USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 559 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 65 TYR OH : rot -122:sc= 0.463 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.438 X(o=0.9,f=0.76) USER MOD Set 2.1: A 38 THR OG1 : rot -79:sc= 1.13 USER MOD Set 2.2: A 42 SER OG : rot -160:sc= 1.14 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 170:sc= -0.349 (180deg=-0.354) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0395 (180deg=-0.258) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.15) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.07! K(o=-2.1!,f=-4.5) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -167:sc= -1.5 (180deg=-2.14!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 53:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.27) USER MOD Single : A 49 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0234 USER MOD Single : A 52 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-5.9!) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= -1.39! (180deg=-1.45!) USER MOD Single : A 56 GLN : amide:sc= 0.0251 K(o=0.025,f=-2.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.113) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc=-0.00958 (180deg=-0.306) USER MOD Single : A 66 ASN : amide:sc= 0.236 X(o=0.24,f=-0.023) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 2.239 5.474 5.268 1.00 63.52 N ATOM 177 CA ILE A 12 0.899 5.566 4.792 1.00 43.55 C ATOM 178 C ILE A 12 -0.062 5.147 5.872 1.00 41.30 C ATOM 179 O ILE A 12 0.252 4.264 6.683 1.00 23.31 O ATOM 180 CB ILE A 12 0.704 4.588 3.616 1.00 61.12 C ATOM 181 CG1 ILE A 12 1.888 4.652 2.667 1.00 45.54 C ATOM 182 CG2 ILE A 12 -0.568 4.933 2.859 1.00 55.04 C ATOM 183 CD1 ILE A 12 1.793 3.676 1.536 1.00 63.11 C ATOM 0 HA ILE A 12 0.714 6.596 4.487 1.00 43.55 H new ATOM 0 HB ILE A 12 0.627 3.578 4.019 1.00 61.12 H new ATOM 0 HG12 ILE A 12 1.966 5.661 2.262 1.00 45.54 H new ATOM 0 HG13 ILE A 12 2.804 4.462 3.226 1.00 45.54 H new ATOM 0 HG21 ILE A 12 -0.698 4.237 2.030 1.00 55.04 H new ATOM 0 HG22 ILE A 12 -1.423 4.860 3.531 1.00 55.04 H new ATOM 0 HG23 ILE A 12 -0.497 5.949 2.472 1.00 55.04 H new ATOM 0 HD11 ILE A 12 2.670 3.774 0.896 1.00 63.11 H new ATOM 0 HD12 ILE A 12 1.745 2.662 1.933 1.00 63.11 H new ATOM 0 HD13 ILE A 12 0.894 3.880 0.954 1.00 63.11 H new ATOM 195 N ARG A 13 -1.194 5.783 5.909 1.00 45.44 N ATOM 196 CA ARG A 13 -2.265 5.354 6.737 1.00 