USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 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= 0.656 K(o=-2.9,f=-4.1) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -3.53! C(o=-2.9!,f=-5.1!) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 179:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 80 ASN : amide:sc= 1.71 K(o=3,f=-10!) USER MOD Set 3.1: A 39 HIS : no HE2:sc= 0.847 K(o=1.5,f=-3!) USER MOD Set 3.2: A 53 TYR OH : rot -92:sc= 0.636 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.871! K(o=-0.87!,f=-0.35) 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=-0.018) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 42:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.741 USER MOD Single : A 50 ASN : amide:sc= 1.21 K(o=1.2,f=-0.54) USER MOD Single : A 60 THR OG1 : rot 31:sc= -0.781 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.775 (180deg=-1.16) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 178:sc= -2.42! USER MOD Single : A 70 SER OG : rot 170:sc= -1.42 USER MOD Single : A 73 HIS : no HE2:sc= -9! C(o=-9!,f=-14!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00857) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.0218 (180deg=-0.171) USER MOD Single : A 89 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.9) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0562 X(o=-0.056,f=0) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.338 -0.047 1.520 1.00 0.00 N ATOM 210 CA ASP A 15 -11.392 0.405 0.153 1.00 0.00 C ATOM 211 C ASP A 15 -10.319 1.398 -0.211 1.00 0.00 C ATOM 212 O ASP A 15 -10.214 1.757 -1.385 1.00 0.00 O ATOM 213 CB ASP A 15 -12.774 1.017 -0.145 1.00 0.00 C ATOM 214 CG ASP A 15 -13.030 2.329 0.588 1.00 0.00 C ATOM 215 OD1 ASP A 15 -13.115 2.328 1.828 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.158 3.386 -0.070 1.00 0.00 O ATOM 0 HA ASP A 15 -11.216 -0.480 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.864 1.186 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.547 0.300 0.130 1.00 0.00 H new ATOM 221 N SER A 16 -9.525 1.840 0.737 1.00 0.00 N ATOM 222 CA SER A 16 -8.569 2.907 0.412 1.00 0.00 C ATOM 223 C SER A 16 -7.062 2.550 0.492 1.00 0.00 C ATOM 224 O SER A 16 -6.222 3.293 -0.041 1.00 0.00 O ATOM 225 CB SER A 16 -8.900 4.154 1.222 1.00 0.00 C ATOM 226 OG SER A 16 -9.100 3.813 2.590 1.00 0.00 O ATOM 0 H SER A 16 -9.508 1.505 1.700 1.00 0.00 H new ATOM 0 HA SER A 16 -8.706 3.090 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.090 4.879 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.797 4.628 0.823 1.00 0.00 H new ATOM 0 HG SER A 16 -9.310 4.622 3.101 1.00 0.00 H new ATOM 232 N VAL A 17 -6.718 1.439 1.109 1.00 0.00 N ATOM 233 CA VAL A 17 -5.309 1.113 1.368 1.00 0.00 C ATOM 234 C VAL A 17 -5.041 -0.374 1.118 1.00 0.00 C ATOM 235 O VAL A 17 -5.850 -1.224 1.489 1.00 0.00 O ATOM 236 CB VAL A 17 -4.897 1.451 2.859 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.426 1.151 3.117 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.202 2.904 3.222 1.00 0.00 C ATOM 0 H VAL A 17 -7.383 0.742 1.444 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.715 1.720 0.685 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.501 0.806 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.181 1.396 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.234 0.093 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.810 1.750 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.903 3.092 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.650 3.569 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.271 3.089 3.114 1.00 0.00 H new ATOM 248 N ILE A 18 -3.933 -0.670 0.475 1.00 0.00 N ATOM 249 CA ILE A 18 -3.504 -2.038 0.263 1.00 0.00 C ATOM 250 C ILE A 18 -2.502 -2.355 1.343 1.00 0.00 C ATOM 251 O ILE A 18 -1.599 -1.550 1.613 1.00 0.00 O ATOM 252 CB ILE A 18 -2.738 -2.248 -1.069 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.352 -1.469 -2.214 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.661 -3.738 -1.419 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.757 -1.885 -2.586 1.00 0.00 C ATOM 0 H ILE A 18 -3.303 0.030 0.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.400 -2.659 0.259 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.729 -1.864 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.359 -0.411 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.713 -1.576 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.120 -3.864 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.140 -4.272 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.669 -4.139 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.111 -1.271 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.759 -2.933 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.415 -1.751 -1.728 1.00 0.00 H new ATOM 267 N VAL A 19 -2.635 -3.483 1.925 1.00 0.00 N ATOM 268 CA VAL A 19 -1.713 -3.940 2.929 1.00 0.00 C ATOM 269 C VAL A 19 -1.035 -5.171 2.399 1.00 0.00 C ATOM 270 O VAL A 19 -1.641 -6.243 2.297 1.00 0.00 O ATOM 271 CB VAL A 19 -2.401 -4.269 4.263 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.384 -4.702 5.321 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.233 -3.100 4.755 1.00 0.00 C ATOM 0 H VAL A 19 -3.393 -4.136 1.726 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.001 -3.141 3.133 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.075 -5.107 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.902 -4.928 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.855 -5.590 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.669 -3.897 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.707 -3.363 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.590 -2.232 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.000 -2.864 4.018 1.00 0.00 H new ATOM 283 N VAL A 20 0.183 -5.005 2.028 1.00 0.00 N ATOM 284 CA VAL A 20 0.949 -6.071 1.436 1.00 0.00 C ATOM 285 C VAL A 20 1.999 -6.597 2.367 1.00 0.00 C ATOM 286 O VAL A 20 2.841 -5.847 2.884 1.00 0.00 O ATOM 287 CB VAL A 20 1.564 -5.698 0.066 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.531 -5.859 -1.032 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.042 -4.266 0.080 1.00 0.00 C ATOM 0 H VAL A 20 0.690 -4.125 2.122 1.00 0.00 H new ATOM 0 HA VAL A 20 0.231 -6.870 1.250 1.00 0.00 H new ATOM 0 HB VAL A 20 2.407 -6.363 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.975 -5.594 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.192 -6.894 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.318 -5.205 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.472 -4.017 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.201 -3.604 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.798 -4.142 0.855 1.00 0.00 H new ATOM 299 N ASP A 21 1.910 -7.872 2.607 1.00 0.00 N ATOM 300 CA ASP A 21 2.824 -8.578 3.470 1.00 0.00 C ATOM 301 C ASP A 21 3.968 -9.159 2.640 1.00 0.00 C ATOM 302 O ASP A 21 3.732 -9.709 1.566 1.00 0.00 O ATOM 303 CB ASP A 21 2.072 -9.687 4.193 1.00 0.00 C ATOM 304 CG ASP A 21 2.910 -10.450 5.181 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.021 -10.022 6.336 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.428 -11.509 4.840 1.00 0.00 O ATOM 0 H ASP A 21 1.187 -8.467 2.202 1.00 0.00 H new ATOM 0 HA ASP A 21 3.243 -7.894 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.219 -9.253 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.674 -10.384 3.455 1.00 0.00 H new ATOM 311 N ASN A 22 5.166 -9.039 3.183 1.00 0.00 N ATOM 312 CA ASN A 22 6.487 -9.409 2.605 1.00 0.00 C ATOM 313 C ASN A 22 6.725 -8.967 1.161 1.00 0.00 C ATOM 314 O ASN A 22 6.460 -9.677 0.187 1.00 0.00 O ATOM 315 CB ASN A 22 7.037 -10.835 2.976 1.00 0.00 C ATOM 316 CG ASN A 22 6.443 -12.050 2.260 1.00 0.00 C ATOM 317 OD1 ASN A 22 7.093 -13.088 2.144 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.283 -11.941 1.741 1.00 0.00 N ATOM 0 H ASN A 22 5.271 -8.649 4.120 1.00 0.00 H new ATOM 0 HA ASN A 22 7.158 -8.761 3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.112 -10.835 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.895 -10.978 4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.882 -12.721 1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.757 -11.074 1.846 1.00 0.00 H new ATOM 325 N VAL A 23 7.205 -7.750 1.061 1.00 0.00 N ATOM 326 CA VAL A 23 7.514 -7.093 -0.191 1.00 0.00 C ATOM 327 C VAL A 23 8.967 -7.402 -0.589 1.00 0.00 C ATOM 328 O VAL A 23 9.721 -7.935 0.246 1.00 0.00 O ATOM 329 CB VAL A 23 7.313 -5.550 -0.043 1.00 0.00 C ATOM 330 CG1 VAL A 23 5.865 -5.236 0.281 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.230 -4.971 1.040 1.00 0.00 C ATOM 0 H VAL A 23 7.398 -7.168 1.876 1.00 0.00 H new ATOM 0 HA VAL A 23 6.845 -7.462 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 23 7.575 -5.087 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.740 -4.158 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.225 -5.602 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.588 -5.722 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.067 -3.896 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.006 -5.443 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.270 -5.161 0.776 1.00 0.00 H new ATOM 341 N PRO A 24 9.369 -7.127 -1.873 1.00 0.00 N ATOM 342 CA PRO A 24 10.741 -7.320 -2.349 1.00 0.00 C ATOM 343 C PRO A 24 11.807 -6.785 -1.406 1.00 0.00 C ATOM 344 O PRO A 24 11.605 -5.799 -0.672 1.00 0.00 O ATOM 345 CB PRO A 24 10.795 -6.602 -3.700 1.00 0.00 C ATOM 346 CG PRO A 24 9.464 -5.942 -3.862 1.00 