USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 80 HIS : no HE2:sc= -2.53 K(o=-11,f=-13!) USER MOD Set 1.2: A 81 ASN : amide:sc= -7.39! C(o=-11!,f=-12!) USER MOD Set 1.3: A 85 CYS SG : rot 88:sc= -0.619 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.762 X(o=-1.4,f=-1.8) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.64 X(o=-1.4,f=-0.99) USER MOD Single : A 22 GLN : amide:sc= -0.861 K(o=-0.86,f=-2.1!) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0201 F(o=-0.65,f=-0.02) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 23:sc= 0.356 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.34 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0107 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.108 (180deg=-0.754) USER MOD Single : A 54 HIS : no HD1:sc= -0.0845 K(o=-0.085,f=-1.7) USER MOD Single : A 57 SER OG : rot 88:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 179:sc= 0 (180deg=-0.00203) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.172 F(o=-1.1,f=-0.17) USER MOD Single : A 74 GLN : amide:sc= -2.2! C(o=-2.2!,f=-3.6!) USER MOD Single : A 75 CYS SG : rot 52:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 35:sc= 0.776 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=-3.75e-05 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -63:sc= 0.227 USER MOD Single : A 93 CYS SG : rot 150:sc= -0.983 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -4.406 -1.606 -13.296 1.00 1.00 N ATOM 224 CA ARG A 15 -4.177 -2.865 -14.000 1.00 1.00 C ATOM 225 C ARG A 15 -3.541 -3.892 -13.078 1.00 1.00 C ATOM 226 O ARG A 15 -2.806 -3.540 -12.153 1.00 1.00 O ATOM 227 CB ARG A 15 -3.241 -2.609 -15.206 1.00 1.00 C ATOM 228 CG ARG A 15 -1.917 -1.966 -14.753 1.00 1.00 C ATOM 229 CD ARG A 15 -1.010 -1.754 -15.971 1.00 1.00 C ATOM 230 NE ARG A 15 0.244 -1.123 -15.567 1.00 1.00 N ATOM 231 CZ ARG A 15 0.306 0.165 -15.219 1.00 1.00 C ATOM 232 NH1 ARG A 15 -0.767 0.912 -15.244 1.00 1.00 N ATOM 233 NH2 ARG A 15 1.445 0.680 -14.851 1.00 1.00 N ATOM 0 HA ARG A 15 -5.136 -3.254 -14.343 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -3.036 -3.550 -15.717 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.738 -1.957 -15.924 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -2.112 -1.013 -14.261 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -1.421 -2.605 -14.023 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -0.805 -2.711 -16.451 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -1.518 -1.131 -16.707 1.00 1.00 H new ATOM 0 HE ARG A 15 1.097 -1.682 -15.550 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -1.660 0.512 -15.531 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -0.711 1.895 -14.977 1.00 1.00 H new ATOM 0 HH21 ARG A 15 2.284 0.100 -14.830 1.00 1.00 H new ATOM 0 HH22 ARG A 15 1.498 1.663 -14.584 1.00 1.00 H new ATOM 247 N LEU A 16 -3.786 -5.172 -13.383 1.00 1.00 N ATOM 248 CA LEU A 16 -3.203 -6.297 -12.638 1.00 1.00 C ATOM 249 C LEU A 16 -2.302 -7.069 -13.606 1.00 1.00 C ATOM 250 O LEU A 16 -2.763 -7.620 -14.607 1.00 1.00 O ATOM 251 CB LEU A 16 -4.327 -7.202 -12.053 1.00 1.00 C ATOM 252 CG LEU A 16 -3.781 -8.559 -11.525 1.00 1.00 C ATOM 253 CD1 LEU A 16 -2.676 -8.320 -10.476 1.00 1.00 C ATOM 254 CD2 LEU A 16 -4.942 -9.358 -10.894 1.00 1.00 C ATOM 0 H LEU A 16 -4.393 -5.458 -14.152 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.615 -5.942 -11.791 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -4.829 -6.675 -11.241 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -5.076 -7.389 -12.822 1.00 1.00 H new ATOM 0 HG LEU A 16 -3.354 -9.123 -12.354 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -2.303 -9.279 -10.115 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.858 -7.760 -10.930 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -3.084 -7.752 -9.640 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -4.567 -10.311 -10.521 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.369 -8.788 -10.069 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -5.710 -9.539 -11.646 1.00 1.00 H new ATOM 266 N GLY A 17 -1.011 -7.114 -13.270 1.00 1.00 N ATOM 267 CA GLY A 17 -0.017 -7.829 -14.062 1.00 1.00 C ATOM 268 C GLY A 17 0.026 -9.273 -13.601 1.00 1.00 C ATOM 269 O GLY A 17 -0.442 -9.595 -12.509 1.00 1.00 O ATOM 0 H GLY A 17 -0.629 -6.656 -12.443 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.270 -7.778 -15.121 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.963 -7.366 -13.946 1.00 1.00 H new ATOM 273 N ALA A 18 0.583 -10.142 -14.429 1.00 1.00 N ATOM 274 CA ALA A 18 0.674 -11.566 -14.092 1.00 1.00 C ATOM 275 C ALA A 18 1.562 -12.274 -15.106 1.00 1.00 C ATOM 276 O ALA A 18 1.089 -13.085 -15.904 1.00 1.00 O ATOM 277 CB ALA A 18 -0.735 -12.195 -14.099 1.00 1.00 C ATOM 0 H ALA A 18 0.979 -9.895 -15.336 1.00 1.00 H new ATOM 0 HA ALA A 18 1.107 -11.675 -13.098 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.662 -13.253 -13.848 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.362 -11.690 -13.364 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -1.177 -12.087 -15.089 1.00 1.00 H new ATOM 283 N ARG A 19 2.860 -11.954 -15.095 1.00 1.00 N ATOM 284 CA ARG A 19 3.790 -12.566 -16.049 1.00 1.00 C ATOM 285 C ARG A 19 4.043 -14.016 -15.647 1.00 1.00 C ATOM 286 O ARG A 19 4.489 -14.298 -14.535 1.00 1.00 O ATOM 287 CB ARG A 19 5.099 -11.768 -16.075 1.00 1.00 C ATOM 288 CG ARG A 19 6.050 -12.301 -17.162 1.00 1.00 C ATOM 289 CD ARG A 19 7.358 -11.493 -17.139 1.00 1.00 C ATOM 290 NE ARG A 19 8.083 -11.748 -15.893 1.00 1.00 N ATOM 291 CZ ARG A 19 9.234 -11.135 -15.614 1.00 1.00 C ATOM 292 NH1 ARG A 19 9.755 -10.288 -16.464 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.848 -11.385 -14.489 1.00 1.00 N ATOM 0 H ARG A 19 3.284 -11.288 -14.450 1.00 1.00 H new ATOM 0 HA ARG A 19 3.360 -12.552 -17.051 1.00 1.00 H new ATOM 0 HB2 ARG A 19 4.884 -10.716 -16.260 1.00 1.00 H new ATOM 0 HB3 ARG A 19 5.585 -11.828 -15.101 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.259 -13.357 -16.991 1.00 1.00 H new ATOM 0 HG3 ARG A 19 5.579 -12.224 -18.142 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.978 -11.766 -17.993 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.139 -10.429 -17.231 1.00 1.00 H new ATOM 0 HE ARG A 19 7.698 -12.412 -15.221 1.00 1.00 H new ATOM 0 HH11 ARG A 19 9.281 -10.093 -17.346 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.636 -9.822 -16.245 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.447 -12.048 -13.826 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.728 -10.917 -14.274 1.00 1.00 H new ATOM 307 N LEU A 20 3.748 -14.933 -16.567 1.00 1.00 N ATOM 308 CA LEU A 20 3.930 -16.362 -16.333 1.00 1.00 C ATOM 309 C LEU A 20 5.329 -16.779 -16.766 1.00 1.00 C ATOM 310 O LEU A 20 5.859 -16.261 -17.751 1.00 1.00 O ATOM 311 CB LEU A 20 2.882 -17.147 -17.143 1.00 1.00 C ATOM 312 CG LEU A 20 1.449 -16.644 -16.836 1.00 1.00 C ATOM 313 CD1 LEU A 20 0.448 -17.444 -17.687 1.00 1.00 C ATOM 314 CD2 LEU A 20 1.103 -16.816 -15.333 1.00 1.00 C ATOM 0 H LEU A 20 3.378 -14.707 -17.490 1.00 1.00 H new ATOM 0 HA LEU A 20 3.806 -16.576 -15.271 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.087 -17.042 -18.208 1.00 1.00 H new ATOM 0 HB3 LEU A 20 2.956 -18.209 -16.908 1.00 1.00 H new ATOM 0 HG LEU A 20 1.392 -15.583 -17.077 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -0.564 -17.098 -17.479 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.671 -17.298 -18.744 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.527 -18.503 -17.442 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.091 -16.454 -15.149 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.166 -17.870 -15.063 1.00 1.00 H new ATOM 0 HD23 LEU A 20 1.808 -16.244 -14.730 1.00 1.00 H new ATOM 326 N VAL A 21 5.919 -17.733 -16.034 1.00 1.00 N ATOM 327 CA VAL A 21 7.261 -18.251 -16.341 1.00 1.00 C ATOM 328 C VAL A 21 7.103 -19.611 -17.015 1.00 1.00 C ATOM 329 O VAL A 21 6.291 -20.434 -16.594 1.00 1.00 O ATOM 330 CB VAL A 21 8.095 -18.365 -15.050 1.00 1.00 C ATOM 331 CG1 VAL A 21 8.254 -16.970 -14.431 1.00 1.00 C ATOM 332 CG2 VAL A 21 7.395 -19.300 -14.037 1.00 1.00 C ATOM 0 H VAL A 21 5.485 -18.165 -15.219 1.00 1.00 H new ATOM 0 HA VAL A 21 7.787 -17.571 -17.011 1.00 1.00 H new ATOM 0 HB VAL A 21 9.073 -18.781 -15.293 1.00 1.00 H new ATOM 0 HG11 VAL A 21 8.843 -17.043 -13.517 1.00 1.00 H new ATOM 0 HG12 VAL A 21 8.761 -16.314 -15.138 1.00 1.00 H new ATOM 0 HG13 VAL A 21 7.271 -16.561 -14.197 1.00 1.00 H new ATOM 0 HG21 VAL A 21 7.997 -19.370 -13.131 1.00 1.00 H new ATOM 0 HG22 VAL A 21 6.412 -18.898 -13.790 1.00 1.00 H new ATOM 0 HG23 VAL A 21 7.282 -20.292 -14.475 1.00 1.00 H new ATOM 342 N GLN A 22 7.881 -19.834 -18.068 1.00 1.00 N ATOM 343 CA GLN A 22 7.835 -21.091 -18.813 1.00 1.00 C ATOM 344 C GLN A 22 8.548 -22.193 -18.023 1.00 1.00 C ATOM 345 O GLN A 22 9.648 -21.986 -17.514 1.00 1.00 O ATOM 346 CB GLN A 22 8.498 -20.894 -20.196 1.00 1.00 C ATOM 347 CG GLN A 22 9.958 -20.422 -20.036 1.00 1.00 C ATOM 348 CD GLN A 22 10.588 -20.124 -21.393 1.00 1.00 C ATOM 349 OE1 GLN A 22 9.941 -20.267 -22.431 1.00 1.00 O ATOM 350 NE2 GLN A 22 11.826 -19.703 -21.446 1.00 1.00 N ATOM 0 H GLN A 22 8.555 -19.158 -18.428 1.00 1.00 H new ATOM 0 HA GLN A 22 6.797 -21.391 -18.960 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.472 -21.830 -20.754 1.00 1.00 H new ATOM 0 HB3 GLN A 22 7.935 -20.162 -20.774 1.00 1.00 H new ATOM 0 HG2 GLN A 22 9.989 -19.528 -19.413 1.00 1.00 H new ATOM 0 HG3 GLN A 22 10.538 -21.189 -19.522 1.00 1.00 H new ATOM 0 HE21 GLN A 22 12.362 -19.585 -20.586 1.00 1.00 H new ATOM 0 HE22 GLN A 22 12.255 -19.493 -22.347 1.00 1.00 H new ATOM 359 N GLU A 23 7.920 -23.366 -17.923 1.00 1.00 N ATOM 360 CA GLU A 23 8.511 -24.504 -17.204 1.00 1.00 C ATOM 361 C GLU A 23 7.642 -25.747 -17.435 1.00 1.00 C ATOM 362 O GLU A 23 6.530 -25.837 -16.921 1.00 1.00 O ATOM 363 CB GLU A 23 8.637 -24.203 -15.675 1.00 1.00 C ATOM 364 CG GLU A 23 9.682 -25.125 -15.004 1.00 1.00 C ATOM 365 CD GLU A 23 9.261 -26.591 -15.095 1.00 1.00 C ATOM 366 OE1 GLU A 23 8.144 -26.892 -14.705 1.00 1.00 O ATOM 367 OE2 GLU A 23 10.059 -27.391 -15.557 1.00 1.00 O ATOM 0 H GLU A 23 7.004 -23.556 -18.329 1.00 1.00 H new ATOM 0 HA GLU A 23 9.516 -24.681 -17.587 1.00 1.00 H new ATOM 0 HB2 GLU A 23 8.922 -23.161 -15.530 1.00 1.00 H new ATOM 0 HB3 GLU A 23 7.668 -24.338 -15.195 1.00 1.00 H new ATOM 0 HG2 GLU A 23 10.651 -24.991 -15.484 1.00 1.00 H new ATOM 0 HG3 GLU A 23 9.803 -24.842 -13.958 1.00 1.00 H new ATOM 374 N GLY A 24 8.154 -26.701 -18.211 1.00 1.00 N ATOM 375 CA GLY A 24 7.413 -27.923 -18.503 1.00 1.00 C ATOM 376 C GLY A 24 6.248 -27.609 -19.424 1.00 1.00 C ATOM 377 O GLY A 24 6.234 -26.569 -20.084 1.00 1.00 O ATOM 0 H GLY A 24 9.075 -26.650 -18.646 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.071 -28.656 -18.970 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.047 -28.368 -17.577 1.00 1.00 H new ATOM 381 N ASN A 25 5.268 -28.513 -19.481 1.00 1.00 N ATOM 382 CA ASN A 25 4.098 -28.318 -20.346 1.00 1.00 C ATOM 383 C ASN A 25 3.021 -27.516 -19.613 1.00 1.00 C ATOM 384 O ASN A 25 1.913 -27.339 -20.121 1.00 1.00 O ATOM 385 CB ASN A 25 3.541 -29.689 -20.761 1.00 1.00 C ATOM 386 CG ASN A 25 2.366 -29.524 -21.723 1.00 1.00 C ATOM 387 OD1 ASN A 25 1.210 -29.581 -21.305 1.00 1.00 O ATOM 388 ND2 ASN A 25 2.596 -29.318 -22.990 1.00 1.00 N ATOM 0 H ASN A 25 5.258 -29.380 -18.945 1.00 1.00 H new ATOM 0 HA ASN A 25 4.398 -27.761 -21.234 1.00 1.00 H new ATOM 0 HB2 ASN A 25 4.326 -30.278 -21.235 1.00 1.00 H new ATOM 0 HB3 ASN A 25 3.219 -30.240 -19.877 1.00 1.00 H new ATOM 0 HD21 ASN A 25 1.816 -29.204 -23.638 1.00 1.00 H new ATOM 0 HD22 ASN A 25 3.555 -29.271 -23.333 1.00 1.00 H new ATOM 395 N GLN A 26 3.358 -27.038 -18.407 1.00 1.00 N ATOM 396 CA GLN A 26 2.430 -26.253 -17.571 1.00 1.00 C ATOM 397 C GLN A 26 3.093 -24.947 -17.137 1.00 1.00 C ATOM 398 O GLN A 26 4.253 -24.928 -16.734 1.00 1.00 O ATOM 399 CB GLN A 26 2.051 -27.075 -16.326 1.00 1.00 C ATOM 400 CG GLN A 26 1.366 -28.393 -16.741 1.00 1.00 C ATOM 401 CD GLN A 26 0.036 -28.120 -17.442 1.00 1.00 C ATOM 402 OE1 GLN A 26 -0.041 -28.171 -18.669 1.00 1.00 O ATOM 403 NE2 GLN A 26 -1.018 -27.824 -16.731 1.00 1.00 N ATOM 0 H GLN A 26 4.274 -27.182 -17.983 1.00 1.00 H new ATOM 0 HA GLN A 26 1.535 -26.021 -18.148 1.00 1.00 H new ATOM 0 HB2 GLN A 26 2.944 -27.291 -15.739 1.00 1.00 H new ATOM 0 HB3 GLN A 26 1.383 -26.495 -15.689 1.00 1.00 H new ATOM 0 HG2 GLN A 26 2.023 -28.955 -17.405 1.00 1.00 H new ATOM 0 HG3 GLN A 26 1.197 -29.012 -15.860 1.00 1.00 H new ATOM 0 HE21 GLN A 26 -0.952 -27.782 -15.714 1.00 1.00 H new ATOM 0 HE22 GLN A 26 -1.908 -27.634 -17.192 1.00 1.00 H new ATOM 412 N LEU A 27 2.336 -23.852 -17.214 1.00 1.00 N ATOM 413 CA LEU A 27 2.833 -22.533 -16.822 1.00 1.00 C ATOM 414 C LEU A 27 2.556 -22.320 -15.324 1.00 1.00 C ATOM 415 O LEU A 27 1.428 -22.483 -14.856 1.00 1.00 O ATOM 416 CB LEU A 27 2.119 -21.449 -17.672 1.00 1.00 C ATOM 417 CG LEU A 27 2.756 -21.328 -19.083 1.00 1.00 C ATOM 418 CD1 LEU A 27 2.680 -22.676 -19.836 1.00 1.00 C ATOM 419 CD2 LEU A 27 2.015 -20.238 -19.879 1.00 1.00 C ATOM 0 H LEU A 27 1.372 -23.853 -17.546 1.00 1.00 H new ATOM 0 HA LEU A 27 3.907 -22.462 -16.995 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.062 -21.697 -17.768 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.176 -20.488 -17.161 1.00 1.00 H new ATOM 0 HG LEU A 27 3.807 -21.058 -18.976 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.132 -22.568 -20.822 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.217 -23.439 -19.272 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.637 -22.973 -19.946 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.457 -20.148 -20.871 1.00 1.00 H new ATOM 0 HD22 LEU A 27 0.963 -20.508 -19.974 1.00 1.00 H new ATOM 0 HD23 LEU A 27 2.099 -19.285 -19.356 1.00 1.00 H new ATOM 431 N HIS A 28 3.607 -21.955 -14.589 1.00 1.00 N ATOM 432 CA HIS A 28 3.527 -21.709 -13.154 1.00 1.00 C ATOM 433 C HIS A 28 3.050 -20.284 -12.904 1.00 1.00 C ATOM 434 O HIS A 28 3.746 -19.325 -13.239 1.00 1.00 O ATOM 435 CB HIS A 28 4.938 -21.892 -12.558 1.00 1.00 C ATOM 436 CG HIS A 28 5.329 -23.344 -12.617 1.00 1.00 C ATOM 437 ND1 HIS A 28 5.454 -24.212 -13.668 1.00 1.00 N flip ATOM 438 CD2 HIS A 28 5.620 -24.078 -11.479 1.00 1.00 C flip ATOM 439 CE1 HIS A 28 5.817 -25.469 -13.196 1.00 1.00 C flip ATOM 440 NE2 HIS A 28 5.904 -25.332 -11.870 1.00 1.00 N flip ATOM 0 H HIS A 28 4.541 -21.822 -14.977 1.00 1.00 H new ATOM 0 HA HIS A 28 2.825 -22.402 -12.690 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.658 -21.289 -13.111 1.00 1.00 H new ATOM 0 HB3 HIS A 28 4.955 -21.542 -11.526 1.00 1.00 H new ATOM 0 HD2 HIS A 28 5.619 -23.710 -10.464 1.00 1.00 H new ATOM 0 HE1 HIS A 28 5.991 -26.363 -13.776 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.155 -26.087 -11.232 1.00 1.00 H new ATOM 449 N TYR A 29 1.876 -20.157 -12.282 1.00 1.00 N ATOM 450 CA TYR A 29 1.308 -18.850 -11.941 1.00 1.00 C ATOM 451 C TYR A 29 1.643 -18.561 -10.479 1.00 1.00 C ATOM 452 O TYR A 29 1.029 -19.113 -9.565 1.00 1.00 O ATOM 453 CB TYR A 29 -0.225 -18.862 -12.171 1.00 1.00 C ATOM 454 CG TYR A 29 -0.867 -17.641 -11.500 1.00 1.00 C ATOM 455 CD1 TYR A 29 -0.545 -16.359 -11.961 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.732 -17.786 -10.395 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.083 -15.231 -11.335 1.00 1.00 C ATOM 458 CE2 TYR A 29 -2.261 -16.654 -9.767 1.00 1.00 C ATOM 459 CZ TYR A 29 -1.937 -15.377 -10.238 1.00 1.00 C ATOM 460 OH TYR A 29 -2.453 -14.258 -9.616 1.00 1.00 O ATOM 0 H TYR A 29 1.297 -20.949 -12.003 1.00 1.00 H new ATOM 0 HA TYR A 29 1.728 -18.069 -12.574 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.441 -18.855 -13.239 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.655 -19.778 -11.765 1.00 1.00 H new ATOM 0 HD1 TYR A 29 0.121 -16.241 -12.803 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -1.986 -18.772 -10.034 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -0.838 -14.244 -11.700 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -2.920 -16.766 -8.918 1.00 1.00 H new ATOM 0 HH TYR A 29 -3.029 -14.533 -8.872 1.00 1.00 H new ATOM 470 N LEU A 30 2.627 -17.686 -10.275 1.00 1.00 N ATOM 471 CA LEU A 30 3.062 -17.298 -8.933 1.00 1.00 C ATOM 472 C LEU A 30 2.191 -16.134 -8.441 1.00 1.00 C ATOM 473 O LEU A 30 1.945 -15.172 -9.170 1.00 1.00 O ATOM 474 CB LEU A 30 4.559 -16.873 -8.979 1.00 1.00 C ATOM 475 CG LEU A 30 5.499 -18.108 -8.956 1.00 1.00 C ATOM 476 CD1 LEU A 30 5.215 -19.031 -10.160 1.00 1.00 C ATOM 477 CD2 LEU A 30 6.965 -17.632 -8.994 1.00 1.00 C ATOM 0 H LEU A 30 3.142 -17.229 -11.028 1.00 1.00 H new ATOM 0 HA LEU A 30 2.956 -18.138 -8.247 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.745 -16.289 -9.880 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.782 -16.228 -8.129 1.00 1.00 H new ATOM 0 HG LEU A 30 5.319 -18.673 -8.041 1.00 1.00 H new ATOM 0 HD11 LEU A 30 5.884 -19.891 -10.125 1.00 1.00 H new ATOM 0 HD12 LEU A 30 4.181 -19.374 -10.119 1.00 1.00 H new ATOM 0 HD13 LEU A 30 5.379 -18.481 -11.087 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.629 -18.496 -8.978 1.00 1.00 H new ATOM 0 HD22 LEU A 30 7.138 -17.059 -9.905 1.00 1.00 H new ATOM 0 HD23 LEU A 30 7.166 -17.004 -8.126 1.00 1.00 H new ATOM 489 N ALA A 31 1.741 -16.237 -7.189 1.00 1.00 N ATOM 490 CA ALA A 31 0.913 -15.210 -6.558 1.00 1.00 C ATOM 491 C ALA A 31 1.802 -14.107 -5.981 1.00 1.00 C ATOM 492 O ALA A 31 1.365 -12.970 -5.800 1.00 1.00 O ATOM 493 CB ALA A 31 0.093 -15.858 -5.437 1.00 1.00 C ATOM 0 H ALA A 31 1.941 -17.034 -6.585 1.00 1.00 H new ATOM 0 HA ALA A 31 0.244 -14.769 -7.297 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.529 -15.102 -4.958 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.542 -16.639 -5.855 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.766 -16.294 -4.699 1.00 1.00 H new ATOM 499 N ASP A 32 3.056 -14.466 -5.679 1.00 1.00 N ATOM 500 CA ASP A 32 4.020 -13.520 -5.099 1.00 1.00 C ATOM 501 C ASP A 32 4.512 -12.523 -6.151 1.00 1.00 C ATOM 502 O ASP A 32 5.172 -11.540 -5.811 1.00 1.00 O ATOM 503 CB ASP A 32 5.226 -14.286 -4.526 1.00 1.00 C ATOM 504 CG ASP A 32 4.774 -15.247 -3.429 1.00 1.00 C ATOM 505 OD1 ASP A 32 4.003 -14.827 -2.581 1.00 1.00 O ATOM 506 OD2 ASP A 32 5.205 -16.388 -3.453 1.00 1.00 O ATOM 0 H ASP A 32 3.428 -15.404 -5.826 1.00 1.00 H new ATOM 0 HA ASP A 32 3.517 -12.971 -4.303 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.724 -14.840 -5.321 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.954 -13.582 -4.124 1.00 1.00 H new ATOM 511 N ARG A 33 4.187 -12.780 -7.430 1.00 1.00 N ATOM 512 CA ARG A 33 4.598 -11.901 -8.548 1.00 1.00 C ATOM 513 C ARG A 33 3.399 -11.141 -9.096 1.00 1.00 C ATOM 514 O ARG A 33 3.459 -10.577 -10.189 1.00 1.00 O ATOM 515 CB ARG A 33 5.241 -12.727 -9.672 1.00 1.00 C ATOM 516 CG ARG A 33 6.526 -13.399 -9.158 1.00 1.00 C ATOM 517 CD ARG A 33 7.216 -14.149 -10.303 1.00 1.00 C ATOM 518 NE ARG A 33 8.424 -14.823 -9.816 1.00 1.00 N ATOM 519 CZ ARG A 33 9.348 -15.303 -10.654 1.00 1.00 C ATOM 520 NH1 ARG A 33 9.200 -15.161 -11.943 1.00 1.00 N ATOM 521 NH2 ARG A 33 10.405 -15.909 -10.186 1.00 1.00 N ATOM 0 H ARG A 33 3.640 -13.591 -7.720 1.00 1.00 H new ATOM 0 HA ARG A 33 5.329 -11.187 -8.168 1.00 1.00 H new ATOM 0 HB2 ARG A 33 4.541 -13.484 -10.025 1.00 1.00 H new ATOM 0 HB3 ARG A 33 5.471 -12.084 -10.522 1.00 1.00 H new ATOM 0 HG2 ARG A 33 7.200 -12.648 -8.746 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.287 -14.091 -8.350 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.531 -14.881 -10.732 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.477 -13.451 -11.099 1.00 1.00 H new ATOM 0 HE ARG A 33 8.563 -14.928 -8.811 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.378 -14.683 -12.312 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.906 -15.528 -12.581 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.527 -16.017 -9.179 1.00 1.00 H new ATOM 0 HH22 ARG A 33 11.109 -16.275 -10.827 1.00 1.00 H new ATOM 535 N ALA A 34 2.314 -11.101 -8.322 1.00 1.00 N ATOM 536 CA ALA A 34 1.114 -10.369 -8.734 1.00 1.00 C ATOM 537 C ALA A 34 0.342 -9.897 -7.500 1.00 1.00 C ATOM 538 O ALA A 34 0.044 -10.683 -6.601 1.00 1.00 O ATOM 539 CB ALA A 34 0.229 -11.295 -9.578 1.00 1.00 C ATOM 0 H ALA A 34 2.240 -11.562 -7.415 1.00 1.00 H new ATOM 0 HA ALA A 34 1.401 -9.498 -9.323 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.667 -10.758 -9.889 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.781 -11.622 -10.460 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.056 -12.165 -8.986 1.00 1.00 H new ATOM 545 N SER A 35 0.037 -8.596 -7.464 1.00 1.00 N ATOM 546 CA SER A 35 -0.685 -7.984 -6.344 1.00 1.00 C ATOM 547 C SER A 35 -2.187 -8.110 -6.566 1.00 1.00 C ATOM 548 O SER A 35 -2.621 -8.477 -7.642 1.00 1.00 O ATOM 549 CB SER A 35 -0.302 -6.501 -6.243 1.00 1.00 C ATOM 550 OG SER A 35 1.096 -6.396 -6.025 1.00 1.00 O ATOM 0 H SER A 35 0.282 -7.941 -8.206 1.00 1.00 H new ATOM 0 HA SER A 35 -0.418 -8.495 -5.419 1.00 1.00 H new ATOM 0 HB2 SER A 35 -0.580 -5.978 -7.158 1.00 1.00 H new ATOM 0 HB3 SER A 35 -0.847 -6.027 -5.426 1.00 1.00 H new ATOM 0 HG SER A 35 1.347 -5.451 -5.961 1.00 1.00 H new ATOM 556 N ILE A 36 -2.978 -7.785 -5.555 1.00 1.00 N ATOM 557 CA ILE A 36 -4.444 -7.831 -5.663 1.00 1.00 C ATOM 558 C ILE A 36 -4.976 -6.436 -5.968 1.00 1.00 C ATOM 559 O ILE A 36 -4.332 -5.440 -5.638 1.00 1.00 O ATOM 560 CB ILE A 36 -5.034 -8.358 -4.339 1.00 1.00 C ATOM 561 CG1 ILE A 36 -4.526 -7.498 -3.151 1.00 1.00 C ATOM 562 CG2 ILE A 36 -4.603 -9.826 -4.150 1.00 1.00 C