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 Single : A 16 SER OG : rot -130:sc= 1.3 USER MOD Single : A 22 ASN : amide:sc= 0.223 X(o=0.22,f=-0.16) USER MOD Single : A 25 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.064) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0.517) USER MOD Single : A 36 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.033) USER MOD Single : A 39 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 40 LYS NZ :NH3+ 138:sc= -0.0692 (180deg=-0.412) USER MOD Single : A 43 SER OG : rot 53:sc= 1.29 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc=-0.00188 (180deg=-0.0706) USER MOD Single : A 49 THR OG1 : rot -90:sc= -0.012 USER MOD Single : A 50 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.049) USER MOD Single : A 53 TYR OH : rot 93:sc= 0.32 USER MOD Single : A 60 THR OG1 : rot 34:sc= 0.303 USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.238 (180deg=-1.92!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-7.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 84 TYR OH : rot 151:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0625) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= -0.0184 (180deg=-0.125) USER MOD Single : A 89 GLN : amide:sc= 0.733 K(o=0.73,f=-8.5!) USER MOD Single : A 90 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-3.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 95 ASN : amide:sc= -0.608 K(o=-0.61,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.162 0.213 2.742 1.00 0.00 N ATOM 210 CA ASP A 15 -10.738 -0.460 1.500 1.00 0.00 C ATOM 211 C ASP A 15 -9.806 0.464 0.715 1.00 0.00 C ATOM 212 O ASP A 15 -9.590 0.304 -0.447 1.00 0.00 O ATOM 213 CB ASP A 15 -12.005 -0.774 0.653 1.00 0.00 C ATOM 214 CG ASP A 15 -11.784 -1.686 -0.563 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.762 -2.923 -0.378 1.00 0.00 O ATOM 216 OD2 ASP A 15 -11.733 -1.185 -1.722 1.00 0.00 O ATOM 0 HA ASP A 15 -10.208 -1.384 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.748 -1.238 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.430 0.168 0.305 1.00 0.00 H new ATOM 221 N SER A 16 -9.258 1.443 1.363 1.00 0.00 N ATOM 222 CA SER A 16 -8.423 2.388 0.650 1.00 0.00 C ATOM 223 C SER A 16 -6.954 2.212 1.021 1.00 0.00 C ATOM 224 O SER A 16 -6.069 2.827 0.417 1.00 0.00 O ATOM 225 CB SER A 16 -8.900 3.812 0.938 1.00 0.00 C ATOM 226 OG SER A 16 -8.364 4.756 0.019 1.00 0.00 O ATOM 0 H SER A 16 -9.363 1.617 2.363 1.00 0.00 H new ATOM 0 HA SER A 16 -8.510 2.199 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.989 3.844 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.613 4.091 1.952 1.00 0.00 H new ATOM 0 HG SER A 16 -7.977 5.509 0.512 1.00 0.00 H new ATOM 232 N VAL A 17 -6.690 1.355 1.986 1.00 0.00 N ATOM 233 CA VAL A 17 -5.341 1.159 2.442 1.00 0.00 C ATOM 234 C VAL A 17 -4.878 -0.222 2.058 1.00 0.00 C ATOM 235 O VAL A 17 -5.479 -1.211 2.452 1.00 0.00 O ATOM 236 CB VAL A 17 -5.194 1.355 3.980 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.736 1.202 4.410 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.723 2.717 4.401 1.00 0.00 C ATOM 0 H VAL A 17 -7.391 0.789 2.464 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.721 1.916 1.962 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.784 0.583 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.658 1.343 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.382 0.205 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.126 1.949 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.611 2.834 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.161 3.499 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.777 2.796 4.135 1.00 0.00 H new ATOM 248 N ILE A 18 -3.851 -0.284 1.256 1.00 0.00 N ATOM 249 CA ILE A 18 -3.297 -1.560 0.868 1.00 0.00 C ATOM 250 C ILE A 18 -2.347 -2.001 1.936 1.00 0.00 C ATOM 251 O ILE A 18 -1.581 -1.200 2.474 1.00 0.00 O ATOM 252 CB ILE A 18 -2.518 -1.503 -0.466 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.344 -0.863 -1.562 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.043 -2.903 -0.902 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.611 -1.620 -1.915 1.00 0.00 C ATOM 0 H ILE A 18 -3.380 0.528 0.858 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.130 -2.250 0.736 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.638 -0.883 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.613 0.148 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.729 -0.771 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.499 -2.826 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.387 -3.319 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.906 -3.555 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.141 -1.092 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.353 -2.623 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.250 -1.690 -1.035 1.00 0.00 H new ATOM 267 N VAL A 19 -2.404 -3.244 2.219 1.00 0.00 N ATOM 268 CA VAL A 19 -1.588 -3.876 3.214 1.00 0.00 C ATOM 269 C VAL A 19 -0.973 -5.107 2.602 1.00 0.00 C ATOM 270 O VAL A 19 -1.686 -6.055 2.249 1.00 0.00 O ATOM 271 CB VAL A 19 -2.413 -4.325 4.439 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.519 -4.938 5.506 1.00 0.00 C ATOM 273 CG2 VAL A 19 -3.246 -3.198 5.007 1.00 0.00 C ATOM 0 H VAL A 19 -3.043 -3.888 1.752 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.839 -3.157 3.545 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.106 -5.093 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.127 -5.245 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.005 -5.807 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.784 -4.202 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.810 -3.560 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.592 -2.383 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.938 -2.837 4.246 1.00 0.00 H new ATOM 283 N VAL A 20 0.308 -5.082 2.444 1.00 0.00 N ATOM 284 CA VAL A 20 1.038 -6.217 1.909 1.00 0.00 C ATOM 285 C VAL A 20 2.060 -6.706 2.902 1.00 0.00 C ATOM 286 O VAL A 20 2.803 -5.909 3.496 1.00 0.00 O ATOM 287 CB VAL A 20 1.723 -5.935 0.541 1.00 0.00 C ATOM 288 CG1 VAL A 20 0.708 -5.835 -0.566 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.526 -4.675 0.592 1.00 0.00 C ATOM 0 H VAL A 20 0.893 -4.280 2.678 1.00 0.00 H new ATOM 0 HA VAL A 20 0.292 -6.991 1.729 1.00 0.00 H new ATOM 0 HB VAL A 20 2.388 -6.774 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.217 -5.638 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.157 -6.773 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.014 -5.022 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.994 -4.502 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.873 -3.837 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.298 -4.766 1.356 1.00 0.00 H new ATOM 299 N ASP A 21 2.065 -7.989 3.107 1.00 0.00 N ATOM 300 CA ASP A 21 3.001 -8.623 4.016 1.00 0.00 C ATOM 301 C ASP A 21 4.172 -9.198 3.238 1.00 0.00 C ATOM 302 O ASP A 21 3.986 -9.715 2.131 1.00 0.00 O ATOM 303 CB ASP A 21 2.309 -9.712 4.833 1.00 0.00 C ATOM 304 CG ASP A 21 3.253 -10.444 5.768 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.887 -9.810 6.628 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.392 -11.671 5.638 1.00 0.00 O ATOM 0 H ASP A 21 1.422 -8.637 2.652 1.00 0.00 H new ATOM 0 HA ASP A 21 3.377 -7.871 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.504 -9.264 5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.850 -10.431 4.154 1.00 0.00 H new ATOM 311 N ASN A 22 5.346 -9.094 3.843 1.00 0.00 N ATOM 312 CA ASN A 22 6.662 -9.452 3.294 1.00 0.00 C ATOM 313 C ASN A 22 6.925 -9.009 1.874 1.00 0.00 C ATOM 314 O ASN A 22 6.758 -9.759 0.902 1.00 0.00 O ATOM 315 CB ASN A 22 7.241 -10.869 3.646 1.00 0.00 C ATOM 316 CG ASN A 22 6.462 -12.099 3.185 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.529 -13.151 3.821 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.775 -12.021 2.103 1.00 0.00 N ATOM 0 H ASN A 22 5.418 -8.734 4.795 1.00 0.00 H new ATOM 0 HA ASN A 22 7.289 -8.802 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.245 -10.933 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.345 -10.927 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.273 -12.839 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.731 -11.141 1.589 1.00 0.00 H new ATOM 325 N VAL A 23 7.303 -7.767 1.767 1.00 0.00 N ATOM 326 CA VAL A 23 7.700 -7.180 0.516 1.00 0.00 C ATOM 327 C VAL A 23 9.125 -7.631 0.198 1.00 0.00 C ATOM 328 O VAL A 23 9.824 -8.117 1.103 1.00 0.00 O ATOM 329 CB VAL A 23 7.614 -5.622 0.564 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.174 -5.185 0.705 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.453 -5.057 1.712 1.00 0.00 C ATOM 0 H VAL A 23 7.345 -7.123 2.557 1.00 0.00 H new ATOM 0 HA VAL A 23 7.020 -7.513 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 23 8.016 -5.231 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.126 -4.097 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.598 -5.549 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.758 -5.594 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.373 -3.970 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.088 -5.455 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.496 -5.343 1.576 1.00 0.00 H new ATOM 341 N PRO A 24 9.555 -7.543 -1.084 1.00 0.00 N ATOM 342 CA PRO A 24 10.898 -7.926 -1.511 1.00 0.00 C ATOM 343 C PRO A 24 11.998 -7.397 -0.637 1.00 0.00 C ATOM 344 O PRO A 24 12.002 -6.225 -0.239 1.00 0.00 O ATOM 345 CB PRO A 24 11.031 -7.360 -2.932 1.00 