.00 0.00 C ATOM 735 CD LYS A 47 -2.110 10.185 -9.649 1.00 0.00 C ATOM 736 CE LYS A 47 -2.801 10.884 -8.488 1.00 0.00 C ATOM 737 NZ LYS A 47 -2.022 10.791 -7.226 1.00 0.00 N ATOM 0 H LYS A 47 -5.113 6.182 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.223 6.053 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.662 7.926 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.949 8.410 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.428 8.569 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.258 8.280 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.139 10.648 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.698 10.319 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.956 11.933 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.786 10.443 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.422 11.444 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.067 9.818 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.031 11.046 -7.410 1.00 0.00 H new ATOM 751 N ILE A 48 -1.542 6.411 -7.068 1.00 0.00 N ATOM 752 CA ILE A 48 -1.178 6.365 -5.690 1.00 0.00 C ATOM 753 C ILE A 48 -1.484 7.736 -5.090 1.00 0.00 C ATOM 754 O ILE A 48 -0.878 8.749 -5.476 1.00 0.00 O ATOM 755 CB ILE A 48 0.349 6.093 -5.546 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.795 4.857 -6.370 1.00 0.00 C ATOM 757 CG2 ILE A 48 0.727 5.923 -4.085 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.194 3.545 -5.935 1.00 0.00 C ATOM 0 H ILE A 48 -0.753 6.444 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.729 5.572 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 48 0.874 6.961 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.540 5.026 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.881 4.777 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.798 5.734 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.477 6.831 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.178 5.082 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.568 2.744 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.470 3.344 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.892 3.597 -6.017 1.00 0.00 H new ATOM 770 N THR A 49 -2.481 7.782 -4.241 1.00 0.00 N ATOM 771 CA THR A 49 -2.872 9.001 -3.595 1.00 0.00 C ATOM 772 C THR A 49 -1.854 9.315 -2.498 1.00 0.00 C ATOM 773 O THR A 49 -1.350 10.436 -2.391 1.00 0.00 O ATOM 774 CB THR A 49 -4.287 8.851 -3.004 1.00 0.00 C ATOM 775 OG1 THR A 49 -5.156 8.317 -4.027 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.830 10.193 -2.540 1.00 0.00 C ATOM 0 H THR A 49 -3.042 6.971 -3.981 1.00 0.00 H new ATOM 0 HA THR A 49 -2.894 9.821 -4.313 1.00 0.00 H new ATOM 0 HB THR A 49 -4.243 8.183 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.089 8.506 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.830 10.058 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.174 10.606 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.876 10.879 -3.386 1.00 0.00 H new ATOM 784 N ASN A 50 -1.530 8.308 -1.727 1.00 0.00 N ATOM 785 CA ASN A 50 -0.526 8.406 -0.697 1.00 0.00 C ATOM 786 C ASN A 50 0.036 7.001 -0.524 1.00 0.00 C ATOM 787 O ASN A 50 -0.649 6.017 -0.832 1.00 0.00 O ATOM 788 CB ASN A 50 -1.136 8.918 0.633 1.00 0.00 C ATOM 789 CG ASN A 50 -0.101 9.451 1.624 1.00 0.00 C ATOM 790 OD1 ASN A 50 1.068 9.076 1.607 1.00 0.00 O ATOM 791 ND2 ASN A 50 -0.527 10.312 2.509 1.00 0.00 N ATOM 0 H ASN A 50 -1.961 7.386 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 50 0.251 9.118 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.854 9.708 0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.691 8.106 1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.116 10.688 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.503 10.609 2.503 1.00 0.00 H new ATOM 798 N ASP A 51 1.244 6.899 -0.100 1.00 0.00 N ATOM 799 CA ASP A 51 1.903 5.633 0.082 1.00 0.00 C ATOM 800 C ASP A 51 2.804 5.703 1.273 1.00 0.00 C ATOM 801 O ASP A 51 3.487 6.707 1.494 1.00 0.00 O ATOM 802 CB ASP A 51 2.661 5.173 -1.196 1.00 0.00 C ATOM 803 CG ASP A 51 3.692 6.166 -1.753 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.445 7.387 -1.752 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.754 5.732 -2.256 1.00 0.00 O ATOM 0 H ASP A 51 1.824 7.704 0.138 1.00 0.00 H new ATOM 0 HA ASP A 51 1.143 4.874 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.170 4.234 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.928 4.963 -1.975 1.00 0.00 H new ATOM 810 N PHE A 52 2.771 4.668 2.065 1.00 0.00 N ATOM 811 CA PHE A 52 3.539 4.608 3.289 1.00 0.00 C ATOM 812 C PHE A 52 4.362 3.350 3.291 1.00 0.00 C ATOM 813 O PHE A 52 3.812 2.237 3.297 1.00 0.00 O ATOM 814 CB PHE A 52 2.621 4.600 4.527 1.00 0.00 C ATOM 815 CG PHE A 52 1.725 5.800 4.677 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.175 6.938 5.321 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.428 5.779 4.186 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.352 8.033 5.475 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.399 6.871 4.336 1.00 0.00 C ATOM 820 CZ PHE A 52 0.065 8.001 4.981 1.00 0.00 C ATOM 0 H PHE A 52 2.210 3.836 1.884 1.00 0.00 H new ATOM 0 HA PHE A 52 4.177 5.490 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.999 3.706 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.243 4.519 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.183 6.969 5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.062 4.897 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.715 8.915 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.407 6.843 3.