0.00 C ATOM 347 CD PRO A 24 8.514 -6.678 -2.966 1.00 0.00 C ATOM 0 HA PRO A 24 10.965 -8.385 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.601 -5.868 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.984 -7.306 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.517 -4.888 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.132 -5.986 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.712 -6.031 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.043 -7.516 -3.480 1.00 0.00 H new ATOM 355 N GLN A 25 12.933 -7.424 -1.450 1.00 0.00 N ATOM 356 CA GLN A 25 13.990 -7.158 -0.546 1.00 0.00 C ATOM 357 C GLN A 25 14.884 -6.071 -1.115 1.00 0.00 C ATOM 358 O GLN A 25 14.888 -5.805 -2.330 1.00 0.00 O ATOM 359 CB GLN A 25 14.745 -8.446 -0.293 1.00 0.00 C ATOM 360 CG GLN A 25 15.622 -8.867 -1.440 1.00 0.00 C ATOM 361 CD GLN A 25 15.926 -10.323 -1.383 1.00 0.00 C ATOM 362 OE1 GLN A 25 16.922 -10.762 -0.791 1.00 0.00 O ATOM 363 NE2 GLN A 25 15.056 -11.097 -1.969 1.00 0.00 N ATOM 0 H GLN A 25 13.140 -8.156 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 25 13.606 -6.795 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.360 -8.327 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.030 -9.241 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.128 -8.633 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.552 -8.298 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.251 -10.690 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.181 -12.109 -1.952 1.00 0.00 H new ATOM 372 N VAL A 26 15.654 -5.479 -0.274 1.00 0.00 N ATOM 373 CA VAL A 26 16.421 -4.331 -0.644 1.00 0.00 C ATOM 374 C VAL A 26 17.877 -4.515 -0.253 1.00 0.00 C ATOM 375 O VAL A 26 18.180 -5.066 0.799 1.00 0.00 O ATOM 376 CB VAL A 26 15.841 -3.047 0.041 1.00 0.00 C ATOM 377 CG1 VAL A 26 16.594 -1.817 -0.352 1.00 0.00 C ATOM 378 CG2 VAL A 26 14.365 -2.875 -0.277 1.00 0.00 C ATOM 0 H VAL A 26 15.774 -5.774 0.695 1.00 0.00 H new ATOM 0 HA VAL A 26 16.362 -4.212 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 26 15.956 -3.185 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.159 -0.950 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.638 -1.919 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.535 -1.684 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.990 -1.976 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.233 -2.784 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.812 -3.742 0.084 1.00 0.00 H new ATOM 388 N GLY A 27 18.752 -4.101 -1.130 1.00 0.00 N ATOM 389 CA GLY A 27 20.163 -4.096 -0.860 1.00 0.00 C ATOM 390 C GLY A 27 20.561 -2.678 -0.542 1.00 0.00 C ATOM 391 O GLY A 27 19.678 -1.809 -0.545 1.00 0.00 O ATOM 0 H GLY A 27 18.503 -3.756 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.395 -4.756 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.719 -4.466 -1.722 1.00 0.00 H new ATOM 395 N PRO A 28 21.848 -2.376 -0.302 1.00 0.00 N ATOM 396 CA PRO A 28 22.266 -1.021 0.075 1.00 0.00 C ATOM 397 C PRO A 28 21.748 0.040 -0.913 1.00 0.00 C ATOM 398 O PRO A 28 21.968 -0.056 -2.132 1.00 0.00 O ATOM 399 CB PRO A 28 23.808 -1.087 0.030 1.00 0.00 C ATOM 400 CG PRO A 28 24.133 -2.388 -0.641 1.00 0.00 C ATOM 401 CD PRO A 28 22.981 -3.300 -0.358 1.00 0.00 C ATOM 0 HA PRO A 28 21.870 -0.730 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.221 -0.245 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.232 -1.046 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.267 -2.250 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.063 -2.804 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.855 -4.049 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.112 -3.839 0.581 1.00 0.00 H new ATOM 409 N ASP A 29 21.045 1.021 -0.356 1.00 0.00 N ATOM 410 CA ASP A 29 20.440 2.172 -1.062 1.00 0.00 C ATOM 411 C ASP A 29 19.536 1.785 -2.225 1.00 0.00 C ATOM 412 O ASP A 29 19.289 2.593 -3.119 1.00 0.00 O ATOM 413 CB ASP A 29 21.475 3.194 -1.535 1.00 0.00 C ATOM 414 CG ASP A 29 22.278 3.799 -0.420 1.00 0.00 C ATOM 415 OD1 ASP A 29 21.729 4.612 0.367 1.00 0.00 O ATOM 416 OD2 ASP A 29 23.481 3.481 -0.311 1.00 0.00 O ATOM 0 H ASP A 29 20.866 1.047 0.648 1.00 0.00 H new ATOM 0 HA ASP A 29 19.812 2.636 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.153 2.712 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.965 3.990 -2.077 1.00 0.00 H new ATOM 421 N ARG A 30 18.997 0.583 -2.224 1.00 0.00 N ATOM 422 CA ARG A 30 18.084 0.218 -3.308 1.00 0.00 C ATOM 423 C ARG A 30 16.657 0.579 -2.935 1.00 0.00 C ATOM 424 O ARG A 30 15.756 0.420 -3.732 1.00 0.00 O ATOM 425 CB ARG A 30 18.127 -1.276 -3.713 1.00 0.00 C ATOM 426 CG ARG A 30 19.485 -1.834 -4.093 1.00 0.00 C ATOM 427 CD ARG A 30 19.347 -3.161 -4.863 1.00 0.00 C ATOM 428 NE ARG A 30 18.347 -4.094 -4.269 1.00 0.00 N ATOM 429 CZ ARG A 30 18.517 -5.425 -4.096 1.00 0.00 C ATOM 430 NH1 ARG A 30 19.707 -5.980 -4.280 1.00 0.00 N ATOM 431 NH2 ARG A 30 17.485 -6.186 -3.712 1.00 0.00 N ATOM 0 H ARG A 30 19.160 -0.137 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 30 18.427 0.787 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.735 -1.866 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.450 -1.421 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.020 -1.109 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.080 -1.993 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.064 -2.946 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.318 -3.655 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 30 17.458 -3.694 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.502 -5.403 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.827 -6.984 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.571 -5.762 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.612 -7.190 -3.581 1.00 0.00 H new ATOM 445 N LEU A 31 16.468 1.089 -1.728 1.00 0.00 N ATOM 446 CA LEU A 31 15.139 1.403 -1.209 1.00 0.00 C ATOM 447 C LEU A 31 14.483 2.496 -2.066 1.00 0.00 C ATOM 448 O LEU A 31 13.282 2.454 -2.333 1.00 0.00 O ATOM 449 CB LEU A 31 15.245 1.801 0.291 1.00 0.00 C ATOM 450 CG LEU A 31 13.961 1.766 1.168 1.00 0.00 C ATOM 451 CD1 LEU A 31 12.962 2.830 0.784 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.317 0.395 1.121 1.00 0.00 C ATOM 0 H LEU A 31 17.227 1.298 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 31 14.496 0.525 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.980 1.144 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.648 2.813 0.336 1.00 0.00 H new ATOM 0 HG LEU A 31 14.275 1.979 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.087 2.757 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.417 3.814 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.660 2.688 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.421 0.393 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.047 0.155 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.019 -0.350 1.495 1.00 0.00 H new ATOM 464 N GLU A 32 15.283 3.426 -2.527 1.00 0.00 N ATOM 465 CA GLU A 32 14.820 4.508 -3.378 1.00 0.00 C ATOM 466 C GLU A 32 14.233 3.948 -4.699 1.00 0.00 C ATOM 467 O GLU A 32 13.121 4.308 -5.102 1.00 0.00 O ATOM 468 CB GLU A 32 15.974 5.473 -3.652 1.00 0.00 C ATOM 469 CG GLU A 32 15.574 6.746 -4.372 1.00 0.00 C ATOM 470 CD GLU A 32 14.565 7.567 -3.597 1.00 0.00 C ATOM 471 OE1 GLU A 32 14.934 8.181 -2.568 1.00 0.00 O ATOM 472 OE2 GLU A 32 13.396 7.656 -4.029 1.00 0.00 O ATOM 0 H GLU A 32 16.282 3.458 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 32 14.025 5.052 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.441 5.739 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.729 4.957 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.463 7.349 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.157 6.491 -5.346 1.00 0.00 H new ATOM 479 N LYS A 33 14.954 3.028 -5.339 1.00 0.00 N ATOM 480 CA LYS A 33 14.469 2.434 -6.584 1.00 0.00 C ATOM 481 C LYS A 33 13.351 1.432 -6.289 1.00 0.00 C ATOM 482 O LYS A 33 12.496 1.157 -7.146 1.00 0.00 O ATOM 483 CB LYS A 33 15.602 1.788 -7.407 1.00 0.00 C ATOM 484 CG LYS A 33 16.310 0.634 -6.719 1.00 0.00 C ATOM 485 CD LYS A 33 17.414 0.029 -7.570 1.00 0.00 C ATOM 486 CE LYS A 33 16.880 -0.621 -8.842 1.00 0.00 C ATOM 487 NZ LYS A 33 17.960 -1.243 -9.623 1.00 0.00 N ATOM 0 H LYS A 33 15.860 2.683 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 33 14.065 3.238 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.189 1.432 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.338 2.554 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.733 0.983 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.582 -0.139 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.131 0.806 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.954 -0.715 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.137 -1.375 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.375 0.129 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.563 -1.676 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.656 -0.518 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.426 -1.975 -9.050 1.00 0.00 H new ATOM 501 N LEU A 34 13.365 0.898 -5.072 1.00 0.00 N ATOM 502 CA LEU A 34 12.334 0.004 -4.582 1.00 0.00 C ATOM 503 C LEU A 34 11.008 0.755 -4.565 1.00 0.00 C ATOM 504 O LEU A 34 10.033 0.292 -5.126 1.00 0.00 O ATOM 505 CB LEU A 34 12.743 -0.541 -3.175 1.00 0.00 C ATOM 506 CG LEU A 34 11.800 -1.510 -2.410 1.00 0.00 C ATOM 507 CD1 LEU A 34 10.613 -0.792 -1.781 1.00 0.00 C ATOM 508 CD2 LEU A 34 11.335 -2.642 -3.312 1.00 0.00 C ATOM 0 H LEU A 34 14.104 