0.00 C ATOM 346 CG PRO A 24 9.814 -6.517 -3.133 1.00 0.00 C ATOM 347 CD PRO A 24 8.769 -7.094 -2.231 1.00 0.00 C ATOM 0 HA PRO A 24 11.008 -9.009 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.941 -6.769 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.083 -8.159 -3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.014 -5.475 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.489 -6.540 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.023 -6.351 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.234 -7.918 -2.704 1.00 0.00 H new ATOM 355 N GLN A 25 12.888 -8.304 -0.313 1.00 0.00 N ATOM 356 CA GLN A 25 14.066 -8.028 0.423 1.00 0.00 C ATOM 357 C GLN A 25 14.837 -6.934 -0.264 1.00 0.00 C ATOM 358 O GLN A 25 14.995 -6.937 -1.502 1.00 0.00 O ATOM 359 CB GLN A 25 14.894 -9.306 0.551 1.00 0.00 C ATOM 360 CG GLN A 25 16.227 -9.141 1.241 1.00 0.00 C ATOM 361 CD GLN A 25 17.429 -9.134 0.288 1.00 0.00 C ATOM 362 OE1 GLN A 25 18.525 -9.532 0.670 1.00 0.00 O ATOM 363 NE2 GLN A 25 17.243 -8.718 -0.950 1.00 0.00 N ATOM 0 H GLN A 25 12.794 -9.286 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 25 13.816 -7.686 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.309 -10.046 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.067 -9.710 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.219 -8.208 1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.353 -9.949 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.323 -8.391 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.019 -8.723 -1.612 1.00 0.00 H new ATOM 372 N VAL A 26 15.337 -6.052 0.503 1.00 0.00 N ATOM 373 CA VAL A 26 15.986 -4.902 -0.029 1.00 0.00 C ATOM 374 C VAL A 26 17.480 -5.079 0.083 1.00 0.00 C ATOM 375 O VAL A 26 17.975 -5.598 1.081 1.00 0.00 O ATOM 376 CB VAL A 26 15.574 -3.601 0.714 1.00 0.00 C ATOM 377 CG1 VAL A 26 15.980 -2.381 -0.080 1.00 0.00 C ATOM 378 CG2 VAL A 26 14.083 -3.573 1.041 1.00 0.00 C ATOM 0 H VAL A 26 15.314 -6.096 1.522 1.00 0.00 H new ATOM 0 HA VAL A 26 15.683 -4.803 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 26 16.107 -3.587 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.682 -1.481 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.061 -2.380 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.490 -2.401 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.842 -2.645 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.507 -3.633 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.835 -4.421 1.679 1.00 0.00 H new ATOM 388 N GLY A 27 18.182 -4.694 -0.945 1.00 0.00 N ATOM 389 CA GLY A 27 19.621 -4.725 -0.914 1.00 0.00 C ATOM 390 C GLY A 27 20.135 -3.321 -0.740 1.00 0.00 C ATOM 391 O GLY A 27 19.320 -2.395 -0.645 1.00 0.00 O ATOM 0 H GLY A 27 17.782 -4.353 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 19.967 -5.357 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.009 -5.157 -1.837 1.00 0.00 H new ATOM 395 N PRO A 28 21.453 -3.101 -0.721 1.00 0.00 N ATOM 396 CA PRO A 28 22.021 -1.763 -0.499 1.00 0.00 C ATOM 397 C PRO A 28 21.568 -0.758 -1.557 1.00 0.00 C ATOM 398 O PRO A 28 21.718 -0.989 -2.763 1.00 0.00 O ATOM 399 CB PRO A 28 23.527 -1.997 -0.602 1.00 0.00 C ATOM 400 CG PRO A 28 23.696 -3.446 -0.320 1.00 0.00 C ATOM 401 CD PRO A 28 22.496 -4.113 -0.906 1.00 0.00 C ATOM 0 HA PRO A 28 21.704 -1.339 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 28 23.902 -1.738 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.074 -1.386 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.614 -3.828 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 28 23.763 -3.631 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.641 -4.359 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.256 -5.043 -0.391 1.00 0.00 H new ATOM 409 N ASP A 29 21.013 0.345 -1.073 1.00 0.00 N ATOM 410 CA ASP A 29 20.450 1.471 -1.862 1.00 0.00 C ATOM 411 C ASP A 29 19.435 0.995 -2.930 1.00 0.00 C ATOM 412 O ASP A 29 19.139 1.684 -3.900 1.00 0.00 O ATOM 413 CB ASP A 29 21.556 2.362 -2.467 1.00 0.00 C ATOM 414 CG ASP A 29 21.013 3.685 -3.005 1.00 0.00 C ATOM 415 OD1 ASP A 29 20.614 4.557 -2.193 1.00 0.00 O ATOM 416 OD2 ASP A 29 20.967 3.883 -4.237 1.00 0.00 O ATOM 0 H ASP A 29 20.931 0.502 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 29 19.891 2.092 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.311 2.565 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.053 1.822 -3.273 1.00 0.00 H new ATOM 421 N ARG A 30 18.867 -0.172 -2.721 1.00 0.00 N ATOM 422 CA ARG A 30 17.896 -0.692 -3.666 1.00 0.00 C ATOM 423 C ARG A 30 16.510 -0.197 -3.352 1.00 0.00 C ATOM 424 O ARG A 30 15.634 -0.241 -4.208 1.00 0.00 O ATOM 425 CB ARG A 30 17.880 -2.216 -3.711 1.00 0.00 C ATOM 426 CG ARG A 30 19.089 -2.863 -4.358 1.00 0.00 C ATOM 427 CD ARG A 30 18.903 -4.376 -4.419 1.00 0.00 C ATOM 428 NE ARG A 30 17.658 -4.741 -5.105 1.00 0.00 N ATOM 429 CZ ARG A 30 16.804 -5.704 -4.716 1.00 0.00 C ATOM 430 NH1 ARG A 30 17.091 -6.492 -3.683 1.00 0.00 N ATOM 431 NH2 ARG A 30 15.674 -5.880 -5.383 1.00 0.00 N ATOM 0 H ARG A 30 19.055 -0.773 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 30 18.205 -0.324 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.791 -2.591 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.987 -2.537 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.230 -2.465 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.988 -2.622 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.750 -4.826 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.895 -4.783 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 30 17.420 -4.220 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.968 -6.369 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.434 -7.219 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.457 -5.288 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.020 -6.608 -5.095 1.00 0.00 H new ATOM 445 N LEU A 31 16.322 0.286 -2.130 1.00 0.00 N ATOM 446 CA LEU A 31 15.013 0.709 -1.635 1.00 0.00 C ATOM 447 C LEU A 31 14.343 1.730 -2.544 1.00 0.00 C ATOM 448 O LEU A 31 13.149 1.602 -2.831 1.00 0.00 O ATOM 449 CB LEU A 31 15.116 1.219 -0.170 1.00 0.00 C ATOM 450 CG LEU A 31 13.801 1.488 0.606 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.155 2.806 0.209 1.00 0.00 C ATOM 452 CD2 LEU A 31 12.823 0.344 0.379 1.00 0.00 C ATOM 0 H LEU A 31 17.074 0.397 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 31 14.367 -0.169 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.694 0.489 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.692 2.144 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 31 14.056 1.556 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.238 2.948 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.843 3.626 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.921 2.790 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.901 0.539 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.602 0.260 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.265 -0.588 0.732 1.00 0.00 H new ATOM 464 N GLU A 32 15.093 2.717 -2.984 1.00 0.00 N ATOM 465 CA GLU A 32 14.555 3.772 -3.819 1.00 0.00 C ATOM 466 C GLU A 32 13.912 3.195 -5.088 1.00 0.00 C ATOM 467 O GLU A 32 12.715 3.362 -5.307 1.00 0.00 O ATOM 468 CB GLU A 32 15.637 4.796 -4.155 1.00 0.00 C ATOM 469 CG GLU A 32 15.109 6.030 -4.849 1.00 0.00 C ATOM 470 CD GLU A 32 14.050 6.726 -4.039 1.00 0.00 C ATOM 471 OE1 GLU A 32 14.387 7.397 -3.043 1.00 0.00 O ATOM 472 OE2 GLU A 32 12.855 6.621 -4.379 1.00 0.00 O ATOM 0 H GLU A 32 16.087 2.812 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 32 13.772 4.286 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.141 5.094 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.386 4.325 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.932 6.719 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.698 5.752 -5.819 1.00 0.00 H new ATOM 479 N LYS A 33 14.678 2.443 -5.865 1.00 0.00 N ATOM 480 CA LYS A 33 14.150 1.865 -7.096 1.00 0.00 C ATOM 481 C LYS A 33 13.105 0.791 -6.807 1.00 0.00 C ATOM 482 O LYS A 33 12.221 0.531 -7.635 1.00 0.00 O ATOM 483 CB LYS A 33 15.260 1.317 -8.008 1.00 0.00 C ATOM 484 CG LYS A 33 16.135 0.224 -7.391 1.00 0.00 C ATOM 485 CD LYS A 33 17.143 -0.329 -8.397 1.00 0.00 C ATOM 486 CE LYS A 33 18.092 0.750 -8.899 1.00 0.00 C ATOM 487 NZ LYS A 33 19.034 0.243 -9.911 1.00 0.00 N ATOM 0 H LYS A 33 15.654 2.220 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 33 13.662 2.677 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.801 0.923 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.901 2.145 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.666 0.627 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.503 -0.586 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.717 -1.131 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.611 -0.766 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.513 1.570 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.652 1.158 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.659 1.015 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.607 -0.522 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.503 -0.122 -10.727 1.00 0.00 H new ATOM 501 N LEU A 34 13.181 0.200 -5.624 1.00 0.00 N ATOM 502 CA LEU A 34 12.249 -0.822 -5.226 1.00 0.00 C ATOM 503 C LEU A 34 10.886 -0.190 -4.979 1.00 0.00 C ATOM 504 O LEU A 34 9.881 -0.673 -5.469 1.00 0.00 O ATOM 505 CB LEU A 34 12.788 -1.591 -3.985 1.00 0.00 C ATOM 506 CG LEU A 34 12.020 -2.851 -3.503 1.00 0.00 C ATOM 507 CD1 LEU A 34 12.932 -3.688 -2.628 