52.54 C ATOM 197 C ARG A 13 -3.302 4.754 5.826 1.00 25.02 C ATOM 198 O ARG A 13 -3.247 4.953 4.615 1.00 2.13 O ATOM 199 CB ARG A 13 -2.883 6.498 7.524 1.00 23.42 C ATOM 200 CG ARG A 13 -1.942 7.194 8.488 1.00 75.34 C ATOM 201 CD ARG A 13 -2.712 8.198 9.320 1.00 42.32 C ATOM 202 NE ARG A 13 -3.751 7.522 10.114 1.00 52.03 N ATOM 203 CZ ARG A 13 -4.913 8.052 10.496 1.00 62.14 C ATOM 204 NH1 ARG A 13 -5.246 9.295 10.144 1.00 24.50 N ATOM 205 NH2 ARG A 13 -5.747 7.323 11.225 1.00 4.34 N ATOM 0 H ARG A 13 -1.395 6.619 5.360 1.00 45.44 H new ATOM 0 HA ARG A 13 -1.892 4.638 7.469 1.00 52.54 H new ATOM 0 HB2 ARG A 13 -3.270 7.236 6.821 1.00 23.42 H new ATOM 0 HB3 ARG A 13 -3.735 6.115 8.085 1.00 23.42 H new ATOM 0 HG2 ARG A 13 -1.463 6.461 9.137 1.00 75.34 H new ATOM 0 HG3 ARG A 13 -1.148 7.697 7.936 1.00 75.34 H new ATOM 0 HD2 ARG A 13 -2.029 8.730 9.982 1.00 42.32 H new ATOM 0 HD3 ARG A 13 -3.170 8.943 8.669 1.00 42.32 H new ATOM 0 HE ARG A 13 -3.565 6.560 10.398 1.00 52.03 H new ATOM 0 HH11 ARG A 13 -4.608 9.852 9.576 1.00 24.50 H new ATOM 0 HH12 ARG A 13 -6.138 9.688 10.443 1.00 24.50 H new ATOM 0 HH21 ARG A 13 -5.496 6.370 11.486 1.00 4.34 H new ATOM 0 HH22 ARG A 13 -6.640 7.716 11.524 1.00 4.34 H new ATOM 219 N TYR A 14 -4.243 4.041 6.379 1.00 25.22 N ATOM 220 CA TYR A 14 -5.279 3.398 5.570 1.00 61.05 C ATOM 221 C TYR A 14 -6.128 4.451 4.866 1.00 1.24 C ATOM 222 O TYR A 14 -6.650 4.230 3.772 1.00 43.35 O ATOM 223 CB TYR A 14 -6.145 2.513 6.454 1.00 64.32 C ATOM 224 CG TYR A 14 -5.330 1.532 7.251 1.00 71.12 C ATOM 225 CD1 TYR A 14 -4.753 0.434 6.645 1.00 11.00 C ATOM 226 CD2 TYR A 14 -5.121 1.718 8.610 1.00 2.11 C ATOM 227 CE1 TYR A 14 -3.989 -0.449 7.361 1.00 13.32 C ATOM 228 CE2 TYR A 14 -4.361 0.832 9.340 1.00 50.43 C ATOM 229 CZ TYR A 14 -3.792 -0.250 8.709 1.00 1.45 C ATOM 230 OH TYR A 14 -3.017 -1.134 9.431 1.00 3.21 O ATOM 0 H TYR A 14 -4.327 3.882 7.383 1.00 25.22 H new ATOM 0 HA TYR A 14 -4.806 2.777 4.809 1.00 61.05 H new ATOM 0 HB2 TYR A 14 -6.724 3.138 7.134 1.00 64.32 H new ATOM 0 HB3 TYR A 14 -6.858 1.970 5.834 1.00 64.32 H new ATOM 0 HD1 TYR A 14 -4.907 0.269 5.589 1.00 11.00 H new ATOM 0 HD2 TYR A 14 -5.562 2.572 9.103 1.00 2.11 H new ATOM 0 HE1 TYR A 14 -3.542 -1.300 6.869 1.00 13.32 H new ATOM 0 HE2 TYR A 14 -4.213 0.985 10.399 1.00 50.43 H new ATOM 0 HH TYR A 14 -2.980 -0.847 10.367 1.00 3.21 H new ATOM 240 N SER A 15 -6.214 5.605 5.497 1.00 30.40 N ATOM 