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 47 LYS NZ :NH3+ -132:sc= 0.91 (180deg=0.504) USER MOD Set 1.2: A 49 THR OG1 : rot 80:sc= 0.878 USER MOD Set 2.1: A 36 ASN : amide:sc= 1.08 K(o=2.3,f=-8.5!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.78 K(o=-2,f=-1.1) USER MOD Set 3.2: A 90 HIS : no HE2:sc= -1.23 K(o=-2,f=-2.6) USER MOD Single : A 16 SER OG : rot 180:sc= -0.515 USER MOD Single : A 22 ASN : amide:sc= -0.745 K(o=-0.75,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -0.0703 (180deg=-0.467) USER MOD Single : A 39 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 43 SER OG : rot -75:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.049) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 29:sc= 0.963 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -2.66! (180deg=-4.26!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 178:sc= 0.00555 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.82! C(o=-1.8!,f=-6.8!) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0618) USER MOD Single : A 80 ASN : amide:sc= 1.12 K(o=1.1,f=-0.047) USER MOD Single : A 84 TYR OH : rot 45:sc= 1.25 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= -0.0122 (180deg=-0.154) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0697 K(o=-0.07,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.038 0.604 3.530 1.00 0.00 N ATOM 210 CA ASP A 15 -10.574 -0.146 2.377 1.00 0.00 C ATOM 211 C ASP A 15 -9.899 0.800 1.428 1.00 0.00 C ATOM 212 O ASP A 15 -9.872 0.607 0.230 1.00 0.00 O ATOM 213 CB ASP A 15 -11.763 -0.872 1.698 1.00 0.00 C ATOM 214 CG ASP A 15 -12.896 0.050 1.263 1.00 0.00 C ATOM 215 OD1 ASP A 15 -13.559 0.657 2.146 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.176 0.160 0.047 1.00 0.00 O ATOM 0 HA ASP A 15 -9.859 -0.908 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.394 -1.411 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.161 -1.616 2.388 1.00 0.00 H new ATOM 221 N SER A 16 -9.310 1.804 1.996 1.00 0.00 N ATOM 222 CA SER A 16 -8.623 2.811 1.238 1.00 0.00 C ATOM 223 C SER A 16 -7.136 2.502 1.180 1.00 0.00 C ATOM 224 O SER A 16 -6.401 3.098 0.386 1.00 0.00 O ATOM 225 CB SER A 16 -8.831 4.163 1.908 1.00 0.00 C ATOM 226 OG SER A 16 -10.203 4.372 2.222 1.00 0.00 O ATOM 0 H SER A 16 -9.290 1.953 3.005 1.00 0.00 H new ATOM 0 HA SER A 16 -9.020 2.830 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.234 4.217 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.480 4.957 1.249 1.00 0.00 H new ATOM 0 HG SER A 16 -10.311 5.246 2.653 1.00 0.00 H new ATOM 232 N VAL A 17 -6.705 1.554 2.003 1.00 0.00 N ATOM 233 CA VAL A 17 -5.302 1.272 2.160 1.00 0.00 C ATOM 234 C VAL A 17 -4.981 -0.187 1.827 1.00 0.00 C ATOM 235 O VAL A 17 -5.680 -1.105 2.260 1.00 0.00 O ATOM 236 CB VAL A 17 -4.803 1.621 3.598 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.306 1.394 3.745 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.148 3.055 3.964 1.00 0.00 C ATOM 0 H VAL A 17 -7.319 0.970 2.571 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.771 1.908 1.452 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.318 0.949 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.997 1.648 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.076 0.347 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.771 2.024 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.789 3.270 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.674 3.735 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.229 3.190 3.928 1.00 0.00 H new ATOM 248 N ILE A 18 -3.948 -0.363 1.030 1.00 0.00 N ATOM 249 CA ILE A 18 -3.443 -1.664 0.641 1.00 0.00 C ATOM 250 C ILE A 18 -2.456 -2.112 1.683 1.00 0.00 C ATOM 251 O ILE A 18 -1.717 -1.295 2.242 1.00 0.00 O ATOM 252 CB ILE A 18 -2.677 -1.611 -0.715 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.481 -0.888 -1.771 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.290 -3.014 -1.212 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.811 -1.529 -2.097 1.00 0.00 C ATOM 0 H ILE A 18 -3.424 0.412 0.625 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.294 -2.339 0.544 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.758 -1.054 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.657 0.135 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.888 -0.828 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.758 -2.930 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.646 -3.496 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.191 -3.611 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.319 -0.944 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.646 -2.542 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.428 -1.564 -1.199 1.00 0.00 H new ATOM 267 N VAL A 19 -2.441 -3.375 1.918 1.00 0.00 N ATOM 268 CA VAL A 19 -1.556 -4.002 2.860 1.00 0.00 C ATOM 269 C VAL A 19 -0.944 -5.225 2.207 1.00 0.00 C ATOM 270 O VAL A 19 -1.657 -6.128 1.760 1.00 0.00 O ATOM 271 CB VAL A 19 -2.292 -4.434 4.153 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.358 -5.172 5.100 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.916 -3.245 4.853 1.00 0.00 C ATOM 0 H VAL A 19 -3.063 -4.032 1.448 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.790 -3.279 3.141 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.090 -5.116 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.904 -5.462 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.971 -6.064 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.529 -4.520 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.425 -3.581 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.138 -2.530 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.635 -2.767 4.188 1.00 0.00 H new ATOM 283 N VAL A 20 0.349 -5.234 2.132 1.00 0.00 N ATOM 284 CA VAL A 20 1.095 -6.334 1.542 1.00 0.00 C ATOM 285 C VAL A 20 2.003 -6.964 2.575 1.00 0.00 C ATOM 286 O VAL A 20 2.325 -6.348 3.605 1.00 0.00 O ATOM 287 CB VAL A 20 1.940 -5.904 0.314 1.00 0.00 C ATOM 288 CG1 VAL A 20 1.061 -5.424 -0.830 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.918 -4.832 0.698 1.00 0.00 C ATOM 0 H VAL A 20 0.936 -4.476 2.479 1.00 0.00 H new ATOM 0 HA VAL A 20 0.356 -7.056 1.195 1.00 0.00 H new ATOM 0 HB VAL A 20 2.489 -6.781 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.688 -5.131 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.392 -6.228 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.472 -4.568 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.502 -4.543 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.377 -3.965 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.586 -5.209 1.472 1.00 0.00 H new ATOM 299 N ASP A 21 2.366 -8.184 2.327 1.00 0.00 N ATOM 300 CA ASP A 21 3.254 -8.937 3.191 1.00 0.00 C ATOM 301 C ASP A 21 4.548 -9.217 2.424 1.00 0.00 C ATOM 302 O ASP A 21 4.483 -9.569 1.246 1.00 0.00 O ATOM 303 CB ASP A 21 2.565 -10.255 3.591 1.00 0.00 C ATOM 304 CG ASP A 21 3.372 -11.117 4.537 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.192 -11.908 4.085 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.172 -11.020 5.764 1.00 0.00 O ATOM 0 H ASP A 21 2.054 -8.704 1.507 1.00 0.00 H new ATOM 0 HA ASP A 21 3.485 -8.376 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.607 -10.024 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.351 -10.828 2.689 1.00 0.00 H new ATOM 311 N ASN A 22 5.688 -8.981 3.085 1.00 0.00 N ATOM 312 CA ASN A 22 7.076 -9.175 2.569 1.00 0.00 C ATOM 313 C ASN A 22 7.355 -8.721 1.147 1.00 0.00 C ATOM 314 O ASN A 22 7.149 -9.451 0.167 1.00 0.00 O ATOM 315 CB ASN A 22 7.769 -10.527 2.932 1.00 0.00 C ATOM 316 CG ASN A 22 7.030 -11.802 2.548 1.00 0.00 C ATOM 317 OD1 ASN A 22 7.174 -12.825 3.204 1.00 0.00 O ATOM 318 ND2 ASN A 22 6.266 -11.771 1.509 1.00 0.00 N ATOM 0 H ASN A 22 5.682 -8.632 4.043 1.00 0.00 H new ATOM 0 HA ASN A 22 7.590 -8.432 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.749 -10.545 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.938 -10.544 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.766 -12.611 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.162 -10.906 0.978 1.00 0.00 H new ATOM 325 N VAL A 23 7.858 -7.522 1.055 1.00 0.00 N ATOM 326 CA VAL A 23 8.223 -6.907 -0.179 1.00 0.00 C ATOM 327 C VAL A 23 9.706 -7.234 -0.454 1.00 0.00 C ATOM 328 O VAL A 23 10.371 -7.778 0.434 1.00 0.00 O ATOM 329 CB VAL A 23 8.004 -5.356 -0.088 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.556 -5.028 0.234 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.913 -4.740 0.957 1.00 0.00 C ATOM 0 H VAL A 23 8.029 -6.930 1.868 1.00 0.00 H new ATOM 0 HA VAL A 23 7.605 -7.285 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 23 8.251 -4.933 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.432 -3.947 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.910 -5.426 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.286 -5.475 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.741 -3.664 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.699 -5.181 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.953 -4.931 0.693 1.00 0.00 H new ATOM 341 N PRO A 24 10.204 -6.984 -1.694 1.00 0.00 N ATOM 342 CA PRO A 24 11.627 -7.173 -2.070 1.00 0.00 C ATOM 343 C PRO A 24 12.615 -6.667 -0.988 1.00 0.00 C ATOM 344 O PRO A 24 12.410 -5.599 -0.384 1.00 0.00 O ATOM 345 CB PRO A 24 11.750 -6.341 -3.340 1.00 0.00 C ATOM 346 CG PRO A 24 10.394 -6.425 -3.971 1.00 0.00 C ATOM 347 CD PRO A 24 9.400 -6.567 -2.847 1.00 0.00 C ATOM 0 HA PRO A 24 11.881 -8.226 