1.00 0.00 C ATOM 508 CD2 LEU A 34 10.777 -2.482 -2.694 1.00 0.00 C ATOM 0 H LEU A 34 13.889 0.420 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 34 12.134 -1.557 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.814 -1.890 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.829 -0.889 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 34 11.706 -3.407 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.397 -4.574 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.808 -3.991 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.248 -3.101 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.267 -3.391 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.071 -1.905 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.104 -1.887 -3.312 1.00 0.00 H new ATOM 520 N LYS A 35 10.854 0.933 -4.283 1.00 0.00 N ATOM 521 CA LYS A 35 9.583 1.570 -4.010 1.00 0.00 C ATOM 522 C LYS A 35 9.003 2.241 -5.233 1.00 0.00 C ATOM 523 O LYS A 35 7.799 2.494 -5.312 1.00 0.00 O ATOM 524 CB LYS A 35 9.608 2.515 -2.806 1.00 0.00 C ATOM 525 CG LYS A 35 10.544 3.719 -2.835 1.00 0.00 C ATOM 526 CD LYS A 35 10.326 4.520 -1.548 1.00 0.00 C ATOM 527 CE LYS A 35 11.291 5.688 -1.355 1.00 0.00 C ATOM 528 NZ LYS A 35 11.180 6.750 -2.376 1.00 0.00 N ATOM 0 H LYS A 35 11.672 1.411 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 35 8.914 0.755 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.595 2.889 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.860 1.922 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.581 3.393 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.341 4.339 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.306 4.904 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.417 3.846 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.118 6.127 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.311 5.304 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.597 7.629 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.687 6.459 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.178 6.910 -2.603 1.00 0.00 H new ATOM 542 N ASN A 36 9.840 2.474 -6.203 1.00 0.00 N ATOM 543 CA ASN A 36 9.425 3.086 -7.412 1.00 0.00 C ATOM 544 C ASN A 36 8.755 2.082 -8.273 1.00 0.00 C ATOM 545 O ASN A 36 7.713 2.355 -8.861 1.00 0.00 O ATOM 546 CB ASN A 36 10.593 3.717 -8.152 1.00 0.00 C ATOM 547 CG ASN A 36 11.171 4.959 -7.494 1.00 0.00 C ATOM 548 OD1 ASN A 36 12.363 5.247 -7.632 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.348 5.722 -6.808 1.00 0.00 N ATOM 0 H ASN A 36 10.832 2.240 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 36 8.724 3.884 -7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.385 2.975 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.269 3.975 -9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.690 6.579 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.368 5.457 -6.712 1.00 0.00 H new ATOM 556 N VAL A 37 9.319 0.894 -8.320 1.00 0.00 N ATOM 557 CA VAL A 37 8.763 -0.143 -9.130 1.00 0.00 C ATOM 558 C VAL A 37 7.407 -0.591 -8.554 1.00 0.00 C ATOM 559 O VAL A 37 6.494 -0.897 -9.296 1.00 0.00 O ATOM 560 CB VAL A 37 9.755 -1.331 -9.350 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.963 -2.187 -8.115 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.345 -2.160 -10.529 1.00 0.00 C ATOM 0 H VAL A 37 10.160 0.633 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 37 8.585 0.262 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 37 10.725 -0.881 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.663 -2.991 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.366 -1.572 -7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.010 -2.614 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.051 -2.980 -10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.347 -2.564 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.338 -1.540 -11.425 1.00 0.00 H new ATOM 572 N ILE A 38 7.277 -0.535 -7.226 1.00 0.00 N ATOM 573 CA ILE A 38 6.021 -0.848 -6.532 1.00 0.00 C ATOM 574 C ILE A 38 4.941 0.108 -6.980 1.00 0.00 C ATOM 575 O ILE A 38 3.899 -0.316 -7.444 1.00 0.00 O ATOM 576 CB ILE A 38 6.190 -0.731 -4.990 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.225 -1.725 -4.460 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.868 -0.876 -4.253 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.011 -3.143 -4.935 1.00 0.00 C ATOM 0 H ILE A 38 8.038 -0.272 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 38 5.744 -1.873 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 38 6.560 0.275 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.219 -1.396 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.204 -1.710 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.038 -0.787 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.183 -0.093 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.434 -1.852 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.784 -3.787 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.032 -3.492 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.062 -3.174 -6.023 1.00 0.00 H new ATOM 591 N HIS A 39 5.226 1.393 -6.870 1.00 0.00 N ATOM 592 CA HIS A 39 4.306 2.453 -7.257 1.00 0.00 C ATOM 593 C HIS A 39 3.836 2.236 -8.706 1.00 0.00 C ATOM 594 O HIS A 39 2.662 2.417 -9.021 1.00 0.00 O ATOM 595 CB HIS A 39 5.027 3.806 -7.098 1.00 0.00 C ATOM 596 CG HIS A 39 4.191 5.042 -7.311 1.00 0.00 C ATOM 597 ND1 HIS A 39 3.793 5.895 -6.292 1.00 0.00 N ATOM 598 CD2 HIS A 39 3.743 5.603 -8.457 1.00 0.00 C ATOM 599 CE1 HIS A 39 3.138 6.915 -6.846 1.00 0.00 C ATOM 600 NE2 HIS A 39 3.077 6.787 -8.160 1.00 0.00 N ATOM 0 H HIS A 39 6.114 1.737 -6.505 1.00 0.00 H new ATOM 0 HA HIS A 39 3.422 2.443 -6.619 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.452 3.850 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.861 3.833 -7.799 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.970 5.765 -5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.881 5.195 -9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.712 7.739 -6.293 1.00 0.00 H new ATOM 608 N LYS A 40 4.747 1.791 -9.552 1.00 0.00 N ATOM 609 CA LYS A 40 4.436 1.544 -10.950 1.00 0.00 C ATOM 610 C LYS A 40 3.601 0.283 -11.137 1.00 0.00 C ATOM 611 O LYS A 40 2.576 0.310 -11.813 1.00 0.00 O ATOM 612 CB LYS A 40 5.701 1.470 -11.783 1.00 0.00 C ATOM 613 CG LYS A 40 6.527 2.731 -11.714 1.00 0.00 C ATOM 614 CD LYS A 40 7.711 2.688 -12.660 1.00 0.00 C ATOM 615 CE LYS A 40 7.272 2.762 -14.125 1.00 0.00 C ATOM 616 NZ LYS A 40 6.488 3.986 -14.412 1.00 0.00 N ATOM 0 H LYS A 40 5.714 1.592 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 40 3.839 2.387 -11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.304 0.628 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.435 1.273 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.900 3.589 -11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.883 2.876 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.383 3.518 -12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.274 1.770 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.152 2.737 -14.768 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.674 1.884 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.789 4.385 -15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.476 3.748 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.648 4.685 -13.659 1.00 0.00 H new ATOM 630 N ILE A 41 4.020 -0.814 -10.525 1.00 0.00 N ATOM 631 CA ILE A 41 3.297 -2.086 -10.635 1.00 0.00 C ATOM 632 C ILE A 41 1.894 -1.949 -10.057 1.00 0.00 C ATOM 633 O ILE A 41 0.924 -2.399 -10.643 1.00 0.00 O ATOM 634 CB ILE A 41 4.049 -3.253 -9.911 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.413 -3.510 -10.573 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.201 -4.534 -9.908 1.00 0.00 C ATOM 637 CD1 ILE A 41 6.265 -4.547 -9.859 1.00 0.00 C ATOM 0 H ILE A 41 4.858 -0.856 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 41 3.237 -2.331 -11.695 1.00 0.00 H new ATOM 0 HB ILE A 41 4.218 -2.956 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.250 -3.835 -11.601 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.965 -2.571 -10.619 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.745 -5.330 -9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.262 -4.347 -9.388 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.993 -4.835 -10.935 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.210 -4.669 -10.389 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.461 -4.217 -8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.736 -5.500 -9.836 1.00 0.00 H new ATOM 649 N PHE A 42 1.797 -1.256 -8.958 1.00 0.00 N ATOM 650 CA PHE A 42 0.551 -1.100 -8.254 1.00 0.00 C ATOM 651 C PHE A 42 -0.406 -0.128 -8.968 1.00 0.00 C ATOM 652 O PHE A 42 -1.592 -0.077 -8.647 1.00 0.00 O ATOM 653 CB PHE A 42 0.807 -0.646 -6.823 1.00 0.00 C ATOM 654 CG PHE A 42 1.390 -1.670 -5.854 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.310 -2.656 -6.228 1.00 0.00 C ATOM 656 CD2 PHE A 42 1.021 -1.598 -4.548 1.00 0.00 C ATOM 657 CE1 PHE A 42 2.820 -3.531 -5.277 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.513 -2.438 -3.599 1.00 0.00 C ATOM 659 CZ PHE A 42 2.424 -3.416 -3.950 1.00 0.00 C ATOM 0 H PHE A 42 2.585 -0.779 -8.520 1.00 0.00 H new ATOM 0 HA PHE A 42 0.062 -2.074 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.483 0.208 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.136 -0.290 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.624 -2.737 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.308 -0.843 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.522 -4.298 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.192 -2.341 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.824 -4.084 -3.201 1.00 0.00 H new ATOM 669 N SER A 43 0.100 0.614 -9.962 1.00 0.00 N ATOM 670 CA SER A 43 -0.717 1.542 -10.725 1.00 0.00 C ATOM 671 C SER A 43 -1.805 0.812 -11.542 1.00 0.00 C ATOM 672 O SER A 43 -2.767 1.432 -12.005 1.00 0.00 O ATOM 673 CB SER A 43 0.155 2.397 -11.644 1.00 0.00 C ATOM 674 OG SER A 43 1.009 3.280 -10.914 1.00 0.00 O ATOM 0 H SER A 43 1.078 0.583 -10.251 1.00 0.00 H new ATOM 0 HA SER A 43 -1.222 2.193 -10.011 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.762 1.747 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.483 2.979 -12.309 1.00 0.00 H new ATOM 0 HG SER A 43 1.522 2.768 -10.255 1.00 0.00 H new ATOM 680 N LYS A 44 -1.652 -0.500 -11.719 1.00 0.00 N ATOM 681 CA LYS A 44 -2.654 -1.292 -12.428 1.00 0.00 C ATOM 682 C LYS A 44 -3.942 -1.355 -11.632 1.00 0.00 C ATOM 683 O LYS A 44 -5.040 -1.384 -12.188 1.00 0.00 O ATOM 684 CB LYS A 44 -2.164 -2.717 -12.693 1.00 0.00 C ATOM 685 CG LYS A 44 -1.780 -3.513 -11.460 1.00 0.00 C ATOM 686 CD LYS A 44 -1.276 -4.908 -11.802 1.00 0.00 C ATOM 687 CE LYS A 44 0.048 -4.872 -12.552 1.00 0.00 C ATOM 688 NZ LYS A 44 0.569 -6.223 -12.805 1.00 0.00 N ATOM 0 H LYS A 44 -0.850 -1.033 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.832 -0.800 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.946 -3.259 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.301 -2.669 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.007 -2.975 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.644 -3.594 -10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.157 -5.485 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.021 -5.424 -12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.085 -4.350 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.777 -4.303 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.472 -6.157 -13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.720 -6.712 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.116 -6.758 -13.377 1.00 0.00 H new ATOM 702 N PHE A 45 -3.795 -1.359 -10.331 1.00 0.00 N ATOM 703 CA PHE A 45 -4.930 -1.467 -9.441 1.00 0.00 C ATOM 704 C PHE A 45 -5.618 -0.126 -9.296 1.00 0.00 C ATOM 705 O PHE A 45 -6.774 -0.057 -8.874 1.00 0.00 O ATOM 706 CB PHE A 45 -4.493 -1.986 -8.072 1.00 0.00 C ATOM 707 CG PHE A 45 -3.692 -3.258 -8.138 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.195 -4.386 -8.768 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.426 -3.318 -7.579 1.00 0.00 C ATOM 710 CE1 PHE A 45 -3.453 -5.546 -8.832 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.680 -4.476 -7.641 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.195 -5.590 -8.267 1.00 0.00 C ATOM 0 H PHE A 45 -2.894 -1.288 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.636 -2.177 -9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.900 -1.219 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.377 -2.155 -7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.178 -4.356 -9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.018 -2.447 -7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.856 -6.419 -9.324 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.695 -4.510 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.613 -6.499 -8.316 1.00 0.00 H new ATOM 722 N GLY A 46 -4.932 0.927 -9.691 1.00 0.00 N ATOM 723 CA GLY A 46 -5.497 2.232 -9.653 1.00 0.00 C ATOM 724 C GLY A 46 -4.467 3.302 -9.438 1.00 0.00 C ATOM 725 O GLY A 46 -3.270 3.015 -9.322 1.00 0.00 O ATOM 0 H GLY A 46 -3.975 0.888 -10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.024 2.423 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.237 2.280 -8.854 1.00 0.00 H new ATOM 729 N LYS A 47 -4.937 4.520 -9.398 1.00 0.00 N ATOM 730 CA LYS A 47 -4.129 5.697 -9.187 1.00 0.00 C ATOM 731 C LYS A 47 -3.555 5.714 -7.775 1.00 0.00 C ATOM 732 O LYS A 47 -4.301 5.863 -6.801 1.00 0.00 O ATOM 733 CB LYS A 47 -5.008 6.930 -9.373 1.00 0.00 C ATOM 734 CG LYS A 47 -4.284 8.250 -9.226 1.00 0.00 C ATOM 735 CD LYS A 47 -5.245 9.423 -9.319 1.00 0.00 C ATOM 736 CE LYS A 47 -5.886 9.564 -10.700 1.00 0.00 C ATOM 737 NZ LYS A 47 -4.894 9.863 -11.761 1.00 0.00 N ATOM 0 H LYS A 47 -5.928 4.730 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.305 5.693 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.463 6.889 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.820 6.894 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.766 8.278 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.524 8.338 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.029 9.303 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.712 10.342 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.412 8.642 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.632 10.358 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.390 10.082 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.317 10.680 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.278 9.037 -11.904 1.00 0.00 H new ATOM 751 N ILE A 48 -2.253 5.611 -7.664 1.00 0.00 N ATOM 752 CA ILE A 48 -1.606 5.623 -6.376 1.00 0.00 C ATOM 753 C ILE A 48 -1.641 7.062 -5.882 1.00 0.00 C ATOM 754 O ILE A 48 -0.966 7.928 -6.442 1.00 0.00 O ATOM 755 CB ILE A 48 -0.111 5.211 -6.481 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.095 3.902 -7.278 1.00 0.00 C ATOM 757 CG2 ILE A 48 0.514 5.098 -5.085 1.00 0.00 C ATOM 758 CD1 ILE A 48 -0.474 2.658 -6.642 1.00 0.00 C ATOM 0 H ILE A 48 -1.617 5.517 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.116 4.923 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 48 0.396 5.999 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.354 4.023 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.164 3.754 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.561 4.809 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.447 6.060 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.021 4.345 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.275 1.798 -7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.009 2.501 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.550 2.774 -6.515 1.00 0.00 H new ATOM 770 N THR A 49 -2.455 7.333 -4.898 1.00 0.00 N ATOM 771 CA THR A 49 -2.571 8.670 -4.397 1.00 0.00 C ATOM 772 C THR A 49 -1.410 8.967 -3.453 1.00 0.00 C ATOM 773 O THR A 49 -0.754 10.005 -3.559 1.00 0.00 O ATOM 774 CB THR A 49 -3.921 8.848 -3.704 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.931 8.375 -4.609 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.188 10.315 -3.379 1.00 0.00 C ATOM 0 H THR A 49 -3.045 6.645 -4.430 1.00 0.00 H new ATOM 0 HA THR A 49 -2.524 9.381 -5.222 1.00 0.00 H new ATOM 0 HB THR A 49 -3.927 8.293 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.236 9.115 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.156 10.408 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.407 10.689 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.192 10.897 -4.301 1.00 0.00 H new ATOM 784 N ASN A 50 -1.124 8.038 -2.577 1.00 0.00 N ATOM 785 CA ASN A 50 -0.015 8.181 -1.667 1.00 0.00 C ATOM 786 C ASN A 50 0.459 6.802 -1.266 1.00 0.00 C ATOM 787 O ASN A 50 -0.319 5.837 -1.307 1.00 0.00 O ATOM 788 CB ASN A 50 -0.421 9.004 -0.431 1.00 0.00 C ATOM 789 CG ASN A 50 0.757 9.383 0.458 1.00 0.00 C ATOM 790 OD1 ASN A 50 1.123 8.660 1.369 1.00 0.00 O ATOM 791 ND2 ASN A 50 1.367 10.508 0.188 1.00 0.00 N ATOM 0 H ASN A 50 -1.647 7.169 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 50 0.796 8.718 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.926 9.913 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.141 8.433 0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.170 10.799 0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.040 11.094 -0.580 1.00 0.00 H new ATOM 798 N ASP A 51 1.705 6.700 -0.921 1.00 0.00 N ATOM 799 CA ASP A 51 2.312 5.452 -0.524 1.00 0.00 C ATOM 800 C ASP A 51 3.095 5.640 0.769 1.00 0.00 C ATOM 801 O ASP A 51 3.575 6.742 1.062 1.00 0.00 O ATOM 802 CB ASP A 51 3.171 4.834 -1.659 1.00 0.00 C ATOM 803 CG ASP A 51 4.161 5.795 -2.317 1.00 0.00 C ATOM 804 OD1 ASP A 51 4.981 6.422 -1.635 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.153 5.928 -3.568 1.00 0.00 O ATOM 0 H ASP A 51 2.347 7.492 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 51 1.519 4.729 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.725 3.987 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.504 4.442 -2.427 1.00 0.00 H new ATOM 810 N PHE A 52 3.190 4.587 1.551 1.00 0.00 N ATOM 811 CA PHE A 52 3.795 4.640 2.870 1.00 0.00 C ATOM 812 C PHE A 52 4.719 3.461 3.055 1.00 0.00 C ATOM 813 O PHE A 52 4.264 2.319 3.250 1.00 0.00 O ATOM 814 CB PHE A 52 2.727 4.580 3.977 1.00 0.00 C ATOM 815 CG PHE A 52 1.725 5.699 3.990 1.00 0.00 C ATOM 816 CD1 PHE A 52 1.992 6.867 4.670 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.507 5.569 3.340 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.068 7.891 4.705 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.421 6.587 3.374 1.00 0.00 C ATOM 820 CZ PHE A 52 -0.140 7.752 4.059 1.00 0.00 C ATOM 0 H PHE A 52 2.848 3.662 1.290 1.00 0.00 H new ATOM 0 HA PHE A 52 4.342 5.580 2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.188 3.638 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.234 4.562 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.936 6.982 