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.580 8.859 5.098 1.00 0.00 H new ATOM 830 N TYR A 53 5.651 3.498 3.221 1.00 0.00 N ATOM 831 CA TYR A 53 6.517 2.358 3.274 1.00 0.00 C ATOM 832 C TYR A 53 7.215 2.346 4.615 1.00 0.00 C ATOM 833 O TYR A 53 8.090 3.177 4.853 1.00 0.00 O ATOM 834 CB TYR A 53 7.612 2.379 2.184 1.00 0.00 C ATOM 835 CG TYR A 53 7.176 2.642 0.757 1.00 0.00 C ATOM 836 CD1 TYR A 53 5.879 2.405 0.316 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.088 3.152 -0.150 1.00 0.00 C ATOM 838 CE1 TYR A 53 5.512 2.683 -0.979 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.733 3.421 -1.444 1.00 0.00 C ATOM 840 CZ TYR A 53 6.447 3.192 -1.856 1.00 0.00 C ATOM 841 OH TYR A 53 6.081 3.505 -3.145 1.00 0.00 O ATOM 0 H TYR A 53 6.126 4.396 3.127 1.00 0.00 H new ATOM 0 HA TYR A 53 5.895 1.477 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.344 3.139 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.127 1.419 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.150 1.997 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.102 3.342 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.499 2.504 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.463 3.812 -2.137 1.00 0.00 H new ATOM 0 HH TYR A 53 5.548 4.328 -3.143 1.00 0.00 H new ATOM 851 N PRO A 54 6.842 1.452 5.526 1.00 0.00 N ATOM 852 CA PRO A 54 7.571 1.286 6.768 1.00 0.00 C ATOM 853 C PRO A 54 8.943 0.684 6.473 1.00 0.00 C ATOM 854 O PRO A 54 9.235 0.334 5.317 1.00 0.00 O ATOM 855 CB PRO A 54 6.745 0.332 7.602 1.00 0.00 C ATOM 856 CG PRO A 54 5.473 0.100 6.843 1.00 0.00 C ATOM 857 CD PRO A 54 5.699 0.551 5.430 1.00 0.00 C ATOM 0 HA PRO A 54 7.727 2.232 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.278 -0.605 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.539 0.754 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.199 -0.955 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.651 0.655 7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.909 -0.291 4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.823 1.059 5.028 1.00 0.00 H new ATOM 865 N GLU A 55 9.774 0.564 7.469 1.00 0.00 N ATOM 866 CA GLU A 55 11.157 0.127 7.273 1.00 0.00 C ATOM 867 C GLU A 55 11.842 -0.079 8.609 1.00 0.00 C ATOM 868 O GLU A 55 11.221 0.060 9.671 1.00 0.00 O ATOM 869 CB GLU A 55 11.927 1.196 6.486 1.00 0.00 C ATOM 870 CG GLU A 55 11.943 2.526 7.185 1.00 0.00 C ATOM 871 CD GLU A 55 12.617 3.622 6.413 1.00 0.00 C ATOM 872 OE1 GLU A 55 12.337 3.801 5.205 1.00 0.00 O ATOM 873 OE2 GLU A 55 13.434 4.335 7.007 1.00 0.00 O ATOM 0 H GLU A 55 9.530 0.761 8.439 1.00 0.00 H new ATOM 0 HA GLU A 55 11.147 -0.814 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.952 0.859 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.476 1.313 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.916 2.825 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.445 2.412 8.146 1.00 0.00 H new ATOM 936 N THR A 60 15.807 -2.816 4.764 1.00 0.00 N ATOM 937 CA THR A 60 14.774 -3.753 4.383 1.00 0.00 C ATOM 938 C THR A 60 13.498 -3.664 5.225 1.00 0.00 C ATOM 939 O THR A 60 13.516 -3.756 6.453 1.00 0.00 O ATOM 940 CB THR A 60 15.353 -5.153 4.473 1.00 0.00 C ATOM 941 OG1 THR A 60 16.599 -5.148 3.780 1.00 0.00 O ATOM 942 CG2 THR A 60 14.436 -6.161 3.821 1.00 0.00 C ATOM 0 HA THR A 60 14.468 -3.501 3.367 1.00 0.00 H new ATOM 0 HB THR A 60 15.476 -5.430 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 60 17.136 -4.385 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.874 -7.156 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.468 -6.150 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.303 -5.905 2.770 1.00 0.00 H new ATOM 950 N LYS A 61 12.418 -3.465 4.541 1.00 0.00 N ATOM 951 CA LYS A 61 11.131 -3.368 5.131 1.00 0.00 C ATOM 952 C LYS A 61 10.414 -4.697 4.981 1.00 0.00 C ATOM 953 O LYS A 61 10.857 -5.560 4.218 1.00 0.00 O ATOM 954 CB LYS A 61 10.365 -2.241 4.458 1.00 0.00 C ATOM 955 CG LYS A 61 10.209 -2.381 2.950 1.00 0.00 C ATOM 956 CD LYS A 61 9.545 -1.156 2.311 1.00 0.00 C ATOM 957 CE LYS A 61 10.513 0.034 2.067 1.00 0.00 C ATOM 958 NZ LYS A 61 11.088 0.637 3.295 1.00 0.00 N ATOM 0 H LYS A 61 12.412 -3.363 3.526 1.00 0.00 H new ATOM 0 HA LYS A 61 11.208 -3.143 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.374 -2.177 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.872 -1.300 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.190 -2.535 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.615 -3.268 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.102 -1.451 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.730 -0.822 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.330 -0.306 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.981 0.809 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.400 1.608 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.366 0.655 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.901 0.071 3.612 1.00 0.00 H new ATOM 972 N GLY A 62 9.336 -4.874 5.692 1.00 0.00 N ATOM 973 CA GLY A 62 8.649 -6.133 5.628 1.00 0.00 C ATOM 974 C GLY A 62 7.210 -6.020 5.224 1.00 0.00 C ATOM 975 O GLY A 62 6.532 -7.019 5.127 1.00 0.00 O ATOM 0 H GLY A 62 8.920 -4.178 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.165 -6.782 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.705 -6.617 6.603 1.00 0.00 H new ATOM 