1.079 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 34 12.217 -0.862 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.702 -1.046 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.912 0.322 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 34 12.381 -1.936 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.986 -1.515 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.973 -0.045 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.030 -0.302 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.676 -3.306 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.795 -2.230 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.200 -3.203 -3.667 1.00 0.00 H new ATOM 520 N LYS A 35 11.010 1.956 -3.985 1.00 0.00 N ATOM 521 CA LYS A 35 9.809 2.805 -3.934 1.00 0.00 C ATOM 522 C LYS A 35 9.248 3.050 -5.334 1.00 0.00 C ATOM 523 O LYS A 35 8.037 3.121 -5.536 1.00 0.00 O ATOM 524 CB LYS A 35 10.126 4.174 -3.324 1.00 0.00 C ATOM 525 CG LYS A 35 10.492 4.186 -1.853 1.00 0.00 C ATOM 526 CD LYS A 35 10.821 5.606 -1.425 1.00 0.00 C ATOM 527 CE LYS A 35 11.112 5.719 0.056 1.00 0.00 C ATOM 528 NZ LYS A 35 11.507 7.096 0.432 1.00 0.00 N ATOM 0 H LYS A 35 11.831 2.368 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 35 9.081 2.275 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.949 4.616 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.260 4.821 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.665 3.798 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.347 3.534 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.684 5.960 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.986 6.260 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.229 5.426 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.909 5.025 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.699 7.136 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.364 7.367 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.736 7.754 0.199 1.00 0.00 H new ATOM 542 N ASN A 36 10.137 3.093 -6.305 1.00 0.00 N ATOM 543 CA ASN A 36 9.778 3.458 -7.650 1.00 0.00 C ATOM 544 C ASN A 36 9.106 2.310 -8.336 1.00 0.00 C ATOM 545 O ASN A 36 8.082 2.490 -9.007 1.00 0.00 O ATOM 546 CB ASN A 36 11.011 3.940 -8.433 1.00 0.00 C ATOM 547 CG ASN A 36 10.727 4.231 -9.898 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.852 3.350 -10.746 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.358 5.440 -10.205 1.00 0.00 N ATOM 0 H ASN A 36 11.126 2.875 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 36 9.072 4.287 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.401 4.842 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.792 3.183 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.162 5.682 -11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.265 6.146 -9.475 1.00 0.00 H new ATOM 556 N VAL A 37 9.637 1.126 -8.126 1.00 0.00 N ATOM 557 CA VAL A 37 9.079 -0.042 -8.736 1.00 0.00 C ATOM 558 C VAL A 37 7.734 -0.385 -8.080 1.00 0.00 C ATOM 559 O VAL A 37 6.828 -0.872 -8.739 1.00 0.00 O ATOM 560 CB VAL A 37 10.067 -1.252 -8.729 1.00 0.00 C ATOM 561 CG1 VAL A 37 10.336 -1.805 -7.343 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.595 -2.328 -9.655 1.00 0.00 C ATOM 0 H VAL A 37 10.452 0.955 -7.538 1.00 0.00 H new ATOM 0 HA VAL A 37 8.900 0.181 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 37 11.022 -0.869 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.030 -2.643 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.771 -1.025 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.400 -2.145 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.298 -3.160 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.612 -2.676 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.531 -1.933 -10.669 1.00 0.00 H new ATOM 572 N ILE A 38 7.605 -0.058 -6.793 1.00 0.00 N ATOM 573 CA ILE A 38 6.357 -0.253 -6.064 1.00 0.00 C ATOM 574 C ILE A 38 5.272 0.595 -6.685 1.00 0.00 C ATOM 575 O ILE A 38 4.218 0.084 -7.083 1.00 0.00 O ATOM 576 CB ILE A 38 6.505 0.123 -4.569 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.526 -0.775 -3.865 1.00 0.00 C ATOM 578 CG2 ILE A 38 5.172 0.112 -3.847 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.338 -2.252 -4.121 1.00 0.00 C ATOM 0 H ILE A 38 8.357 0.345 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 38 6.095 -1.309 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 38 6.881 1.145 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.527 -0.487 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.471 -0.595 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.322 0.381 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.499 0.831 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.735 -0.885 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.103 -2.814 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.352 -2.559 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.424 -2.450 -5.189 1.00 0.00 H new ATOM 591 N HIS A 39 5.563 1.885 -6.813 1.00 0.00 N ATOM 592 CA HIS A 39 4.651 2.831 -7.438 1.00 0.00 C ATOM 593 C HIS A 39 4.273 2.378 -8.834 1.00 0.00 C ATOM 594 O HIS A 39 3.131 2.526 -9.252 1.00 0.00 O ATOM 595 CB HIS A 39 5.259 4.243 -7.485 1.00 0.00 C ATOM 596 CG HIS A 39 5.168 5.023 -6.199 1.00 0.00 C ATOM 597 ND1 HIS A 39 5.907 4.768 -5.065 1.00 0.00 N ATOM 598 CD2 HIS A 39 4.387 6.080 -5.896 1.00 0.00 C ATOM 599 CE1 HIS A 39 5.558 5.654 -4.133 1.00 0.00 C ATOM 600 NE2 HIS A 39 4.635 6.482 -4.587 1.00 0.00 N ATOM 0 H HIS A 39 6.435 2.301 -6.487 1.00 0.00 H new ATOM 0 HA HIS A 39 3.748 2.867 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.308 4.160 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.761 4.810 -8.271 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.601 4.029 -4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.678 6.543 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.975 5.690 -3.137 1.00 0.00 H new ATOM 608 N LYS A 40 5.225 1.791 -9.535 1.00 0.00 N ATOM 609 CA LYS A 40 5.011 1.325 -10.862 1.00 0.00 C ATOM 610 C LYS A 40 4.062 0.114 -10.880 1.00 0.00 C ATOM 611 O LYS A 40 3.052 0.132 -11.584 1.00 0.00 O ATOM 612 CB LYS A 40 6.340 0.979 -11.520 1.00 0.00 C ATOM 613 CG LYS A 40 6.232 0.803 -13.003 1.00 0.00 C ATOM 614 CD LYS A 40 5.766 2.094 -13.644 1.00 0.00 C ATOM 615 CE LYS A 40 5.562 1.924 -15.106 1.00 0.00 C ATOM 616 NZ LYS A 40 5.127 3.177 -15.743 1.00 0.00 N ATOM 0 H LYS A 40 6.169 1.631 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 40 4.538 2.125 -11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.061 1.767 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.729 0.062 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.198 0.511 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.532 -0.000 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.835 2.419 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.502 2.878 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.490 1.585 -15.566 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.817 1.148 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.995 3.020 -16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.229 3.487 -15.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.850 3.910 -15.596 1.00 0.00 H new ATOM 630 N ILE A 41 4.388 -0.909 -10.087 1.00 0.00 N ATOM 631 CA ILE A 41 3.578 -2.137 -9.982 1.00 0.00 C ATOM 632 C ILE A 41 2.159 -1.802 -9.591 1.00 0.00 C ATOM 633 O ILE A 41 1.198 -2.206 -10.241 1.00 0.00 O ATOM 634 CB ILE A 41 4.147 -3.126 -8.903 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.524 -3.676 -9.305 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.164 -4.276 -8.612 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.512 -4.517 -10.559 1.00 0.00 C ATOM 0 H ILE A 41 5.220 -0.915 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 41 3.610 -2.613 -10.962 1.00 0.00 H new ATOM 0 HB ILE A 41 4.273 -2.552 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.209 -2.840 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.918 -4.274 -8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.592 -4.940 -7.861 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.224 -3.866 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.979 -4.837 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.522 -4.866 -10.773 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.855 -5.375 -10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.150 -3.918 -11.395 1.00 0.00 H new ATOM 649 N PHE A 42 2.034 -1.026 -8.566 1.00 0.00 N ATOM 650 CA PHE A 42 0.758 -0.743 -8.023 1.00 0.00 C ATOM 651 C PHE A 42 -0.054 0.272 -8.823 1.00 0.00 C ATOM 652 O PHE A 42 -1.201 0.551 -8.481 1.00 0.00 O ATOM 653 CB PHE A 42 0.855 -0.398 -6.563 1.00 0.00 C ATOM 654 CG PHE A 42 1.203 -1.561 -5.686 1.00 0.00 C ATOM 655 CD1 PHE A 42 0.256 -2.524 -5.379 1.00 0.00 C ATOM 656 CD2 PHE A 42 2.457 -1.675 -5.143 1.00 0.00 C ATOM 657 CE1 PHE A 42 0.567 -3.576 -4.542 1.00 0.00 C ATOM 658 CE2 PHE A 42 2.776 -2.717 -4.310 1.00 0.00 C ATOM 659 CZ PHE A 42 1.832 -3.671 -4.003 1.00 0.00 C ATOM 0 H PHE A 42 2.813 -0.574 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 42 0.182 -1.665 -8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.607 0.380 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.097 0.020 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.736 -2.451 -5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.206 -0.932 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.178 -4.322 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.770 -2.789 