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.283 4.660 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.292 8.802 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.367 6.474 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.865 8.552 4.088 1.00 0.00 H new ATOM 830 N TYR A 53 5.983 3.695 2.913 1.00 0.00 N ATOM 831 CA TYR A 53 6.954 2.658 3.115 1.00 0.00 C ATOM 832 C TYR A 53 7.731 2.910 4.393 1.00 0.00 C ATOM 833 O TYR A 53 8.528 3.852 4.446 1.00 0.00 O ATOM 834 CB TYR A 53 7.929 2.584 1.958 1.00 0.00 C ATOM 835 CG TYR A 53 7.299 2.431 0.599 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.735 3.517 -0.036 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.300 1.222 -0.063 1.00 0.00 C ATOM 838 CE1 TYR A 53 6.194 3.411 -1.270 1.00 0.00 C ATOM 839 CE2 TYR A 53 6.740 1.105 -1.316 1.00 0.00 C ATOM 840 CZ TYR A 53 6.188 2.215 -1.912 1.00 0.00 C ATOM 841 OH TYR A 53 5.641 2.132 -3.165 1.00 0.00 O ATOM 0 H TYR A 53 6.374 4.601 2.656 1.00 0.00 H new ATOM 0 HA TYR A 53 6.415 1.713 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.539 3.488 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.604 1.744 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.725 4.474 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.745 0.357 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.765 4.280 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.734 0.152 -1.825 1.00 0.00 H new ATOM 0 HH TYR A 53 6.341 2.267 -3.837 1.00 0.00 H new ATOM 851 N PRO A 54 7.492 2.147 5.442 1.00 0.00 N ATOM 852 CA PRO A 54 8.281 2.240 6.648 1.00 0.00 C ATOM 853 C PRO A 54 9.406 1.195 6.658 1.00 0.00 C ATOM 854 O PRO A 54 9.527 0.402 5.730 1.00 0.00 O ATOM 855 CB PRO A 54 7.271 1.917 7.731 1.00 0.00 C ATOM 856 CG PRO A 54 6.305 0.955 7.088 1.00 0.00 C ATOM 857 CD PRO A 54 6.403 1.158 5.585 1.00 0.00 C ATOM 0 HA PRO A 54 8.767 3.209 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.753 1.470 8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.761 2.816 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.551 -0.073 7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.289 1.140 7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.636 0.227 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.467 1.529 5.168 1.00 0.00 H new ATOM 865 N GLU A 55 10.257 1.286 7.638 1.00 0.00 N ATOM 866 CA GLU A 55 11.291 0.309 7.961 1.00 0.00 C ATOM 867 C GLU A 55 11.942 0.773 9.232 1.00 0.00 C ATOM 868 O GLU A 55 11.502 1.769 9.815 1.00 0.00 O ATOM 869 CB GLU A 55 12.375 0.087 6.873 1.00 0.00 C ATOM 870 CG GLU A 55 13.249 1.264 6.554 1.00 0.00 C ATOM 871 CD GLU A 55 12.756 2.026 5.378 1.00 0.00 C ATOM 872 OE1 GLU A 55 13.161 1.692 4.248 1.00 0.00 O ATOM 873 OE2 GLU A 55 11.941 2.934 5.531 1.00 0.00 O ATOM 0 H GLU A 55 10.260 2.082 8.276 1.00 0.00 H new ATOM 0 HA GLU A 55 10.800 -0.660 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.014 -0.737 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.879 -0.229 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.296 1.925 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.265 0.919 6.361 1.00 0.00 H new ATOM 936 N THR A 60 15.505 -3.936 5.663 1.00 0.00 N ATOM 937 CA THR A 60 14.408 -4.531 4.966 1.00 0.00 C ATOM 938 C THR A 60 13.113 -4.597 5.819 1.00 0.00 C ATOM 939 O THR A 60 13.021 -5.347 6.791 1.00 0.00 O ATOM 940 CB THR A 60 14.809 -5.942 4.471 1.00 0.00 C ATOM 941 OG1 THR A 60 15.899 -5.833 3.540 1.00 0.00 O ATOM 942 CG2 THR A 60 13.655 -6.644 3.801 1.00 0.00 C ATOM 0 HA THR A 60 14.180 -3.892 4.113 1.00 0.00 H new ATOM 0 HB THR A 60 15.108 -6.529 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.482 -5.091 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.974 -7.631 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.833 -6.749 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.323 -6.060 2.943 1.00 0.00 H new ATOM 950 N LYS A 61 12.173 -3.729 5.483 1.00 0.00 N ATOM 951 CA LYS A 61 10.810 -3.778 5.993 1.00 0.00 C ATOM 952 C LYS A 61 10.104 -5.071 5.571 1.00 0.00 C ATOM 953 O LYS A 61 10.546 -5.771 4.653 1.00 0.00 O ATOM 954 CB LYS A 61 10.020 -2.607 5.428 1.00 0.00 C ATOM 955 CG LYS A 61 10.276 -2.386 3.939 1.00 0.00 C ATOM 956 CD LYS A 61 9.333 -1.382 3.324 1.00 0.00 C ATOM 957 CE LYS A 61 10.071 -0.456 2.397 1.00 0.00 C ATOM 958 NZ LYS A 61 10.949 0.467 3.158 1.00 0.00 N ATOM 0 H LYS A 61 12.337 -2.957 4.837 1.00 0.00 H new ATOM 0 HA LYS A 61 10.858 -3.734 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.956 -2.781 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.280 -1.701 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.302 -2.047 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.180 -3.336 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.547 -1.902 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.846 -0.805 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.669 -1.038 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.357 0.119 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.947 1.402 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.598 0.555 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.919 0.091 3.172 1.00 0.00 H new ATOM 972 N GLY A 62 9.013 -5.366 6.215 1.00 0.00 N ATOM 973 CA GLY A 62 8.253 -6.526 5.864 1.00 0.00 C ATOM 974 C GLY A 62 6.812 -6.197 5.607 1.00 0.00 C ATOM 975 O GLY A 62 5.970 -7.072 5.644 1.00 0.00 O ATOM 0 H GLY A 62 8.631 -4.818 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.684 -6.986 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.320 -7.260 6.667 1.00 0.00 H new ATOM 979 N TYR A 63 6.529 -4.932 5.356 1.00 0.00 N ATOM 980 CA TYR A 63 5.168 -4.472 5.108 1.00 0.00 C ATOM 981 C TYR A 63 5.200 -3.037 4.596 1.00 0.00 C ATOM 982 O TYR A 63 6.135 -2.287 4.926 1.00 0.00 O ATOM 983 CB TYR A 63 4.306 -4.578 6.404 1.00 0.00 C ATOM 984 CG TYR A 63 4.855 -3.802 7.605 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.795 -4.373 8.458 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.436 -2.507 7.878 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.300 -3.679 9.537 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.939 -1.806 8.960 1.00 0.00 C ATOM 989 CZ TYR A 63 5.870 -2.398 9.783 1.00 0.00 C ATOM 990 OH TYR A 63 6.390 -1.700 10.849 1.00 0.00 O ATOM 0 H TYR A 63 7.231 -4.193 5.318 1.00 0.00 H new ATOM 0 HA TYR A 63 4.710 -5.108 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.301 -4.218 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.216 -5.629 6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.136 -5.381 8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.705 -2.039 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.030 -4.140 10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.603 -0.799 9.158 1.00 0.00 H new ATOM 0 HH TYR A 63 5.984 -0.809 10.886 1.00 0.00 H new ATOM 1000 N ILE A 64 4.233 -2.676 3.762 1.00 0.00 N ATOM 1001 CA ILE A 64 4.073 -1.301 3.269 1.00 0.00 C ATOM 1002 C ILE A 64 2.583 -1.026 3.186 1.00 0.00 C ATOM 1003 O ILE A 64 1.774 -1.970 3.285 1.00 0.00 O ATOM 1004 CB ILE A 64 4.708 -1.030 1.844 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.901 -1.705 0.734 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.147 -1.499 1.793 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.388 -1.427 -0.669 1.00 0.00 C ATOM 0 H ILE A 64 3.533 -3.325 3.404 1.00 0.00 H new ATOM 0 HA ILE A 64 4.602 -0.647 3.963 1.00 0.00 H new ATOM 0 HB ILE A 64 4.683 0.047 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.914 -2.782 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.863 -1.382 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.559 -1.301 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.731 -0.965 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.188 -2.569 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.753 -1.949 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.348 -0.355 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.415 -1.777 -0.774 1.00 0.00 H new ATOM 1019 N PHE A 65 2.218 0.222 2.996 1.00 0.00 N ATOM 1020 CA PHE A 65 0.828 0.610 2.921 1.00 0.00 C ATOM 1021 C PHE A 65 0.652 1.565 1.771 1.00 0.00 C ATOM 1022 O PHE A 65 1.607 2.250 1.374 1.00 0.00 O ATOM 1023 CB PHE A 65 0.369 1.296 4.221 1.00 0.00 C ATOM 1024 CG PHE A 65 0.570 0.482 5.468 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.387 -0.425 5.884 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.720 0.634 6.226 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.201 -1.168 7.034 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.910 -0.102 7.374 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.948 -1.007 7.780 1.00 0.00 C ATOM 0 H PHE A 65 2.875 0.995 2.889 1.00 0.00 H new ATOM 0 HA PHE A 65 0.224 -0.286 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.907 2.238 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.689 1.542 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.289 -0.554 5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.476 1.338 5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.955 -1.874 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.810 0.028 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.095 -1.587 8.679 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.525 1.594 1.217 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.844 2.490 0.143 1.00 0.00 C ATOM 1041 C LEU A 66 -2.188 3.124 0.407 1.00 0.00 C ATOM 1042 O LEU A 66 -3.007 2.535 1.106 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.895 1.763 -1.192 1.00 0.00 C ATOM 1044 CG LEU A 66 0.406 1.170 -1.746 