979 N TYR A 63 6.737 -4.814 4.992 1.00 0.00 N ATOM 980 CA TYR A 63 5.348 -4.590 4.625 1.00 0.00 C ATOM 981 C TYR A 63 5.183 -3.150 4.182 1.00 0.00 C ATOM 982 O TYR A 63 6.069 -2.335 4.465 1.00 0.00 O ATOM 983 CB TYR A 63 4.396 -4.940 5.809 1.00 0.00 C ATOM 984 CG TYR A 63 4.537 -4.091 7.060 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.699 -4.110 7.826 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.499 -3.284 7.477 1.00 0.00 C ATOM 987 CE1 TYR A 63 5.816 -3.344 8.966 1.00 0.00 C ATOM 988 CE2 TYR A 63 3.608 -2.517 8.619 1.00 0.00 C ATOM 989 CZ TYR A 63 4.768 -2.551 9.358 1.00 0.00 C ATOM 990 OH TYR A 63 4.878 -1.784 10.493 1.00 0.00 O ATOM 0 H TYR A 63 7.297 -3.964 5.051 1.00 0.00 H new ATOM 0 HA TYR A 63 5.077 -5.247 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.368 -4.861 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.560 -5.982 6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.524 -4.737 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.586 -3.252 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.726 -3.368 9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.785 -1.892 8.932 1.00 0.00 H new ATOM 0 HH TYR A 63 4.048 -1.280 10.629 1.00 0.00 H new ATOM 1000 N ILE A 64 4.102 -2.844 3.454 1.00 0.00 N ATOM 1001 CA ILE A 64 3.813 -1.468 2.994 1.00 0.00 C ATOM 1002 C ILE A 64 2.304 -1.203 3.021 1.00 0.00 C ATOM 1003 O ILE A 64 1.503 -2.130 3.235 1.00 0.00 O ATOM 1004 CB ILE A 64 4.323 -1.178 1.544 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.652 -2.125 0.548 1.00 0.00 C ATOM 1006 CG2 ILE A 64 5.849 -1.246 1.446 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.050 -1.911 -0.894 1.00 0.00 C ATOM 0 H ILE A 64 3.405 -3.531 3.166 1.00 0.00 H new ATOM 0 HA ILE A 64 4.345 -0.811 3.682 1.00 0.00 H new ATOM 0 HB ILE A 64 4.043 -0.156 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.889 -3.152 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.571 -2.013 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.157 -1.038 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.290 -0.507 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.188 -2.242 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.525 -2.627 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.787 -0.898 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.125 -2.054 -1.000 1.00 0.00 H new ATOM 1019 N PHE A 65 1.933 0.051 2.782 1.00 0.00 N ATOM 1020 CA PHE A 65 0.541 0.490 2.754 1.00 0.00 C ATOM 1021 C PHE A 65 0.318 1.406 1.572 1.00 0.00 C ATOM 1022 O PHE A 65 1.160 2.266 1.262 1.00 0.00 O ATOM 1023 CB PHE A 65 0.156 1.254 4.029 1.00 0.00 C ATOM 1024 CG PHE A 65 0.272 0.475 5.298 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.778 -0.307 5.746 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.428 0.536 6.053 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.674 -1.018 6.924 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.536 -0.167 7.226 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.485 -0.948 7.664 1.00 0.00 C ATOM 0 H PHE A 65 2.599 0.801 2.600 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.078 -0.404 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.786 2.140 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.872 1.602 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.688 -0.361 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.255 1.143 5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.498 -1.627 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.444 -0.110 7.808 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.572 -1.503 8.586 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.794 1.222 0.929 1.00 0.00 N ATOM 1040 CA LEU A 66 -1.189 2.018 -0.214 1.00 0.00 C ATOM 1041 C LEU A 66 -2.481 2.737 0.132 1.00 0.00 C ATOM 1042 O LEU A 66 -3.402 2.113 0.644 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.458 1.127 -1.442 1.00 0.00 C ATOM 1044 CG LEU A 66 -0.289 0.427 -2.181 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.672 1.400 -2.837 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.444 -0.586 -1.314 1.00 0.00 C ATOM 0 H LEU A 66 -1.472 0.503 1.181 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.386 2.716 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.152 0.347 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.980 1.741 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.763 -0.134 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.466 0.846 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.135 2.004 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.106 2.051 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.251 -1.041 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.860 -0.084 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.252 -1.360 -0.991 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.532 4.015 -0.130 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.710 4.837 0.112 1.00 0.00 C ATOM 1060 C GLU A 67 -4.195 5.360 -1.248 1.00 0.00 C ATOM 1061 O GLU A 67 -3.440 6.043 -1.963 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.303 6.002 1.036 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.370 7.058 1.367 1.00 0.00 C ATOM 1064 CD GLU A 67 -5.499 6.566 2.249 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -5.252 6.219 3.424 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -6.663 6.610 1.816 1.00 0.00 O ATOM 0 H GLU A 67 -1.747 4.533 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.511 