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.081 -4.489 -3.344 1.00 0.00 H new ATOM 669 N SER A 43 0.502 0.790 -9.914 1.00 0.00 N ATOM 670 CA SER A 43 -0.249 1.653 -10.790 1.00 0.00 C ATOM 671 C SER A 43 -1.324 0.846 -11.537 1.00 0.00 C ATOM 672 O SER A 43 -2.247 1.405 -12.127 1.00 0.00 O ATOM 673 CB SER A 43 0.668 2.385 -11.771 1.00 0.00 C ATOM 674 OG SER A 43 1.484 3.357 -11.114 1.00 0.00 O ATOM 0 H SER A 43 1.466 0.622 -10.203 1.00 0.00 H new ATOM 0 HA SER A 43 -0.744 2.410 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.304 1.662 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.065 2.875 -12.536 1.00 0.00 H new ATOM 0 HG SER A 43 1.824 2.984 -10.274 1.00 0.00 H new ATOM 680 N LYS A 44 -1.220 -0.483 -11.467 1.00 0.00 N ATOM 681 CA LYS A 44 -2.209 -1.357 -12.078 1.00 0.00 C ATOM 682 C LYS A 44 -3.514 -1.314 -11.275 1.00 0.00 C ATOM 683 O LYS A 44 -4.561 -1.734 -11.749 1.00 0.00 O ATOM 684 CB LYS A 44 -1.697 -2.807 -12.154 1.00 0.00 C ATOM 685 CG LYS A 44 -0.320 -2.971 -12.812 1.00 0.00 C ATOM 686 CD LYS A 44 -0.235 -2.326 -14.186 1.00 0.00 C ATOM 687 CE LYS A 44 -1.213 -2.932 -15.166 1.00 0.00 C ATOM 688 NZ LYS A 44 -1.116 -2.284 -16.482 1.00 0.00 N ATOM 0 H LYS A 44 -0.460 -0.971 -10.993 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.392 -1.002 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.652 -3.215 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.422 -3.405 -12.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.440 -2.534 -12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.091 -4.033 -12.901 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.430 -1.257 -14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.778 -2.434 -14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.016 -3.999 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.228 -2.830 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.798 -2.720 -17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.327 -1.270 -16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.153 -2.403 -16.857 1.00 0.00 H new ATOM 702 N PHE A 45 -3.435 -0.815 -10.053 1.00 0.00 N ATOM 703 CA PHE A 45 -4.604 -0.710 -9.189 1.00 0.00 C ATOM 704 C PHE A 45 -5.123 0.733 -9.152 1.00 0.00 C ATOM 705 O PHE A 45 -6.044 1.068 -8.388 1.00 0.00 O ATOM 706 CB PHE A 45 -4.280 -1.207 -7.771 1.00 0.00 C ATOM 707 CG PHE A 45 -3.823 -2.643 -7.706 1.00 0.00 C ATOM 708 CD1 PHE A 45 -2.483 -2.964 -7.853 1.00 0.00 C ATOM 709 CD2 PHE A 45 -4.732 -3.666 -7.496 1.00 0.00 C ATOM 710 CE1 PHE A 45 -2.056 -4.276 -7.795 1.00 0.00 C ATOM 711 CE2 PHE A 45 -4.311 -4.981 -7.437 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.973 -5.287 -7.586 1.00 0.00 C ATOM 0 H PHE A 45 -2.570 -0.474 -9.633 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.389 -1.345 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.504 -0.571 -7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.166 -1.091 -7.147 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.762 -2.177 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.780 -3.434 -7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.008 -4.511 -7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.030 -5.770 -7.274 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.644 -6.315 -7.539 1.00 0.00 H new ATOM 722 N GLY A 46 -4.553 1.578 -9.979 1.00 0.00 N ATOM 723 CA GLY A 46 -4.976 2.947 -10.037 1.00 0.00 C ATOM 724 C GLY A 46 -3.816 3.880 -9.860 1.00 0.00 C ATOM 725 O GLY A 46 -2.673 3.507 -10.121 1.00 0.00 O ATOM 0 H GLY A 46 -3.796 1.336 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.459 3.141 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.719 3.134 -9.261 1.00 0.00 H new ATOM 729 N LYS A 47 -4.087 5.075 -9.426 1.00 0.00 N ATOM 730 CA LYS A 47 -3.054 6.052 -9.213 1.00 0.00 C ATOM 731 C LYS A 47 -2.641 6.019 -7.771 1.00 0.00 C ATOM 732 O LYS A 47 -3.492 6.116 -6.882 1.00 0.00 O ATOM 733 CB LYS A 47 -3.555 7.449 -9.581 1.00 0.00 C ATOM 734 CG LYS A 47 -2.557 8.561 -9.317 1.00 0.00 C ATOM 735 CD LYS A 47 -3.145 9.906 -9.661 1.00 0.00 C ATOM 736 CE LYS A 47 -2.183 11.025 -9.337 1.00 0.00 C ATOM 737 NZ LYS A 47 -2.739 12.341 -9.684 1.00 0.00 N ATOM 0 H LYS A 47 -5.028 5.402 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.199 5.817 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.822 7.460 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.467 7.654 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.260 8.547 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.655 8.393 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.396 9.935 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.074 10.051 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.942 11.001 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.250 10.870 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.050 13.083 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.945 12.373 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.616 12.500 -9.148 1.00 0.00 H new ATOM 751 N ILE A 48 -1.356 5.905 -7.535 1.00 0.00 N ATOM 752 CA ILE A 48 -0.840 5.864 -6.199 1.00 0.00 C ATOM 753 C ILE A 48 -0.920 7.263 -5.641 1.00 0.00 C ATOM 754 O ILE A 48 -0.291 8.188 -6.167 1.00 0.00 O ATOM 755 CB ILE A 48 0.648 5.446 -6.188 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.894 4.182 -7.017 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.147 5.254 -4.753 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.145 2.985 -6.541 1.00 0.00 C ATOM 0 H ILE A 48 -0.646 5.839 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.416 5.145 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 48 1.214 6.255 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.619 4.381 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.960 3.957 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.196 4.960 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.040 6.189 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.560 4.476 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.375 2.134 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.437 2.757 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.925 3.188 -6.577 1.00 0.00 H new ATOM 770 N THR A 49 -1.719 7.428 -4.642 1.00 0.00 N ATOM 771 CA THR A 49 -1.885 8.693 -4.022 1.00 0.00 C ATOM 772 C THR A 49 -0.812 8.862 -2.938 1.00 0.00 C ATOM 773 O THR A 49 -0.185 9.922 -2.823 1.00 0.00 O ATOM 774 CB THR A 49 -3.292 8.770 -3.414 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.241 8.310 -4.402 1.00 0.00 O ATOM 776 CG2 THR A 49 -3.637 10.195 -3.024 1.00 0.00 C ATOM 0 H THR A 49 -2.279 6.681 -4.231 1.00 0.00 H new ATOM 0 HA THR A 49 -1.775 9.495 -4.752 1.00 0.00 H new ATOM 0 HB THR A 49 -3.328 8.149 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.043 8.872 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.639 10.223 -2.596 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.918 10.555 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.602 10.833 -3.907 1.00 0.00 H new ATOM 784 N ASN A 50 -0.579 7.794 -2.192 1.00 0.00 N ATOM 785 CA ASN A 50 0.400 7.755 -1.107 1.00 0.00 C ATOM 786 C ASN A 50 0.862 6.331 -0.888 1.00 0.00 C ATOM 787 O ASN A 50 0.201 5.394 -1.321 1.00 0.00 O ATOM 788 CB ASN A 50 -0.221 8.258 0.216 1.00 0.00 C ATOM 789 CG ASN A 50 -0.289 9.762 0.381 1.00 0.00 C ATOM 790 OD1 ASN A 50 0.605 10.503 -0.060 1.00 0.00 O ATOM 791 ND2 ASN A 50 -1.348 10.224 0.990 1.00 0.00 N ATOM 0 H ASN A 50 -1.072 6.911 -2.323 1.00 0.00 H new ATOM 0 HA ASN A 50 1.235 8.397 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.231 7.856 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.354 7.846 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.464 11.229 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.059 9.580 1.337 1.00 0.00 H new ATOM 798 N ASP A 51 1.987 6.188 -0.242 1.00 0.00 N ATOM 799 CA ASP A 51 2.516 4.909 0.201 1.00 0.00 C ATOM 800 C ASP A 51 3.320 5.228 1.424 1.00 0.00 C ATOM 801 O ASP A 51 3.829 6.357 1.547 1.00 0.00 O ATOM 802 CB ASP A 51 3.363 4.200 -0.865 1.00 0.00 C ATOM 803 CG ASP A 51 3.674 2.703 -0.543 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.695 2.293 0.653 1.00 0.00 O ATOM 805 OD2 ASP A 51 3.967 1.959 -1.491 1.00 0.00 O ATOM 0 H ASP A 51 2.586 6.977 0.002 1.00 0.00 H new ATOM 0 HA ASP A 51 1.709 4.206 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.843 4.254 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.304 4.738 -0.983 1.00 0.00 H new ATOM 810 N PHE A 52 3.434 4.304 2.309 1.00 0.00 N ATOM 811 CA PHE A 52 3.995 4.534 3.615 1.00 0.00 C ATOM 812 C PHE A 52 4.869 3.365 3.971 1.00 0.00 C ATOM 813 O PHE A 52 4.372 2.293 4.348 1.00 0.00 O ATOM 814 CB PHE A 52 2.882 4.679 4.676 1.00 0.00 C ATOM 815 CG PHE A 52 1.825 5.692 4.333 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.082 7.045 4.433 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.571 5.283 3.903 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.115 7.970 4.107 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.399 6.203 3.579 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.127 7.548 3.679 1.00 0.00 C ATOM 0 H PHE A 52 3.136 3.341 2.153 1.00 0.00 H new ATOM 0 HA PHE A 52 4.573 5.458 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.406 3.709 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.337 4.955 5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.051 7.381 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.353 4.228 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.329 9.026 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.371 