241 CA SER A 15 -6.950 6.743 5.009 1.00 11.44 C ATOM 242 C SER A 15 -6.344 7.297 3.702 1.00 43.54 C ATOM 243 O SER A 15 -7.029 7.974 2.926 1.00 34.35 O ATOM 244 CB SER A 15 -6.886 7.813 6.071 1.00 44.22 C ATOM 245 OG SER A 15 -7.312 7.303 7.328 1.00 60.31 O ATOM 0 H SER A 15 -5.757 5.777 6.392 1.00 30.40 H new ATOM 0 HA SER A 15 -7.976 6.442 4.797 1.00 11.44 H new ATOM 0 HB2 SER A 15 -5.866 8.190 6.153 1.00 44.22 H new ATOM 0 HB3 SER A 15 -7.515 8.655 5.783 1.00 44.22 H new ATOM 0 HG SER A 15 -7.261 8.012 8.003 1.00 60.31 H new ATOM 251 N ASP A 16 -5.075 6.994 3.460 1.00 73.10 N ATOM 252 CA ASP A 16 -4.372 7.520 2.294 1.00 70.54 C ATOM 253 C ASP A 16 -4.623 6.688 1.083 1.00 43.45 C ATOM 254 O ASP A 16 -4.431 7.153 -0.019 1.00 24.10 O ATOM 255 CB ASP A 16 -2.846 7.532 2.487 1.00 72.11 C ATOM 256 CG ASP A 16 -2.320 8.477 3.522 1.00 13.02 C ATOM 257 OD1 ASP A 16 -2.037 9.633 3.178 1.00 53.42 O ATOM 258 OD2 ASP A 16 -2.116 8.059 4.677 1.00 21.33 O ATOM 0 H ASP A 16 -4.511 6.387 4.055 1.00 73.10 H new ATOM 0 HA ASP A 16 -4.753 8.534 2.169 1.00 70.54 H new ATOM 0 HB2 ASP A 16 -2.525 6.524 2.749 1.00 72.11 H new ATOM 0 HB3 ASP A 16 -2.381 7.776 1.532 1.00 72.11 H new ATOM 263 N VAL A 17 -5.035 5.470 1.274 1.00 12.05 N ATOM 264 CA VAL A 17 -5.134 4.531 0.156 1.00 31.55 C ATOM 265 C VAL A 17 -6.503 4.599 -0.549 1.00 44.51 C ATOM 266 O VAL A 17 -7.537 4.783 0.091 1.00 64.41 O ATOM 267 CB VAL A 17 -4.881 3.076 0.621 1.00 2.34 C ATOM 268 CG1 VAL A 17 -4.667 2.137 -0.556 1.00 41.24 C ATOM 269 CG2 VAL A 17 -3.755 2.982 1.638 1.00 43.13 C ATOM 0 H VAL A 17 -5.310 5.089 2.179 1.00 12.05 H new ATOM 0 HA VAL A 17 -4.364 4.829 -0.555 1.00 31.55 H new ATOM 0 HB VAL A 17 -5.786 2.748 1.132 1.00 2.34 H new ATOM 0 HG11 VAL A 17 -4.493 1.126 -0.188 1.00 41.24 H new ATOM 0 HG12 VAL A 17 -5.552 2.144 -1.193 1.00 41.24 H new ATOM 0 HG13 VAL A 17 -3.803 2.467 -1.132 1.00 41.24 H new ATOM 0 HG21 VAL A 17 -3.617 1.942 1.933 1.00 43.13 H new ATOM 0 HG22 VAL A 17 -2.833 3.360 1.196 1.00 43.13 H new ATOM 0 HG23 VAL A 17 -4.007 3.577 2.516 1.00 43.13 H new ATOM 279 N LYS A 18 -6.494 4.482 -1.866 1.00 40.02 N ATOM 280 CA LYS A 18 -7.733 4.362 -2.634 1.00 33.04 C ATOM 281 C LYS A 18 -7.808 2.953 -3.157 1.00 5.52 C ATOM 282 O LYS A 18 -8.876 2.332 -3.213 1.00 21.44 O ATOM 283 CB LYS A 18 -7.744 5.283 -3.852 1.00 32.01 C ATOM 284 CG LYS A 18 -9.127 5.393 -4.509 1.00 60.22 C ATOM 285 CD LYS A 18 -9.134 6.282 -5.748 1.00 33.20 C ATOM 286 CE LYS A 18 -8.294 5.703 -6.879 1.00 10.12 C ATOM 287 NZ LYS A 18 -8.326 6.569 -8.074 1.00 2.04 N ATOM 0 H LYS A 18 -5.645 4.467 -2.431 1.00 40.02 H new ATOM 0 HA LYS A 18 -8.565 4.626 -1.981 1.00 33.04 H new ATOM 0 HB2 LYS A 18 -7.410 6.276 -3.552 1.00 32.01 H new ATOM 0 HB3 LYS A 18 -7.028 4.914 -4.586 1.00 32.01 H new ATOM 0 HG2 LYS A 18 -9.472 4.396 -4.783 1.00 60.22 H new ATOM 0 HG3 LYS A 18 -9.837 5.788 -3.782 1.00 60.22 H new ATOM 0 HD2 LYS A 18 -10.160 6.415 -6.091 1.00 33.20 H new ATOM 0 HD3 LYS A 18 -8.755 7.270 -5.486 1.00 33.20 H new ATOM 0 HE2 LYS A 18 -7.264 5.582 -6.544 1.00 10.12 H new ATOM 0 HE3 LYS A 18 -8.664 4.711 -7.137 1.00 10.12 H new ATOM 0 HZ1 LYS A 18 -7.744 6.146 -8.825 1.00 2.04 H new ATOM 0 HZ2 LYS A 18 -9.306 6.664 -8.408 1.00 2.04 H new ATOM 0 HZ3 LYS A 18 -7.950 7.508 -7.832 1.00 2.04 H new ATOM 301 N LYS A 19 -6.652 2.455 -3.521 1.00 63.11 N ATOM 302 CA LYS A 19 -6.514 1.181 -4.135 1.00 54.11 C ATOM 303 C LYS A 19 -5.160 0.611 -3.784 1.00 23.22 C ATOM 304 O LYS A 19 -4.160 1.351 -3.688 1.00 11.52 O ATOM 305 CB LYS A 19 -6.653 1.327 -5.649 1.00 31.33 C ATOM 306 CG LYS A 19 -6.618 0.021 -6.396 1.00 24.21 C ATOM 307 CD LYS A 19 -6.830 0.234 -7.867 1.00 14.54 C ATOM 308 CE LYS A 19 -6.899 -1.085 -8.608 1.00 64.11 C ATOM 309 NZ LYS A 19 -7.139 -0.890 -10.045 1.00 35.55 N ATOM 0 H LYS A 19 -5.767 2.945 -3.390 1.00 63.11 H new ATOM 0 HA LYS A 19 -7.291 0.506 -3.776 1.00 54.11 H new ATOM 0 HB2 LYS A 19 -7.592 1.835 -5.870 1.00 31.33 H new ATOM 0 HB3 LYS A 19 -5.850 1.966 -6.017 1.00 31.33 H new ATOM 0 HG2 LYS A 19 -5.659 -0.470 -6.231 1.00 24.21 H new ATOM 0 HG3 LYS A 19 -7.388 -0.645 -6.007 1.00 24.21 H new ATOM 0 HD2 LYS A 19 -7.752 0.792 -8.027 1.00 14.54 H new ATOM 0 HD3 LYS A 19 -6.017 0.838 -8.270 1.00 14.54 H new ATOM 0 HE2 LYS A 19 -5.967 -1.631 -8.466 1.00 64.11 H new ATOM 0 HE3 LYS A 19 -7.695 -1.698 -8.186 1.00 64.11 H new ATOM 0 HZ1 LYS A 19 -7.180 -1.815 -10.519 1.00 35.55 H new ATOM 0 HZ2 LYS A 19 -8.041 -0.391 -10.182 1.00 35.55 H new ATOM 0 HZ3 LYS A 19 -6.366 -0.326 -10.453 1.00 35.55 H new ATOM 323 N LEU A 20 -5.124 -0.667 -3.592 1.00 11.10 N ATOM 324 CA LEU A 20 -3.940 -1.362 -3.195 1.00 71.35 C ATOM 325 C LEU A 20 -3.585 -2.316 -4.332 1.00 24.21 C ATOM 326 O LEU A 20 -4.401 -3.160 -4.700 1.00 70.04 O ATOM 327 CB LEU A 20 -4.296 -2.106 -1.879 1.00 40.41 C ATOM 328 CG LEU A 20 -3.205 -2.830 -1.071 