ATOM 563 CD1 ILE A 36 -5.254 -7.886 -1.858 1.00 1.00 C ATOM 0 H ILE A 36 -2.636 -7.484 -4.643 1.00 1.00 H new ATOM 0 HA ILE A 36 -4.737 -8.500 -6.472 1.00 1.00 H new ATOM 0 HB ILE A 36 -6.122 -8.296 -4.372 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -3.452 -7.637 -3.027 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -4.688 -6.441 -3.364 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -5.015 -10.209 -3.216 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -4.974 -10.424 -4.982 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -3.515 -9.884 -4.118 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -4.886 -7.273 -1.035 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -6.325 -7.723 -1.980 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -5.070 -8.938 -1.638 1.00 1.00 H new ATOM 575 N THR A 37 -6.160 -6.372 -6.590 1.00 1.00 N ATOM 576 CA THR A 37 -6.805 -5.092 -6.934 1.00 1.00 C ATOM 577 C THR A 37 -8.277 -5.155 -6.546 1.00 1.00 C ATOM 578 O THR A 37 -8.976 -6.099 -6.913 1.00 1.00 O ATOM 579 CB THR A 37 -6.675 -4.844 -8.443 1.00 1.00 C ATOM 580 OG1 THR A 37 -7.325 -5.891 -9.150 1.00 1.00 O ATOM 581 CG2 THR A 37 -5.192 -4.806 -8.836 1.00 1.00 C ATOM 0 H THR A 37 -6.695 -7.194 -6.868 1.00 1.00 H new ATOM 0 HA THR A 37 -6.322 -4.277 -6.395 1.00 1.00 H new ATOM 0 HB THR A 37 -7.138 -3.890 -8.694 1.00 1.00 H new ATOM 0 HG1 THR A 37 -7.989 -6.316 -8.568 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.104 -4.630 -9.908 1.00 1.00 H new ATOM 0 HG22 THR A 37 -4.692 -4.003 -8.294 1.00 1.00 H new ATOM 0 HG23 THR A 37 -4.725 -5.758 -8.585 1.00 1.00 H new ATOM 589 N GLY A 38 -8.752 -4.160 -5.800 1.00 1.00 N ATOM 590 CA GLY A 38 -10.151 -4.143 -5.375 1.00 1.00 C ATOM 591 C GLY A 38 -10.496 -5.395 -4.564 1.00 1.00 C ATOM 592 O GLY A 38 -10.752 -6.460 -5.128 1.00 1.00 O ATOM 0 H GLY A 38 -8.198 -3.365 -5.481 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -10.341 -3.253 -4.775 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.799 -4.082 -6.249 1.00 1.00 H new ATOM 596 N LYS A 39 -10.500 -5.260 -3.239 1.00 1.00 N ATOM 597 CA LYS A 39 -10.814 -6.382 -2.355 1.00 1.00 C ATOM 598 C LYS A 39 -12.183 -6.978 -2.694 1.00 1.00 C ATOM 599 O LYS A 39 -13.219 -6.459 -2.273 1.00 1.00 O ATOM 600 CB LYS A 39 -10.815 -5.909 -0.892 1.00 1.00 C ATOM 601 CG LYS A 39 -9.426 -5.384 -0.503 1.00 1.00 C ATOM 602 CD LYS A 39 -9.444 -4.903 0.957 1.00 1.00 C ATOM 603 CE LYS A 39 -8.060 -4.377 1.353 1.00 1.00 C ATOM 604 NZ LYS A 39 -8.094 -3.909 2.769 1.00 1.00 N ATOM 0 H LYS A 39 -10.290 -4.387 -2.755 1.00 1.00 H new ATOM 0 HA LYS A 39 -10.053 -7.149 -2.496 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -11.559 -5.124 -0.757 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -11.097 -6.733 -0.236 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -8.681 -6.170 -0.628 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -9.138 -4.565 -1.162 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -10.190 -4.118 1.081 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -9.732 -5.723 1.615 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -7.313 -5.162 1.236 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -7.768 -3.559 0.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -7.155 -3.552 3.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -8.796 -3.147 2.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -8.355 -4.701 3.390 1.00 1.00 H new ATOM 618 N PHE A 40 -12.171 -8.082 -3.437 1.00 1.00 N ATOM 619 CA PHE A 40 -13.390 -8.775 -3.816 1.00 1.00 C ATOM 620 C PHE A 40 -14.016 -9.422 -2.580 1.00 1.00 C ATOM 621 O PHE A 40 -13.318 -9.974 -1.729 1.00 1.00 O ATOM 622 CB PHE A 40 -13.040 -9.876 -4.843 1.00 1.00 C ATOM 623 CG PHE A 40 -12.218 -9.266 -5.982 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.849 -8.736 -7.122 1.00 1.00 C ATOM 625 CD2 PHE A 40 -10.813 -9.224 -5.885 1.00 1.00 C ATOM 626 CE1 PHE A 40 -12.081 -8.176 -8.151 1.00 1.00 C ATOM 627 CE2 PHE A 40 -10.052 -8.665 -6.915 1.00 1.00 C ATOM 628 CZ PHE A 40 -10.685 -8.141 -8.047 1.00 1.00 C ATOM 0 H PHE A 40 -11.318 -8.516 -3.790 1.00 1.00 H new ATOM 0 HA PHE A 40 -14.096 -8.067 -4.251 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -12.476 -10.674 -4.360 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -13.952 -10.324 -5.237 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -13.926 -8.761 -7.204 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -10.322 -9.626 -5.011 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -12.567 -7.770 -9.026 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -8.975 -8.638 -6.837 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.096 -7.709 -8.842 1.00 1.00 H new ATOM 638 N SER A 41 -15.338 -9.352 -2.503 1.00 1.00 N ATOM 639 CA SER A 41 -16.081 -9.928 -1.392 1.00 1.00 C ATOM 640 C SER A 41 -16.021 -11.450 -1.449 1.00 1.00 C ATOM 641 O SER A 41 -15.567 -12.029 -2.436 1.00 1.00 O ATOM 642 CB SER A 41 -17.541 -9.478 -1.482 1.00 1.00 C ATOM 643 OG SER A 41 -18.277 -10.050 -0.410 1.00 1.00 O ATOM 0 H SER A 41 -15.922 -8.897 -3.205 1.00 1.00 H new ATOM 0 HA SER A 41 -15.640 -9.591 -0.454 1.00 1.00 H new ATOM 0 HB2 SER A 41 -17.601 -8.390 -1.440 1.00 1.00 H new ATOM 0 HB3 SER A 41 -17.969 -9.784 -2.436 1.00 1.00 H new ATOM 0 HG SER A 41 -19.212 -9.762 -0.465 1.00 1.00 H new ATOM 649 N ASP A 42 -16.504 -12.088 -0.390 1.00 1.00 N ATOM 650 CA ASP A 42 -16.535 -13.545 -0.316 1.00 1.00 C ATOM 651 C ASP A 42 -17.461 -14.118 -1.389 1.00 1.00 C ATOM 652 O ASP A 42 -17.335 -15.286 -1.742 1.00 1.00 O ATOM 653 CB ASP A 42 -17.006 -13.994 1.077 1.00 1.00 C ATOM 654 CG ASP A 42 -16.921 -15.517 1.216 1.00 1.00 C ATOM 655 OD1 ASP A 42 -16.014 -16.096 0.639 1.00 1.00 O ATOM 656 OD2 ASP A 42 -17.768 -16.079 1.890 1.00 1.00 O ATOM 0 H ASP A 42 -16.881 -11.618 0.433 1.00 1.00 H new ATOM 0 HA ASP A 42 -15.527 -13.920 -0.490 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -16.393 -13.520 1.843 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -18.032 -13.666 1.242 1.00 1.00 H new ATOM 661 N ALA A 43 -18.395 -13.304 -1.904 1.00 1.00 N ATOM 662 CA ALA A 43 -19.325 -13.761 -2.957 1.00 1.00 C ATOM 663 C ALA A 43 -18.738 -13.463 -4.346 1.00 1.00 C ATOM 664 O ALA A 43 -19.111 -14.091 -5.336 1.00 1.00 O ATOM 665 CB ALA A 43 -20.678 -13.065 -2.792 1.00 1.00 C ATOM 0 H ALA A 43 -18.529 -12.335 -1.615 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.468 -14.838 -2.864 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.360 -13.406 -3.571 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -21.095 -13.307 -1.814 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.545 -11.986 -2.873 1.00 1.00 H new ATOM 671 N GLU A 44 -17.814 -12.489 -4.406 1.00 1.00 N ATOM 672 CA GLU A 44 -17.158 -12.079 -5.669 1.00 1.00 C ATOM 673 C GLU A 44 -15.794 -12.775 -5.825 1.00 1.00 C ATOM 674 O GLU A 44 -15.339 -13.007 -6.937 1.00 1.00 O ATOM 675 CB GLU A 44 -16.988 -10.547 -5.673 1.00 1.00 C ATOM 676 CG GLU A 44 -18.372 -9.858 -5.585 1.00 1.00 C ATOM 677 CD GLU A 44 -19.219 -10.144 -6.830 1.00 1.00 C ATOM 678 OE1 GLU A 44 -18.740 -9.883 -7.922 1.00 1.00 O ATOM 679 OE2 GLU A 44 -20.330 -10.625 -6.672 1.00 1.00 O ATOM 0 H GLU A 44 -17.500 -11.965 -3.590 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.781 -12.377 -6.512 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -16.366 -10.240 -4.832 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.474 -10.233 -6.581 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.898 -10.208 -4.697 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -18.238 -8.782 -5.473 1.00 1.00 H new ATOM 686 N CYS A 45 -15.167 -13.147 -4.714 1.00 1.00 N ATOM 687 CA CYS A 45 -13.884 -13.867 -4.755 1.00 1.00 C ATOM 688 C CYS A 45 -14.051 -15.215 -5.511 1.00 1.00 C ATOM 689 O CYS A 45 -13.348 -15.455 -6.491 1.00 1.00 O ATOM 690 CB CYS A 45 -13.365 -14.080 -3.290 1.00 1.00 C ATOM 691 SG CYS A 45 -12.411 -15.622 -3.099 1.00 1.00 S ATOM 0 H CYS A 45 -15.519 -12.966 -3.774 1.00 1.00 H new ATOM 0 HA CYS A 45 -13.143 -13.280 -5.298 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -12.741 -13.234 -3.003 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -14.214 -14.096 -2.607 1.00 1.00 H new ATOM 0 HG CYS A 45 -12.011 -15.735 -1.867 1.00 1.00 H new ATOM 697 N PRO A 46 -14.943 -16.100 -5.081 1.00 1.00 N ATOM 698 CA PRO A 46 -15.143 -17.440 -5.748 1.00 1.00 C ATOM 699 C PRO A 46 -15.471 -17.315 -7.235 1.00 1.00 C ATOM 700 O PRO A 46 -14.963 -18.087 -8.038 1.00 1.00 O ATOM 701 CB PRO A 46 -16.324 -18.077 -4.947 1.00 1.00 C ATOM 702 CG PRO A 46 -17.016 -16.900 -4.336 1.00 1.00 C ATOM 703 CD PRO A 46 -15.874 -15.954 -3.943 1.00 1.00 C ATOM 0 HA PRO A 46 -14.238 -18.047 -5.727 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -16.992 -18.640 -5.599 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -15.964 -18.769 -4.186 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -17.698 -16.428 -5.043 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -17.608 -17.192 -3.468 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -16.218 -14.926 -3.828 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.412 -16.243 -2.999 1.00 1.00 H new ATOM 711 N LYS A 47 -16.326 -16.359 -7.598 1.00 1.00 N ATOM 712 CA LYS A 47 -16.715 -16.191 -9.000 1.00 1.00 C ATOM 713 C LYS A 47 -15.486 -15.975 -9.887 1.00 1.00 C ATOM 714 O LYS A 47 -15.438 -16.468 -11.014 1.00 1.00 O ATOM 715 CB LYS A 47 -17.687 -15.007 -9.135 1.00 1.00 C ATOM 716 CG LYS A 47 -18.995 -15.322 -8.390 1.00 1.00 C ATOM 717 CD LYS A 47 -19.958 -14.133 -8.508 1.00 1.00 C ATOM 718 CE LYS A 47 -21.264 -14.452 -7.776 1.00 1.00 C ATOM 719 NZ LYS A 47 -21.882 -15.664 -8.382 1.00 1.00 N ATOM 0 H LYS A 47 -16.758 -15.698 -6.952 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.214 -17.102 -9.332 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -17.234 -14.104 -8.727 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -17.894 -14.813 -10.187 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.455 -16.218 -8.807 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -18.786 -15.530 -7.341 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -19.501 -13.239 -8.084 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.161 -13.920 -9.558 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -21.069 -14.619 -6.717 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.949 -13.607 -7.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.897 -15.686 -8.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.757 -15.638 -9.