5.870 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.885 8.273 3.423 1.00 0.00 H new ATOM 830 N TYR A 53 6.140 3.546 3.849 1.00 0.00 N ATOM 831 CA TYR A 53 7.051 2.482 4.076 1.00 0.00 C ATOM 832 C TYR A 53 7.770 2.722 5.398 1.00 0.00 C ATOM 833 O TYR A 53 8.366 3.789 5.607 1.00 0.00 O ATOM 834 CB TYR A 53 8.112 2.378 2.957 1.00 0.00 C ATOM 835 CG TYR A 53 7.638 2.549 1.516 1.00 0.00 C ATOM 836 CD1 TYR A 53 7.098 3.751 1.065 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.753 1.514 0.610 1.00 0.00 C ATOM 838 CE1 TYR A 53 6.690 3.907 -0.224 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.349 1.668 -0.696 1.00 0.00 C ATOM 840 CZ TYR A 53 6.816 2.863 -1.103 1.00 0.00 C ATOM 841 OH TYR A 53 6.406 3.017 -2.398 1.00 0.00 O ATOM 0 H TYR A 53 6.573 4.432 3.590 1.00 0.00 H new ATOM 0 HA TYR A 53 6.480 1.554 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.878 3.129 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.593 1.403 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.001 4.578 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.166 0.569 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.270 4.846 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.451 0.852 -1.396 1.00 0.00 H new ATOM 0 HH TYR A 53 5.473 2.728 -2.482 1.00 0.00 H new ATOM 851 N PRO A 54 7.693 1.770 6.315 1.00 0.00 N ATOM 852 CA PRO A 54 8.453 1.798 7.551 1.00 0.00 C ATOM 853 C PRO A 54 9.853 1.273 7.262 1.00 0.00 C ATOM 854 O PRO A 54 10.164 1.003 6.123 1.00 0.00 O ATOM 855 CB PRO A 54 7.702 0.845 8.465 1.00 0.00 C ATOM 856 CG PRO A 54 7.073 -0.149 7.543 1.00 0.00 C ATOM 857 CD PRO A 54 6.856 0.549 6.220 1.00 0.00 C ATOM 0 HA PRO A 54 8.552 2.790 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.376 0.359 9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.950 1.371 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.716 -1.020 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.127 -0.507 7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.161 -0.079 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.806 0.796 6.067 1.00 0.00 H new ATOM 865 N GLU A 55 10.724 1.249 8.202 1.00 0.00 N ATOM 866 CA GLU A 55 12.013 0.619 7.971 1.00 0.00 C ATOM 867 C GLU A 55 12.609 0.180 9.279 1.00 0.00 C ATOM 868 O GLU A 55 12.038 0.422 10.338 1.00 0.00 O ATOM 869 CB GLU A 55 13.018 1.539 7.217 1.00 0.00 C ATOM 870 CG GLU A 55 13.508 2.753 7.989 1.00 0.00 C ATOM 871 CD GLU A 55 12.432 3.791 8.235 1.00 0.00 C ATOM 872 OE1 GLU A 55 12.194 4.629 7.354 1.00 0.00 O ATOM 873 OE2 GLU A 55 11.812 3.786 9.312 1.00 0.00 O ATOM 0 H GLU A 55 10.592 1.646 9.132 1.00 0.00 H new ATOM 0 HA GLU A 55 11.831 -0.243 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.883 0.942 6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.547 1.883 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.911 2.425 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.328 3.215 7.440 1.00 0.00 H new ATOM 936 N THR A 60 15.123 -3.125 4.942 1.00 0.00 N ATOM 937 CA THR A 60 13.921 -3.690 4.428 1.00 0.00 C ATOM 938 C THR A 60 12.927 -4.088 5.533 1.00 0.00 C ATOM 939 O THR A 60 13.305 -4.527 6.618 1.00 0.00 O ATOM 940 CB THR A 60 14.285 -4.930 3.595 1.00 0.00 C ATOM 941 OG1 THR A 60 15.357 -4.590 2.709 1.00 0.00 O ATOM 942 CG2 THR A 60 13.115 -5.384 2.763 1.00 0.00 C ATOM 0 HA THR A 60 13.428 -2.932 3.819 1.00 0.00 H new ATOM 0 HB THR A 60 14.571 -5.732 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.917 -3.900 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.400 -6.262 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.280 -5.635 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.818 -4.583 2.086 1.00 0.00 H new ATOM 950 N LYS A 61 11.678 -3.872 5.228 1.00 0.00 N ATOM 951 CA LYS A 61 10.544 -4.256 6.039 1.00 0.00 C ATOM 952 C LYS A 61 9.785 -5.335 5.314 1.00 0.00 C ATOM 953 O LYS A 61 10.058 -5.612 4.143 1.00 0.00 O ATOM 954 CB LYS A 61 9.580 -3.076 6.250 1.00 0.00 C ATOM 955 CG LYS A 61 10.001 -1.764 5.615 1.00 0.00 C ATOM 956 CD LYS A 61 9.848 -1.668 4.073 1.00 0.00 C ATOM 957 CE LYS A 61 10.429 -0.353 3.547 1.00 0.00 C ATOM 958 NZ LYS A 61 11.787 -0.040 4.085 1.00 0.00 N ATOM 0 H LYS A 61 11.404 -3.401 4.366 1.00 0.00 H new ATOM 0 HA LYS A 61 10.915 -4.594 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.603 -3.353 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.457 -2.918 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.418 -0.962 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.045 -1.581 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.355 -2.509 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.794 -1.738 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.480 -0.398 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.750 0.461 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.217 0.721 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.706 0.266 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.385 -0.889 4.033 1.00 0.00 H new ATOM 972 N GLY A 62 8.812 -5.882 5.966 1.00 0.00 N ATOM 973 CA GLY A 62 8.013 -6.909 5.363 1.00 0.00 C ATOM 974 C GLY A 62 6.585 -6.465 5.157 1.00 0.00 C ATOM 975 O GLY A 62 5.682 -7.287 5.148 1.00 0.00 O ATOM 0 H GLY A 62 8.547 -5.637 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.447 -7.190 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.029 -7.798 5.993 1.00 0.00 H new ATOM 979 N TYR A 63 6.378 -5.161 5.002 1.00 0.00 N ATOM 980 CA TYR A 63 5.048 -4.605 4.773 1.00 0.00 C ATOM 981 C TYR A 63 5.159 -3.148 4.371 1.00 0.00 C ATOM 982 O TYR A 63 6.111 -2.467 4.787 1.00 0.00 O ATOM 983 CB TYR A 63 4.143 -4.747 6.028 1.00 0.00 C ATOM 984 CG TYR A 63 4.589 -3.967 7.265 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.716 -4.339 7.988 1.00 0.00 C ATOM 986 CD2 TYR A 63 3.864 -2.872 7.711 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.110 -3.642 9.114 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.252 -2.166 8.836 1.00 0.00 C ATOM 989 CZ TYR A 63 5.377 -2.555 9.532 1.00 0.00 C ATOM 990 OH TYR A 63 5.764 -1.859 10.659 1.00 0.00 O ATOM 0 H TYR A 63 7.122 -4.464 5.031 1.00 0.00 H new ATOM 0 HA TYR A 63 4.584 -5.170 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.135 -4.426 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.082 -5.803 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.296 -5.190 7.663 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.981 -2.565 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.988 -3.949 9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.676 -1.314 9.167 1.00 0.00 H new ATOM 0 HH TYR A 63 5.141 -1.119 10.817 1.00 0.00 H new ATOM 1000 N ILE A 64 4.230 -2.696 3.533 1.00 0.00 N ATOM 1001 CA ILE A 64 4.128 -1.299 3.085 1.00 0.00 C ATOM 1002 C ILE A 64 2.631 -1.012 2.914 1.00 0.00 C ATOM 1003 O ILE A 64 1.817 -1.953 3.075 1.00 0.00 O ATOM 1004 CB ILE A 64 4.888 -1.017 1.730 1.00 0.00 C ATOM 1005 CG1 ILE A 64 4.249 -1.774 0.573 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.360 -1.402 1.836 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.928 -1.565 -0.758 1.00 0.00 C ATOM 0 H ILE A 64 3.510 -3.298 3.135 1.00 0.00 H new ATOM 0 HA ILE A 64 4.600 -0.651 3.823 1.00 0.00 H new ATOM 0 HB ILE A 64 4.814 0.053 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.252 -2.839 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.206 -1.469 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.859 -1.197 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.832 -0.820 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.443 -2.464 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.409 -2.140 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.902 -0.507 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.964 -1.898 -0.694 1.00 0.00 H new ATOM 1019 N PHE A 65 2.245 0.211 2.587 1.00 0.00 N ATOM 1020 CA PHE A 65 0.825 0.547 2.501 1.00 0.00 C ATOM 1021 C PHE A 65 0.544 1.445 1.338 1.00 0.00 C ATOM 1022 O PHE A 65 0.918 2.610 1.340 1.00 0.00 O ATOM 1023 CB PHE A 65 0.311 1.238 3.759 1.00 0.00 C ATOM 1024 CG PHE A 65 0.417 0.456 5.037 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.593 -0.407 5.417 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.521 0.595 5.866 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.509 -1.119 6.598 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.613 -0.113 7.042 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.595 -0.971 7.411 1.00 0.00 C ATOM 0 H PHE A 65 2.881 0.981 2.379 1.00 0.00 H new ATOM 0 HA PHE A 65 0.309 -0.405 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.857 2.173 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.736 1.499 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.459 -0.526 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.318 1.267 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.306 -1.790 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.480 0.002 7.676 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.664 -1.525 8.335 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.195 0.933 0.416 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.533 1.656 -0.783 1.00 0.00 C ATOM 1041 C LEU A 66 -1.850 2.346 -0.577 1.00 0.00 C ATOM 1042 O LEU A 66 -2.861 1.692 -0.367 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.647 0.719 -1.991 1.00 0.00 C ATOM 1044 CG LEU A 66 0.633 0.175 -2.657 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.462 1.294 -3.243 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.474 -0.689 -1.722 1.00 0.00 C ATOM 0 H LEU A 66 -0.590 -0.006 0.463 