4.274 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.949 5.577 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.456 6.513 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.886 7.902 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.793 7.432 0.434 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.394 4.987 -1.635 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.961 5.420 -2.911 1.00 0.00 C ATOM 1075 C TYR A 68 -7.337 6.037 -2.696 1.00 0.00 C ATOM 1076 O TYR A 68 -7.906 5.958 -1.616 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.192 4.256 -3.869 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.035 3.394 -4.286 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.640 2.315 -3.515 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.399 3.602 -5.487 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.650 1.485 -3.926 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.409 2.758 -5.912 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.041 1.703 -5.120 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.079 0.852 -5.535 1.00 0.00 O ATOM 0 H TYR A 68 -6.005 4.381 -1.087 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.242 6.126 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.937 3.603 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.637 4.664 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.129 2.131 -2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.684 4.442 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.347 0.654 -3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.923 2.922 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.921 0.980 -6.494 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.872 6.599 -3.758 1.00 0.00 N ATOM 1095 CA ALA A 69 -9.234 7.131 -3.807 1.00 0.00 C ATOM 1096 C ALA A 69 -10.022 6.325 -4.853 1.00 0.00 C ATOM 1097 O ALA A 69 -11.112 6.707 -5.290 1.00 0.00 O ATOM 1098 CB ALA A 69 -9.186 8.600 -4.203 1.00 0.00 C ATOM 0 H ALA A 69 -7.367 6.706 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.717 7.048 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.199 9.000 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.603 9.156 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.721 8.697 -5.184 1.00 0.00 H new ATOM 1104 N SER A 70 -9.438 5.212 -5.225 1.00 0.00 N ATOM 1105 CA SER A 70 -9.876 4.354 -6.308 1.00 0.00 C ATOM 1106 C SER A 70 -11.255 3.578 -6.090 1.00 0.00 C ATOM 1107 O SER A 70 -11.747 3.436 -4.967 1.00 0.00 O ATOM 1108 CB SER A 70 -8.724 3.386 -6.601 1.00 0.00 C ATOM 1109 OG SER A 70 -7.542 4.082 -6.949 1.00 0.00 O ATOM 0 H SER A 70 -8.602 4.859 -4.759 1.00 0.00 H new ATOM 0 HA SER A 70 -10.109 4.998 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.538 2.764 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.007 2.717 -7.413 1.00 0.00 H new ATOM 0 HG SER A 70 -6.838 3.439 -7.175 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.819 3.070 -7.243 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.090 2.252 -7.445 1.00 0.00 C ATOM 1117 C PRO A 71 -13.551 1.139 -6.451 1.00 0.00 C ATOM 1118 O PRO A 71 -14.524 0.444 -6.804 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.875 1.651 -8.809 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.232 2.737 -9.549 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.241 3.325 -8.611 1.00 0.00 C ATOM 0 HA PRO A 71 -13.913 2.947 -7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.243 0.764 -8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.816 1.350 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.746 2.364 -10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.962 3.482 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.263 2.857 -8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.107 4.391 -8.793 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.924 0.977 -5.268 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.928 -0.251 -4.431 1.00 0.00 C ATOM 1131 C ALA A 72 -11.820 -1.097 -4.903 1.00 0.00 C ATOM 1132 O ALA A 72 -11.964 -2.162 -5.511 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.267 -1.026 -4.392 1.00 0.00 C ATOM 0 H ALA A 72 -12.376 1.728 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.795 0.051 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.161 -1.903 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.050 -0.380 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.535 -1.341 -5.401 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.669 -0.487 -4.709 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.396 -1.011 -5.069 1.00 0.00 C ATOM 1141 C HIS A 73 -8.888 -1.895 -3.956 1.00 0.00 C ATOM 1142 O HIS A 73 -8.238 -2.877 -4.228 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.390 0.138 -5.300 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.138 0.955 -4.055 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -7.180 0.640 -3.130 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -8.810 1.999 -3.542 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -7.310 1.468 -2.105 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -8.277 2.313 -2.312 1.00 0.00 N ATOM 0 H HIS A 73 -10.608 0.433 -4.273 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.498 -1.587 -5.989 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.446 -0.277 -5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.766 0.791 -6.088 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.487 -0.103 -3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.635 2.509 -4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.696 1.445 -1.217 1.00 0.00 H new ATOM 1156 N ALA A 74 -9.151 -1.516 -2.676 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.746 -2.366 -1.590 1.00 0.00 C ATOM 1158 C ALA A 74 -9.477 -3.692 -1.667 1.00 0.00 C ATOM 1159 O ALA A 74 -8.907 -4.735 -1.381 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.896 -1.668 -0.257 1.00 0.00 C ATOM 0 H ALA A 74 -9.625 -0.655 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.682 -2.586 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.581 -2.339 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.276 -0.772 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.939 -1.390 -0.107 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.726 -3.632 -2.094 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.497 -4.819 -2.417 1.00 0.00 C ATOM 1168 C VAL A 75 -10.786 -5.604 -3.531 1.00 0.00 C ATOM 1169 O VAL A 75 -10.373 -6.755 -3.340 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.932 -4.441 -2.914 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.702 -5.668 -3.378 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.713 -3.742 -1.826 1.00 0.00 C ATOM 0 H VAL A 75 -11.235 -2.758 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.581 -5.423 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.809 -3.765 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.694 -5.369 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.167 -6.144 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.798 -6.372 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.707 -3.490 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.804 -4.401 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.193 -2.830 -1.533 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.600 -4.939 -4.664 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.028 -5.550 -5.879 1.00 0.00 C ATOM 1184 C ASP A 76 -8.628 -6.127 -5.660 1.00 0.00 C ATOM 1185 O ASP A 76 -8.278 -7.177 -6.224 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.994 -4.538 -7.017 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.459 -5.123 -8.299 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.241 -5.728 -9.055 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.265 -4.958 -8.595 1.00 0.00 O ATOM 0 H ASP A 76 -10.840 -3.954 -4.777 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.681 -6.383 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.000 -4.156 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.377 -3.689 -6.724 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.844 -5.470 -4.839 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.494 -5.901 -4.548 1.00 0.00 C ATOM 1196 C ALA A 77 -6.482 -7.201 -3.759 1.00 0.00 C ATOM 1197 O ALA A 77 -5.610 -8.029 -3.947 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.723 -4.819 -3.812 1.00 0.00 C ATOM 0 H ALA A 77 -8.123 -4.619 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.998 -6.086 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.712 -5.169 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.677 -3.921 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.226 -4.589 -2.873 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.493 -7.415 -2.948 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.586 -8.583 -2.144 1.00 0.00 C ATOM 1206 C VAL A 78 -8.093 -9.721 -3.015 1.00 0.00 C ATOM 1207 O VAL A 78 -7.753 -10.889 -2.832 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.535 -8.288 -0.954 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.975 -9.535 -0.267 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -7.849 -7.365 0.037 1.00 0.00 C ATOM 0 H VAL A 78 -8.274 -6.769 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.618 -8.873 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.425 -7.803 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.638 -9.280 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.505 -10.172 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.104 -10.066 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.521 -7.162 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.942 -7.841 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.590 -6.428 -0.457 1.00 0.00 H new ATOM 1220 N LYS A 79 -8.862 -9.343 -3.996 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.418 -10.259 -4.951 1.00 0.00 C ATOM 1222 C LYS A 79 -8.337 -10.789 -5.914 1.00 0.00 C ATOM 1223 O LYS A 79 -8.281 -11.980 -6.203 1.00 0.00 O ATOM 1224 CB LYS A 79 -10.505 -9.539 -5.760 1.00 0.00 C ATOM 1225 CG LYS A 79 -11.725 -9.012 -4.977 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.822 -10.057 -4.706 1.00 0.00 C ATOM 1227 CE LYS A 79 -12.408 -11.193 -3.781 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.543 -12.094 -3.493 1.00 0.00 N ATOM 0 H LYS A 79 -9.125 -8.371 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.840 -11.107 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.043 -8.697 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.865 -10.223 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.381 -8.612 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.163 -8.182 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.686 -9.552 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.143 -10.481 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.598 -11.761 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.022 -10.782 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.229 -12.857 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.306 -11.556 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.895 -12.504 -4.382 1.00 0.00 H new ATOM 1242 N ASN A 80 -7.469 -9.904 -6.378 1.00 0.00 N ATOM 1243 CA ASN A 80 -6.527 -10.262 -7.450 1.00 0.00 C ATOM 1244 C ASN A 80 -5.058 -10.270 -7.053 1.00 0.00 C ATOM 1245 O ASN A 80 -4.277 -11.026 -7.624 1.00 0.00 O ATOM 1246 CB ASN A 80 -6.693 -9.314 -8.647 1.00 0.00 C ATOM 1247 CG ASN A 80 -8.032 -9.433 -9.343 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -8.195 -10.223 -10.280 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -8.985 -8.641 -8.922 1.00 0.00 N ATOM 0 H ASN A 80 -7.390 -8.944 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.788 -11.290 -7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.562 -8.287 -8.306 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.901 -9.513 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.901 -8.662 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.812 -8.003 -8.146 1.00 0.00 H new ATOM 1256 N ALA A 81 -4.667 -9.452 -6.107 1.00 0.00 N ATOM 1257 CA ALA A 81 -3.244 -9.278 -5.836 1.00 0.00 C ATOM 1258 C ALA A 81 -2.770 -10.034 -4.610 1.00 0.00 C ATOM 1259 O ALA A 81 -1.586 -10.028 -4.304 1.00 0.00 O ATOM 1260 CB ALA A 81 -2.910 -7.801 -5.710 1.00 0.00 C ATOM 0 H ALA A 81 -5.292 -8.902 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.711 -9.704 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.845 -7.685 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.161 -7.291 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.484 -7.367 -4.892 1.00 0.00 H new ATOM 1266 N ASP A 82 -3.659 -10.681 -3.918 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.253 -11.384 -2.720 1.00 0.00 C ATOM 1268 C ASP A 82 -2.561 -12.694 -3.041 1.00 0.00 C ATOM 1269 O ASP A 82 -3.132 -13.572 -3.695 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.418 -11.623 -1.756 1.00 0.00 C ATOM 1271 CG ASP A 82 -3.982 -12.400 -0.519 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.279 -11.838 0.328 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.321 -13.595 -0.393 1.00 0.00 O ATOM 0 H ASP A 82 -4.651 -10.742 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.538 -10.731 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.841 -10.665 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.208 -12.171 -2.270 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.317 -12.783 -2.655 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.588 -14.026 -2.725 1.00 0.00 C ATOM 1280 C GLY A 83 0.127 -14.275 -4.028 1.00 0.00 C ATOM 1281 O GLY A 83 0.309 -15.436 -4.435 1.00 0.00 O ATOM 0 H GLY A 83 -0.779 -12.000 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.144 -14.046 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.282 -14.847 -2.547 1.00 0.00 H new ATOM 1285 N TYR A 84 0.573 -13.234 -4.684 1.00 0.00 N ATOM 1286 CA TYR A 84 1.307 -13.454 -5.911 1.00 0.00 C ATOM 1287 C TYR A 84 2.790 -13.305 -5.646 1.00 0.00 C ATOM 1288 O TYR A 84 3.221 -12.381 -4.937 1.00 0.00 O ATOM 1289 CB TYR A 84 0.810 -12.605 -7.100 1.00 0.00 C ATOM 1290 CG TYR A 84 1.208 -11.143 -7.144 1.00 0.00 C ATOM 1291 CD1 TYR A 84 0.459 -10.173 -6.514 1.00 0.00 C ATOM 1292 CD2 TYR A 84 2.318 -10.740 -7.872 1.00 0.00 C ATOM 1293 CE1 TYR A 84 0.806 -8.840 -6.597 1.00 0.00 C ATOM 1294 CE2 TYR A 84 2.664 -9.416 -7.969 1.00 0.00 C ATOM 1295 CZ TYR A 84 1.907 -8.470 -7.329 1.00 0.00 C ATOM 1296 OH TYR A 84 2.245 -7.141 -7.440 1.00 0.00 O ATOM 0 H TYR A 84 0.450 -12.260 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 84 1.115 -14.477 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.164 -13.075 -8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.279 -12.656 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.414 -10.461 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.922 -11.483 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.215 -8.092 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.528 -9.121 -8.546 1.00 0.00 H new ATOM 0 HH TYR A 84 3.050 -7.053 -7.991 1.00 0.00 H new ATOM 1306 N LYS A 85 3.555 -14.218 -6.174 1.00 0.00 N ATOM 1307 CA LYS A 85 4.953 -14.322 -5.896 1.00 0.00 C ATOM 1308 C LYS A 85 5.800 -13.887 -7.065 1.00 0.00 C ATOM 1309 O LYS A 85 5.584 -14.309 -8.193 1.00 0.00 O ATOM 1310 CB LYS A 85 5.336 -15.757 -5.440 1.00 0.00 C ATOM 1311 CG LYS A 85 4.826 -16.923 -6.327 1.00 0.00 C ATOM 1312 CD LYS A 85 3.334 -17.287 -6.122 1.00 0.00 C ATOM 1313 CE LYS A 85 3.010 -17.636 -4.676 1.00 0.00 C ATOM 1314 NZ LYS A 85 1.592 -18.009 -4.498 1.00 0.00 N ATOM 0 H LYS A 85 3.213 -14.925 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 85 5.160 -13.638 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.423 -15.819 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.957 -15.906 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.981 -16.660 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.432 -17.806 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.713 -16.449 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.079 -18.132 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.645 -18.461 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.243 -16.784 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.481 -18.536 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.008 -17.149 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.287 -18.605 -5.294 1.00 0.00 H new ATOM 1328 N LEU A 86 6.732 -13.018 -6.791 1.00 0.00 N ATOM 1329 CA LEU A 86 7.679 -12.568 -7.795 1.00 0.00 C ATOM 1330 C LEU A 86 8.850 -13.527 -7.842 1.00 0.00 C ATOM 1331 O LEU A 86 9.010 -14.290 -8.797 1.00 0.00 O ATOM 1332 CB LEU A 86 8.213 -11.143 -7.526 1.00 0.00 C ATOM 1333 CG LEU A 86 7.218 -9.979 -7.547 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.968 -8.664 -7.395 1.00 0.00 C ATOM 1335 CD2 LEU A 86 6.393 -9.982 -8.829 1.00 0.00 C ATOM 0 H LEU A 86 6.864 -12.598 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 86 7.147 -12.544 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.698 -11.148 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.986 -10.933 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 86 6.527 -10.096 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.259 -7.837 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.509 -8.661 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.675 -8.551 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.696 -9.144 -8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.056 -9.888 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.836 -10.916 -8.901 1.00 0.00 H new ATOM 1347 N ASP A 87 9.625 -13.531 -6.778 1.00 0.00 N ATOM 1348 CA ASP A 87 10.827 -14.342 -6.677 1.00 0.00 C ATOM 1349 C ASP A 87 11.190 -14.498 -5.218 1.00 0.00 C ATOM 1350 O ASP A 87 10.750 -13.698 -4.394 1.00 0.00 O ATOM 1351 CB ASP A 87 12.003 -13.655 -7.399 1.00 0.00 C ATOM 1352 CG ASP A 87 12.471 -12.386 -6.696 1.00 0.00 C ATOM 1353 OD1 ASP A 87 11.775 -11.341 -6.790 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.544 -12.406 -6.053 1.00 0.00 O ATOM 0 H ASP A 87 9.439 -12.967 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 87 10.637 -15.312 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.837 -14.353 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.704 -13.410 -8.418 1.00 0.00 H new ATOM 1359 N LYS A 88 11.977 -15.525 -4.921 1.00 0.00 N ATOM 1360 CA LYS A 88 12.503 -15.855 -3.588 1.00 0.00 C ATOM 1361 C LYS A 88 11.443 -15.819 -2.457 1.00 0.00 C ATOM 1362 O LYS A 88 10.800 -16.827 -2.166 1.00 0.00 O ATOM 1363 CB LYS A 88 13.732 -14.996 -3.252 1.00 0.00 C ATOM 1364 CG LYS A 88 14.454 -15.405 -1.966 1.00 0.00 C ATOM 1365 CD LYS A 88 15.588 -14.448 -1.609 1.00 0.00 C ATOM 1366 CE LYS A 88 16.676 -14.397 -2.676 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.749 -13.444 -2.315 1.00 0.00 N ATOM 0 H LYS A 88 12.285 -16.187 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 88 12.815 -16.898 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.436 -15.049 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.420 -13.955 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.738 -15.439 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.854 -16.412 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.181 -13.447 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.030 -14.753 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.102 -15.391 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.237 -14.107 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.400 -13.333 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.330 -12.522 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.273 -13.806 -1.493 1.00 0.00 H new ATOM 1381 N GLN A 89 11.252 -14.658 -1.848 1.00 0.00 N ATOM 1382 CA GLN A 89 10.317 -14.516 -0.743 1.00 0.00 C ATOM 1383 C GLN A 89 9.254 -13.482 -1.059 1.00 0.00 C ATOM 1384 O GLN A 89 8.339 -13.260 -0.266 1.00 0.00 O ATOM 1385 CB GLN A 89 11.030 -14.086 0.547 1.00 0.00 C ATOM 1386 CG GLN A 89 11.750 -12.739 0.445 1.00 0.00 C ATOM 1387 CD GLN A 89 12.126 -12.161 1.796 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.205 -11.429 1.842 1.00 0.00 O flip ATOM 1389 NE2 GLN A 89 11.439 -12.381 2.798 1.00 0.00 N flip ATOM 0 H GLN A 89 11.735 -13.797 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 89 9.858 -15.494 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.299 -14.035 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.754 -14.853 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.652 -12.860 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.110 -12.031 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.601 -12.958 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.709 -11.986 3.699 1.00 0.00 H new ATOM 1398 N HIS A 90 9.363 -12.869 -2.212 1.00 0.00 N ATOM 1399 CA HIS A 90 8.521 -11.740 -2.552 1.00 0.00 C ATOM 1400 C HIS A 90 7.176 -12.204 -2.996 1.00 0.00 C ATOM 1401 O HIS A 90 6.978 -12.571 -4.145 1.00 0.00 O ATOM 1402 CB HIS A 90 9.138 -10.879 -3.640 1.00 0.00 C ATOM 1403 CG HIS A 90 10.537 -10.429 -3.354 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.548 -10.407 -4.290 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.080 -9.965 -2.213 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.641 -9.942 -3.711 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.418 -9.655 -2.438 1.00 0.00 N ATOM 0 H HIS A 90 10.030 -13.132 -2.937 1.00 0.00 H new ATOM 0 HA HIS A 90 8.423 -11.135 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.133 -11.438 -4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.510 -10.001 -3.791 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.467 -10.700 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.560 -9.851 -1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.590 -9.813 -4.210 1.00 0.00 H new ATOM 1415 N THR A 91 6.298 -12.274 -2.077 