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.424 -16.516 -7.999 1.00 1.00 H new ATOM 733 N LEU A 48 -14.487 -15.246 -9.392 1.00 1.00 N ATOM 734 CA LEU A 48 -13.262 -15.004 -10.171 1.00 1.00 C ATOM 735 C LEU A 48 -12.344 -16.247 -10.117 1.00 1.00 C ATOM 736 O LEU A 48 -11.585 -16.513 -11.042 1.00 1.00 O ATOM 737 CB LEU A 48 -12.557 -13.723 -9.631 1.00 1.00 C ATOM 738 CG LEU A 48 -13.082 -12.437 -10.347 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.624 -12.387 -11.843 1.00 1.00 C ATOM 740 CD2 LEU A 48 -14.636 -12.346 -10.241 1.00 1.00 C ATOM 0 H LEU A 48 -14.495 -14.815 -8.467 1.00 1.00 H new ATOM 0 HA LEU A 48 -13.508 -14.835 -11.219 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -12.726 -13.638 -8.558 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -11.480 -13.809 -9.778 1.00 1.00 H new ATOM 0 HG LEU A 48 -12.649 -11.574 -9.841 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -13.007 -11.480 -12.311 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -11.535 -12.388 -11.890 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -13.011 -13.258 -12.371 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -14.983 -11.444 -10.745 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -15.085 -13.221 -10.712 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -14.928 -12.310 -9.191 1.00 1.00 H new ATOM 752 N ASP A 49 -12.386 -16.990 -9.012 1.00 1.00 N ATOM 753 CA ASP A 49 -11.537 -18.176 -8.870 1.00 1.00 C ATOM 754 C ASP A 49 -11.961 -19.269 -9.863 1.00 1.00 C ATOM 755 O ASP A 49 -11.112 -19.947 -10.433 1.00 1.00 O ATOM 756 CB ASP A 49 -11.614 -18.691 -7.427 1.00 1.00 C ATOM 757 CG ASP A 49 -10.682 -19.884 -7.233 1.00 1.00 C ATOM 758 OD1 ASP A 49 -9.481 -19.688 -7.318 1.00 1.00 O ATOM 759 OD2 ASP A 49 -11.181 -20.974 -7.005 1.00 1.00 O ATOM 0 H ASP A 49 -12.989 -16.798 -8.212 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.505 -17.905 -9.095 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -11.342 -17.894 -6.735 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -12.638 -18.981 -7.192 1.00 1.00 H new ATOM 764 N VAL A 50 -13.276 -19.455 -10.042 1.00 1.00 N ATOM 765 CA VAL A 50 -13.793 -20.498 -10.957 1.00 1.00 C ATOM 766 C VAL A 50 -13.636 -20.094 -12.438 1.00 1.00 C ATOM 767 O VAL A 50 -13.664 -20.954 -13.319 1.00 1.00 O ATOM 768 CB VAL A 50 -15.273 -20.797 -10.630 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.393 -21.265 -9.167 1.00 1.00 C ATOM 770 CG2 VAL A 50 -16.117 -19.524 -10.825 1.00 1.00 C ATOM 0 H VAL A 50 -13.998 -18.907 -9.574 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.201 -21.400 -10.805 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.635 -21.579 -11.297 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.437 -21.476 -8.937 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.800 -22.169 -9.024 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.026 -20.482 -8.503 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -17.160 -19.740 -10.593 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.752 -18.740 -10.161 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -16.037 -19.189 -11.859 1.00 1.00 H new ATOM 780 N VAL A 51 -13.484 -18.779 -12.717 1.00 1.00 N ATOM 781 CA VAL A 51 -13.335 -18.284 -14.114 1.00 1.00 C ATOM 782 C VAL A 51 -11.855 -18.347 -14.542 1.00 1.00 C ATOM 783 O VAL A 51 -11.535 -18.363 -15.732 1.00 1.00 O ATOM 784 CB VAL A 51 -13.951 -16.837 -14.240 1.00 1.00 C ATOM 785 CG1 VAL A 51 -12.903 -15.716 -13.985 1.00 1.00 C ATOM 786 CG2 VAL A 51 -14.579 -16.628 -15.642 1.00 1.00 C ATOM 0 H VAL A 51 -13.461 -18.047 -12.007 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.889 -18.926 -14.799 1.00 1.00 H new ATOM 0 HB VAL A 51 -14.719 -16.765 -13.470 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -13.381 -14.742 -14.085 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.497 -15.820 -12.979 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -12.096 -15.800 -14.713 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -14.998 -15.624 -15.707 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -13.812 -16.751 -16.406 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.370 -17.362 -15.800 1.00 1.00 H new ATOM 796 N PHE A 52 -10.966 -18.394 -13.551 1.00 1.00 N ATOM 797 CA PHE A 52 -9.517 -18.480 -13.799 1.00 1.00 C ATOM 798 C PHE A 52 -9.174 -19.713 -14.665 1.00 1.00 C ATOM 799 O PHE A 52 -8.563 -19.559 -15.720 1.00 1.00 O ATOM 800 CB PHE A 52 -8.731 -18.515 -12.432 1.00 1.00 C ATOM 801 CG PHE A 52 -7.755 -17.332 -12.331 1.00 1.00 C ATOM 802 CD1 PHE A 52 -8.250 -16.054 -12.037 1.00 1.00 C ATOM 803 CD2 PHE A 52 -6.371 -17.510 -12.544 1.00 1.00 C ATOM 804 CE1 PHE A 52 -7.378 -14.965 -11.950 1.00 1.00 C ATOM 805 CE2 PHE A 52 -5.502 -16.415 -12.457 1.00 1.00 C ATOM 806 CZ PHE A 52 -6.007 -15.143 -12.160 1.00 1.00 C ATOM 0 H PHE A 52 -11.219 -18.374 -12.563 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.210 -17.592 -14.352 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.436 -18.482 -11.601 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.182 -19.453 -12.347 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -9.308 -15.910 -11.877 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.982 -18.491 -12.774 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.764 -13.983 -11.720 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.443 -16.552 -12.619 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.337 -14.299 -12.093 1.00 1.00 H new ATOM 816 N PRO A 53 -9.526 -20.922 -14.262 1.00 1.00 N ATOM 817 CA PRO A 53 -9.195 -22.138 -15.075 1.00 1.00 C ATOM 818 C PRO A 53 -9.756 -22.037 -16.506 1.00 1.00 C ATOM 819 O PRO A 53 -9.208 -22.633 -17.431 1.00 1.00 O ATOM 820 CB PRO A 53 -9.824 -23.308 -14.253 1.00 1.00 C ATOM 821 CG PRO A 53 -10.883 -22.639 -13.425 1.00 1.00 C ATOM 822 CD PRO A 53 -10.249 -21.304 -13.026 1.00 1.00 C ATOM 0 HA PRO A 53 -8.124 -22.276 -15.226 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -10.249 -24.071 -14.905 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -9.080 -23.802 -13.627 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.801 -22.491 -13.994 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -11.143 -23.235 -12.550 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -10.999 -20.564 -12.747 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -9.575 -21.411 -12.176 1.00 1.00 H new ATOM 830 N HIS A 54 -10.843 -21.276 -16.685 1.00 1.00 N ATOM 831 CA HIS A 54 -11.463 -21.099 -18.013 1.00 1.00 C ATOM 832 C HIS A 54 -10.661 -20.111 -18.865 1.00 1.00 C ATOM 833 O HIS A 54 -11.154 -19.605 -19.875 1.00 1.00 O ATOM 834 CB HIS A 54 -12.901 -20.588 -17.840 1.00 1.00 C ATOM 835 CG HIS A 54 -13.714 -21.615 -17.097 1.00 1.00 C ATOM 836 ND1 HIS A 54 -14.533 -21.283 -16.031 1.00 1.00 N ATOM 837 CD2 HIS A 54 -13.841 -22.972 -17.259 1.00 1.00 C ATOM 838 CE1 HIS A 54 -15.110 -22.417 -15.595 1.00 1.00 C ATOM 839 NE2 HIS A 54 -14.722 -23.476 -16.311 1.00 1.00 N ATOM 0 H HIS A 54 -11.313 -20.773 -15.933 1.00 1.00 H new ATOM 0 HA HIS A 54 -11.471 -22.062 -18.524 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.900 -19.645 -17.293 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -13.348 -20.391 -18.815 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -13.333 -23.559 -18.010 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -15.802 -22.466 -14.767 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -15.011 -24.446 -16.188 1.00 1.00 H new ATOM 848 N PHE A 55 -9.419 -19.845 -18.446 1.00 1.00 N ATOM 849 CA PHE A 55 -8.517 -18.919 -19.155 1.00 1.00 C ATOM 850 C PHE A 55 -7.144 -19.569 -19.353 1.00 1.00 C ATOM 851 O PHE A 55 -6.516 -19.383 -20.395 1.00 1.00 O ATOM 852 CB PHE A 55 -8.392 -17.599 -18.355 1.00 1.00 C ATOM 853 CG PHE A 55 -7.485 -16.608 -19.093 1.00 1.00 C ATOM 854 CD1 PHE A 55 -7.859 -16.144 -20.365 1.00 1.00 C ATOM 855 CD2 PHE A 55 -6.264 -16.172 -18.531 1.00 1.00 C ATOM 856 CE1 PHE A 55 -7.031 -15.265 -21.063 1.00 1.00 C ATOM 857 CE2 PHE A 55 -5.437 -15.293 -19.241 1.00 1.00 C ATOM 858 CZ PHE A 55 -5.819 -14.842 -20.507 1.00 1.00 C ATOM 0 H PHE A 55 -9.008 -20.261 -17.610 1.00 1.00 H new ATOM 0 HA PHE A 55 -8.930 -18.693 -20.138 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.379 -17.160 -18.210 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.986 -17.804 -17.364 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.791 -16.469 -20.804 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -5.968 -16.518 -17.552 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.327 -14.909 -22.039 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -4.503 -14.963 -18.810 1.00 1.00 H new ATOM 0 HZ PHE A 55 -5.179 -14.167 -21.056 1.00 1.00 H new ATOM 868 N ILE A 56 -6.675 -20.339 -18.366 1.00 1.00 N ATOM 869 CA ILE A 56 -5.370 -21.011 -18.479 1.00 1.00 C ATOM 870 C ILE A 56 -5.478 -22.211 -19.437 1.00 1.00 C ATOM 871 O ILE A 56 -4.513 -22.564 -20.116 1.00 1.00 O ATOM 872 CB ILE A 56 -4.891 -21.462 -17.086 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.954 -20.275 -16.083 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.458 -22.022 -17.165 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.124 -19.058 -16.544 1.00 1.00 C ATOM 0 H ILE A 56 -7.169 -20.513 -17.491 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.638 -20.313 -18.885 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.552 -22.253 -16.731 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -5.993 -19.972 -15.951 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -4.593 -20.608 -15.110 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.135 -22.336 -16.172 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.438 -22.877 -17.841 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.786 -21.249 -17.538 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.206 -18.261 -15.805 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -3.079 -19.349 -16.650 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -4.500 -18.703 -17.503 1.00 1.00 H new ATOM 887 N SER A 57 -6.657 -22.829 -19.486 1.00 1.00 N ATOM 888 CA SER A 57 -6.886 -23.981 -20.361 1.00 1.00 C ATOM 889 C SER A 57 -6.679 -23.607 -21.832 1.00 1.00 C ATOM 890 O SER A 57 -6.061 -24.354 -22.593 1.00 1.00 O ATOM 891 CB SER A 57 -8.321 -24.489 -20.165 1.00 1.00 C ATOM 892 OG SER A 57 -8.512 -24.834 -18.800 1.00 1.00 O ATOM 0 H SER A 57 -7.468 -22.553 -18.932 1.00 1.00 H new ATOM 0 HA SER A 57 -6.170 -24.760 -20.099 1.00 1.00 H new ATOM 0 HB2 SER A 57 -9.035 -23.721 -20.462 1.00 1.00 H new ATOM 0 HB3 SER A 57 -8.503 -25.356 -20.800 1.00 1.00 H new ATOM 0 HG SER A 57 -8.811 -24.045 -18.302 1.00 1.00 H new ATOM 898 N GLN A 58 -7.212 -22.448 -22.229 1.00 1.00 N ATOM 899 CA GLN A 58 -7.094 -21.983 -23.617 1.00 1.00 C ATOM 900 C GLN A 58 -5.635 -21.688 -23.972 1.00 1.00 C ATOM 901 O GLN A 58 -5.185 -22.028 -25.065 1.00 1.00 O ATOM 902 CB GLN A 58 -7.962 -20.718 -23.826 1.00 1.00 C ATOM 903 CG GLN A 58 -8.018 -20.313 -25.320 1.00 1.00 C ATOM 904 CD GLN A 58 -8.744 -21.377 -26.144 1.00 1.00 C ATOM 905 OE1 GLN A 58 -9.925 -21.636 -25.919 1.00 