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.021 -5.309 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.521 -6.736 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.186 -5.532 -4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.335 -7.276 -4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.885 -5.626 -2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.635 -7.306 -3.085 1.00 0.00 H new ATOM 355 N GLN A 25 13.684 -7.447 -0.763 1.00 0.00 N ATOM 356 CA GLN A 25 14.611 -7.185 0.313 1.00 0.00 C ATOM 357 C GLN A 25 15.445 -5.945 -0.012 1.00 0.00 C ATOM 358 O GLN A 25 15.657 -5.628 -1.192 1.00 0.00 O ATOM 359 CB GLN A 25 15.512 -8.427 0.610 1.00 0.00 C ATOM 360 CG GLN A 25 16.834 -8.530 -0.168 1.00 0.00 C ATOM 361 CD GLN A 25 16.702 -8.753 -1.673 1.00 0.00 C ATOM 362 OE1 GLN A 25 17.556 -8.309 -2.445 1.00 0.00 O ATOM 363 NE2 GLN A 25 15.702 -9.485 -2.099 1.00 0.00 N ATOM 0 H GLN A 25 13.916 -8.266 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 25 14.042 -6.989 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.744 -8.431 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.929 -9.325 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.403 -7.615 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 17.418 -9.349 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.011 -9.839 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.615 -9.701 -3.092 1.00 0.00 H new ATOM 372 N VAL A 26 15.927 -5.247 0.988 1.00 0.00 N ATOM 373 CA VAL A 26 16.652 -4.044 0.696 1.00 0.00 C ATOM 374 C VAL A 26 18.067 -4.143 1.209 1.00 0.00 C ATOM 375 O VAL A 26 18.319 -4.542 2.347 1.00 0.00 O ATOM 376 CB VAL A 26 15.978 -2.753 1.287 1.00 0.00 C ATOM 377 CG1 VAL A 26 16.635 -1.498 0.757 1.00 0.00 C ATOM 378 CG2 VAL A 26 14.472 -2.734 1.051 1.00 0.00 C ATOM 0 H VAL A 26 15.834 -5.483 1.976 1.00 0.00 H new ATOM 0 HA VAL A 26 16.647 -3.946 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 26 16.131 -2.778 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.146 -0.623 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.690 -1.495 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.544 -1.470 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.049 -1.824 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.271 -2.762 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.018 -3.603 1.528 1.00 0.00 H new ATOM 388 N GLY A 27 18.960 -3.781 0.375 1.00 0.00 N ATOM 389 CA GLY A 27 20.334 -3.708 0.697 1.00 0.00 C ATOM 390 C GLY A 27 20.833 -2.419 0.148 1.00 0.00 C ATOM 391 O GLY A 27 20.159 -1.391 0.322 1.00 0.00 O ATOM 0 H GLY A 27 18.750 -3.517 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.482 -3.752 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.878 -4.549 0.266 1.00 0.00 H new ATOM 395 N PRO A 28 21.943 -2.403 -0.559 1.00 0.00 N ATOM 396 CA PRO A 28 22.414 -1.180 -1.156 1.00 0.00 C ATOM 397 C PRO A 28 21.543 -0.767 -2.352 1.00 0.00 C ATOM 398 O PRO A 28 21.328 -1.545 -3.289 1.00 0.00 O ATOM 399 CB PRO A 28 23.833 -1.521 -1.605 1.00 0.00 C ATOM 400 CG PRO A 28 23.853 -2.999 -1.769 1.00 0.00 C ATOM 401 CD PRO A 28 22.839 -3.549 -0.814 1.00 0.00 C ATOM 0 HA PRO A 28 22.377 -0.337 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.080 -1.019 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.567 -1.198 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.611 -3.278 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.844 -3.399 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.299 -4.392 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.305 -3.905 0.105 1.00 0.00 H new ATOM 409 N ASP A 29 21.044 0.463 -2.281 1.00 0.00 N ATOM 410 CA ASP A 29 20.221 1.140 -3.325 1.00 0.00 C ATOM 411 C ASP A 29 18.970 0.378 -3.729 1.00 0.00 C ATOM 412 O ASP A 29 18.341 0.707 -4.741 1.00 0.00 O ATOM 413 CB ASP A 29 21.040 1.507 -4.574 1.00 0.00 C ATOM 414 CG ASP A 29 22.234 2.374 -4.280 1.00 0.00 C ATOM 415 OD1 ASP A 29 22.067 3.562 -3.907 1.00 0.00 O ATOM 416 OD2 ASP A 29 23.375 1.885 -4.398 1.00 0.00 O ATOM 0 H ASP A 29 21.199 1.056 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 29 19.887 2.058 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.378 0.591 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.393 2.023 -5.283 1.00 0.00 H new ATOM 421 N ARG A 30 18.542 -0.558 -2.917 1.00 0.00 N ATOM 422 CA ARG A 30 17.383 -1.342 -3.265 1.00 0.00 C ATOM 423 C ARG A 30 16.138 -0.568 -2.985 1.00 0.00 C ATOM 424 O ARG A 30 15.122 -0.759 -3.641 1.00 0.00 O ATOM 425 CB ARG A 30 17.367 -2.671 -2.526 1.00 0.00 C ATOM 426 CG ARG A 30 18.371 -3.681 -3.033 1.00 0.00 C ATOM 427 CD ARG A 30 17.976 -4.192 -4.403 1.00 0.00 C ATOM 428 NE ARG A 30 18.977 -5.097 -4.960 1.00 0.00 N ATOM 429 CZ ARG A 30 18.883 -5.718 -6.135 1.00 0.00 C ATOM 430 NH1 ARG A 30 17.783 -5.582 -6.882 1.00 0.00 N ATOM 431 NH2 ARG A 30 19.880 -6.490 -6.551 1.00 0.00 N ATOM 0 H ARG A 30 18.972 -0.793 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 30 17.431 -1.562 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.558 -2.487 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.368 -3.102 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.360 -3.225 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.439 -4.515 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.019 -4.709 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.835 -3.348 -5.078 1.00 0.00 H new ATOM 0 HE ARG A 30 19.816 -5.268 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.012 -5.001 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.715 -6.059 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.712 -6.605 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.814 -6.968 -7.450 1.00 0.00 H new ATOM 445 N LEU A 31 16.237 0.357 -2.048 1.00 0.00 N ATOM 446 CA LEU A 31 15.094 1.147 -1.654 1.00 0.00 C ATOM 447 C LEU A 31 14.799 2.160 -2.749 1.00 0.00 C ATOM 448 O LEU A 31 13.637 2.458 -3.038 1.00 0.00 O ATOM 449 CB LEU A 31 15.379 1.844 -0.308 1.00 0.00 C ATOM 450 CG LEU A 31 14.173 2.223 0.582 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.302 3.320 -0.004 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.339 1.004 0.859 1.00 0.00 C ATOM 0 H LEU A 31 17.099 0.577 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 31 14.220 0.509 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.032 1.193 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.940 2.755 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 31 14.588 2.621 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.477 3.532 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.898 4.222 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.905 2.995 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.491 1.278 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.975 0.590 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.945 0.258 1.373 1.00 0.00 H new ATOM 464 N GLU A 32 15.870 2.624 -3.387 1.00 0.00 N ATOM 465 CA GLU A 32 15.814 3.615 -4.445 1.00 0.00 C ATOM 466 C GLU A 32 14.845 3.190 -5.549 1.00 0.00 C ATOM 467 O GLU A 32 13.856 3.881 -5.820 1.00 0.00 O ATOM 468 CB GLU A 32 17.219 3.848 -5.023 1.00 0.00 C ATOM 469 CG GLU A 32 17.271 4.845 -6.172 1.00 0.00 C ATOM 470 CD GLU A 32 18.648 4.989 -6.761 1.00 0.00 C ATOM 471 OE1 GLU A 32 19.003 4.217 -7.677 1.00 0.00 O ATOM 472 OE2 GLU A 32 19.402 5.878 -6.332 1.00 0.00 O ATOM 0 H GLU A 32 16.818 2.312 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 32 15.446 4.549 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.873 4.198 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.619 2.894 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.579 4.529 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.929 5.818 -5.818 1.00 0.00 H new ATOM 479 N LYS A 33 15.100 2.040 -6.135 1.00 0.00 N ATOM 480 CA LYS A 33 14.263 1.540 -7.207 1.00 0.00 C ATOM 481 C LYS A 33 13.006 0.850 -6.702 1.00 0.00 C ATOM 482 O LYS A 33 12.051 0.656 -7.467 1.00 0.00 O ATOM 483 CB LYS A 33 15.052 0.653 -8.160 1.00 0.00 C ATOM 484 CG LYS A 33 15.828 -0.468 -7.499 1.00 0.00 C ATOM 485 CD LYS A 33 16.641 -1.211 -8.531 1.00 0.00 C ATOM 486 CE LYS A 33 17.615 -2.170 -7.894 1.00 0.00 C ATOM 487 NZ LYS A 33 18.441 -2.855 -8.904 1.00 0.00 N ATOM 0 H LYS A 33 15.881 1.432 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 33 13.924 2.411 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.362 0.219 -8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.750 1.277 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.485 -0.062 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.141 -1.153 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.972 -1.760 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.186 -0.496 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.260 -1.628 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.068 -2.909 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.099 -3.506 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.827 -3.392 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.981 -2.151 -9.446 1.00 0.00 H new ATOM 501 N LEU A 34 12.979 0.503 -5.411 1.00 0.00 N ATOM 502 CA LEU A 34 11.797 -0.110 -4.821 1.00 0.00 C ATOM 503 C LEU A 34 10.646 0.882 -4.891 1.00 0.00 C ATOM 504 O LEU A 34 9.514 0.518 -5.163 1.00 0.00 O ATOM 505 CB LEU A 34 12.046 -0.529 -3.363 1.00 0.00 C ATOM 506 CG LEU A 34 10.899 -1.276 -2.661 1.00 0.00 C ATOM 507 CD1 LEU A 34 10.590 -2.587 -3.368 1.00 0.00 C ATOM 508 CD2 LEU A 34 11.238 -1.529 -1.206 1.00 0.00 C ATOM 0 H LEU A 34 13.757 0.637 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 