1.00 0.00 N ATOM 1416 CA THR A 91 4.958 -12.683 -2.326 1.00 0.00 C ATOM 1417 C THR A 91 4.040 -11.713 -1.643 1.00 0.00 C ATOM 1418 O THR A 91 3.931 -11.711 -0.433 1.00 0.00 O ATOM 1419 CB THR A 91 4.720 -14.097 -1.802 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.839 -14.913 -2.190 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.467 -14.662 -2.430 1.00 0.00 C ATOM 0 H THR A 91 6.486 -12.044 -1.101 1.00 0.00 H new ATOM 0 HA THR A 91 4.766 -12.692 -3.399 1.00 0.00 H new ATOM 0 HB THR A 91 4.610 -14.081 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.707 -15.827 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.296 -15.672 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.616 -14.032 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.584 -14.691 -3.513 1.00 0.00 H new ATOM 1429 N PHE A 92 3.369 -10.919 -2.397 1.00 0.00 N ATOM 1430 CA PHE A 92 2.599 -9.869 -1.818 1.00 0.00 C ATOM 1431 C PHE A 92 1.290 -10.396 -1.359 1.00 0.00 C ATOM 1432 O PHE A 92 0.434 -10.751 -2.158 1.00 0.00 O ATOM 1433 CB PHE A 92 2.392 -8.716 -2.788 1.00 0.00 C ATOM 1434 CG PHE A 92 3.665 -8.205 -3.372 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.495 -7.393 -2.635 1.00 0.00 C ATOM 1436 CD2 PHE A 92 4.038 -8.550 -4.651 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.673 -6.926 -3.165 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.212 -8.091 -5.187 1.00 0.00 C ATOM 1439 CZ PHE A 92 6.032 -7.277 -4.444 1.00 0.00 C ATOM 0 H PHE A 92 3.335 -10.973 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 92 3.154 -9.481 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.735 -9.041 -3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.884 -7.902 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.217 -7.119 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.397 -9.190 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.315 -6.285 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.493 -8.369 -6.192 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.958 -6.913 -4.865 1.00 0.00 H new ATOM 1449 N ARG A 93 1.178 -10.530 -0.085 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.044 -10.917 0.511 1.00 0.00 C ATOM 1451 C ARG A 93 -0.755 -9.660 0.895 1.00 0.00 C ATOM 1452 O ARG A 93 -0.217 -8.811 1.632 1.00 0.00 O ATOM 1453 CB ARG A 93 0.178 -11.914 1.648 1.00 0.00 C ATOM 1454 CG ARG A 93 1.212 -11.503 2.667 1.00 0.00 C ATOM 1455 CD ARG A 93 2.120 -12.671 2.979 1.00 0.00 C ATOM 1456 NE ARG A 93 3.056 -12.393 4.072 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.515 -13.296 4.945 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.113 -14.573 4.887 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.355 -12.905 5.883 1.00 0.00 N ATOM 0 H ARG A 93 1.939 -10.372 0.575 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.681 -11.469 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.771 -12.074 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.474 -12.871 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.798 -10.667 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.721 -11.159 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.512 -13.537 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.683 -12.935 2.084 1.00 0.00 H new ATOM 0 HE ARG A 93 3.384 -11.433 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.449 -14.867 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.471 -15.251 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.644 -11.928 5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.716 -13.579 6.558 1.00 0.00 H new ATOM 1473 N VAL A 94 -1.915 -9.523 0.357 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.634 -8.297 0.363 1.00 0.00 C ATOM 1475 C VAL A 94 -3.921 -8.431 1.127 1.00 0.00 C ATOM 1476 O VAL A 94 -4.821 -9.184 0.748 1.00 0.00 O ATOM 1477 CB VAL A 94 -2.939 -7.847 -1.094 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -3.769 -6.585 -1.119 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -1.649 -7.640 -1.878 1.00 0.00 C ATOM 0 H VAL A 94 -2.405 -10.283 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.014 -7.546 0.853 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.515 -8.642 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.964 -6.298 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.715 -6.761 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.228 -5.784 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.887 -7.326 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.047 -6.872 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.088 -8.574 -1.909 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.002 -7.724 2.193 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.169 -7.680 2.973 1.00 0.00 C ATOM 1491 C ASN A 95 -5.617 -6.242 3.056 1.00 0.00 C ATOM 1492 O ASN A 95 -4.829 -5.337 2.795 1.00 0.00 O ATOM 1493 CB ASN A 95 -4.894 -8.347 4.327 1.00 0.00 C ATOM 1494 CG ASN A 95 -5.664 -7.797 5.476 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -6.786 -8.227 5.766 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -5.064 -6.863 6.132 1.00 0.00 N ATOM 0 H ASN A 95 -3.239 -7.149 2.550 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.992 -8.242 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.113 -9.411 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.830 -8.258 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.516 -6.436 6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.137 -6.551 5.843 1.00 0.00 H new