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.634 -0.242 -1.284 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.463 1.347 -3.252 1.00 0.00 C ATOM 0 H LEU A 66 -1.298 0.991 1.500 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.064 3.249 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.618 0.952 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.286 2.458 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 66 1.247 1.726 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.568 -0.616 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.691 -0.264 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.191 -0.872 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.391 0.922 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.385 0.838 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.423 2.409 -3.495 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.403 4.300 -0.151 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.639 5.043 0.011 1.00 0.00 C ATOM 1060 C GLU A 67 -4.149 5.486 -1.369 1.00 0.00 C ATOM 1061 O GLU A 67 -3.375 6.048 -2.179 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.356 6.265 0.901 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.534 7.191 1.163 1.00 0.00 C ATOM 1064 CD GLU A 67 -5.657 6.542 1.931 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -5.544 6.392 3.171 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -6.694 6.242 1.332 1.00 0.00 O ATOM 0 H GLU A 67 -1.715 4.773 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.403 4.423 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.979 5.910 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.558 6.847 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.184 8.062 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.919 7.553 0.210 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.404 5.191 -1.662 1.00 0.00 N ATOM 1074 CA TYR A 68 -6.015 5.593 -2.929 1.00 0.00 C ATOM 1075 C TYR A 68 -6.983 6.779 -2.766 1.00 0.00 C ATOM 1076 O TYR A 68 -7.205 7.272 -1.662 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.703 4.410 -3.613 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.741 3.363 -4.139 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -5.294 2.331 -3.339 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -5.288 3.414 -5.447 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -4.428 1.385 -3.833 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -4.416 2.469 -5.945 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.990 1.456 -5.131 1.00 0.00 C ATOM 1084 OH TYR A 68 -3.135 0.489 -5.615 1.00 0.00 O ATOM 0 H TYR A 68 -6.026 4.673 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.204 5.934 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.385 3.940 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.308 4.782 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.628 2.266 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.625 4.212 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.090 0.581 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.073 2.528 -6.967 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.919 0.682 -6.551 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.524 7.247 -3.885 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.426 8.395 -3.908 1.00 0.00 C ATOM 1096 C ALA A 69 -9.849 7.989 -3.549 1.00 0.00 C ATOM 1097 O ALA A 69 -10.563 8.715 -2.852 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.375 9.084 -5.263 1.00 0.00 C ATOM 0 H ALA A 69 -7.350 6.841 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.091 9.105 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.053 9.937 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.359 9.428 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.676 8.381 -6.040 1.00 0.00 H new ATOM 1104 N SER A 70 -10.237 6.840 -3.998 1.00 0.00 N ATOM 1105 CA SER A 70 -11.509 6.263 -3.697 1.00 0.00 C ATOM 1106 C SER A 70 -11.072 4.947 -3.220 1.00 0.00 C ATOM 1107 O SER A 70 -10.032 4.493 -3.732 1.00 0.00 O ATOM 1108 CB SER A 70 -12.348 6.141 -4.979 1.00 0.00 C ATOM 1109 OG SER A 70 -13.651 5.637 -4.722 1.00 0.00 O ATOM 0 H SER A 70 -9.659 6.257 -4.604 1.00 0.00 H new ATOM 0 HA SER A 70 -12.133 6.820 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.426 7.119 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.838 5.484 -5.683 1.00 0.00 H new ATOM 0 HG SER A 70 -14.150 5.577 -5.563 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.718 4.288 -2.232 1.00 0.00 N ATOM 1116 CA PRO A 71 -11.087 3.103 -1.718 1.00 0.00 C ATOM 1117 C PRO A 71 -10.986 2.047 -2.793 1.00 0.00 C ATOM 1118 O PRO A 71 -9.895 1.541 -2.971 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.070 2.667 -0.619 1.00 0.00 C ATOM 1120 CG PRO A 71 -12.822 3.907 -0.275 1.00 0.00 C ATOM 1121 CD PRO A 71 -12.956 4.650 -1.556 1.00 0.00 C ATOM 0 HA PRO A 71 -10.069 3.262 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.739 1.883 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.544 2.269 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.799 3.671 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.288 4.498 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.837 4.341 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.039 5.726 -1.400 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.146 1.670 -3.448 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.407 1.189 -4.879 1.00 0.00 C ATOM 1131 C ALA A 72 -11.285 0.501 -5.670 1.00 0.00 C ATOM 1132 O ALA A 72 -11.462 0.148 -6.847 1.00 0.00 O ATOM 1133 CB ALA A 72 -12.980 2.293 -5.691 1.00 0.00 C ATOM 0 H ALA A 72 -13.026 1.696 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.102 0.367 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.162 1.941 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.920 2.621 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.279 3.128 -5.716 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.233 0.300 -5.072 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.054 -0.133 -5.707 1.00 0.00 C ATOM 1141 C HIS A 73 -8.497 -1.309 -4.997 1.00 0.00 C ATOM 1142 O HIS A 73 -8.018 -2.264 -5.617 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.063 1.065 -5.819 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.521 2.135 -6.779 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -8.334 2.077 -8.135 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -9.198 3.285 -6.552 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -8.886 3.157 -8.684 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -9.429 3.927 -7.763 1.00 0.00 N ATOM 0 H HIS A 73 -10.131 0.431 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.260 -0.468 -6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.927 1.507 -4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.090 0.693 -6.139 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.853 1.332 -8.639 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.509 3.647 -5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.888 3.373 -9.742 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.619 -1.285 -3.677 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.163 -2.381 -2.883 1.00 0.00 C ATOM 1158 C ALA A 74 -9.058 -3.563 -3.100 1.00 0.00 C ATOM 1159 O ALA A 74 -8.613 -4.693 -3.016 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.071 -2.021 -1.416 1.00 0.00 C ATOM 0 H ALA A 74 -9.030 -0.515 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.152 -2.637 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.720 -2.884 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.372 -1.195 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.055 -1.724 -1.052 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.316 -3.303 -3.463 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.240 -4.386 -3.759 1.00 0.00 C ATOM 1168 C VAL A 75 -10.728 -5.222 -4.962 1.00 0.00 C ATOM 1169 O VAL A 75 -10.921 -6.445 -5.024 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.688 -3.859 -4.010 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -12.764 -2.922 -5.214 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.685 -4.999 -4.140 1.00 0.00 C ATOM 0 H VAL A 75 -10.708 -2.366 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.285 -5.035 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.961 -3.275 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.791 -2.583 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.116 -2.061 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.439 -3.452 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.681 -4.593 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.402 -5.636 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.688 -5.586 -3.222 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.037 -4.564 -5.888 1.00 0.00 N ATOM 1183 CA ASP A 76 -9.468 -5.247 -7.046 1.00 0.00 C ATOM 1184 C ASP A 76 -8.129 -5.857 -6.675 1.00 0.00 C ATOM 1185 O ASP A 76 -7.820 -6.994 -7.044 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.302 -4.298 -8.235 1.00 0.00 C ATOM 1187 CG ASP A 76 -8.874 -5.023 -9.502 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -9.760 -5.591 -10.193 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -7.665 -5.037 -9.833 1.00 0.00 O ATOM 0 H ASP A 76 -9.858 -3.560 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.159 -6.035 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.244 -3.780 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.562 -3.537 -7.988 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.360 -5.112 -5.895 