1.00 73.03 C ATOM 329 CD1 LEU A 20 -3.805 -3.287 0.254 1.00 32.23 C ATOM 330 CD2 LEU A 20 -2.648 -4.041 -1.822 1.00 32.13 C ATOM 0 H LEU A 20 -5.936 -1.273 -3.709 1.00 11.10 H new ATOM 0 HA LEU A 20 -3.080 -0.718 -3.012 1.00 71.35 H new ATOM 0 HB2 LEU A 20 -4.759 -1.378 -1.213 1.00 40.41 H new ATOM 0 HB3 LEU A 20 -5.059 -2.845 -2.124 1.00 40.41 H new ATOM 0 HG LEU A 20 -2.380 -2.137 -0.907 1.00 73.03 H new ATOM 0 HD11 LEU A 20 -3.044 -3.803 0.839 1.00 32.23 H new ATOM 0 HD12 LEU A 20 -4.164 -2.420 0.809 1.00 32.23 H new ATOM 0 HD13 LEU A 20 -4.636 -3.965 0.062 1.00 32.23 H new ATOM 0 HD21 LEU A 20 -1.881 -4.523 -1.216 1.00 32.13 H new ATOM 0 HD22 LEU A 20 -3.453 -4.749 -2.019 1.00 32.13 H new ATOM 0 HD23 LEU A 20 -2.213 -3.715 -2.767 1.00 32.13 H new ATOM 342 N GLU A 21 -2.396 -2.190 -4.885 1.00 3.44 N ATOM 343 CA GLU A 21 -2.008 -3.002 -6.008 1.00 1.41 C ATOM 344 C GLU A 21 -0.772 -3.766 -5.714 1.00 22.34 C ATOM 345 O GLU A 21 0.175 -3.235 -5.168 1.00 21.23 O ATOM 346 CB GLU A 21 -1.809 -2.139 -7.247 1.00 0.42 C ATOM 347 CG GLU A 21 -3.090 -1.616 -7.833 1.00 64.42 C ATOM 348 CD GLU A 21 -3.901 -2.711 -8.464 1.00 72.23 C ATOM 349 OE1 GLU A 21 -4.653 -3.396 -7.768 1.00 32.15 O ATOM 350 OE2 GLU A 21 -3.781 -2.906 -9.685 1.00 41.23 O ATOM 0 H GLU A 21 -1.684 -1.530 -4.571 1.00 3.44 H new ATOM 0 HA GLU A 21 -2.811 -3.714 -6.199 1.00 1.41 H new ATOM 0 HB2 GLU A 21 -1.166 -1.296 -6.992 1.00 0.42 H new ATOM 0 HB3 GLU A 21 -1.285 -2.722 -8.004 1.00 0.42 H new ATOM 0 HG2 GLU A 21 -3.677 -1.133 -7.052 1.00 64.42 H new ATOM 0 HG3 GLU A 21 -2.864 -0.854 -8.579 1.00 64.42 H new ATOM 357 N MET A 22 -0.778 -5.017 -6.027 1.00 61.42 N ATOM 358 CA MET A 22 0.407 -5.779 -5.882 1.00 63.03 C ATOM 359 C MET A 22 1.007 -6.088 -7.218 1.00 70.32 C ATOM 360 O MET A 22 0.444 -6.836 -8.014 1.00 4.40 O ATOM 361 CB MET A 22 0.177 -7.049 -5.084 1.00 31.23 C ATOM 362 CG MET A 22 -0.157 -6.813 -3.628 1.00 44.33 C ATOM 363 SD MET A 22 -0.289 -8.345 -2.695 1.00 33.22 S ATOM 364 CE MET A 22 -0.663 -7.703 -1.072 1.00 72.41 C ATOM 0 H MET A 22 -1.586 -5.528 -6.382 1.00 61.42 H new ATOM 0 HA MET A 22 1.114 -5.171 -5.318 1.00 63.03 H new ATOM 0 HB2 MET A 22 -0.634 -7.613 -5.545 1.00 31.23 H new ATOM 0 HB3 MET A 22 1.071 -7.670 -5.144 1.00 31.23 H new ATOM 0 HG2 MET A 22 0.612 -6.183 -3.180 1.00 44.33 H new ATOM 0 HG3 MET A 22 -1.098 -6.267 -3.558 1.00 44.33 H new ATOM 0 HE1 MET A 22 -0.950 -8.523 -0.414 1.00 