34 11.553 -1.012 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.933 -1.162 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.275 0.366 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 34 10.011 -0.646 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.776 -3.096 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.297 -2.385 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.476 -3.222 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.414 -2.058 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.143 -2.133 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.401 -0.578 -0.700 1.00 0.00 H new ATOM 520 N LYS A 35 10.983 2.149 -4.709 1.00 0.00 N ATOM 521 CA LYS A 35 10.025 3.247 -4.787 1.00 0.00 C ATOM 522 C LYS A 35 9.309 3.267 -6.130 1.00 0.00 C ATOM 523 O LYS A 35 8.105 3.536 -6.205 1.00 0.00 O ATOM 524 CB LYS A 35 10.737 4.595 -4.616 1.00 0.00 C ATOM 525 CG LYS A 35 11.291 4.901 -3.237 1.00 0.00 C ATOM 526 CD LYS A 35 10.177 5.128 -2.236 1.00 0.00 C ATOM 527 CE LYS A 35 10.694 5.758 -0.954 1.00 0.00 C ATOM 528 NZ LYS A 35 11.251 7.111 -1.182 1.00 0.00 N ATOM 0 H LYS A 35 11.935 2.449 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 35 9.300 3.092 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.559 4.639 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.037 5.386 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.920 4.076 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.926 5.786 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.417 5.772 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.695 4.178 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.883 5.818 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.463 5.118 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.277 7.632 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.215 7.030 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.653 7.623 -1.861 1.00 0.00 H new ATOM 542 N ASN A 36 10.036 2.939 -7.165 1.00 0.00 N ATOM 543 CA ASN A 36 9.530 3.063 -8.507 1.00 0.00 C ATOM 544 C ASN A 36 8.727 1.853 -8.874 1.00 0.00 C ATOM 545 O ASN A 36 7.636 1.966 -9.444 1.00 0.00 O ATOM 546 CB ASN A 36 10.684 3.276 -9.504 1.00 0.00 C ATOM 547 CG ASN A 36 10.218 3.443 -10.948 1.00 0.00 C ATOM 548 OD1 ASN A 36 9.132 3.950 -11.213 1.00 0.00 O ATOM 549 ND2 ASN A 36 11.034 3.018 -11.887 1.00 0.00 N ATOM 0 H ASN A 36 10.989 2.581 -7.103 1.00 0.00 H new ATOM 0 HA ASN A 36 8.878 3.935 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.250 4.159 -9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.365 2.427 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.771 3.105 -12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.930 2.601 -11.634 1.00 0.00 H new ATOM 556 N VAL A 37 9.217 0.701 -8.480 1.00 0.00 N ATOM 557 CA VAL A 37 8.592 -0.540 -8.855 1.00 0.00 C ATOM 558 C VAL A 37 7.194 -0.673 -8.232 1.00 0.00 C ATOM 559 O VAL A 37 6.282 -1.218 -8.861 1.00 0.00 O ATOM 560 CB VAL A 37 9.490 -1.782 -8.548 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.636 -2.049 -7.065 1.00 0.00 C ATOM 562 CG2 VAL A 37 8.992 -3.008 -9.274 1.00 0.00 C ATOM 0 H VAL A 37 10.049 0.600 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 37 8.468 -0.516 -9.938 1.00 0.00 H new ATOM 0 HB VAL A 37 10.486 -1.543 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.270 -2.923 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.090 -1.183 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.654 -2.233 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.636 -3.856 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.973 -3.229 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.007 -2.826 -10.349 1.00 0.00 H new ATOM 572 N ILE A 38 7.008 -0.101 -7.037 1.00 0.00 N ATOM 573 CA ILE A 38 5.715 -0.169 -6.368 1.00 0.00 C ATOM 574 C ILE A 38 4.692 0.633 -7.142 1.00 0.00 C ATOM 575 O ILE A 38 3.674 0.103 -7.557 1.00 0.00 O ATOM 576 CB ILE A 38 5.768 0.373 -4.914 1.00 0.00 C ATOM 577 CG1 ILE A 38 6.819 -0.358 -4.068 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.395 0.309 -4.249 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.715 -1.866 -4.108 1.00 0.00 C ATOM 0 H ILE A 38 7.729 0.406 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 38 5.436 -1.222 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 38 6.068 1.419 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.811 -0.065 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.729 -0.027 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.465 0.695 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.687 0.911 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.052 -0.725 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.495 -2.301 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.738 -2.173 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.837 -2.212 -5.134 1.00 0.00 H new ATOM 591 N HIS A 39 5.004 1.892 -7.386 1.00 0.00 N ATOM 592 CA HIS A 39 4.083 2.805 -8.054 1.00 0.00 C ATOM 593 C HIS A 39 3.712 2.258 -9.445 1.00 0.00 C ATOM 594 O HIS A 39 2.570 2.353 -9.878 1.00 0.00 O ATOM 595 CB HIS A 39 4.723 4.211 -8.164 1.00 0.00 C ATOM 596 CG HIS A 39 3.755 5.331 -8.484 1.00 0.00 C ATOM 597 ND1 HIS A 39 3.590 6.448 -7.691 1.00 0.00 N ATOM 598 CD2 HIS A 39 2.926 5.508 -9.538 1.00 0.00 C ATOM 599 CE1 HIS A 39 2.691 7.240 -8.264 1.00 0.00 C ATOM 600 NE2 HIS A 39 2.255 6.719 -9.394 1.00 0.00 N ATOM 0 H HIS A 39 5.897 2.313 -7.130 1.00 0.00 H new ATOM 0 HA HIS A 39 3.169 2.888 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.223 4.441 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.492 4.184 -8.936 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.804 4.819 -10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.361 8.185 -7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.567 7.121 -10.031 1.00 0.00 H new ATOM 608 N LYS A 40 4.669 1.632 -10.098 1.00 0.00 N ATOM 609 CA LYS A 40 4.444 1.102 -11.429 1.00 0.00 C ATOM 610 C LYS A 40 3.599 -0.153 -11.418 1.00 0.00 C ATOM 611 O LYS A 40 2.650 -0.251 -12.175 1.00 0.00 O ATOM 612 CB LYS A 40 5.749 0.868 -12.159 1.00 0.00 C ATOM 613 CG LYS A 40 6.540 2.134 -12.372 1.00 0.00 C ATOM 614 CD LYS A 40 5.779 3.137 -13.239 1.00 0.00 C ATOM 615 CE LYS A 40 6.636 4.344 -13.619 1.00 0.00 C ATOM 616 NZ LYS A 40 7.077 5.132 -12.443 1.00 0.00 N ATOM 0 H LYS A 40 5.608 1.477 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 40 3.881 1.861 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.354 0.159 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.541 0.409 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.769 2.587 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.492 1.893 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.432 2.641 -14.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.893 3.478 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.512 4.002 -14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.069 4.989 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.506 6.023 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.257 5.341 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.777 4.586 -11.902 1.00 0.00 H new ATOM 630 N ILE A 41 3.913 -1.095 -10.558 1.00 0.00 N ATOM 631 CA ILE A 41 3.149 -2.334 -10.506 1.00 0.00 C ATOM 632 C ILE A 41 1.758 -2.098 -9.946 1.00 0.00 C ATOM 633 O ILE A 41 0.776 -2.601 -10.476 1.00 0.00 O ATOM 634 CB ILE A 41 3.872 -3.445 -9.672 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.173 -3.895 -10.358 1.00 0.00 C ATOM 636 CG2 ILE A 41 2.952 -4.649 -9.409 1.00 0.00 C ATOM 637 CD1 ILE A 41 4.972 -4.537 -11.717 1.00 0.00 C ATOM 0 H ILE A 41 4.681 -1.035 -9.890 1.00 0.00 H new ATOM 0 HA ILE A 41 3.066 -2.686 -11.534 1.00 0.00 H new ATOM 0 HB ILE A 41 4.128 -3.008 -8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.828 -3.031 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.687 -4.602 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.490 -5.398 -8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.073 -4.321 -8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.640 -5.083 -10.359 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.939 -4.824 -12.130 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.345 -5.422 -11.612 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.488 -3.827 -12.387 1.00 0.00 H new ATOM 649 N PHE A 42 1.664 -1.256 -8.955 1.00 0.00 N ATOM 650 CA PHE A 42 0.419 -1.116 -8.224 1.00 0.00 C ATOM 651 C PHE A 42 -0.569 -0.192 -8.932 1.00 0.00 C ATOM 652 O PHE A 42 -1.732 -0.102 -8.541 1.00 0.00 O ATOM 653 CB PHE A 42 0.674 -0.632 -6.797 1.00 0.00 C ATOM 654 CG PHE A 42 1.419 -1.590 -5.860 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.434 -2.438 -6.290 1.00 0.00 C ATOM 656 CD2 PHE A 42 1.109 -1.587 -4.538 1.00 0.00 C ATOM 657 CE1 PHE A 42 3.099 -3.258 -5.395 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.757 -2.380 -3.637 1.00 0.00 C ATOM 659 CZ PHE A 42 2.757 -3.228 -4.058 1.00 0.00 C ATOM 0 H PHE A 42 2.423 -0.657 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.035 -2.106 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.240 0.298 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.288 -0.394 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.707 -2.457 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.323 -0.935 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.881 -3.918 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.486 -2.343 -2.592 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.268 -3.863 -3.350 1.00 0.00 H new ATOM 