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.041 -5.540 -5.450 1.00 0.00 C ATOM 1196 C ALA A 77 -6.119 -6.793 -4.582 1.00 0.00 C ATOM 1197 O ALA A 77 -5.405 -7.745 -4.815 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.329 -4.417 -4.708 1.00 0.00 C ATOM 0 H ALA A 77 -7.633 -4.191 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.462 -5.789 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.346 -4.760 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.214 -3.559 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.916 -4.127 -3.837 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.025 -6.810 -3.623 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.205 -7.922 -2.731 1.00 0.00 C ATOM 1206 C VAL A 78 -7.706 -9.175 -3.493 1.00 0.00 C ATOM 1207 O VAL A 78 -7.486 -10.320 -3.077 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.168 -7.496 -1.583 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.582 -8.651 -0.752 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -7.506 -6.444 -0.697 1.00 0.00 C ATOM 0 H VAL A 78 -7.664 -6.035 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.248 -8.202 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.059 -7.076 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.253 -8.310 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.097 -9.382 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.701 -9.112 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.191 -6.156 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.595 -6.856 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.258 -5.568 -1.296 1.00 0.00 H new ATOM 1220 N LYS A 79 -8.309 -8.949 -4.631 1.00 0.00 N ATOM 1221 CA LYS A 79 -8.827 -10.024 -5.438 1.00 0.00 C ATOM 1222 C LYS A 79 -7.722 -10.629 -6.323 1.00 0.00 C ATOM 1223 O LYS A 79 -7.654 -11.843 -6.492 1.00 0.00 O ATOM 1224 CB LYS A 79 -9.975 -9.500 -6.323 1.00 0.00 C ATOM 1225 CG LYS A 79 -10.682 -10.563 -7.178 1.00 0.00 C ATOM 1226 CD LYS A 79 -11.398 -11.613 -6.327 1.00 0.00 C ATOM 1227 CE LYS A 79 -12.503 -10.994 -5.480 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.183 -11.990 -4.630 1.00 0.00 N ATOM 0 H LYS A 79 -8.455 -8.019 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.201 -10.804 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.716 -9.021 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.579 -8.729 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.404 -10.077 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.951 -11.056 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.823 -12.379 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.676 -12.109 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.080 -10.211 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.234 -10.517 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.926 -11.522 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.611 -12.724 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.492 -12.427 -3.987 1.00 0.00 H new ATOM 1242 N ASN A 80 -6.846 -9.782 -6.844 1.00 0.00 N ATOM 1243 CA ASN A 80 -5.880 -10.222 -7.866 1.00 0.00 C ATOM 1244 C ASN A 80 -4.434 -10.275 -7.385 1.00 0.00 C ATOM 1245 O ASN A 80 -3.617 -11.024 -7.929 1.00 0.00 O ATOM 1246 CB ASN A 80 -5.950 -9.318 -9.105 1.00 0.00 C ATOM 1247 CG ASN A 80 -7.291 -9.345 -9.812 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -7.528 -10.169 -10.693 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -8.166 -8.433 -9.465 1.00 0.00 N ATOM 0 H ASN A 80 -6.776 -8.797 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.176 -11.243 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.728 -8.293 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.174 -9.621 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.073 -8.393 -9.930 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.940 -7.763 -8.730 1.00 0.00 H new ATOM 1256 N ALA A 81 -4.102 -9.490 -6.398 1.00 0.00 N ATOM 1257 CA ALA A 81 -2.724 -9.390 -5.941 1.00 0.00 C ATOM 1258 C ALA A 81 -2.491 -10.192 -4.681 1.00 0.00 C ATOM 1259 O ALA A 81 -1.415 -10.135 -4.089 1.00 0.00 O ATOM 1260 CB ALA A 81 -2.366 -7.934 -5.700 1.00 0.00 C ATOM 0 H ALA A 81 -4.762 -8.904 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.084 -9.803 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.333 -7.865 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.479 -7.373 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.028 -7.517 -4.941 1.00 0.00 H new ATOM 1266 N ASP A 82 -3.475 -10.950 -4.277 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.358 -11.703 -3.044 1.00 0.00 C ATOM 1268 C ASP A 82 -2.506 -12.916 -3.181 1.00 0.00 C ATOM 1269 O ASP A 82 -2.907 -13.927 -3.768 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.708 -12.022 -2.416 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.616 -12.918 -1.184 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.710 -12.730 -0.342 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -5.479 -13.811 -1.026 1.00 0.00 O ATOM 0 H ASP A 82 -4.359 -11.066 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.840 -11.042 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.200 -11.089 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.339 -12.507 -3.160 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.322 -12.783 -2.676 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.393 -13.871 -2.636 1.00 0.00 C ATOM 1280 C GLY A 83 0.294 -14.125 -3.951 1.00 0.00 C ATOM 1281 O GLY A 83 0.380 -15.276 -4.392 1.00 0.00 O ATOM 0 H GLY A 83 -0.968 -11.913 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.361 -13.667 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.918 -14.775 -2.329 1.00 0.00 H new ATOM 1285 N TYR A 84 0.785 -13.087 -4.599 1.00 0.00 N ATOM 1286 CA TYR A 84 1.514 -13.309 -5.819 1.00 0.00 C ATOM 1287 C TYR A 84 2.983 -13.120 -5.556 1.00 0.00 C ATOM 1288 O TYR A 84 3.389 -12.187 -4.835 1.00 0.00 O ATOM 1289 CB TYR A 84 0.998 -12.482 -7.017 1.00 0.00 C ATOM 1290 CG TYR A 84 1.378 -11.013 -7.096 1.00 0.00 C ATOM 1291 CD1 TYR A 84 0.804 -10.066 -6.272 1.00 0.00 C ATOM 1292 CD2 TYR A 84 2.280 -10.578 -8.059 1.00 0.00 C ATOM 1293 CE1 TYR A 84 1.114 -8.726 -6.403 1.00 0.00 C ATOM 1294 CE2 TYR A 84 2.605 -9.250 -8.188 1.00 0.00 C ATOM 1295 CZ TYR A 84 2.015 -8.326 -7.360 1.00 0.00 C ATOM 1296 OH TYR A 84 2.306 -6.989 -7.510 1.00 0.00 O ATOM 0 H TYR A 84 0.694 -12.113 -4.309 1.00 0.00 H new ATOM 0 HA TYR A 84 1.343 -14.339 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.347 -12.965 -7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.090 -12.544 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.102 -10.377 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.736 -11.300 -8.721 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.650 -7.996 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.319 -8.934 -8.935 1.00 0.00 H new ATOM 0 HH TYR A 84 3.219 -6.889 -7.852 1.00 0.00 H new ATOM 1306 N LYS A 85 3.768 -14.009 -6.087 1.00 0.00 N ATOM 1307 CA LYS A 85 5.170 -14.055 -5.802 1.00 0.00 C ATOM 1308 C LYS A 85 6.014 -13.577 -6.935 1.00 0.00 C ATOM 1309 O LYS A 85 5.841 -13.990 -8.081 1.00 0.00 O ATOM 1310 CB LYS A 85 5.637 -15.446 -5.272 1.00 0.00 C ATOM 1311 CG LYS A 85 5.010 -16.681 -5.934 1.00 0.00 C ATOM 1312 CD LYS A 85 3.565 -16.911 -5.470 1.00 0.00 C ATOM 1313 CE LYS A 85 2.969 -18.145 -6.091 1.00 0.00 C ATOM 1314 NZ LYS A 85 3.566 -19.371 -5.541 1.00 0.00 N ATOM 0 H LYS A 85 3.450 -14.729 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 85 5.320 -13.346 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.719 -15.509 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.429 -15.490 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.028 -16.560 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.610 -17.561 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.542 -17.003 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.958 -16.044 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.893 -18.155 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.120 -18.119 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.031 -20.198 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.554 -19.447 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.536 -19.336 -4.502 1.00 0.00 H new ATOM 1328 N LEU A 86 6.898 -12.680 -6.609 1.00 0.00 N ATOM 1329 CA LEU A 86 7.836 -12.132 -7.569 1.00 0.00 C ATOM 1330 C LEU A 86 8.971 -13.120 -7.766 1.00 0.00 C ATOM 1331 O LEU A 86 9.155 -13.666 -8.859 1.00 0.00 O ATOM 1332 CB LEU A 86 8.418 -10.784 -7.101 1.00 0.00 C ATOM 1333 CG LEU A 86 7.446 -9.613 -6.892 1.00 0.00 C ATOM 1334 CD1 LEU A 86 8.223 -8.377 -6.477 1.00 0.00 C ATOM 1335 CD2 LEU A 86 6.644 -9.337 -8.160 1.00 0.00 C ATOM 0 H LEU A 86 6.996 -12.300 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 86 7.301 -11.960 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.942 -10.955 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.165 -10.472 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 86 6.742 -9.878 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.533 -7.546 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.755 -8.577 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.940 -8.119 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.963 -8.504 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.325 -9.086 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.070 -10.224 -8.428 1.00 0.00 H new ATOM 1347 N ASP A 87 9.699 -13.376 -6.693 1.00 0.00 N ATOM 1348 CA ASP A 87 10.828 -14.289 -6.713 1.00 0.00 C ATOM 1349 C ASP A 87 11.034 -14.813 -5.301 1.00 