72.41 H new ATOM 0 HE2 MET A 22 0.217 -7.203 -0.667 1.00 72.41 H new ATOM 0 HE3 MET A 22 -1.484 -6.990 -1.143 1.00 72.41 H new ATOM 374 N LYS A 23 2.139 -5.504 -7.457 1.00 31.40 N ATOM 375 CA LYS A 23 2.920 -5.722 -8.632 1.00 44.42 C ATOM 376 C LYS A 23 4.336 -5.305 -8.334 1.00 5.34 C ATOM 377 O LYS A 23 4.537 -4.330 -7.626 1.00 64.14 O ATOM 378 CB LYS A 23 2.282 -5.109 -9.947 1.00 75.31 C ATOM 379 CG LYS A 23 1.933 -3.603 -9.987 1.00 3.32 C ATOM 380 CD LYS A 23 3.153 -2.696 -10.069 1.00 53.53 C ATOM 381 CE LYS A 23 2.750 -1.221 -10.237 1.00 53.31 C ATOM 382 NZ LYS A 23 2.017 -0.973 -11.498 1.00 2.41 N ATOM 0 H LYS A 23 2.560 -4.835 -6.812 1.00 31.40 H new ATOM 0 HA LYS A 23 2.932 -6.783 -8.881 1.00 44.42 H new ATOM 0 HB2 LYS A 23 2.970 -5.308 -10.769 1.00 75.31 H new ATOM 0 HB3 LYS A 23 1.367 -5.663 -10.156 1.00 75.31 H new ATOM 0 HG2 LYS A 23 1.289 -3.411 -10.845 1.00 3.32 H new ATOM 0 HG3 LYS A 23 1.360 -3.348 -9.095 1.00 3.32 H new ATOM 0 HD2 LYS A 23 3.753 -2.810 -9.166 1.00 53.53 H new ATOM 0 HD3 LYS A 23 3.778 -3.001 -10.908 1.00 53.53 H new ATOM 0 HE2 LYS A 23 2.128 -0.920 -9.394 1.00 53.31 H new ATOM 0 HE3 LYS A 23 3.644 -0.598 -10.212 1.00 53.31 H new ATOM 0 HZ1 LYS A 23 1.991 0.049 -11.689 1.00 2.41 H new ATOM 0 HZ2 LYS A 23 2.499 -1.459 -12.281 1.00 2.41 H new ATOM 0 HZ3 LYS A 23 1.045 -1.334 -11.412 1.00 2.41 H new ATOM 396 N PRO A 24 5.339 -6.042 -8.830 1.00 43.24 N ATOM 397 CA PRO A 24 6.756 -5.807 -8.487 1.00 11.11 C ATOM 398 C PRO A 24 7.281 -4.429 -8.842 1.00 14.33 C ATOM 399 O PRO A 24 8.363 -4.062 -8.396 1.00 31.41 O ATOM 400 CB PRO A 24 7.509 -6.870 -9.279 1.00 32.11 C ATOM 401 CG PRO A 24 6.566 -7.286 -10.347 1.00 14.03 C ATOM 402 CD PRO A 24 5.197 -7.169 -9.763 1.00 73.40 C ATOM 0 HA PRO A 24 6.887 -5.864 -7.406 1.00 11.11 H new ATOM 0 HB2 PRO A 24 8.432 -6.470 -9.700 1.00 32.11 H new ATOM 0 HB3 PRO A 24 7.786 -7.713 -8.646 1.00 32.11 H new ATOM 0 HG2 PRO A 24 6.669 -6.651 -11.227 1.00 14.03 H new ATOM 0 HG3 PRO A 24 6.767 -8.309 -10.667 1.00 14.03 H new ATOM 0 HD2 PRO A 24 4.446 -6.970 -10.528 1.00 73.40 H new ATOM 0 HD3 PRO A 24 4.896 -8.083 -9.251 1.00 73.40 H new ATOM 410 N LYS A 25 6.513 -3.681 -9.659 1.00 61.14 N ATOM 411 CA LYS A 25 6.879 -2.347 -10.150 1.00 73.21 C ATOM 412 C LYS A 25 8.007 -2.467 -11.184 1.00 41.53 C ATOM 413 O LYS A 25 7.925 -1.919 -12.287 1.00 25.23 O ATOM 414 CB LYS A 25 7.246 -1.422 -8.990 1.00 2.41 C ATOM 415 CG LYS A 