669 N SER A 43 -0.118 0.461 -9.988 1.00 0.00 N ATOM 670 CA SER A 43 -0.951 1.372 -10.735 1.00 0.00 C ATOM 671 C SER A 43 -2.084 0.641 -11.468 1.00 0.00 C ATOM 672 O SER A 43 -3.110 1.234 -11.784 1.00 0.00 O ATOM 673 CB SER A 43 -0.110 2.180 -11.703 1.00 0.00 C ATOM 674 OG SER A 43 0.577 1.351 -12.626 1.00 0.00 O ATOM 0 H SER A 43 0.833 0.372 -10.347 1.00 0.00 H new ATOM 0 HA SER A 43 -1.419 2.054 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.749 2.876 -12.246 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.611 2.778 -11.146 1.00 0.00 H new ATOM 0 HG SER A 43 1.330 0.914 -12.176 1.00 0.00 H new ATOM 680 N LYS A 44 -1.897 -0.655 -11.720 1.00 0.00 N ATOM 681 CA LYS A 44 -2.940 -1.481 -12.359 1.00 0.00 C ATOM 682 C LYS A 44 -4.202 -1.548 -11.514 1.00 0.00 C ATOM 683 O LYS A 44 -5.312 -1.734 -12.024 1.00 0.00 O ATOM 684 CB LYS A 44 -2.458 -2.909 -12.648 1.00 0.00 C ATOM 685 CG LYS A 44 -1.869 -3.669 -11.473 1.00 0.00 C ATOM 686 CD LYS A 44 -1.548 -5.134 -11.823 1.00 0.00 C ATOM 687 CE LYS A 44 -0.537 -5.269 -12.962 1.00 0.00 C ATOM 688 NZ LYS A 44 -0.215 -6.689 -13.253 1.00 0.00 N ATOM 0 H LYS A 44 -1.040 -1.160 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.165 -0.990 -13.306 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.299 -3.482 -13.039 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.708 -2.864 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.959 -3.170 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.570 -3.643 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.158 -5.636 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.470 -5.646 -12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.936 -4.796 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.377 -4.736 -12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.474 -6.736 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.190 -7.134 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.083 -7.193 -13.527 1.00 0.00 H new ATOM 702 N PHE A 45 -4.023 -1.421 -10.237 1.00 0.00 N ATOM 703 CA PHE A 45 -5.133 -1.472 -9.306 1.00 0.00 C ATOM 704 C PHE A 45 -5.788 -0.101 -9.156 1.00 0.00 C ATOM 705 O PHE A 45 -6.915 0.009 -8.675 1.00 0.00 O ATOM 706 CB PHE A 45 -4.665 -2.008 -7.956 1.00 0.00 C ATOM 707 CG PHE A 45 -3.886 -3.289 -8.079 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.460 -4.418 -8.648 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.579 -3.360 -7.634 1.00 0.00 C ATOM 710 CE1 PHE A 45 -3.740 -5.586 -8.774 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.854 -4.526 -7.753 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.435 -5.640 -8.326 1.00 0.00 C ATOM 0 H PHE A 45 -3.112 -1.279 -9.800 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.885 -2.153 -9.704 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.046 -1.257 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.531 -2.174 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.482 -4.380 -8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.120 -2.490 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.195 -6.457 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.834 -4.568 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.868 -6.554 -8.424 1.00 0.00 H new ATOM 722 N GLY A 46 -5.094 0.930 -9.598 1.00 0.00 N ATOM 723 CA GLY A 46 -5.612 2.269 -9.538 1.00 0.00 C ATOM 724 C GLY A 46 -4.511 3.288 -9.407 1.00 0.00 C ATOM 725 O GLY A 46 -3.341 2.921 -9.284 1.00 0.00 O ATOM 0 H GLY A 46 -4.162 0.857 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.193 2.475 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.293 2.358 -8.691 1.00 0.00 H new ATOM 729 N LYS A 47 -4.877 4.552 -9.422 1.00 0.00 N ATOM 730 CA LYS A 47 -3.915 5.626 -9.309 1.00 0.00 C ATOM 731 C LYS A 47 -3.425 5.741 -7.872 1.00 0.00 C ATOM 732 O LYS A 47 -4.221 5.988 -6.952 1.00 0.00 O ATOM 733 CB LYS A 47 -4.549 6.958 -9.701 1.00 0.00 C ATOM 734 CG LYS A 47 -3.547 8.105 -9.773 1.00 0.00 C ATOM 735 CD LYS A 47 -4.224 9.464 -9.783 1.00 0.00 C ATOM 736 CE LYS A 47 -4.781 9.830 -8.400 1.00 0.00 C ATOM 737 NZ LYS A 47 -3.697 10.031 -7.390 1.00 0.00 N ATOM 0 H LYS A 47 -5.844 4.862 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.083 5.401 -9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.036 6.849 -10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.326 7.209 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.869 8.046 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.940 7.998 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.510 10.224 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.034 9.462 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.375 10.740 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.451 9.041 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.928 9.504 -6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.795 9.686 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.613 11.043 -7.167 1.00 0.00 H new ATOM 751 N ILE A 48 -2.136 5.683 -7.693 1.00 0.00 N ATOM 752 CA ILE A 48 -1.547 5.751 -6.389 1.00 0.00 C ATOM 753 C ILE A 48 -1.682 7.202 -5.920 1.00 0.00 C ATOM 754 O ILE A 48 -1.608 8.141 -6.728 1.00 0.00 O ATOM 755 CB ILE A 48 -0.035 5.374 -6.453 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.193 4.020 -7.172 1.00 0.00 C ATOM 757 CG2 ILE A 48 0.602 5.356 -5.060 1.00 0.00 C ATOM 758 CD1 ILE A 48 -0.462 2.825 -6.517 1.00 0.00 C ATOM 0 H ILE A 48 -1.462 5.587 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.042 5.057 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 48 0.455 6.151 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.177 4.103 -8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.266 3.837 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.655 5.089 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.513 6.343 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.091 4.623 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.243 1.928 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.075 2.707 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.541 2.977 -6.478 1.00 0.00 H new ATOM 770 N THR A 49 -1.980 7.384 -4.664 1.00 0.00 N ATOM 771 CA THR A 49 -2.205 8.701 -4.143 1.00 0.00 C ATOM 772 C THR A 49 -1.318 8.963 -2.926 1.00 0.00 C ATOM 773 O THR A 49 -0.457 9.829 -2.953 1.00 0.00 O ATOM 774 CB THR A 49 -3.698 8.865 -3.817 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.457 8.588 -5.020 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.011 10.269 -3.328 1.00 0.00 C ATOM 0 H THR A 49 -2.073 6.633 -3.980 1.00 0.00 H new ATOM 0 HA THR A 49 -1.933 9.445 -4.892 1.00 0.00 H new ATOM 0 HB THR A 49 -3.965 8.172 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.537 7.619 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.075 10.348 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.437 10.476 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.746 10.991 -4.100 1.00 0.00 H new ATOM 784 N ASN A 50 -1.486 8.188 -1.897 1.00 0.00 N ATOM 785 CA ASN A 50 -0.665 8.330 -0.718 1.00 0.00 C ATOM 786 C ASN A 50 0.012 7.029 -0.474 1.00 0.00 C ATOM 787 O ASN A 50 -0.574 5.974 -0.696 1.00 0.00 O ATOM 788 CB ASN A 50 -1.454 8.799 0.534 1.00 0.00 C ATOM 789 CG ASN A 50 -1.954 10.236 0.445 1.00 0.00 C ATOM 790 OD1 ASN A 50 -1.227 11.179 0.784 1.00 0.00 O ATOM 791 ND2 ASN A 50 -3.201 10.414 0.067 1.00 0.00 N ATOM 0 H ASN A 50 -2.185 7.447 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 50 0.065 9.119 -0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.306 8.136 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.816 8.700 1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.599 11.353 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.771 9.613 -0.206 1.00 0.00 H new ATOM 798 N ASP A 51 1.230 7.079 -0.081 1.00 0.00 N ATOM 799 CA ASP A 51 2.003 5.880 0.106 1.00 0.00 C ATOM 800 C ASP A 51 2.731 5.927 1.407 1.00 0.00 C ATOM 801 O ASP A 51 3.230 6.975 1.819 1.00 0.00 O ATOM 802 CB ASP A 51 2.982 5.652 -1.061 1.00 0.00 C ATOM 803 CG ASP A 51 3.987 6.779 -1.254 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.613 7.855 -1.800 1.00 0.00 O ATOM 805 OD2 ASP A 51 5.164 6.619 -0.866 1.00 0.00 O ATOM 0 H ASP A 51 1.731 7.944 0.123 1.00 0.00 H new ATOM 0 HA ASP A 51 1.313 5.036 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.523 4.721 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.412 5.526 -1.981 1.00 0.00 H new ATOM 810 N PHE A 52 2.746 4.817 2.077 1.00 0.00 N ATOM 811 CA PHE A 52 3.403 4.699 3.350 1.00 0.00 C ATOM 812 C PHE A 52 4.217 3.429 3.357 1.00 0.00 C ATOM 813 O PHE A 52 3.673 2.333 3.511 1.00 0.00 O ATOM 814 CB PHE A 52 2.382 4.665 4.509 1.00 0.00 C ATOM 815 CG PHE A 52 1.457 5.854 4.583 1.00 0.00 C ATOM 816 CD1 PHE A 52 1.863 7.031 5.190 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.173 5.784 4.055 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.012 8.117 5.265 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.682 6.868 4.127 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.262 8.035 4.733 1.00 0.00 C ATOM 0 H PHE A 52 2.300 3.957 1.757 1.00 0.00 H new ATOM 0 HA PHE A 52 4.045 5.567 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.780 3.761 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.927 4.589 5.450 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.856 7.101 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.161 4.872 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.342 9.030 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.676 6.802 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.928 