1.00 O ATOM 906 NE2 GLN A 58 -8.097 -22.019 -27.079 1.00 1.00 N ATOM 0 H GLN A 58 -7.727 -21.817 -21.615 1.00 1.00 H new ATOM 0 HA GLN A 58 -7.451 -22.774 -24.277 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -8.972 -20.903 -23.459 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -7.555 -19.895 -23.239 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -8.529 -19.356 -25.423 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -7.007 -20.177 -25.703 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -7.118 -21.801 -27.263 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -8.571 -22.738 -27.626 1.00 1.00 H new ATOM 915 N ILE A 59 -4.900 -21.045 -23.062 1.00 1.00 N ATOM 916 CA ILE A 59 -3.499 -20.711 -23.337 1.00 1.00 C ATOM 917 C ILE A 59 -2.698 -21.994 -23.545 1.00 1.00 C ATOM 918 O ILE A 59 -1.916 -22.097 -24.485 1.00 1.00 O ATOM 919 CB ILE A 59 -2.911 -19.894 -22.154 1.00 1.00 C ATOM 920 CG1 ILE A 59 -3.667 -18.542 -22.053 1.00 1.00 C ATOM 921 CG2 ILE A 59 -1.390 -19.633 -22.372 1.00 1.00 C ATOM 922 CD1 ILE A 59 -3.272 -17.795 -20.774 1.00 1.00 C ATOM 0 H ILE A 59 -5.241 -20.750 -22.147 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.441 -20.107 -24.243 1.00 1.00 H new ATOM 0 HB ILE A 59 -3.033 -20.460 -21.230 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -3.441 -17.927 -22.924 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -4.742 -18.720 -22.059 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -0.995 -19.059 -21.533 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -0.864 -20.585 -22.440 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -1.246 -19.072 -23.295 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -3.813 -16.850 -20.723 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -3.522 -18.404 -19.905 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.200 -17.599 -20.784 1.00 1.00 H new ATOM 934 N GLU A 60 -2.882 -22.966 -22.653 1.00 1.00 N ATOM 935 CA GLU A 60 -2.146 -24.229 -22.751 1.00 1.00 C ATOM 936 C GLU A 60 -2.449 -24.908 -24.091 1.00 1.00 C ATOM 937 O GLU A 60 -1.544 -25.372 -24.780 1.00 1.00 O ATOM 938 CB GLU A 60 -2.532 -25.146 -21.553 1.00 1.00 C ATOM 939 CG GLU A 60 -1.429 -26.185 -21.256 1.00 1.00 C ATOM 940 CD GLU A 60 -1.195 -27.087 -22.465 1.00 1.00 C ATOM 941 OE1 GLU A 60 -2.171 -27.553 -23.030 1.00 1.00 O ATOM 942 OE2 GLU A 60 -0.043 -27.297 -22.809 1.00 1.00 O ATOM 0 H GLU A 60 -3.525 -22.907 -21.864 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.074 -24.037 -22.708 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -2.706 -24.535 -20.667 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.467 -25.660 -21.774 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -0.503 -25.674 -20.993 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -1.715 -26.790 -20.395 1.00 1.00 H new ATOM 949 N SER A 61 -3.733 -24.954 -24.454 1.00 1.00 N ATOM 950 CA SER A 61 -4.144 -25.571 -25.719 1.00 1.00 C ATOM 951 C SER A 61 -3.603 -24.769 -26.908 1.00 1.00 C ATOM 952 O SER A 61 -3.156 -25.348 -27.891 1.00 1.00 O ATOM 953 CB SER A 61 -5.664 -25.675 -25.793 1.00 1.00 C ATOM 954 OG SER A 61 -6.032 -26.314 -27.008 1.00 1.00 O ATOM 0 H SER A 61 -4.499 -24.576 -23.897 1.00 1.00 H new ATOM 0 HA SER A 61 -3.727 -26.577 -25.763 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.043 -26.240 -24.942 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.111 -24.682 -25.741 1.00 1.00 H new ATOM 0 HG SER A 61 -7.008 -26.384 -27.058 1.00 1.00 H new ATOM 960 N MET A 62 -3.644 -23.434 -26.810 1.00 1.00 N ATOM 961 CA MET A 62 -3.155 -22.557 -27.892 1.00 1.00 C ATOM 962 C MET A 62 -1.744 -22.964 -28.331 1.00 1.00 C ATOM 963 O MET A 62 -1.450 -23.033 -29.521 1.00 1.00 O ATOM 964 CB MET A 62 -3.144 -21.095 -27.404 1.00 1.00 C ATOM 965 CG MET A 62 -2.800 -20.135 -28.559 1.00 1.00 C ATOM 966 SD MET A 62 -2.867 -18.421 -27.964 1.00 1.00 S ATOM 967 CE MET A 62 -4.631 -18.104 -28.241 1.00 1.00 C ATOM 0 H MET A 62 -4.008 -22.935 -25.998 1.00 1.00 H new ATOM 0 HA MET A 62 -3.823 -22.657 -28.747 1.00 1.00 H new ATOM 0 HB2 MET A 62 -4.119 -20.838 -26.990 1.00 1.00 H new ATOM 0 HB3 MET A 62 -2.416 -20.980 -26.601 1.00 1.00 H new ATOM 0 HG2 MET A 62 -1.806 -20.358 -28.947 1.00 1.00 H new ATOM 0 HG3 MET A 62 -3.502 -20.273 -29.382 1.00 1.00 H new ATOM 0 HE1 MET A 62 -4.874 -17.093 -27.916 1.00 1.00 H new ATOM 0 HE2 MET A 62 -4.857 -18.208 -29.302 1.00 1.00 H new ATOM 0 HE3 MET A 62 -5.223 -18.821 -27.672 1.00 1.00 H new ATOM 977 N LEU A 63 -0.889 -23.235 -27.365 1.00 1.00 N ATOM 978 CA LEU A 63 0.484 -23.648 -27.652 1.00 1.00 C ATOM 979 C LEU A 63 0.491 -24.988 -28.405 1.00 1.00 C ATOM 980 O LEU A 63 1.315 -25.204 -29.293 1.00 1.00 O ATOM 981 CB LEU A 63 1.253 -23.783 -26.328 1.00 1.00 C ATOM 982 CG LEU A 63 1.328 -22.417 -25.584 1.00 1.00 C ATOM 983 CD1 LEU A 63 1.956 -22.637 -24.195 1.00 1.00 C ATOM 984 CD2 LEU A 63 2.169 -21.371 -26.380 1.00 1.00 C ATOM 0 H LEU A 63 -1.114 -23.179 -26.372 1.00 1.00 H new ATOM 0 HA LEU A 63 0.965 -22.898 -28.281 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.763 -24.521 -25.693 1.00 1.00 H new ATOM 0 HB3 LEU A 63 2.260 -24.150 -26.524 1.00 1.00 H new ATOM 0 HG LEU A 63 0.316 -22.023 -25.487 1.00 1.00 H new ATOM 0 HD11 LEU A 63 2.013 -21.685 -23.666 1.00 1.00 H new ATOM 0 HD12 LEU A 63 1.342 -23.333 -23.624 1.00 1.00 H new ATOM 0 HD13 LEU A 63 2.959 -23.048 -24.310 1.00 1.00 H new ATOM 0 HD21 LEU A 63 2.198 -20.431 -25.828 1.00 1.00 H new ATOM 0 HD22 LEU A 63 3.184 -21.745 -26.512 1.00 1.00 H new ATOM 0 HD23 LEU A 63 1.713 -21.205 -27.356 1.00 1.00 H new ATOM 996 N THR A 64 -0.431 -25.887 -28.041 1.00 1.00 N ATOM 997 CA THR A 64 -0.525 -27.205 -28.685 1.00 1.00 C ATOM 998 C THR A 64 -1.006 -27.091 -30.141 1.00 1.00 C ATOM 999 O THR A 64 -0.296 -27.474 -31.070 1.00 1.00 O ATOM 1000 CB THR A 64 -1.510 -28.093 -27.888 1.00 1.00 C ATOM 1001 OG1 THR A 64 -1.165 -28.053 -26.512 1.00 1.00 O ATOM 1002 CG2 THR A 64 -1.458 -29.548 -28.381 1.00 1.00 C ATOM 0 H THR A 64 -1.121 -25.728 -27.307 1.00 1.00 H new ATOM 0 HA THR A 64 0.470 -27.651 -28.692 1.00 1.00 H new ATOM 0 HB THR A 64 -2.520 -27.712 -28.036 1.00 1.00 H new ATOM 0 HG1 THR A 64 -1.787 -28.613 -26.002 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.159 -30.152 -27.805 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.729 -29.585 -29.436 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.449 -29.940 -28.251 1.00 1.00 H new ATOM 1010 N THR A 65 -2.227 -26.568 -30.322 1.00 1.00 N ATOM 1011 CA THR A 65 -2.814 -26.414 -31.666 1.00 1.00 C ATOM 1012 C THR A 65 -2.129 -25.288 -32.429 1.00 1.00 C ATOM 1013 O THR A 65 -1.871 -25.398 -33.628 1.00 1.00 O ATOM 1014 CB THR A 65 -4.330 -26.139 -31.549 1.00 1.00 C ATOM 1015 OG1 THR A 65 -4.904 -26.167 -32.846 1.00 1.00 O ATOM 1016 CG2 THR A 65 -4.602 -24.763 -30.905 1.00 1.00 C ATOM 0 H THR A 65 -2.826 -26.246 -29.562 1.00 1.00 H new ATOM 0 HA THR A 65 -2.662 -27.340 -32.220 1.00 1.00 H new ATOM 0 HB THR A 65 -4.773 -26.907 -30.915 1.00 1.00 H new ATOM 0 HG1 THR A 65 -5.867 -25.995 -32.781 1.00 1.00 H new ATOM 0 HG21 THR A 65 -5.677 -24.599 -30.837 1.00 1.00 H new ATOM 0 HG22 THR A 65 -4.167 -24.736 -29.906 1.00 1.00 H new ATOM 0 HG23 THR A 65 -4.154 -23.980 -31.517 1.00 1.00 H new ATOM 1024 N GLY A 66 -1.824 -24.208 -31.713 1.00 1.00 N ATOM 1025 CA GLY A 66 -1.151 -23.046 -32.291 1.00 1.00 C ATOM 1026 C GLY A 66 0.328 -23.124 -31.977 1.00 1.00 C ATOM 1027 O GLY A 66 0.829 -22.376 -31.138 1.00 1.00 O ATOM 0 H GLY A 66 -2.035 -24.113 -30.720 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -1.306 -23.020 -33.370 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -1.574 -22.127 -31.886 1.00 1.00 H new ATOM 1031 N GLU A 67 1.030 -24.034 -32.659 1.00 1.00 N ATOM 1032 CA GLU A 67 2.469 -24.202 -32.454 1.00 1.00 C ATOM 1033 C GLU A 67 3.170 -22.869 -32.640 1.00 1.00 C ATOM 1034 O GLU A 67 3.585 -22.527 -33.748 1.00 1.00 O ATOM 1035 CB GLU A 67 3.030 -25.206 -33.476 1.00 1.00 C ATOM 1036 CG GLU A 67 2.417 -26.589 -33.242 1.00 1.00 C ATOM 1037 CD GLU A 67 2.946 -27.598 -34.266 1.00 1.00 C ATOM 1038 OE1 GLU A 67 3.829 -27.245 -35.035 1.00 1.00 O ATOM 1039 OE2 GLU A 67 2.456 -28.714 -34.266 1.00 1.00 O ATOM 0 H GLU A 67 0.626 -24.662 -33.354 1.00 1.00 H new ATOM 0 HA GLU A 67 2.640 -24.573 -31.444 1.00 1.00 H new ATOM 0 HB2 GLU A 67 2.810 -24.868 -34.489 1.00 1.00 H new ATOM 0 HB3 GLU A 67 4.115 -25.260 -33.387 1.00 1.00 H new ATOM 0 HG2 GLU A 67 2.652 -26.930 -32.234 1.00 1.00 H new ATOM 0 HG3 GLU A 67 1.331 -26.527 -33.313 1.00 1.00 H new ATOM 1046 N LEU A 68 3.286 -22.101 -31.560 1.00 1.00 N ATOM 1047 CA LEU A 68 3.930 -20.789 -31.648 1.00 1.00 C ATOM 1048 C LEU A 68 5.440 -21.004 -31.562 1.00 1.00 C ATOM 1049 O LEU A 68 5.918 -21.614 -30.604 1.00 1.00 O ATOM 1050 CB LEU A 68 3.428 -19.885 -30.481 1.00 1.00 C ATOM 1051 CG LEU A 68 3.409 -18.376 -30.887 1.00 1.00 C ATOM 1052 CD1 LEU A 68 4.815 -17.926 -31.366 1.00 1.00 C ATOM 1053 CD2 LEU A 68 2.328 -18.100 -31.997 1.00 1.00 C ATOM 0 H LEU A 68 2.951 -22.355 -30.631 1.00 1.00 H new ATOM 0 HA LEU A 68 3.684 -20.293 -32.587 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.426 -20.195 -30.185 1.00 1.00 H new ATOM 0 HB3 LEU A 68 4.073 -20.020 -29.612 1.00 1.00 H new ATOM 0 HG LEU A 68 3.139 -17.792 -30.007 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.784 -16.873 -31.645 1.00 1.00 H new ATOM 0 HD12 LEU A 68 5.536 -18.067 -30.561 1.00 1.00 H new ATOM 0 HD13 LEU A 68 5.113 -18.521 -32.229 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.338 -17.042 -32.259 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.555 -18.695 -32.882 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.342 -18.371 -31.620 1.00 1.00 H new ATOM 1065 N ASN A 69 6.187 -20.525 -32.571 1.00 1.00 N ATOM 1066 CA ASN A 69 7.652 -20.690 -32.620 1.00 1.00 C ATOM 1067 C ASN A 69 8.354 -19.317 -32.716 1.00 1.00 C ATOM 1068 O ASN A 69 7.818 -18.410 -33.352 1.00 1.00 O ATOM 1069 CB ASN A 69 8.011 -21.520 -33.860 1.00 1.00 C ATOM 1070 CG ASN A 69 7.409 -22.918 -33.734 1.00 1.00 C ATOM 1071 OD1 ASN A 69 6.322 -23.184 -34.247 1.00 1.00 O ATOM 1072 ND2 ASN A 69 8.060 -23.826 -33.059 1.00 1.00 N ATOM 0 H ASN A 69 5.800 -20.018 -33.367 1.00 1.00 H new ATOM 0 HA ASN A 69 7.984 -21.190 -31.710 1.00 1.00 H new ATOM 0 HB2 ASN A 69 7.635 -21.031 -34.759 1.00 1.00 H new ATOM 0 HB3 ASN A 69 9.094 -21.588 -33.964 1.00 1.00 H new ATOM 0 HD21 ASN A 69 7.668 -24.762 -32.954 1.00 1.00 H new ATOM 0 HD22 ASN A 69 8.960 -23.599 -32.636 1.00 1.00 H new ATOM 1079 N PRO A 70 9.545 -19.135 -32.141 1.00 1.00 N ATOM 1080 CA PRO A 70 10.275 -17.822 -32.246 1.00 1.00 C ATOM 1081 C PRO A 70 10.434 -17.359 -33.712 1.00 1.00 C ATOM 1082 O PRO A 70 11.428 -17.684 -34.361 1.00 1.00 O ATOM 1083 CB PRO A 70 11.664 -18.110 -31.590 1.00 1.00 C ATOM 1084 CG PRO A 70 11.428 -19.278 -30.679 1.00 1.00 C ATOM 1085 CD PRO A 70 10.319 -20.119 -31.336 1.00 1.00 C ATOM 0 HA PRO A 70 9.733 -17.013 -31.755 1.00 1.00 H new ATOM 0 HB2 PRO A 70 12.416 -18.343 -32.344 1.00 1.00 H new ATOM 0 HB3 PRO A 70 12.026 -17.244 -31.036 1.00 1.00 H new ATOM 0 HG2 PRO A 70 12.338 -19.864 -30.554 1.00 1.00 H new ATOM 0 HG3 PRO A 70 11.126 -18.943 -29.687 1.00 1.00 H new ATOM 0 HD2 PRO A 70 10.735 -20.907 -31.963 1.00 1.00 H new ATOM 0 HD3 PRO A 70 9.691 -20.604 -30.589 1.00 1.00 H new ATOM 1093 N ARG A 71 9.449 -16.619 -34.243 1.00 1.00 N ATOM 1094 CA ARG A 71 9.501 -16.138 -35.642 1.00 1.00 C ATOM 1095 C ARG A 71 9.170 -14.652 -35.692 1.00 1.00 C ATOM 1096 O ARG A 71 9.886 -13.865 -36.313 1.00 1.00 O ATOM 1097 CB ARG A 71 8.490 -16.937 -36.496 1.00 1.00 C ATOM 1098 CG ARG A 71 8.608 -16.547 -37.984 1.00 1.00 C ATOM 1099 CD ARG A 71 7.655 -17.393 -38.834 1.00 1.00 C ATOM 1100 NE ARG A 71 7.805 -17.026 -40.248 1.00 1.00 N ATOM 1101 CZ ARG A 71 8.842 -17.444 -40.984 1.00 1.00 C ATOM 1102 NH1 ARG A 71 9.763 -18.211 -40.456 1.00 1.00 N ATOM 1103 NH2 ARG A 71 8.944 -17.077 -42.231 1.00 1.00 N ATOM 0 H ARG A 71 8.611 -16.339 -33.734 1.00 1.00 H new ATOM 0 HA ARG A 71 10.505 -16.286 -36.040 1.00 1.00 H new ATOM 0 HB2 ARG A 71 8.671 -18.005 -36.379 1.00 1.00 H new ATOM 0 HB3 ARG A 71 7.477 -16.745 -36.144 1.00 1.00 H new ATOM 0 HG2 ARG A 71 8.376 -15.489 -38.109 1.00 1.00 H new ATOM 0 HG3 ARG A 71 9.634 -16.690 -38.324 1.00 1.00 H new ATOM 0 HD2 ARG A 71 7.872 -18.452 -38.697 1.00 1.00 H new ATOM 0 HD3 ARG A 71 6.626 -17.234 -38.513 1.00 1.00 H new ATOM 0 HE ARG A 71 7.097 -16.434 -40.683 1.00 1.00 H new ATOM 0 HH11 ARG A 71 9.693 -18.493 -39.478 1.00 1.00 H new ATOM 0 HH12 ARG A 71 10.551 -18.526 -41.022 1.00 1.00 H new ATOM 0 HH21 ARG A 71 8.234 -16.472 -42.644 1.00 1.00 H new ATOM 0 HH22 ARG A 71 9.734 -17.395 -42.793 1.00 1.00 H new ATOM 1117 N HIS A 72 8.058 -14.280 -35.065 1.00 1.00 N ATOM 1118 CA HIS A 72 7.613 -12.884 -35.072 1.00 1.00 C ATOM 1119 C HIS A 72 6.574 -12.614 -33.981 1.00 1.00 C ATOM 1120 O HIS A 72 5.823 -13.505 -33.583 1.00 1.00 O ATOM 1121 CB HIS A 72 7.014 -12.554 -36.462 1.00 1.00 C ATOM 1122 CG HIS A 72 5.684 -13.261 -36.659 1.00 1.00 C ATOM 1123 ND1 HIS A 72 5.193 -14.449 -36.171 1.00 1.00 N flip ATOM 1124 CD2 HIS A 72 4.661 -12.716 -37.422 1.00 1.00 C flip ATOM 1125 CE1 HIS A 72 3.889 -14.636 -36.616 1.00 1.00 C flip ATOM 1126 NE2 HIS A 72 3.617 -13.565 -37.365 1.00 1.00 N flip ATOM 0 H HIS A 72 7.451 -14.917 -34.549 1.00 1.00 H new ATOM 0 HA HIS A 72 8.474 -12.247 -34.869 1.00 1.00 H new ATOM 0 HB2 HIS A 72 6.876 -11.477 -36.557 1.00 1.00 H new ATOM 0 HB3 HIS A 72 7.711 -12.856 -37.244 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.696 -11.782 -37.963 1.00 1.00 H new ATOM 0 HE1 HIS A 72 3.236 -15.469 -36.402 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.726 -13.409 -37.837 1.00 1.00 H new ATOM 1135 N ALA A 73 6.541 -11.364 -33.513 1.00 1.00 N ATOM 1136 CA ALA A 73 5.597 -10.956 -32.479 1.00 1.00 C ATOM 1137 C ALA A 73 4.169 -11.222 -32.951 1.00 1.00 C ATOM 1138 O ALA A 73 3.889 -11.183 -34.148 1.00 1.00 O ATOM 1139 CB ALA A 73 5.765 -9.456 -32.197 1.00 1.00 C ATOM 0 H ALA A 73 7.159 -10.619 -33.836 1.00 1.00 H new ATOM 0 HA ALA A 73 5.791 -11.526 -31.570 1.00 1.00 H new ATOM 0 HB1 ALA A 73 5.060 -9.150 -31.424 1.00 1.00 H new ATOM 0 HB2 ALA A 73 6.782 -9.261 -31.858 1.00 1.00 H new ATOM 0 HB3 ALA A 73 5.572 -8.891 -33.109 1.00 1.00 H new ATOM 1145 N GLN A 74 3.272 -11.494 -32.009 1.00 1.00 N ATOM 1146 CA GLN A 74 1.868 -11.767 -32.329 1.00 1.00 C ATOM 1147 C GLN A 74 1.024 -11.432 -31.100 1.00 1.00 C ATOM 1148 O GLN A 74 1.430 -11.723 -29.972 1.00 1.00 O ATOM 1149 CB GLN A 74 1.703 -13.256 -32.760 1.00 1.00 C ATOM 1150 CG GLN A 74 0.491 -13.441 -33.701 1.00 1.00 C ATOM 1151 CD GLN A 74 -0.792 -12.979 -33.018 1.00 1.00 C ATOM 1152 OE1 GLN A 74 -1.139 -13.476 -31.947 1.00 1.00 O ATOM 1153 NE2 GLN A 74 -1.519 -12.050 -33.578 1.00 1.00 N ATOM 0 H GLN A 74 3.490 -11.532 -31.013 1.00 1.00 H new ATOM 0 HA GLN A 74 1.533 -11.152 -33.164 1.00 1.00 H new ATOM 0 HB2 GLN A 74 2.610 -13.593 -33.262 1.00 1.00 H new ATOM 0 HB3 GLN A 74 1.577 -13.880 -31.875 1.00 1.00 H new ATOM 0 HG2 GLN A 74 0.646 -12.874 -34.619 1.00 1.00 H new ATOM 0 HG3 GLN A 74 0.401 -14.489 -33.986 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -1.228 -11.641 -34.466 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -2.378 -11.734 -33.128 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.147 -10.817 -31.321 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.063 -10.432 -30.233 1.00 1.00 C ATOM 1164 C CYS A 75 -2.468 -10.914 -30.554 1.00 1.00 C ATOM 1165 O CYS A 75 -2.883 -10.899 -31.713 1.00 1.00 O ATOM 1166 CB CYS A 75 -1.075 -8.903 -30.067 1.00 1.00 C ATOM 1167 SG CYS A 75 -2.128 -8.465 -28.660 1.00 1.00 S ATOM 0 H CYS A 75 -0.486 -10.573 -32.252 1.00 1.00 H new ATOM 0 HA CYS A 75 -0.721 -10.890 -29.305 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -0.062 -8.535 -29.907 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -1.446 -8.429 -30.976 1.00 1.00 H new ATOM 0 HG CYS A 75 -1.766 -9.151 -27.617 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.199 -11.339 -29.519 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.578 -11.822 -29.682 1.00 1.00 C ATOM 1175 C VAL A 76 -5.414 -11.399 -28.478 1.00 1.00 C ATOM 1176 O VAL A 76 -4.918 -11.370 -27.351 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.565 -13.358 -29.855 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -3.955 -14.030 -28.607 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -5.995 -13.883 -30.087 1.00 1.00 C ATOM 0 H VAL A 76 -2.860 -11.359 -28.557 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.028 -11.384 -30.573 1.00 1.00 H new ATOM 0 HB VAL A 76 -3.954 -13.603 -30.724 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -3.952 -15.112 -28.741 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -2.933 -13.678 -28.467 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -4.549 -13.775 -27.729 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -5.970 -14.966 -30.207 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -6.620 -13.627 -29.231 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -6.408 -13.428 -30.987 1.00 1.00 H new ATOM 1189 N THR A 77 -6.689 -11.088 -28.726 1.00 1.00 N ATOM 1190 CA THR A 77 -7.633 -10.680 -27.674 1.00 1.00 C ATOM 1191 C THR A 77 -8.730 -11.732 -27.571 1.00 1.00 C ATOM 1192 O THR A 77 -9.484 -11.949 -28.520 1.00 1.00 O ATOM 1193 CB THR A 77 -8.244 -9.318 -28.030 1.00 1.00 C ATOM 1194 OG1 THR A 77 -8.923 -9.421 -29.270 1.00 1.00 O ATOM 1195 CG2 THR A 77 -7.135 -8.264 -28.142 1.00 1.00 C ATOM 0 H THR A 77 -7.099 -11.111 -29.660 1.00 1.00 H new ATOM 0 HA THR A 77 -7.115 -10.593 -26.719 1.00 1.00 H new ATOM 0 HB THR A 77 -8.944 -9.020 -27.249 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.332 -10.308 -29.346 1.00 1.00 H new ATOM 0 HG21 THR A 77 -7.574 -7.299 -28.395 1.00 1.00 H new ATOM 0 HG22 THR A 77 -6.610 -8.185 -27.190 1.00 1.00 H new ATOM 0 HG23 THR A 77 -6.431 -8.558 -28.921 1.00 1.00 H new ATOM 1203 N LEU A 78 -8.806 -12.395 -26.413 1.00 1.00 N ATOM 1204 CA LEU A 78 -9.801 -13.443 -26.161 1.00 1.00 C ATOM 1205 C LEU A 78 -10.942 -12.842 -25.351 1.00 1.00 C ATOM 1206 O LEU A 78 -10.693 -12.119 -24.391 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.133 -14.591 -25.371 1.00 1.00 C ATOM 1208 CG LEU A 78 -7.863 -15.108 -26.097 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -7.200 -16.199 -25.234 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -8.214 -15.696 -27.487 1.00 1.00 C ATOM 0 H LEU A 78 -8.181 -12.221 -25.625 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.190 -13.838 -27.100 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -8.868 -14.243 -24.373 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -9.842 -15.410 -25.245 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.180 -14.271 -26.242 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.306 -16.568 -25.737 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -6.925 -15.780 -24.266 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.900 -17.022 -25.087 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.305 -16.050 -27.972 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.908 -16.528 -27.366 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.677 -14.924 -28.102 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.188 -13.137 -25.740 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.382 -12.620 -25.050 1.00 1.00 C ATOM 1224 C TYR A 79 -14.144 -13.788 -24.424 1.00 1.00 C ATOM 1225 O TYR A 79 -14.450 -14.768 -25.101 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.271 -11.893 -26.076 1.00 1.00 C ATOM 1227 CG TYR A 79 -14.628 -12.849 -27.219 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -13.773 -12.981 -28.326 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -15.813 -13.605 -27.163 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -14.101 -13.862 -29.366 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -16.136 -14.484 -28.205 1.00 1.00 C ATOM 1232 CZ TYR A 79 -15.281 -14.613 -29.306 1.00 1.00 C ATOM 1233 OH TYR A 79 -15.603 -15.479 -30.331 1.00 1.00 O ATOM 0 H TYR A 79 -12.399 -13.737 -26.537 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.094 -11.922 -24.263 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -15.179 -11.532 -25.594 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -13.750 -11.020 -26.469 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -12.862 -12.403 -28.376 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -16.475 -13.508 -26.315 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -13.442 -13.962 -30.216 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -17.046 -15.063 -28.159 1.00 1.00 H new ATOM 0 HH TYR A 79 -16.454 -15.922 -30.130 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.439 -13.685 -23.128 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.162 -14.740 -22.411 1.00 1.00 C ATOM 1245 C HIS A 80 -15.843 -14.140 -21.185 1.00 1.00 C ATOM 1246 O HIS A 80 -15.267 -13.271 -20.533 1.00 1.00 O ATOM 1247 CB HIS A 80 -14.165 -15.838 -21.983 1.00 1.00 C ATOM 1248 CG HIS A 80 -13.031 -15.220 -21.207 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -12.777 -15.549 -19.885 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -12.074 -14.299 -21.555 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -11.704 -14.839 -19.490 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -11.237 -14.060 -20.469 1.00 1.00 N ATOM 0 H HIS A 80 -14.189 -12.882 -22.551 1.00 1.00 H new ATOM 0 HA HIS A 80 -15.920 -15.180 -23.059 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -14.672 -16.585 -21.372 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -13.778 -16.354 -22.862 1.00 1.00 H new ATOM 0 HD1 HIS A 80 -13.307 -16.209 -19.315 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -11.984 -13.831 -22.524 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -11.273 -14.893 -18.501 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.064 -14.591 -20.878 1.00 1.00 N ATOM 1262 CA ASN A 81 -17.813 -14.085 -19.717 1.00 1.00 C ATOM 1263 C ASN A 81 -17.733 -12.553 -19.595 1.00 1.00 C ATOM 1264 O ASN A 81 -17.794 -12.001 -18.496 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.302 -14.764 -18.431 1.00 1.00 C ATOM 1266 CG ASN A 81 -15.870 -14.339 -18.115 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -14.919 -14.882 -18.679 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -15.665 -13.385 -17.252 1.00 1.00 N ATOM 0 H ASN A 81 -17.556 -15.305 -21.415 1.00 1.00 H new ATOM 0 HA ASN A 81 -18.864 -14.334 -19.864 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -17.954 -14.505 -17.596 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -17.346 -15.847 -18.546 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -14.714 -13.084 -17.041 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -16.456 -12.939 -16.788 1.00 1.00 H new ATOM 1275 N GLY A 82 -17.590 -11.884 -20.742 1.00 1.00 N ATOM 1276 CA GLY A 82 -17.492 -10.422 -20.791 1.00 1.00 C ATOM 1277 C GLY A 82 -16.059 -9.965 -20.543 1.00 1.00 C ATOM 1278 O GLY A 82 -15.649 -8.909 -21.019 1.00 1.00 O ATOM 0 H GLY A 82 -17.539 -12.335 -21.655 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -17.829 -10.063 -21.763 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.153 -9.984 -20.043 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.290 -10.771 -19.805 1.00 1.00 N ATOM 1283 CA PHE A 83 -13.889 -10.444 -19.504 1.00 1.00 C ATOM 1284 C PHE A 83 -13.054 -10.533 -20.782 1.00 1.00 C ATOM 1285 O PHE A 83 -13.347 -11.325 -21.679 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.328 -11.429 -18.424 1.00 1.00 C ATOM 1287 CG PHE A 83 -13.669 -10.937 -17.008 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -15.006 -10.691 -16.663 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -12.655 -10.712 -16.052 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -15.331 -10.230 -15.384 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -12.986 -10.249 -14.777 1.00 1.00 C ATOM 1292 CZ PHE A 83 -14.324 -10.008 -14.441 1.00 1.00 C ATOM 0 H PHE A 83 -15.611 -11.653 -19.405 1.00 1.00 H new ATOM 0 HA PHE A 83 -13.834 -9.428 -19.112 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -13.747 -12.423 -18.579 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.247 -11.518 -18.533 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -15.788 -10.859 -17.389 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -11.622 -10.898 -16.307 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -16.363 -10.045 -15.124 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -12.208 -10.076 -14.048 1.00 1.00 H new ATOM 0 HZ PHE A 83 -14.577 -9.651 -13.454 1.00 1.00 H new ATOM 1302 N THR A 84 -11.994 -9.716 -20.841 1.00 1.00 N ATOM 1303 CA THR A 84 -11.079 -9.693 -21.990 1.00 1.00 C ATOM 1304 C THR A 84 -9.643 -9.489 -21.486 1.00 1.00 C ATOM 1305 O THR A 84 -9.283 -8.400 -21.038 1.00 1.00 O ATOM 1306 CB THR A 84 -11.483 -8.548 -22.943 1.00 1.00 C ATOM 1307 OG1 THR A 84 -12.872 -8.652 -23.231 1.00 1.00 O ATOM 1308 CG2 THR A 84 -10.689 -8.625 -24.253 1.00 1.00 C ATOM 0 H THR A 84 -11.748 -9.058 -20.101 1.00 1.00 H new ATOM 0 HA THR A 84 -11.135 -10.637 -22.532 1.00 1.00 H new ATOM 0 HB THR A 84 -11.266 -7.596 -22.459 1.00 1.00 H new ATOM 0 HG1 THR A 84 -13.136 -7.927 -23.835 1.00 1.00 H new ATOM 0 HG21 THR A 84 -10.990 -7.809 -24.909 1.00 1.00 H new ATOM 0 HG22 THR A 84 -9.624 -8.544 -24.038 1.00 1.00 H new ATOM 0 HG23 THR A 84 -10.888 -9.578 -24.744 1.00 1.00 H new ATOM 1316 N CYS A 85 -8.828 -10.547 -21.558 1.00 1.00 N ATOM 1317 CA CYS A 85 -7.428 -10.497 -21.110 1.00 1.00 C ATOM 1318 C CYS A 85 -6.548 -10.164 -22.306 1.00 1.00 C ATOM 1319 O CYS A 85 -6.831 -10.633 -23.409 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.033 -11.864 -20.548 1.00 1.00 C ATOM 1321 SG CYS A 85 -8.152 -12.309 -19.197 1.00 1.00 S ATOM 0 H CYS A 85 -9.114 -11.455 -21.924 1.00 1.00 H new ATOM 0 HA CYS A 85 -7.305 -9.739 -20.336 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -7.077 -12.618 -21.334 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -6.004 -11.838 -20.188 1.00 1.00 H new ATOM 0 HG CYS A 85 -9.190 -12.925 -19.679 1.00 1.00 H new ATOM 1327 N GLU A 86 -5.488 -9.370 -22.114 1.00 1.00 N ATOM 1328 CA GLU A 86 -4.588 -9.005 -23.221 1.00 1.00 C ATOM 1329 C GLU A 86 -3.348 -9.892 -23.174 1.00 1.00 C ATOM 1330 O GLU A 86 -2.847 -10.200 -22.093 1.00 1.00 O ATOM 1331 CB GLU A 86 -4.175 -7.534 -23.059 1.00 1.00 C ATOM 1332 CG GLU A 86 -5.414 -6.621 -23.121 1.00 1.00 C ATOM 1333 CD GLU A 86 -6.069 -6.670 -24.502 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -5.382 -7.004 -25.451 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -7.254 -6.392 -24.580 1.00 1.00 O ATOM 0 H GLU A 86 -5.231 -8.969 -21.212 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.094 -9.143 -24.176 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -3.661 -7.396 -22.108 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -3.472 -7.258 -23.845 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -6.134 -6.929 -22.363 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -5.125 -5.596 -22.889 1.00 1.00 H new ATOM 1342 N ALA A 87 -2.864 -10.317 -24.344 1.00 1.00 N ATOM 1343 CA ALA A 87 -1.680 -11.187 -24.422 1.00 1.00 C ATOM 1344 C ALA A 87 -0.854 -10.843 -25.648 1.00 1.00 C ATOM 1345 O ALA A 87 -1.395 -10.410 -26.666 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.132 -12.652 -24.500 1.00 1.00 C ATOM 0 H ALA A 87 -3.269 -10.076 -25.248 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.068 -11.036 -23.533 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.257 -13.300 -24.558 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -2.711 -12.902 -23.611 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -2.749 -12.796 -25.387 1.00 1.00 H new ATOM 1352 N ASP A 88 0.459 -11.055 -25.563 1.00 1.00 N ATOM 1353 CA ASP A 88 1.348 -10.781 -26.692 1.00 1.00 C ATOM 1354 C ASP A 88 2.692 -11.464 -26.449 1.00 1.00 C ATOM 1355 O ASP A 88 3.237 -11.388 -25.349 1.00 1.00 O ATOM 1356 CB ASP A 88 1.514 -9.261 -26.866 1.00 1.00 C ATOM 1357 CG ASP A 88 2.238 -8.944 -28.170 1.00 1.00 C ATOM 1358 OD1 ASP A 88 2.973 -9.796 -28.646 1.00 1.00 O ATOM 1359 OD2 ASP A 88 2.051 -7.849 -28.676 1.00 1.00 O ATOM 0 H ASP A 88 0.928 -11.413 -24.731 1.00 1.00 H new ATOM 0 HA ASP A 88 0.920 -11.178 -27.612 1.00 1.00 H new ATOM 0 HB2 ASP A 88 0.536 -8.780 -26.861 1.00 1.00 H new ATOM 0 HB3 ASP A 88 2.074 -8.853 -26.025 1.00 1.00 H new ATOM 1364 N THR A 89 3.224 -12.145 -27.471 1.00 1.00 N ATOM 1365 CA THR A 89 4.511 -12.844 -27.345 1.00 1.00 C ATOM 1366 C THR A 89 5.674 -11.854 -27.418 1.00 1.00 C ATOM 1367 O THR A 89 6.645 -11.960 -26.668 1.00 1.00 O ATOM 1368 CB THR A 89 4.618 -13.905 -28.460 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.417 -14.662 -28.493 1.00 1.00 O ATOM 1370 CG2 THR A 89 5.796 -14.849 -28.197 1.00 1.00 C ATOM 0 H THR A 89 2.788 -12.228 -28.389 1.00 1.00 H new ATOM 0 HA THR A 89 4.563 -13.337 -26.374 1.00 1.00 H new ATOM 0 HB THR A 89 4.778 -13.400 -29.413 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.476 -15.338 -29.200 1.00 1.00 H new ATOM 0 HG21 THR A 89 5.854 -15.590 -28.995 1.00 1.00 H new ATOM 0 HG22 THR A 89 6.722 -14.275 -28.167 1.00 1.00 H new ATOM 0 HG23 THR A 89 5.651 -15.355 -27.242 1.00 1.00 H new ATOM 1378 N LEU A 90 5.562 -10.906 -28.355 1.00 1.00 N ATOM 1379 CA LEU A 90 6.594 -9.887 -28.575 1.00 1.00 C ATOM 1380 C LEU A 90 7.931 -10.554 -28.899 1.00 1.00 C ATOM 1381 O LEU A 90 8.988 -10.090 -28.472 1.00 1.00 O ATOM 1382 CB LEU A 90 6.732 -8.986 -27.327 1.00 1.00 C ATOM 1383 CG LEU A 90 5.364 -8.347 -26.942 1.00 1.00 C ATOM 1384 CD1 LEU A 90 5.506 -7.621 -25.588 1.00 1.00 C ATOM 1385 CD2 LEU A 90 4.898 -7.323 -28.015 1.00 1.00 C ATOM 0 H LEU A 90 4.759 -10.824 -28.978 1.00 1.00 H new ATOM 0 HA LEU A 90 6.299 -9.266 -29.421 1.00 1.00 H new ATOM 0 HB2 LEU A 90 7.111 -9.574 -26.491 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.462 -8.200 -27.521 1.00 1.00 H new ATOM 0 HG LEU A 90 4.622 -9.143 -26.876 1.00 1.00 H new ATOM 0 HD11 LEU A 90 4.551 -7.172 -25.314 1.00 1.00 H new ATOM 0 HD12 LEU A 90 5.804 -8.336 -24.821 1.00 1.00 H new ATOM 0 HD13 LEU A 90 6.263 -6.841 -25.671 1.00 1.00 H new ATOM 0 HD21 LEU A 90 3.941 -6.895 -27.718 1.00 1.00 H new ATOM 0 HD22 LEU A 90 5.639 -6.528 -28.106 1.00 1.00 H new ATOM 0 HD23 LEU A 90 4.787 -7.827 -28.975 1.00 1.00 H new ATOM 1397 N GLY A 91 7.874 -11.663 -29.653 1.00 1.00 N ATOM 1398 CA GLY A 91 9.080 -12.406 -30.026 1.00 1.00 C ATOM 1399 C GLY A 91 9.866 -12.854 -28.788 1.00 1.00 C ATOM 1400 O GLY A 91 10.963 -13.405 -28.901 1.00 1.00 O ATOM 0 H GLY A 91 7.007 -12.061 -30.014 1.00 1.00 H new ATOM 0 HA2 GLY A 91 8.803 -13.278 -30.618 1.00 1.00 H new ATOM 0 HA3 GLY A 91 9.714 -11.781 -30.655 1.00 1.00 H new ATOM 1404 N SER A 92 9.285 -12.617 -27.606 1.00 1.00 N ATOM 1405 CA SER A 92 9.896 -12.982 -26.317 1.00 1.00 C ATOM 1406 C SER A 92 9.195 -14.219 -25.765 1.00 1.00 C ATOM 1407 O SER A 92 8.622 -14.182 -24.674 1.00 1.00 O ATOM 1408 CB SER A 92 9.714 -11.815 -25.327 1.00 1.00 C ATOM 1409 OG SER A 92 10.407 -12.115 -24.120 1.00 1.00 O ATOM 0 H SER A 92 8.375 -12.165 -27.513 1.00 1.00 H new ATOM 0 HA SER A 92 10.957 -13.189 -26.455 1.00 1.00 H new ATOM 0 HB2 SER A 92 10.097 -10.891 -25.761 1.00 1.00 H new ATOM 0 HB3 SER A 92 8.655 -11.657 -25.123 1.00 1.00 H new ATOM 0 HG SER A 92 10.007 -12.906 -23.701 1.00 1.00 H new ATOM 1415 N CYS A 93 9.187 -15.316 -26.531 1.00 1.00 N ATOM 1416 CA CYS A 93 8.479 -16.521 -26.079 1.00 1.00 C ATOM 1417 C CYS A 93 9.034 -16.992 -24.741 1.00 1.00 C ATOM 1418 O CYS A 93 8.340 -17.670 -23.984 1.00 1.00 O ATOM 1419 CB CYS A 93 8.581 -17.628 -27.115 1.00 1.00 C ATOM 1420 SG CYS A 93 10.333 -18.034 -27.311 1.00 1.00 S ATOM 0 H CYS A 93 9.646 -15.396 -27.438 1.00 1.00 H new ATOM 0 HA CYS A 93 7.426 -16.270 -25.951 1.00 1.00 H new ATOM 0 HB2 CYS A 93 8.018 -18.505 -26.795 1.00 1.00 H new ATOM 0 HB3 CYS A 93 8.154 -17.304 -28.064 1.00 1.00 H new ATOM 0 HG CYS A 93 10.454 -19.287 -27.635 1.00 1.00 H new ATOM 1426 N GLY A 94 10.275 -16.618 -24.443 1.00 1.00 N ATOM 1427 CA GLY A 94 10.888 -17.003 -23.183 1.00 1.00 C ATOM 1428 C GLY A 94 10.138 -16.391 -22.003 1.00 1.00 C ATOM 1429 O GLY A 94 10.337 -16.788 -20.853 1.00 1.00 O ATOM 0 H GLY A 94 10.868 -16.054 -25.052 1.00 1.00 H new ATOM 0 HA2 GLY A 94 10.892 -18.089 -23.093 1.00 1.00 H new ATOM 0 HA3 GLY A 94 11.928 -16.678 -23.166 