1.00 0.00 H new ATOM 0 HA LEU A 66 0.259 2.378 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.244 -0.139 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.216 1.244 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 66 0.300 -0.475 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.358 0.879 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.878 1.824 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.749 1.987 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.360 -1.041 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.778 -0.100 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.886 -1.545 -1.390 1.00 0.00 H new ATOM 1058 N GLU A 67 -1.838 3.633 -0.618 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.033 4.411 -0.429 1.00 0.00 C ATOM 1060 C GLU A 67 -3.419 5.076 -1.737 1.00 0.00 C ATOM 1061 O GLU A 67 -2.585 5.722 -2.400 1.00 0.00 O ATOM 1062 CB GLU A 67 -2.825 5.458 0.665 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.031 6.354 0.896 1.00 0.00 C ATOM 1064 CD GLU A 67 -3.808 7.394 1.959 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -4.089 7.118 3.131 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -3.389 8.528 1.629 1.00 0.00 O ATOM 0 H GLU A 67 -0.998 4.188 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.841 3.751 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.577 4.951 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.968 6.079 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.290 6.851 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.885 5.737 1.176 1.00 0.00 H new ATOM 1073 N TYR A 68 -4.647 4.902 -2.132 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.135 5.501 -3.346 1.00 0.00 C ATOM 1075 C TYR A 68 -6.406 6.272 -3.044 1.00 0.00 C ATOM 1076 O TYR A 68 -6.979 6.161 -1.952 1.00 0.00 O ATOM 1077 CB TYR A 68 -5.522 4.456 -4.393 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.523 3.393 -4.773 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.124 2.420 -3.874 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.064 3.307 -6.061 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.306 1.408 -4.255 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.225 2.307 -6.443 1.00 0.00 C ATOM 1083 CZ TYR A 68 -2.854 1.356 -5.530 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.076 0.322 -5.916 1.00 0.00 O ATOM 0 H TYR A 68 -5.337 4.345 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.333 6.132 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.420 3.951 -4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.797 4.989 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -4.470 2.467 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.374 4.046 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.017 0.647 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.855 2.263 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.861 0.412 -6.868 1.00 0.00 H new ATOM 1094 N ALA A 69 -6.852 7.014 -4.028 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.125 7.708 -3.997 1.00 0.00 C ATOM 1096 C ALA A 69 -9.065 7.030 -5.001 1.00 0.00 C ATOM 1097 O ALA A 69 -10.141 7.534 -5.329 1.00 0.00 O ATOM 1098 CB ALA A 69 -7.903 9.151 -4.393 1.00 0.00 C ATOM 0 H ALA A 69 -6.332 7.158 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.563 7.673 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.854 9.684 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.211 9.618 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.485 9.192 -5.399 1.00 0.00 H new ATOM 1104 N SER A 70 -8.632 5.873 -5.440 1.00 0.00 N ATOM 1105 CA SER A 70 -9.262 5.094 -6.483 1.00 0.00 C ATOM 1106 C SER A 70 -10.608 4.407 -5.989 1.00 0.00 C ATOM 1107 O SER A 70 -10.751 4.119 -4.802 1.00 0.00 O ATOM 1108 CB SER A 70 -8.180 4.068 -6.980 1.00 0.00 C ATOM 1109 OG SER A 70 -8.624 3.211 -8.006 1.00 0.00 O ATOM 0 H SER A 70 -7.795 5.428 -5.065 1.00 0.00 H new ATOM 0 HA SER A 70 -9.583 5.726 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.309 4.619 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.853 3.464 -6.134 1.00 0.00 H new ATOM 0 HG SER A 70 -7.861 2.717 -8.372 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.529 4.091 -6.961 1.00 0.00 N ATOM 1116 CA PRO A 71 -12.918 3.461 -6.852 1.00 0.00 C ATOM 1117 C PRO A 71 -13.253 2.339 -5.796 1.00 0.00 C ATOM 1118 O PRO A 71 -14.340 1.779 -5.895 1.00 0.00 O ATOM 1119 CB PRO A 71 -13.188 2.927 -8.276 1.00 0.00 C ATOM 1120 CG PRO A 71 -11.960 3.229 -9.057 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.326 4.396 -8.386 1.00 0.00 C ATOM 0 HA PRO A 71 -13.556 4.251 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.389 1.856 -8.261 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.061 3.409 -8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.286 2.373 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.204 3.460 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.269 4.483 -8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.799 5.335 -8.672 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.362 2.022 -4.837 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.370 0.803 -3.995 1.00 0.00 C ATOM 1131 C ALA A 72 -11.651 -0.269 -4.733 1.00 0.00 C ATOM 1132 O ALA A 72 -12.167 -1.300 -5.157 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.762 0.361 -3.501 1.00 0.00 C ATOM 0 H ALA A 72 -11.578 2.636 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.852 1.034 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.664 -0.539 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.205 1.157 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.403 0.152 -4.358 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.417 0.091 -4.913 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.362 -0.621 -5.592 1.00 0.00 C ATOM 1141 C HIS A 73 -8.819 -1.726 -4.696 1.00 0.00 C ATOM 1142 O HIS A 73 -8.489 -2.819 -5.158 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.251 0.417 -5.897 1.00 0.00 C ATOM 1144 CG HIS A 73 -7.878 1.247 -4.678 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -8.549 2.396 -4.287 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -6.977 1.014 -3.712 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.046 2.788 -3.128 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -7.094 1.986 -2.735 1.00 0.00 N ATOM 0 H HIS A 73 -10.083 0.985 -4.552 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.725 -1.086 -6.509 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.365 -0.101 -6.264 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.587 1.080 -6.695 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -9.298 2.858 -4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.271 0.196 -3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.379 3.657 -2.579 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.762 -1.434 -3.391 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.270 -2.375 -2.412 1.00 0.00 C ATOM 1158 C ALA A 74 -9.225 -3.532 -2.323 1.00 0.00 C ATOM 1159 O ALA A 74 -8.834 -4.654 -2.113 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.097 -1.687 -1.066 1.00 0.00 C ATOM 0 H ALA A 74 -9.057 -0.540 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.293 -2.753 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.726 -2.405 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.384 -0.868 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.057 -1.294 -0.732 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.471 -3.226 -2.595 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.561 -4.180 -2.614 1.00 0.00 C ATOM 1168 C VAL A 75 -11.358 -5.216 -3.753 1.00 0.00 C ATOM 1169 O VAL A 75 -11.818 -6.358 -3.669 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.912 -3.408 -2.756 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -14.103 -4.342 -2.923 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.122 -2.529 -1.532 1.00 0.00 C ATOM 0 H VAL A 75 -10.767 -2.275 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.582 -4.740 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.848 -2.800 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -15.016 -3.754 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.967 -4.948 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.179 -4.994 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.064 -1.989 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.151 -3.151 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.302 -1.816 -1.451 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.653 -4.821 -4.792 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.310 -5.751 -5.865 1.00 0.00 C ATOM 1184 C ASP A 76 -9.073 -6.522 -5.444 1.00 0.00 C ATOM 1185 O ASP A 76 -9.031 -7.752 -5.513 1.00 0.00 O ATOM 1186 CB ASP A 76 -10.022 -5.013 -7.181 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.700 -5.960 -8.335 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -8.574 -6.463 -8.422 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -10.581 -6.197 -9.198 1.00 0.00 O ATOM 0 H ASP A 76 -10.305 -3.871 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.154 -6.420 -6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.886 -4.405 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.185 -4.330 -7.033 1.00 0.00 H new ATOM 1194 N ALA A 77 -8.090 -5.774 -4.947 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.805 -6.314 -4.521 1.00 0.00 C ATOM 1196 C ALA A 77 -6.953 -7.407 -3.467 1.00 0.00 C ATOM 1197 O ALA A 77 -6.321 -8.443 -3.569 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.906 -5.203 -4.007 