8.883 4.792 1.00 0.00 H new ATOM 830 N TYR A 53 5.492 3.548 3.114 1.00 0.00 N ATOM 831 CA TYR A 53 6.335 2.393 3.144 1.00 0.00 C ATOM 832 C TYR A 53 7.187 2.471 4.402 1.00 0.00 C ATOM 833 O TYR A 53 8.130 3.259 4.460 1.00 0.00 O ATOM 834 CB TYR A 53 7.293 2.338 1.928 1.00 0.00 C ATOM 835 CG TYR A 53 6.704 2.618 0.545 1.00 0.00 C ATOM 836 CD1 TYR A 53 5.385 2.322 0.215 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.505 3.176 -0.439 1.00 0.00 C ATOM 838 CE1 TYR A 53 4.892 2.582 -1.052 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.020 3.436 -1.699 1.00 0.00 C ATOM 840 CZ TYR A 53 5.720 3.143 -2.001 1.00 0.00 C ATOM 841 OH TYR A 53 5.243 3.411 -3.264 1.00 0.00 O ATOM 0 H TYR A 53 5.964 4.425 2.895 1.00 0.00 H new ATOM 0 HA TYR A 53 5.701 1.507 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.096 3.054 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.748 1.348 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.736 1.883 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.534 3.412 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.866 2.347 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.665 3.871 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 53 5.957 3.806 -3.806 1.00 0.00 H new ATOM 851 N PRO A 54 6.885 1.686 5.427 1.00 0.00 N ATOM 852 CA PRO A 54 7.685 1.665 6.628 1.00 0.00 C ATOM 853 C PRO A 54 8.885 0.758 6.431 1.00 0.00 C ATOM 854 O PRO A 54 9.023 0.139 5.375 1.00 0.00 O ATOM 855 CB PRO A 54 6.752 1.103 7.691 1.00 0.00 C ATOM 856 CG PRO A 54 5.745 0.286 6.945 1.00 0.00 C ATOM 857 CD PRO A 54 5.741 0.765 5.509 1.00 0.00 C ATOM 0 HA PRO A 54 8.073 2.647 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.298 0.492 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.270 1.903 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.998 -0.773 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.756 0.398 7.389 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.850 -0.066 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.807 1.269 5.261 1.00 0.00 H new ATOM 865 N GLU A 55 9.770 0.721 7.379 1.00 0.00 N ATOM 866 CA GLU A 55 10.928 -0.145 7.325 1.00 0.00 C ATOM 867 C GLU A 55 11.472 -0.320 8.687 1.00 0.00 C ATOM 868 O GLU A 55 10.961 0.270 9.641 1.00 0.00 O ATOM 869 CB GLU A 55 11.982 0.390 6.371 1.00 0.00 C ATOM 870 CG GLU A 55 12.594 1.696 6.751 1.00 0.00 C ATOM 871 CD GLU A 55 13.328 2.312 5.598 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.442 1.655 4.525 1.00 0.00 O ATOM 873 OE2 GLU A 55 13.754 3.465 5.725 1.00 0.00 O ATOM 0 H GLU A 55 9.717 1.292 8.223 1.00 0.00 H new ATOM 0 HA GLU A 55 10.622 -1.117 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.777 -0.351 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.533 0.494 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.816 2.378 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.281 1.549 7.585 1.00 0.00 H new ATOM 936 N THR A 60 15.668 -3.690 5.195 1.00 0.00 N ATOM 937 CA THR A 60 14.600 -4.537 4.701 1.00 0.00 C ATOM 938 C THR A 60 13.278 -4.454 5.482 1.00 0.00 C ATOM 939 O THR A 60 13.158 -4.885 6.643 1.00 0.00 O ATOM 940 CB THR A 60 15.103 -5.982 4.615 1.00 0.00 C ATOM 941 OG1 THR A 60 16.260 -6.000 3.766 1.00 0.00 O ATOM 942 CG2 THR A 60 14.048 -6.892 4.037 1.00 0.00 C ATOM 0 HA THR A 60 14.344 -4.157 3.712 1.00 0.00 H new ATOM 0 HB THR A 60 15.344 -6.339 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.721 -5.137 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.433 -7.911 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.161 -6.869 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.786 -6.555 3.034 1.00 0.00 H new ATOM 950 N LYS A 61 12.325 -3.830 4.829 1.00 0.00 N ATOM 951 CA LYS A 61 10.996 -3.685 5.310 1.00 0.00 C ATOM 952 C LYS A 61 10.210 -4.940 4.937 1.00 0.00 C ATOM 953 O LYS A 61 10.561 -5.626 3.979 1.00 0.00 O ATOM 954 CB LYS A 61 10.361 -2.436 4.677 1.00 0.00 C ATOM 955 CG LYS A 61 10.318 -2.443 3.151 1.00 0.00 C ATOM 956 CD LYS A 61 9.515 -1.273 2.569 1.00 0.00 C ATOM 957 CE LYS A 61 10.339 -0.003 2.236 1.00 0.00 C ATOM 958 NZ LYS A 61 10.948 0.682 3.398 1.00 0.00 N ATOM 0 H LYS A 61 12.473 -3.399 3.917 1.00 0.00 H new ATOM 0 HA LYS A 61 10.988 -3.564 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.344 -2.332 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.915 -1.557 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.336 -2.406 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.881 -3.382 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.018 -1.612 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.733 -1.003 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.132 -0.277 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.691 0.704 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.146 1.673 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.291 0.650 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.836 0.205 3.656 1.00 0.00 H new ATOM 972 N GLY A 62 9.162 -5.227 5.655 1.00 0.00 N ATOM 973 CA GLY A 62 8.437 -6.448 5.383 1.00 0.00 C ATOM 974 C GLY A 62 6.988 -6.223 5.060 1.00 0.00 C ATOM 975 O GLY A 62 6.226 -7.168 4.978 1.00 0.00 O ATOM 0 H GLY A 62 8.793 -4.654 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.911 -6.965 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.510 -7.106 6.249 1.00 0.00 H new ATOM 979 N TYR A 63 6.600 -4.976 4.891 1.00 0.00 N ATOM 980 CA TYR A 63 5.218 -4.627 4.608 1.00 0.00 C ATOM 981 C TYR A 63 5.146 -3.167 4.232 1.00 0.00 C ATOM 982 O TYR A 63 6.022 -2.392 4.641 1.00 0.00 O ATOM 983 CB TYR A 63 4.295 -4.950 5.820 1.00 0.00 C ATOM 984 CG TYR A 63 4.654 -4.252 7.137 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.739 -4.676 7.900 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.907 -3.189 7.614 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.065 -4.064 9.089 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.228 -2.571 8.811 1.00 0.00 C ATOM 989 CZ TYR A 63 5.308 -3.013 9.541 1.00 0.00 C ATOM 990 OH TYR A 63 5.629 -2.398 10.739 1.00 0.00 O ATOM 0 H TYR A 63 7.230 -4.176 4.945 1.00 0.00 H new ATOM 0 HA TYR A 63 4.859 -5.227 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.272 -4.681 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.309 -6.027 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.338 -5.504 7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.060 -2.836 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.912 -4.409 9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.633 -1.745 9.171 1.00 0.00 H new ATOM 0 HH TYR A 63 4.995 -1.671 10.914 1.00 0.00 H new ATOM 1000 N ILE A 64 4.161 -2.793 3.421 1.00 0.00 N ATOM 1001 CA ILE A 64 3.951 -1.397 3.036 1.00 0.00 C ATOM 1002 C ILE A 64 2.456 -1.137 2.978 1.00 0.00 C ATOM 1003 O ILE A 64 1.660 -2.096 2.981 1.00 0.00 O ATOM 1004 CB ILE A 64 4.597 -0.992 1.652 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.866 -1.628 0.470 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.072 -1.361 1.599 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.412 -1.242 -0.890 1.00 0.00 C ATOM 0 H ILE A 64 3.489 -3.443 3.013 1.00 0.00 H new ATOM 0 HA ILE A 64 4.451 -0.788 3.789 1.00 0.00 H new ATOM 0 HB ILE A 64 4.499 0.091 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.913 -2.712 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.814 -1.348 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.486 -1.069 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.606 -0.842 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.183 -2.437 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.834 -1.739 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.340 -0.162 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.456 -1.547 -0.963 1.00 0.00 H new ATOM 1019 N PHE A 65 2.085 0.122 2.922 1.00 0.00 N ATOM 1020 CA PHE A 65 0.703 0.537 2.881 1.00 0.00 C ATOM 1021 C PHE A 65 0.523 1.546 1.767 1.00 0.00 C ATOM 1022 O PHE A 65 1.402 2.387 1.520 1.00 0.00 O ATOM 1023 CB PHE A 65 0.290 1.184 4.211 1.00 0.00 C ATOM 1024 CG PHE A 65 0.473 0.318 5.421 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.496 -0.587 5.791 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.614 0.423 6.193 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.336 -1.378 6.912 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.782 -0.361 7.312 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.805 -1.264 7.673 1.00 0.00 C ATOM 0 H PHE A 65 2.747 0.898 2.903 1.00 0.00 H new ATOM 0 HA PHE A 65 0.079 -0.340 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.867 2.099 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.759 1.475 4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.393 -0.680 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.383 1.128 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.104 -2.084 7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.679 -0.269 7.907 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.935 -1.880 8.550 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.580 1.461 1.087 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.880 2.365 0.004 1.00 0.00 C ATOM 1041 C LEU A 66 -2.271 2.888 0.148 1.00 0.00 C ATOM 1042 O LEU A 66 -3.160 2.133 0.420 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.806 1.662 -1.333 1.00 0.00 C ATOM 1044 CG LEU A 66 0.533 1.119 -1.786 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.729 -0.299 -1.336 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.701 1.336 -3.284 1.00 0.00 C ATOM 0 H LEU A 66 -1.303 0.763 1.263 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.147 3.171 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.511 0.831 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.157 2.358 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 66 1.338 1.674 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.700 -0.658 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.688 -0.344 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.058 -0.926 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.666 0.943 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.096 0.818 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.653 2.402 -3.505 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.460 4.152 -0.064 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.767 4.741 0.028 1.00 0.00 C ATOM 1060 C GLU A 67 -4.126 5.408 -1.300 1.00 0.00 C ATOM 1061 O GLU A 67 -3.279 6.067 -1.943 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.821 5.734 1.190 1.00 0.00 C ATOM 1063 CG GLU A 67 -5.174 6.389 1.398 1.00 0.00 C ATOM 1064 CD GLU A 67 -5.171 7.362 2.538 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -4.845 8.544 2.319 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -5.516 6.967 3.676 1.00 0.00 O ATOM 0 H GLU A 67 -1.717 4.808 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.504 3.963 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.538 5.217 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.077 6.513 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.468 6.906 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.922 5.619 1.584 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.338 5.214 -1.727 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.810 5.754 -2.982 1.00 0.00 C ATOM 1075 C TYR A 68 -6.733 6.960 -2.760 1.00 0.00 C ATOM 1076 O TYR A 68 -7.020 7.325 -1.617 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.500 4.664 -3.794 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.575 3.565 -4.289 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -5.177 2.525 -3.467 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -5.125 3.560 -5.592 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -4.359 1.525 -3.943 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -4.301 2.565 -6.068 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.922 1.550 -5.241 1.00 0.00 C ATOM 1084 OH TYR A 68 -3.123 0.533 -5.717 1.00 0.00 O ATOM 0 H TYR A 68 -6.037 4.674 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.951 6.112 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.283 4.215 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.990 5.123 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.512 2.498 -2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.426 4.357 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.061 0.718 -3.290 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.957 2.589 -7.091 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.929 0.686 -6.665 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.188 7.571 -3.853 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.025 8.777 -3.800 1.00 0.00 C ATOM 1096 C ALA A 69 -9.501 8.423 -3.632 1.00 0.00 C ATOM 1097 O ALA A 69 -10.322 9.263 -3.258 1.00 0.00 O ATOM 1098 CB ALA A 69 -7.815 9.621 -5.052 1.00 0.00 C ATOM 0 H ALA A 69 -6.989 7.248 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.723 9.359 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.441 10.512 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.768 9.917 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.085 9.039 -5.933 1.00 0.00 H new ATOM 1104 N SER A 70 -9.813 7.196 -3.898 1.00 0.00 N ATOM 1105 CA SER A 70 -11.121 6.637 -3.736 1.00 0.00 C ATOM 1106 C SER A 70 -10.756 5.355 -3.085 1.00 0.00 C ATOM 1107 O SER A 70 -9.662 4.869 -3.414 1.00 0.00 O ATOM 1108 CB SER A 70 -11.734 6.411 -5.140 1.00 0.00 C ATOM 1109 OG SER A 70 -13.094 5.992 -5.090 1.00 0.00 O ATOM 0 H SER A 70 -9.133 6.523 -4.251 1.00 0.00 H new ATOM 0 HA SER A 70 -11.850 7.228 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.665 7.335 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.147 5.661 -5.671 1.00 0.00 H new ATOM 0 HG SER A 70 -13.431 5.866 -6.001 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.515 4.756 -2.135 1.00 0.00 N ATOM 1116 CA PRO A 71 -10.932 3.613 -1.493 1.00 0.00 C ATOM 1117 C PRO A 71 -10.861 2.459 -2.476 1.00 0.00 C ATOM 1118 O PRO A 71 -9.799 1.853 -2.571 1.00 0.00 O ATOM 1119 CB PRO A 71 -11.915 3.310 -0.348 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.860 4.482 -0.294 1.00 0.00 C ATOM 1121 CD PRO A 71 -12.840 5.114 -1.652 1.00 0.00 C ATOM 0 HA PRO A 71 -9.915 3.777 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.455 2.381 -0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.387 3.190 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.867 4.156 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.549 5.195 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.628 4.723 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.977 6.194 -1.601 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.020 2.088 -3.106 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.304 1.565 -4.507 1.00 0.00 C ATOM 1131 C ALA A 72 -11.213 0.841 -5.290 1.00 0.00 C ATOM 1132 O ALA A 72 -11.420 0.450 -6.434 1.00 0.00 O ATOM 1133 CB ALA A 72 -12.854 2.651 -5.340 1.00 0.00 C ATOM 0 H ALA A 72 -12.896 2.153 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.008 0.759 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.056 2.274 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.780 3.017 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.133 3.466 -5.398 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.155 0.634 -4.713 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.006 0.145 -5.377 1.00 0.00 C ATOM 1141 C HIS A 73 -8.483 -1.022 -4.661 1.00 0.00 C ATOM 1142 O HIS A 73 -8.043 -1.998 -5.265 1.00 0.00 O ATOM 1143 CB HIS A 73 -7.977 1.284 -5.547 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.424 2.358 -6.500 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -8.337 2.258 -7.860 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -8.982 3.565 -6.251 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.828 3.378 -8.395 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -9.235 4.213 -7.456 1.00 0.00 N ATOM 0 H HIS A 73 -10.018 0.796 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.256 -0.195 -6.382 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.779 1.732 -4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.036 0.863 -5.901 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.961 1.464 -8.378 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.197 3.963 -5.270 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.885 3.575 -9.455 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.590 -0.949 -3.336 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.201 -2.029 -2.490 1.00 0.00 C ATOM 1158 C ALA A 74 -9.032 -3.235 -2.804 1.00 0.00 C ATOM 1159 O ALA A 74 -8.530 -4.326 -2.775 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.323 -1.661 -1.021 1.00 0.00 C ATOM 0 H ALA A 74 -8.950 -0.134 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.151 -2.254 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.018 -2.508 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.681 -0.807 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.358 -1.403 -0.795 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.288 -3.014 -3.212 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.187 -4.122 -3.517 1.00 0.00 C ATOM 1168 C VAL A 75 -10.711 -4.905 -4.761 1.00 0.00 C ATOM 1169 O VAL A 75 -10.791 -6.125 -4.794 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.669 -3.650 -3.667 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -12.847 -2.670 -4.826 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.623 -4.834 -3.789 1.00 0.00 C ATOM 0 H VAL A 75 -10.697 -2.088 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.157 -4.803 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.923 -3.112 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.893 -2.370 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.227 -1.790 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.549 -3.150 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.645 -4.469 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.359 -5.425 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.548 -5.455 -2.897 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.175 -4.210 -5.752 1.00 0.00 N ATOM 1183 CA ASP A 76 -9.657 -4.893 -6.937 1.00 0.00 C ATOM 1184 C ASP A 76 -8.288 -5.444 -6.662 1.00 0.00 C ATOM 1185 O ASP A 76 -7.913 -6.491 -7.188 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.634 -4.010 -8.191 1.00 0.00 C ATOM 1187 CG ASP A 76 -10.999 -3.826 -8.820 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -11.474 -4.750 -9.545 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -11.618 -2.757 -8.637 1.00 0.00 O ATOM 0 H ASP A 76 -10.086 -3.194 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.348 -5.708 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.227 -3.033 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.960 -4.451 -8.925 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.545 -4.748 -5.827 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.225 -5.189 -5.433 1.00 0.00 C ATOM 1196 C ALA A 77 -6.300 -6.508 -4.677 1.00 0.00 C ATOM 1197 O ALA A 77 -5.667 -7.468 -5.059 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.526 -4.132 -4.600 1.00 0.00 C ATOM 0 H ALA A 77 -7.837 -3.866 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.639 -5.347 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.536 -4.488 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.429 -3.215 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.110 -3.932 -3.702 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.126 -6.564 -3.645 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.263 -7.759 -2.819 1.00 0.00 C ATOM 1206 C VAL A 78 -7.805 -8.968 -3.606 1.00 0.00 C ATOM 1207 O VAL A 78 -7.507 -10.110 -3.288 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.152 -7.490 -1.579 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -7.503 -6.490 -0.635 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -9.547 -7.023 -1.980 1.00 0.00 C ATOM 0 H VAL A 78 -7.720 -5.787 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.257 -8.011 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.255 -8.437 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.154 -6.325 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.544 -6.881 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.345 -5.546 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.142 -6.844 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.470 -6.100 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.027 -7.790 -2.587 1.00 0.00 H new ATOM 1220 N LYS A 79 -8.569 -8.685 -4.636 1.00 0.00 N ATOM 1221 CA LYS A 79 -9.191 -9.670 -5.460 1.00 0.00 C ATOM 1222 C LYS A 79 -8.225 -10.230 -6.521 1.00 0.00 C ATOM 1223 O LYS A 79 -8.424 -11.329 -7.040 1.00 0.00 O ATOM 1224 CB LYS A 79 -10.336 -8.945 -6.118 1.00 0.00 C ATOM 1225 CG LYS A 79 -11.212 -9.726 -7.030 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.304 -8.810 -7.492 1.00 0.00 C ATOM 1227 CE LYS A 79 -13.255 -9.487 -8.414 1.00 0.00 C ATOM 1228 NZ LYS A 79 -12.636 -9.884 -9.699 1.00 0.00 N ATOM 0 H LYS A 79 -8.775 -7.729 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.514 -10.531 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.962 -8.522 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.924 -8.109 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.643 -10.104 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.629 -10.591 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.848 -8.431 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.864 -7.949 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.659 -10.373 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.095 -8.821 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.373 -10.225 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.156 -9.064 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.944 -10.642 -9.531 1.00 0.00 H new ATOM 1242 N ASN A 80 -7.181 -9.485 -6.840 1.00 0.00 N ATOM 1243 CA ASN A 80 -6.297 -9.896 -7.934 1.00 0.00 C ATOM 1244 C ASN A 80 -4.849 -10.054 -7.527 1.00 0.00 C ATOM 1245 O ASN A 80 -4.113 -10.789 -8.172 1.00 0.00 O ATOM 1246 CB ASN A 80 -6.371 -8.920 -9.122 1.00 0.00 C ATOM 1247 CG ASN A 80 -7.723 -8.881 -9.804 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -7.991 -9.646 -10.722 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -8.572 -7.986 -9.381 1.00 0.00 N ATOM 0 H ASN A 80 -6.923 -8.614 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.668 -10.877 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.123 -7.918 -8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.614 -9.198 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.491 -7.908 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.317 -7.364 -8.614 1.00 0.00 H new ATOM 1256 N ALA A 81 -4.434 -9.388 -6.474 1.00 0.00 N ATOM 1257 CA ALA A 81 -3.025 -9.362 -6.097 1.00 0.00 C ATOM 1258 C ALA A 81 -2.715 -10.214 -4.883 1.00 0.00 C ATOM 1259 O ALA A 81 -1.653 -10.063 -4.279 1.00 0.00 O ATOM 1260 CB ALA A 81 -2.584 -7.935 -5.837 1.00 0.00 C ATOM 0 H ALA A 81 -5.047 -8.854 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.473 -9.786 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.531 -7.925 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.724 -7.341 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.179 -7.512 -5.028 1.00 0.00 H new ATOM 1266 N ASP A 82 -3.580 -11.132 -4.542 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.310 -11.918 -3.359 1.00 0.00 C ATOM 1268 C ASP A 82 -2.422 -13.109 -3.603 1.00 0.00 C ATOM 1269 O ASP A 82 -2.713 -13.984 -4.438 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.553 -12.315 -2.576 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.174 -13.107 -1.334 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.454 -12.570 -0.470 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.558 -14.289 -1.215 1.00 0.00 O ATOM 0 H ASP A 82 -4.443 -11.352 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.749 -11.229 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.109 -11.422 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.212 -12.912 -3.207 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.330 -13.110 -2.888 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.390 -14.217 -2.896 1.00 0.00 C ATOM 1280 C GLY A 83 0.534 -14.218 -4.098 1.00 0.00 C ATOM 1281 O GLY A 83 0.537 -15.155 -4.880 1.00 0.00 O ATOM 0 H GLY A 83 -1.058 -12.341 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.210 -14.180 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.945 -15.155 -2.874 1.00 0.00 H new ATOM 1285 N TYR A 84 1.319 -13.177 -4.259 1.00 0.00 N ATOM 1286 CA TYR A 84 2.236 -13.114 -5.410 1.00 0.00 C ATOM 1287 C TYR A 84 3.649 -13.403 -5.090 1.00 0.00 C ATOM 1288 O TYR A 84 4.339 -12.590 -4.483 1.00 0.00 O ATOM 1289 CB TYR A 84 2.100 -11.838 -6.215 1.00 0.00 C ATOM 1290 CG TYR A 84 0.931 -11.918 -7.104 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.309 -11.959 -6.569 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.074 -12.030 -8.471 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -1.419 -12.093 -7.358 1.00 0.00 C ATOM 1294 CE2 TYR A 84 -0.024 -12.175 -9.281 1.00 0.00 C ATOM 1295 CZ TYR A 84 -1.272 -12.205 -8.714 1.00 0.00 C ATOM 1296 OH TYR A 84 -2.383 -12.363 -9.505 1.00 0.00 O ATOM 0 H TYR A 84 1.354 -12.373 -3.633 1.00 0.00 H new ATOM 0 HA TYR A 84 1.904 -13.936 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.997 -10.986 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.003 -11.673 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.426 -11.885 -5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.061 -12.003 -8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.403 -12.110 -6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.093 -12.264 -10.351 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.076 -11.729 -9.225 1.00 0.00 H new ATOM 1306 N LYS A 85 4.073 -14.580 -5.481 1.00 0.00 N ATOM 1307 CA LYS A 85 5.420 -15.001 -5.305 1.00 0.00 C ATOM 1308 C LYS A 85 6.283 -14.362 -6.367 1.00 0.00 C ATOM 1309 O LYS A 85 6.229 -14.753 -7.532 1.00 0.00 O ATOM 1310 CB LYS A 85 5.554 -16.524 -5.438 1.00 0.00 C ATOM 1311 CG LYS A 85 4.498 -17.339 -4.699 1.00 0.00 C ATOM 1312 CD LYS A 85 3.319 -17.757 -5.592 1.00 0.00 C ATOM 1313 CE LYS A 85 3.756 -18.642 -6.759 1.00 0.00 C ATOM 1314 NZ LYS A 85 4.456 -19.863 -6.299 1.00 0.00 N ATOM 0 H LYS A 85 3.477 -15.272 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 85 5.736 -14.702 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.515 -16.784 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.538 -16.819 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.964 -18.232 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.120 -16.755 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.583 -18.291 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.827 -16.865 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.882 -18.925 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.413 -18.074 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.584 -20.513 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.385 -19.605 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.890 -20.331 -5.562 1.00 0.00 H new ATOM 1328 N LEU A 86 7.007 -13.350 -5.996 1.00 0.00 N ATOM 1329 CA LEU A 86 7.967 -12.762 -6.917 1.00 0.00 C ATOM 1330 C LEU A 86 9.199 -13.608 -6.923 1.00 0.00 C ATOM 1331 O LEU A 86 9.774 -13.897 -7.978 1.00 0.00 O ATOM 1332 CB LEU A 86 8.367 -11.320 -6.572 1.00 0.00 C ATOM 1333 CG LEU A 86 7.323 -10.220 -6.734 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.992 -8.867 -6.542 1.00 0.00 C ATOM 1335 CD2 LEU A 86 6.646 -10.295 -8.099 1.00 0.00 C ATOM 0 H LEU A 86 6.963 -12.910 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 86 7.482 -12.726 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.704 -11.308 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.226 -11.057 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 86 6.548 -10.355 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.251 -8.075 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.428 -8.815 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.777 -8.740 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.907 -9.498 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.394 -10.181 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.152 -11.260 -8.207 1.00 0.00 H new ATOM 1347 N ASP A 87 9.587 -14.043 -5.751 1.00 0.00 N ATOM 1348 CA ASP A 87 10.768 -14.846 -5.601 1.00 0.00 C ATOM 1349 C ASP A 87 10.594 -15.693 -4.348 1.00 0.00 C ATOM 1350 O ASP A 87 9.513 -15.671 -3.754 1.00 0.00 O ATOM 1351 CB ASP A 87 12.033 -13.960 -5.527 1.00 0.00 C ATOM 1352 CG ASP A 87 13.293 -14.719 -5.912 1.00 0.00 C ATOM 1353 OD1 ASP A 87 13.887 -15.404 -5.050 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.680 -14.685 -7.094 1.00 0.00 O ATOM 0 H ASP A 87 9.094 -13.850 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 87 10.902 -15.496 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.912 -13.102 -6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.142 -13.570 -4.515 1.00 0.00 H new ATOM 1359 N LYS A 88 11.644 -16.381 -3.940 1.00 0.00 N ATOM 1360 CA LYS A 88 11.653 -17.335 -2.864 1.00 0.00 C ATOM 1361 C LYS A 88 10.989 -16.813 -1.579 1.00 0.00 C ATOM 1362 O LYS A 88 10.011 -17.397 -1.101 1.00 0.00 O ATOM 1363 CB LYS A 88 13.098 -17.789 -2.592 1.00 0.00 C ATOM 1364 CG LYS A 88 13.239 -19.057 -1.751 1.00 0.00 C ATOM 1365 CD LYS A 88 12.562 -20.269 -2.414 1.00 0.00 C ATOM 1366 CE LYS A 88 13.046 -20.512 -3.852 1.00 0.00 C ATOM 1367 NZ LYS A 88 14.507 -20.764 -3.944 1.00 0.00 N ATOM 0 H LYS A 88 12.559 -16.278 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 88 11.051 -18.186 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.596 -17.950 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.627 -16.979 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.296 -19.273 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.800 -18.890 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.756 -21.159 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.483 -20.118 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.510 -21.364 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.794 -19.646 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.770 -20.920 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.025 -19.942 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.750 -21.607 -3.385 1.00 0.00 H new ATOM 1381 N GLN A 89 11.486 -15.711 -1.038 1.00 0.00 N ATOM 1382 CA GLN A 89 10.921 -15.197 0.211 1.00 0.00 C ATOM 1383 C GLN A 89 9.861 -14.127 -0.033 1.00 0.00 C ATOM 1384 O GLN A 89 9.214 -13.672 0.903 1.00 0.00 O ATOM 1385 CB GLN A 89 11.992 -14.622 1.161 1.00 0.00 C ATOM 1386 CG GLN A 89 12.682 -13.353 0.669 1.00 0.00 C ATOM 1387 CD GLN A 89 13.374 -12.589 1.793 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.947 -12.647 2.945 1.00 0.00 O ATOM 1389 NE2 GLN A 89 14.401 -11.833 1.474 1.00 0.00 N ATOM 0 H GLN A 89 12.256 -15.166 -1.426 1.00 0.00 H new ATOM 0 HA GLN A 89 10.460 -16.062 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.526 -14.413 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.750 -15.386 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.416 -13.615 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.946 -12.705 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.734 -11.805 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.865 -11.275 2.190 1.00 0.00 H new ATOM 1398 N HIS A 90 9.658 -13.743 -1.270 1.00 0.00 N ATOM 1399 CA HIS A 90 8.778 -12.614 -1.538 1.00 0.00 C ATOM 1400 C HIS A 90 7.482 -13.052 -2.136 1.00 0.00 C ATOM 1401 O HIS A 90 7.414 -13.405 -3.305 1.00 0.00 O ATOM 1402 CB HIS A 90 9.439 -11.566 -2.432 1.00 0.00 C ATOM 1403 CG HIS A 90 10.742 -11.070 -1.905 1.00 0.00 C ATOM 1404 ND1 HIS A 90 10.885 -10.408 -0.712 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.986 -11.213 -2.405 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.175 -10.179 -0.519 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.902 -10.647 -1.524 1.00 0.00 N ATOM 0 H HIS A 90 10.075 -14.178 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 90 8.574 -12.153 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.596 -11.992 -3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.760 -10.722 -2.552 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.129 -10.139 -0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.232 -11.691 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.582 -9.676 0.346 1.00 0.00 H new ATOM 1415 N THR A 91 6.487 -13.096 -1.325 1.00 0.00 N ATOM 1416 CA THR A 91 5.155 -13.424 -1.750 1.00 0.00 C ATOM 1417 C THR A 91 4.170 -12.421 -1.145 1.00 0.00 C ATOM 1418 O THR A 91 4.036 -12.367 0.067 1.00 0.00 O ATOM 1419 CB THR A 91 4.798 -14.860 -1.349 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.820 -15.746 -1.860 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.465 -15.238 -1.951 1.00 0.00 C ATOM 0 H THR A 91 6.567 -12.903 -0.327 1.00 0.00 H new ATOM 0 HA THR A 91 5.097 -13.364 -2.837 1.00 0.00 H new ATOM 0 HB THR A 91 4.737 -14.939 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.607 -16.669 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.213 -16.259 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.695 -14.558 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.524 -15.170 -3.037 1.00 0.00 H new ATOM 1429 N PHE A 92 3.464 -11.653 -1.968 1.00 0.00 N ATOM 1430 CA PHE A 92 2.629 -10.603 -1.423 1.00 0.00 C ATOM 1431 C PHE A 92 1.307 -11.145 -0.973 1.00 0.00 C ATOM 1432 O PHE A 92 0.460 -11.433 -1.789 1.00 0.00 O ATOM 1433 CB PHE A 92 2.375 -9.487 -2.439 1.00 0.00 C ATOM 1434 CG PHE A 92 3.600 -8.816 -2.960 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.362 -8.004 -2.145 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.986 -8.994 -4.270 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.490 -7.381 -2.635 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.105 -8.377 -4.762 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.863 -7.567 -3.947 1.00 0.00 C ATOM 0 H PHE A 92 3.455 -11.737 -2.985 1.00 0.00 H new ATOM 0 HA PHE A 92 3.172 -10.191 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.821 -9.902 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.736 -8.735 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.072 -7.855 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.399 -9.628 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.081 -6.747 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.394 -8.526 -5.792 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.746 -7.080 -4.335 1.00 0.00 H new ATOM 1449 N ARG A 93 1.154 -11.336 0.312 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.142 -11.715 0.851 1.00 0.00 C ATOM 1451 C ARG A 93 -0.861 -10.426 1.091 1.00 0.00 C ATOM 1452 O ARG A 93 -0.270 -9.495 1.659 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.075 -12.519 2.182 1.00 0.00 C ATOM 1454 CG ARG A 93 0.634 -13.877 2.131 1.00 0.00 C ATOM 1455 CD ARG A 93 2.143 -13.736 2.135 1.00 0.00 C ATOM 1456 NE ARG A 93 2.826 -15.028 2.063 1.00 0.00 N ATOM 1457 CZ ARG A 93 4.070 -15.265 2.503 1.00 0.00 C ATOM 1458 NH1 ARG A 93 4.740 -14.324 3.165 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.624 -16.469 2.315 1.00 0.00 N ATOM 0 H ARG A 93 1.897 -11.239 1.004 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.639 -12.379 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.426 -11.902 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.094 -12.680 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.325 -14.479 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.323 -14.414 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.449 -13.119 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.454 -13.214 3.040 1.00 0.00 H new ATOM 0 HE ARG A 93 2.317 -15.808 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.307 -13.417 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.686 -14.510 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.100 -17.203 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.570 -16.653 2.648 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.067 -10.317 0.648 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.767 -9.064 0.778 1.00 0.00 C ATOM 1475 C VAL A 94 -4.016 -9.195 1.651 1.00 0.00 C ATOM 1476 O VAL A 94 -4.616 -10.273 1.736 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.137 -8.484 -0.612 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -1.922 -8.271 -1.491 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.161 -9.319 -1.306 1.00 0.00 C ATOM 0 H VAL A 94 -2.593 -11.065 0.196 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.088 -8.371 1.274 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.576 -7.503 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.235 -7.864 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.240 -7.573 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.415 -9.223 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.393 -8.879 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.772 -10.327 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.067 -9.361 -0.701 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.364 -8.126 2.344 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.616 -8.080 3.094 1.00 0.00 C ATOM 1491 C ASN A 95 -5.984 -6.627 3.325 1.00 0.00 C ATOM 1492 O ASN A 95 -5.349 -5.731 2.752 1.00 0.00 O ATOM 1493 CB ASN A 95 -5.569 -8.867 4.454 1.00 0.00 C ATOM 1494 CG ASN A 95 -4.978 -8.109 5.648 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -5.452 -8.254 6.772 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.935 -7.376 5.444 1.00 0.00 N ATOM 0 H ASN A 95 -3.802 -7.277 2.406 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.378 -8.583 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.584 -9.173 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.989 -9.778 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.485 -6.901 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.561 -7.272 4.501 1.00 0.00 H new