0.00 C ATOM 1350 O ASP A 87 10.970 -14.040 -4.345 1.00 0.00 O ATOM 1351 CB ASP A 87 12.111 -13.558 -7.180 1.00 0.00 C ATOM 1352 CG ASP A 87 13.291 -14.493 -7.460 1.00 0.00 C ATOM 1353 OD1 ASP A 87 13.804 -15.148 -6.527 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.716 -14.595 -8.634 1.00 0.00 O ATOM 0 H ASP A 87 9.523 -12.955 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 87 10.627 -15.106 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.886 -12.992 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.405 -12.837 -6.417 1.00 0.00 H new ATOM 1359 N LYS A 88 11.217 -16.109 -5.187 1.00 0.00 N ATOM 1360 CA LYS A 88 11.518 -16.820 -3.948 1.00 0.00 C ATOM 1361 C LYS A 88 10.535 -16.546 -2.789 1.00 0.00 C ATOM 1362 O LYS A 88 9.483 -17.195 -2.703 1.00 0.00 O ATOM 1363 CB LYS A 88 12.979 -16.604 -3.543 1.00 0.00 C ATOM 1364 CG LYS A 88 13.445 -17.410 -2.330 1.00 0.00 C ATOM 1365 CD LYS A 88 14.907 -17.123 -1.983 1.00 0.00 C ATOM 1366 CE LYS A 88 15.865 -17.551 -3.095 1.00 0.00 C ATOM 1367 NZ LYS A 88 15.809 -19.005 -3.354 1.00 0.00 N ATOM 0 H LYS A 88 11.159 -16.734 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 88 11.372 -17.878 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.615 -16.855 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.129 -15.545 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.815 -17.173 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.322 -18.474 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.030 -16.057 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.168 -17.644 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.620 -17.011 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.883 -17.272 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.587 -19.275 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.900 -19.521 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.900 -19.243 -3.800 1.00 0.00 H new ATOM 1381 N GLN A 89 10.857 -15.585 -1.933 1.00 0.00 N ATOM 1382 CA GLN A 89 10.062 -15.311 -0.759 1.00 0.00 C ATOM 1383 C GLN A 89 9.285 -14.014 -0.923 1.00 0.00 C ATOM 1384 O GLN A 89 8.484 -13.646 -0.058 1.00 0.00 O ATOM 1385 CB GLN A 89 10.937 -15.247 0.535 1.00 0.00 C ATOM 1386 CG GLN A 89 11.725 -13.929 0.787 1.00 0.00 C ATOM 1387 CD GLN A 89 12.901 -13.637 -0.153 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.931 -14.053 -1.303 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.852 -12.872 0.327 1.00 0.00 N ATOM 0 H GLN A 89 11.672 -14.981 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 89 9.359 -16.137 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.288 -15.423 1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.652 -16.069 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.024 -13.097 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.104 -13.949 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.802 -12.539 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.642 -12.610 -0.263 1.00 0.00 H new ATOM 1398 N HIS A 90 9.509 -13.321 -2.024 1.00 0.00 N ATOM 1399 CA HIS A 90 8.831 -12.052 -2.246 1.00 0.00 C ATOM 1400 C HIS A 90 7.430 -12.339 -2.725 1.00 0.00 C ATOM 1401 O HIS A 90 7.206 -12.556 -3.910 1.00 0.00 O ATOM 1402 CB HIS A 90 9.515 -11.184 -3.302 1.00 0.00 C ATOM 1403 CG HIS A 90 11.012 -11.023 -3.195 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.728 -11.034 -2.017 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.932 -10.879 -4.181 1.00 0.00 C ATOM 1406 CE1 HIS A 90 13.022 -10.899 -2.323 1.00 0.00 C ATOM 1407 NE2 HIS A 90 13.200 -10.799 -3.624 1.00 0.00 N ATOM 0 H HIS A 90 10.144 -13.607 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 90 8.848 -11.507 -1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.289 -11.603 -4.283 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.065 -10.192 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.711 -10.834 -5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.820 -10.875 -1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 90 14.085 -10.686 -4.119 1.00 0.00 H new ATOM 1415 N THR A 91 6.533 -12.425 -1.822 1.00 0.00 N ATOM 1416 CA THR A 91 5.162 -12.740 -2.122 1.00 0.00 C ATOM 1417 C THR A 91 4.269 -11.773 -1.394 1.00 0.00 C ATOM 1418 O THR A 91 4.299 -11.711 -0.183 1.00 0.00 O ATOM 1419 CB THR A 91 4.841 -14.170 -1.669 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.928 -15.038 -2.051 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.584 -14.645 -2.353 1.00 0.00 C ATOM 0 H THR A 91 6.717 -12.279 -0.830 1.00 0.00 H new ATOM 0 HA THR A 91 4.999 -12.663 -3.197 1.00 0.00 H new ATOM 0 HB THR A 91 4.703 -14.186 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.732 -15.954 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.356 -15.661 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.756 -13.987 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.730 -14.631 -3.433 1.00 0.00 H new ATOM 1429 N PHE A 92 3.476 -11.041 -2.110 1.00 0.00 N ATOM 1430 CA PHE A 92 2.658 -10.037 -1.474 1.00 0.00 C ATOM 1431 C PHE A 92 1.399 -10.631 -0.936 1.00 0.00 C ATOM 1432 O PHE A 92 0.500 -10.971 -1.695 1.00 0.00 O ATOM 1433 CB PHE A 92 2.308 -8.909 -2.430 1.00 0.00 C ATOM 1434 CG PHE A 92 3.496 -8.235 -3.011 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.202 -7.311 -2.275 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.902 -8.523 -4.295 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.303 -6.685 -2.814 1.00 0.00 C ATOM 1438 CE2 PHE A 92 4.994 -7.906 -4.840 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.698 -6.985 -4.101 1.00 0.00 C ATOM 0 H PHE A 92 3.372 -11.111 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 92 3.246 -9.629 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.694 -9.306 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.703 -8.171 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.890 -7.076 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.351 -9.245 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.855 -5.962 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.302 -8.142 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.561 -6.496 -4.528 1.00 0.00 H new ATOM 1449 N ARG A 93 1.333 -10.804 0.354 1.00 0.00 N ATOM 1450 CA ARG A 93 0.097 -11.248 0.941 1.00 0.00 C ATOM 1451 C ARG A 93 -0.700 -10.028 1.287 1.00 0.00 C ATOM 1452 O ARG A 93 -0.322 -9.267 2.172 1.00 0.00 O ATOM 1453 CB ARG A 93 0.263 -12.180 2.168 1.00 0.00 C ATOM 1454 CG ARG A 93 0.886 -13.542 1.857 1.00 0.00 C ATOM 1455 CD ARG A 93 2.409 -13.518 1.877 1.00 0.00 C ATOM 1456 NE ARG A 93 2.931 -13.405 3.246 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.502 -14.409 3.944 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.596 -15.633 3.430 1.00 0.00 N ATOM 1459 NH2 ARG A 93 3.962 -14.175 5.154 1.00 0.00 N ATOM 0 H ARG A 93 2.100 -10.649 1.008 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.420 -11.869 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.881 -11.674 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.715 -12.338 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.530 -14.273 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.546 -13.876 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.794 -14.427 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.768 -12.680 1.280 1.00 0.00 H new ATOM 0 HE ARG A 93 2.856 -12.497 3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.234 -15.823 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.030 -16.381 3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.885 -13.241 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.395 -14.927 5.689 1.00 0.00 H new ATOM 1473 N VAL A 94 -1.755 -9.806 0.551 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.568 -8.631 0.726 1.00 0.00 C ATOM 1475 C VAL A 94 -3.710 -8.962 1.669 1.00 0.00 C ATOM 1476 O VAL A 94 -4.216 -10.100 1.657 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.142 -8.132 -0.643 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -2.072 -7.887 -1.674 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.200 -9.034 -1.181 1.00 0.00 C ATOM 0 H VAL A 94 -2.076 -10.433 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.951 -7.835 1.143 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.606 -7.170 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.532 -7.543 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.381 -7.128 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.528 -8.813 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.564 -8.642 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.785 -10.030 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.026 -9.090 -0.472 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.100 -8.038 2.507 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.236 -8.300 3.363 1.00 0.00 C ATOM 1491 C ASN A 95 -5.843 -6.996 3.834 1.00 0.00 C ATOM 1492 O ASN A 95 -5.442 -5.927 3.363 1.00 0.00 O ATOM 1493 CB ASN A 95 -4.875 -9.259 4.558 1.00 0.00 C ATOM 1494 CG ASN A 95 -4.292 -8.613 5.809 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.495 -9.112 6.908 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.561 -7.567 5.658 1.00 0.00 N ATOM 0 H ASN A 95 -3.666 -7.122 2.618 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.987 -8.830 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.778 -9.799 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.162 -10.000 4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.128 -7.126 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.413 -7.178 4.727 1.00 0.00 H new