1.00 0.00 C ATOM 0 H ALA A 77 -8.167 -4.764 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.345 -6.772 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.951 -5.624 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.738 -4.474 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.383 -4.712 -3.158 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.806 -7.188 -2.485 1.00 0.00 N ATOM 1205 CA VAL A 78 -8.023 -8.150 -1.427 1.00 0.00 C ATOM 1206 C VAL A 78 -8.586 -9.471 -1.958 1.00 0.00 C ATOM 1207 O VAL A 78 -8.273 -10.540 -1.448 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.936 -7.580 -0.290 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.265 -6.430 0.440 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -10.305 -7.154 -0.815 1.00 0.00 C ATOM 0 H VAL A 78 -8.366 -6.340 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.043 -8.354 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.091 -8.391 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.928 -6.059 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.334 -6.777 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.051 -5.627 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.905 -6.765 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.180 -6.379 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.809 -8.014 -1.257 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.390 -9.384 -2.996 1.00 0.00 N ATOM 1221 CA LYS A 79 -10.038 -10.545 -3.559 1.00 0.00 C ATOM 1222 C LYS A 79 -9.131 -11.264 -4.580 1.00 0.00 C ATOM 1223 O LYS A 79 -9.233 -12.472 -4.766 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.396 -10.114 -4.176 1.00 0.00 C ATOM 1225 CG LYS A 79 -12.370 -11.261 -4.535 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.152 -11.829 -5.933 1.00 0.00 C ATOM 1227 CE LYS A 79 -12.552 -10.822 -6.997 1.00 0.00 C ATOM 1228 NZ LYS A 79 -12.326 -11.330 -8.356 1.00 0.00 N ATOM 0 H LYS A 79 -9.611 -8.509 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.229 -11.272 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.896 -9.445 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.196 -9.537 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.260 -12.063 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.394 -10.896 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.104 -12.101 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.735 -12.742 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.605 -10.568 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.984 -9.902 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.629 -10.616 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.314 -11.532 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.874 -12.202 -8.496 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.261 -10.522 -5.232 1.00 0.00 N ATOM 1243 CA ASN A 80 -7.443 -11.085 -6.316 1.00 0.00 C ATOM 1244 C ASN A 80 -5.968 -11.236 -6.001 1.00 0.00 C ATOM 1245 O ASN A 80 -5.342 -12.239 -6.382 1.00 0.00 O ATOM 1246 CB ASN A 80 -7.582 -10.203 -7.541 1.00 0.00 C ATOM 1247 CG ASN A 80 -8.953 -10.265 -8.127 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -9.575 -11.323 -8.179 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -9.482 -9.144 -8.469 1.00 0.00 N ATOM 0 H ASN A 80 -8.093 -9.534 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.822 -12.094 -6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.349 -9.172 -7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.854 -10.509 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.448 -9.115 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.936 -8.284 -8.413 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.410 -10.284 -5.314 1.00 0.00 N ATOM 1257 CA ALA A 81 -3.972 -10.207 -5.162 1.00 0.00 C ATOM 1258 C ALA A 81 -3.450 -10.888 -3.906 1.00 0.00 C ATOM 1259 O ALA A 81 -2.252 -10.879 -3.661 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.520 -8.753 -5.222 1.00 0.00 C ATOM 0 H ALA A 81 -5.926 -9.541 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.540 -10.761 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.437 -8.704 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.803 -8.323 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.996 -8.190 -4.419 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.324 -11.483 -3.109 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.856 -12.191 -1.910 1.00 0.00 C ATOM 1268 C ASP A 82 -3.027 -13.407 -2.273 1.00 0.00 C ATOM 1269 O ASP A 82 -3.554 -14.414 -2.755 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.991 -12.611 -0.966 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.461 -13.395 0.248 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.944 -12.767 1.197 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.557 -14.660 0.278 1.00 0.00 O ATOM 0 H ASP A 82 -5.333 -11.496 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.236 -11.471 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.525 -11.725 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.709 -13.225 -1.510 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.740 -13.268 -2.135 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.844 -14.364 -2.325 1.00 0.00 C ATOM 1280 C GLY A 83 -0.326 -14.486 -3.737 1.00 0.00 C ATOM 1281 O GLY A 83 -0.360 -15.579 -4.308 1.00 0.00 O ATOM 0 H GLY A 83 -1.285 -12.389 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.001 -14.253 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.352 -15.289 -2.053 1.00 0.00 H new ATOM 1285 N TYR A 84 0.135 -13.389 -4.325 1.00 0.00 N ATOM 1286 CA TYR A 84 0.722 -13.487 -5.642 1.00 0.00 C ATOM 1287 C TYR A 84 2.236 -13.403 -5.531 1.00 0.00 C ATOM 1288 O TYR A 84 2.781 -12.494 -4.889 1.00 0.00 O ATOM 1289 CB TYR A 84 0.112 -12.502 -6.685 1.00 0.00 C ATOM 1290 CG TYR A 84 0.492 -11.025 -6.615 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.121 -10.160 -5.729 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.439 -10.499 -7.491 1.00 0.00 C ATOM 1293 CE1 TYR A 84 0.198 -8.812 -5.706 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.760 -9.157 -7.480 1.00 0.00 C ATOM 1295 CZ TYR A 84 1.136 -8.318 -6.585 1.00 0.00 C ATOM 1296 OH TYR A 84 1.454 -6.977 -6.569 1.00 0.00 O ATOM 0 H TYR A 84 0.113 -12.452 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 84 0.465 -14.465 -6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.381 -12.865 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.973 -12.567 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.862 -10.541 -5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.932 -11.155 -8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.287 -8.152 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.495 -8.768 -8.169 1.00 0.00 H new ATOM 0 HH TYR A 84 2.134 -6.794 -7.251 1.00 0.00 H new ATOM 1306 N LYS A 85 2.891 -14.367 -6.108 1.00 0.00 N ATOM 1307 CA LYS A 85 4.324 -14.546 -5.993 1.00 0.00 C ATOM 1308 C LYS A 85 5.077 -13.981 -7.173 1.00 0.00 C ATOM 1309 O LYS A 85 4.716 -14.221 -8.329 1.00 0.00 O ATOM 1310 CB LYS A 85 4.717 -16.036 -5.777 1.00 0.00 C ATOM 1311 CG LYS A 85 4.062 -17.040 -6.736 1.00 0.00 C ATOM 1312 CD LYS A 85 2.687 -17.491 -6.237 1.00 0.00 C ATOM 1313 CE LYS A 85 1.948 -18.331 -7.270 1.00 0.00 C ATOM 1314 NZ LYS A 85 2.682 -19.556 -7.669 1.00 0.00 N ATOM 0 H LYS A 85 2.439 -15.074 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 85 4.616 -13.982 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.799 -16.125 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.461 -16.316 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.960 -16.587 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.710 -17.909 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.806 -18.068 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.088 -16.615 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.975 -18.614 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.762 -17.723 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.103 -20.107 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.577 -19.291 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.882 -20.131 -6.826 1.00 0.00 H new ATOM 1328 N LEU A 86 6.083 -13.197 -6.885 1.00 0.00 N ATOM 1329 CA LEU A 86 6.961 -12.699 -7.920 1.00 0.00 C ATOM 1330 C LEU A 86 8.041 -13.737 -8.160 1.00 0.00 C ATOM 1331 O LEU A 86 8.021 -14.456 -9.167 1.00 0.00 O ATOM 1332 CB LEU A 86 7.629 -11.356 -7.551 1.00 0.00 C ATOM 1333 CG LEU A 86 6.728 -10.143 -7.295 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.587 -8.913 -7.034 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.786 -9.900 -8.468 1.00 0.00 C ATOM 0 H LEU A 86 6.318 -12.887 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 86 6.360 -12.521 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.230 -11.518 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.317 -11.095 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 86 6.115 -10.345 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.944 -8.052 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.216 -9.087 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.217 -8.718 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.159 -9.033 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.369 -9.716 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.155 -10.777 -8.616 1.00 0.00 H new ATOM 1347 N ASP A 87 8.940 -13.846 -7.198 1.00 0.00 N ATOM 1348 CA ASP A 87 10.059 -14.770 -7.233 1.00 0.00 C ATOM 1349 C ASP A 87 10.720 -14.721 -5.861 1.00 0.00 C ATOM 1350 O ASP A 87 10.363 -13.855 -5.045 1.00 0.00 O ATOM 1351 CB ASP A 87 11.072 -14.379 -8.348 1.00 0.00 C ATOM 1352 CG ASP A 87 12.183 -15.403 -8.548 1.00 0.00 C ATOM 1353 OD1 ASP A 87 11.892 -16.544 -8.948 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.357 -15.096 -8.278 1.00 0.00 O ATOM 0 H ASP A 87 8.911 -13.280 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 87 9.715 -15.779 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.534 -14.250 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.517 -13.415 -8.101 1.00 0.00 H new ATOM 1359 N LYS A 88 11.668 -15.602 -5.625 1.00 0.00 N ATOM 1360 CA LYS A 88 12.403 -15.743 -4.406 1.00 0.00 C ATOM 1361 C LYS A 88 11.537 -15.880 -3.148 1.00 0.00 C ATOM 1362 O LYS A 88 11.061 -16.978 -2.846 1.00 0.00 O ATOM 1363 CB LYS A 88 13.446 -14.662 -4.314 1.00 0.00 C ATOM 1364 CG LYS A 88 14.610 -14.847 -5.281 1.00 0.00 C ATOM 1365 CD LYS A 88 15.674 -13.769 -5.133 1.00 0.00 C ATOM 1366 CE LYS A 88 16.383 -13.837 -3.786 1.00 0.00 C ATOM 1367 NZ LYS A 88 17.081 -15.127 -3.570 1.00 0.00 N ATOM 0 H LYS A 88 11.958 -16.278 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 88 12.913 -16.706 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.975 -13.698 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.833 -14.629 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.063 -15.824 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.232 -14.841 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.407 -13.873 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.213 -12.788 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.104 -13.023 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.655 -13.685 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.708 -15.049 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.380 -15.877 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.646 -15.361 -4.411 1.00 0.00 H new ATOM 1381 N GLN A 89 11.301 -14.790 -2.455 1.00 0.00 N ATOM 1382 CA GLN A 89 10.520 -14.822 -1.222 1.00 0.00 C ATOM 1383 C GLN A 89 9.312 -13.907 -1.350 1.00 0.00 C ATOM 1384 O GLN A 89 8.480 -13.822 -0.446 1.00 0.00 O ATOM 1385 CB GLN A 89 11.379 -14.321 -0.040 1.00 0.00 C ATOM 1386 CG GLN A 89 11.726 -12.837 -0.132 1.00 0.00 C ATOM 1387 CD GLN A 89 12.433 -12.278 1.085 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.249 -12.742 2.205 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.227 -11.260 0.869 1.00 0.00 N ATOM 0 H GLN A 89 11.636 -13.863 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 89 10.199 -15.848 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.845 -14.505 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.301 -14.901 0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.356 -12.678 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.808 -12.272 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.353 -10.904 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.720 -10.823 1.648 1.00 0.00 H new ATOM 1398 N HIS A 90 9.202 -13.260 -2.487 1.00 0.00 N ATOM 1399 CA HIS A 90 8.272 -12.156 -2.637 1.00 0.00 C ATOM 1400 C HIS A 90 6.906 -12.645 -3.039 1.00 0.00 C ATOM 1401 O HIS A 90 6.662 -12.957 -4.207 1.00 0.00 O ATOM 1402 CB HIS A 90 8.783 -11.149 -3.671 1.00 0.00 C ATOM 1403 CG HIS A 90 10.250 -10.820 -3.546 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.126 -10.806 -4.608 1.00 0.00 N ATOM 1405 CD2 HIS A 90 10.993 -10.530 -2.454 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.335 -10.527 -4.149 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.321 -10.348 -2.838 1.00 0.00 N ATOM 0 H HIS A 90 9.743 -13.476 -3.324 1.00 0.00 H new ATOM 0 HA HIS A 90 8.194 -11.662 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.595 -11.544 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.207 -10.228 -3.579 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.884 -10.981 -5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.617 -10.452 -1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.219 -10.455 -4.765 1.00 0.00 H new ATOM 1415 N THR A 91 6.052 -12.748 -2.082 1.00 0.00 N ATOM 1416 CA THR A 91 4.701 -13.183 -2.300 1.00 0.00 C ATOM 1417 C THR A 91 3.789 -12.240 -1.565 1.00 0.00 C ATOM 1418 O THR A 91 3.740 -12.266 -0.367 1.00 0.00 O ATOM 1419 CB THR A 91 4.500 -14.609 -1.772 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.652 -15.403 -2.108 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.269 -15.230 -2.407 1.00 0.00 C ATOM 0 H THR A 91 6.267 -12.531 -1.109 1.00 0.00 H new ATOM 0 HA THR A 91 4.481 -13.183 -3.367 1.00 0.00 H new ATOM 0 HB THR A 91 4.369 -14.575 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.530 -16.315 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.134 -16.242 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.392 -14.631 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.395 -15.263 -3.489 1.00 0.00 H new ATOM 1429 N PHE A 92 3.054 -11.443 -2.262 1.00 0.00 N ATOM 1430 CA PHE A 92 2.285 -10.416 -1.602 1.00 0.00 C ATOM 1431 C PHE A 92 1.000 -10.962 -1.055 1.00 0.00 C ATOM 1432 O PHE A 92 0.106 -11.332 -1.805 1.00 0.00 O ATOM 1433 CB PHE A 92 1.977 -9.272 -2.545 1.00 0.00 C ATOM 1434 CG PHE A 92 3.182 -8.644 -3.143 1.00 0.00 C ATOM 1435 CD1 PHE A 92 3.901 -7.698 -2.452 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.593 -9.000 -4.406 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.011 -7.116 -3.019 1.00 0.00 C ATOM 1438 CE2 PHE A 92 4.692 -8.427 -4.976 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.405 -7.484 -4.289 1.00 0.00 C ATOM 0 H PHE A 92 2.962 -11.472 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 92 2.893 -10.046 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.334 -9.637 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.413 -8.511 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.593 -7.410 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.037 -9.745 -4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.572 -6.373 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.999 -8.718 -5.970 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.274 -7.028 -4.739 1.00 0.00 H new ATOM 1449 N ARG A 93 0.929 -11.065 0.245 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.303 -11.449 0.894 1.00 0.00 C ATOM 1451 C ARG A 93 -1.051 -10.181 1.189 1.00 0.00 C ATOM 1452 O ARG A 93 -0.469 -9.237 1.731 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.096 -12.287 2.187 1.00 0.00 C ATOM 1454 CG ARG A 93 0.532 -13.665 1.971 1.00 0.00 C ATOM 1455 CD ARG A 93 2.041 -13.616 1.760 1.00 0.00 C ATOM 1456 NE ARG A 93 2.787 -13.425 3.004 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.525 -14.369 3.606 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.461 -15.627 3.209 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.291 -14.035 4.630 1.00 0.00 N ATOM 0 H ARG A 93 1.708 -10.889 0.879 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.864 -12.106 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.535 -11.720 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.061 -12.417 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.313 -14.295 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.067 -14.137 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.366 -14.542 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.280 -12.805 1.072 1.00 0.00 H new ATOM 0 HE ARG A 93 2.742 -12.507 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.846 -15.888 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.026 -16.338 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.316 -13.068 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.857 -14.744 5.096 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.302 -10.135 0.822 1.00 0.00 N ATOM 1474 CA VAL A 94 -3.062 -8.917 0.926 1.00 0.00 C ATOM 1475 C VAL A 94 -4.111 -9.036 2.007 1.00 0.00 C ATOM 1476 O VAL A 94 -5.117 -9.739 1.861 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.700 -8.518 -0.436 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -4.527 -7.251 -0.309 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -2.616 -8.316 -1.481 1.00 0.00 C ATOM 0 H VAL A 94 -2.820 -10.930 0.447 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.374 -8.119 1.203 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.360 -9.329 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.959 -7.000 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.327 -7.409 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.890 -6.433 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.073 -8.037 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.941 -7.524 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.055 -9.242 -1.607 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.849 -8.385 3.091 1.00 0.00 N ATOM 1490 CA ASN A 95 -4.719 -8.377 4.223 1.00 0.00 C ATOM 1491 C ASN A 95 -5.380 -7.006 4.330 1.00 0.00 C ATOM 1492 O ASN A 95 -4.962 -6.071 3.638 1.00 0.00 O ATOM 1493 CB ASN A 95 -3.907 -8.809 5.473 1.00 0.00 C ATOM 1494 CG ASN A 95 -4.286 -8.141 6.770 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -5.190 -8.578 7.481 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.573 -7.112 7.095 1.00 0.00 N ATOM 0 H ASN A 95 -3.003 -7.829 3.219 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.535 -9.094 4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.015 -9.887 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.852 -8.614 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.750 -6.626 7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.834 -6.787 6.472 1.00 0.00 H new