1.00 1.00 H new ATOM 1433 N TYR A 95 9.257 -15.428 -22.302 1.00 1.00 N ATOM 1434 CA TYR A 95 8.448 -14.753 -21.278 1.00 1.00 C ATOM 1435 C TYR A 95 7.168 -14.200 -21.913 1.00 1.00 C ATOM 1436 O TYR A 95 7.227 -13.363 -22.814 1.00 1.00 O ATOM 1437 CB TYR A 95 9.253 -13.598 -20.658 1.00 1.00 C ATOM 1438 CG TYR A 95 10.503 -14.157 -19.985 1.00 1.00 C ATOM 1439 CD1 TYR A 95 10.376 -14.871 -18.781 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.780 -13.975 -20.554 1.00 1.00 C ATOM 1441 CE1 TYR A 95 11.509 -15.396 -18.154 1.00 1.00 C ATOM 1442 CE2 TYR A 95 12.911 -14.503 -19.919 1.00 1.00 C ATOM 1443 CZ TYR A 95 12.775 -15.215 -18.721 1.00 1.00 C ATOM 1444 OH TYR A 95 13.887 -15.737 -18.098 1.00 1.00 O ATOM 0 H TYR A 95 9.085 -15.097 -23.251 1.00 1.00 H new ATOM 0 HA TYR A 95 8.186 -15.470 -20.500 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.532 -12.879 -21.429 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.642 -13.064 -19.930 1.00 1.00 H new ATOM 0 HD1 TYR A 95 9.401 -15.014 -18.340 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.886 -13.428 -21.479 1.00 1.00 H new ATOM 0 HE1 TYR A 95 11.407 -15.943 -17.229 1.00 1.00 H new ATOM 0 HE2 TYR A 95 13.889 -14.361 -20.354 1.00 1.00 H new ATOM 0 HH TYR A 95 14.687 -15.523 -18.623 1.00 1.00 H new ATOM 1454 N VAL A 96 6.013 -14.666 -21.434 1.00 1.00 N ATOM 1455 CA VAL A 96 4.705 -14.228 -21.942 1.00 1.00 C ATOM 1456 C VAL A 96 4.102 -13.212 -20.968 1.00 1.00 C ATOM 1457 O VAL A 96 3.780 -13.550 -19.827 1.00 1.00 O ATOM 1458 CB VAL A 96 3.776 -15.466 -22.067 1.00 1.00 C ATOM 1459 CG1 VAL A 96 2.478 -15.086 -22.805 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.493 -16.582 -22.853 1.00 1.00 C ATOM 0 H VAL A 96 5.954 -15.356 -20.685 1.00 1.00 H new ATOM 0 HA VAL A 96 4.816 -13.760 -22.920 1.00 1.00 H new ATOM 0 HB VAL A 96 3.532 -15.819 -21.065 1.00 1.00 H new ATOM 0 HG11 VAL A 96 1.835 -15.963 -22.886 1.00 1.00 H new ATOM 0 HG12 VAL A 96 1.959 -14.306 -22.249 1.00 1.00 H new ATOM 0 HG13 VAL A 96 2.720 -14.720 -23.803 1.00 1.00 H new ATOM 0 HG21 VAL A 96 3.836 -17.448 -22.937 1.00 1.00 H new ATOM 0 HG22 VAL A 96 4.746 -16.220 -23.850 1.00 1.00 H new ATOM 0 HG23 VAL A 96 5.405 -16.868 -22.329 1.00 1.00 H new ATOM 1470 N TYR A 97 3.965 -11.960 -21.417 1.00 1.00 N ATOM 1471 CA TYR A 97 3.412 -10.884 -20.583 1.00 1.00 C ATOM 1472 C TYR A 97 1.905 -10.824 -20.780 1.00 1.00 C ATOM 1473 O TYR A 97 1.439 -10.798 -21.919 1.00 1.00 O ATOM 1474 CB TYR A 97 4.033 -9.546 -21.024 1.00 1.00 C ATOM 1475 CG TYR A 97 5.550 -9.670 -20.964 1.00 1.00 C ATOM 1476 CD1 TYR A 97 6.246 -10.199 -22.065 1.00 1.00 C ATOM 1477 CD2 TYR A 97 6.263 -9.267 -19.820 1.00 1.00 C ATOM 1478 CE1 TYR A 97 7.635 -10.325 -22.024 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.657 -9.393 -19.785 1.00 1.00 C ATOM 1480 CZ TYR A 97 8.341 -9.922 -20.888 1.00 1.00 C ATOM 1481 OH TYR A 97 9.712 -10.049 -20.851 1.00 1.00 O ATOM 0 H TYR A 97 4.230 -11.665 -22.357 1.00 1.00 H new ATOM 0 HA TYR A 97 3.637 -11.072 -19.533 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.714 -9.296 -22.036 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.694 -8.739 -20.374 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.703 -10.509 -22.946 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.736 -8.861 -18.970 1.00 1.00 H new ATOM 0 HE1 TYR A 97 8.165 -10.734 -22.871 1.00 1.00 H new ATOM 0 HE2 TYR A 97 8.205 -9.082 -18.908 1.00 1.00 H new ATOM 0 HH TYR A 97 10.048 -9.722 -19.990 1.00 1.00 H new ATOM 1491 N ILE A 98 1.139 -10.786 -19.684 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.331 -10.703 -19.765 1.00 1.00 C ATOM 1493 C ILE A 98 -0.842 -9.737 -18.707 1.00 1.00 C ATOM 1494 O ILE A 98 -0.142 -9.432 -17.742 1.00 1.00 O ATOM 1495 CB ILE A 98 -0.961 -12.111 -19.584 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -0.468 -12.731 -18.249 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -0.555 -13.022 -20.759 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.190 -14.055 -17.964 1.00 1.00 C ATOM 0 H ILE A 98 1.507 -10.811 -18.733 1.00 1.00 H new ATOM 0 HA ILE A 98 -0.620 -10.331 -20.748 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.047 -12.019 -19.563 1.00 1.00 H new ATOM 0 HG12 ILE A 98 0.608 -12.901 -18.297 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -0.644 -12.032 -17.431 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.000 -14.008 -20.626 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -0.908 -12.588 -21.695 1.00 1.00 H new ATOM 0 HG23 ILE A 98 0.531 -13.115 -20.789 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -0.829 -14.471 -17.024 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.263 -13.876 -17.893 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -0.992 -14.759 -18.772 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.067 -9.270 -18.892 1.00 1.00 N ATOM 1511 CA ALA A 99 -2.694 -8.346 -17.949 1.00 1.00 C ATOM 1512 C ALA A 99 -4.213 -8.521 -18.000 1.00 1.00 C ATOM 1513 O ALA A 99 -4.864 -8.188 -18.990 1.00 1.00 O ATOM 1514 CB ALA A 99 -2.309 -6.895 -18.274 1.00 1.00 C ATOM 0 H ALA A 99 -2.653 -9.515 -19.690 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.340 -8.570 -16.943 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.786 -6.223 -17.560 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.227 -6.783 -18.210 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -2.641 -6.648 -19.282 1.00 1.00 H new ATOM 1520 N VAL A 100 -4.756 -9.053 -16.896 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.191 -9.290 -16.738 1.00 1.00 C ATOM 1522 C VAL A 100 -6.818 -8.065 -16.093 1.00 1.00 C ATOM 1523 O VAL A 100 -6.271 -7.521 -15.133 1.00 1.00 O ATOM 1524 CB VAL A 100 -6.439 -10.511 -15.816 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -7.956 -10.815 -15.720 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -5.701 -11.735 -16.376 1.00 1.00 C ATOM 0 H VAL A 100 -4.205 -9.332 -16.084 1.00 1.00 H new ATOM 0 HA VAL A 100 -6.630 -9.484 -17.717 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.064 -10.282 -14.819 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -8.114 -11.675 -15.069 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -8.475 -9.949 -15.310 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -8.347 -11.035 -16.714 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -5.876 -12.593 -15.727 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -6.070 -11.956 -17.377 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -4.632 -11.526 -16.421 1.00 1.00 H new ATOM 1536 N TYR A 101 -7.970 -7.639 -16.613 1.00 1.00 N ATOM 1537 CA TYR A 101 -8.683 -6.476 -16.069 1.00 1.00 C ATOM 1538 C TYR A 101 -10.211 -6.697 -16.186 1.00 1.00 C ATOM 1539 O TYR A 101 -10.688 -7.006 -17.278 1.00 1.00 O ATOM 1540 CB TYR A 101 -8.276 -5.214 -16.854 1.00 1.00 C ATOM 1541 CG TYR A 101 -8.973 -4.002 -16.242 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -8.413 -3.370 -15.122 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -10.191 -3.539 -16.764 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -9.059 -2.286 -14.535 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -10.838 -2.451 -16.173 1.00 1.00 C ATOM 1546 CZ TYR A 101 -10.274 -1.824 -15.057 1.00 1.00 C ATOM 1547 OH TYR A 101 -10.910 -0.746 -14.473 1.00 1.00 O ATOM 0 H TYR A 101 -8.431 -8.079 -17.409 1.00 1.00 H new ATOM 0 HA TYR A 101 -8.422 -6.349 -15.018 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -7.194 -5.083 -16.821 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -8.553 -5.318 -17.903 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -7.478 -3.725 -14.714 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -10.629 -4.025 -17.624 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -8.623 -1.800 -13.675 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -11.774 -2.094 -16.578 1.00 1.00 H new ATOM 0 HH TYR A 101 -11.740 -0.554 -14.958 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.006 -6.545 -15.117 1.00 1.00 N ATOM 1558 CA PRO A 102 -12.492 -6.743 -15.213 1.00 1.00 C ATOM 1559 C PRO A 102 -13.162 -5.577 -15.955 1.00 1.00 C ATOM 1560 O PRO A 102 -12.734 -4.429 -15.839 1.00 1.00 O ATOM 1561 CB PRO A 102 -12.939 -6.842 -13.729 1.00 1.00 C ATOM 1562 CG PRO A 102 -11.949 -5.989 -12.987 1.00 1.00 C ATOM 1563 CD PRO A 102 -10.606 -6.174 -13.730 1.00 1.00 C ATOM 0 HA PRO A 102 -12.775 -7.626 -15.786 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.958 -6.478 -13.595 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -12.920 -7.873 -13.375 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -12.256 -4.943 -12.985 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -11.867 -6.299 -11.945 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -10.014 -5.259 -13.717 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -9.999 -6.953 -13.268 1.00 1.00 H new ATOM 1571 N THR A 103 -14.225 -5.882 -16.711 1.00 1.00 N ATOM 1572 CA THR A 103 -14.968 -4.857 -17.461 1.00 1.00 C ATOM 1573 C THR A 103 -15.985 -4.186 -16.540 1.00 1.00 C ATOM 1574 O THR A 103 -16.636 -4.855 -15.739 1.00 1.00 O ATOM 1575 CB THR A 103 -15.700 -5.508 -18.643 1.00 1.00 C ATOM 1576 OG1 THR A 103 -16.599 -6.492 -18.150 1.00 1.00 O ATOM 1577 CG2 THR A 103 -14.683 -6.167 -19.583 1.00 1.00 C ATOM 0 H THR A 103 -14.590 -6.828 -16.820 1.00 1.00 H new ATOM 0 HA THR A 103 -14.269 -4.110 -17.837 1.00 1.00 H new ATOM 0 HB THR A 103 -16.253 -4.747 -19.193 1.00 1.00 H new ATOM 0 HG1 THR A 103 -17.070 -6.910 -18.901 1.00 1.00 H new ATOM 0 HG21 THR A 103 -15.207 -6.628 -20.420 1.00 1.00 H new ATOM 0 HG22 THR A 103 -13.992 -5.412 -19.958 1.00 1.00 H new ATOM 0 HG23 THR A 103 -14.126 -6.930 -19.039 1.00 1.00 H new ATOM 1585 N GLN A 104 -16.117 -2.865 -16.649 1.00 1.00 N ATOM 1586 CA GLN A 104 -17.058 -2.126 -15.809 1.00 1.00 C ATOM 1587 C GLN A 104 -18.494 -2.543 -16.126 1.00 1.00 C ATOM 1588 O GLN A 104 -19.289 -2.803 -15.222 1.00 1.00 O ATOM 1589 CB GLN A 104 -16.873 -0.612 -16.056 1.00 1.00 C ATOM 1590 CG GLN A 104 -17.677 0.233 -15.039 1.00 1.00 C ATOM 1591 CD GLN A 104 -17.112 0.065 -13.629 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -17.851 -0.244 -12.694 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -15.838 0.249 -13.429 1.00 1.00 N ATOM 0 H GLN A 104 -15.589 -2.289 -17.305 1.00 1.00 H new ATOM 0 HA GLN A 104 -16.862 -2.350 -14.761 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -15.815 -0.358 -15.986 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -17.193 -0.366 -17.068 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -17.645 1.284 -15.326 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -18.724 -0.070 -15.055 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -15.231 0.505 -14.208 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -15.447 0.137 -12.493 1.00 1.00 H new