25 7.424 0.028 -9.369 1.00 44.21 C ATOM 416 CD LYS A 25 7.588 0.837 -8.123 1.00 54.14 C ATOM 417 CE LYS A 25 7.786 2.323 -8.400 1.00 74.31 C ATOM 418 NZ LYS A 25 6.590 2.974 -9.001 1.00 4.03 N ATOM 0 H LYS A 25 5.605 -3.997 -10.000 1.00 61.14 H new ATOM 0 HA LYS A 25 6.020 -1.895 -10.647 1.00 73.21 H new ATOM 0 HB2 LYS A 25 6.469 -1.491 -8.229 1.00 2.41 H new ATOM 0 HB3 LYS A 25 8.170 -1.780 -8.536 1.00 2.41 H new ATOM 0 HG2 LYS A 25 8.296 0.145 -10.012 1.00 44.21 H new ATOM 0 HG3 LYS A 25 6.561 0.378 -9.935 1.00 44.21 H new ATOM 0 HD2 LYS A 25 6.709 0.705 -7.492 1.00 54.14 H new ATOM 0 HD3 LYS A 25 8.443 0.460 -7.562 1.00 54.14 H new ATOM 0 HE2 LYS A 25 8.037 2.829 -7.468 1.00 74.31 H new ATOM 0 HE3 LYS A 25 8.636 2.451 -9.070 1.00 74.31 H new ATOM 0 HZ1 LYS A 25 6.806 3.969 -9.212 1.00 4.03 H new ATOM 0 HZ2 LYS A 25 6.332 2.482 -9.880 1.00 4.03 H new ATOM 0 HZ3 LYS A 25 5.796 2.926 -8.332 1.00 4.03 H new ATOM 432 N TYR A 26 9.026 -3.220 -10.826 1.00 4.44 N ATOM 433 CA TYR A 26 10.121 -3.561 -11.677 1.00 12.44 C ATOM 434 C TYR A 26 10.351 -5.067 -11.628 1.00 14.51 C ATOM 435 O TYR A 26 10.227 -5.673 -10.576 1.00 45.34 O ATOM 436 CB TYR A 26 11.383 -2.821 -11.252 1.00 72.32 C ATOM 437 CG TYR A 26 11.374 -1.360 -11.583 1.00 51.03 C ATOM 438 CD1 TYR A 26 11.863 -0.931 -12.801 1.00 12.35 C ATOM 439 CD2 TYR A 26 10.882 -0.413 -10.695 1.00 30.02 C ATOM 440 CE1 TYR A 26 11.863 0.404 -13.135 1.00 75.42 C ATOM 441 CE2 TYR A 26 10.877 0.925 -11.019 1.00 54.23 C ATOM 442 CZ TYR A 26 11.369 1.332 -12.240 1.00 72.50 C ATOM 443 OH TYR A 26 11.367 2.668 -12.570 1.00 55.23 O ATOM 0 H TYR A 26 9.107 -3.623 -9.892 1.00 4.44 H new ATOM 0 HA TYR A 26 9.882 -3.264 -12.698 1.00 12.44 H new ATOM 0 HB2 TYR A 26 11.516 -2.938 -10.177 1.00 72.32 H new ATOM 0 HB3 TYR A 26 12.244 -3.286 -11.732 1.00 72.32 H new ATOM 0 HD1 TYR A 26 12.252 -1.654 -13.502 1.00 12.35 H new ATOM 0 HD2 TYR A 26 10.498 -0.730 -9.737 1.00 30.02 H new ATOM 0 HE1 TYR A 26 12.247 0.724 -14.092 1.00 75.42 H new ATOM 0 HE2 TYR A 26 10.490 1.652 -10.320 1.00 54.23 H new ATOM 0 HH TYR A 26 10.985 3.187 -11.831 1.00 55.23 H new ATOM 453 N PRO A 27 10.687 -5.700 -12.767 1.00 50.55 N ATOM 454 CA PRO A 27 10.928 -7.162 -12.835 1.00 11.01 C ATOM 455 C PRO A 27 12.172 -7.566 -12.039 1.00 62.32 C ATOM 456 O PRO A 27 12.344 -8.717 -11.656 1.00 34.43 O ATOM 457 CB PRO A 27 11.154 -7.412 -14.329 1.00 32.22 C ATOM 458 CG PRO A 27 11.606 -6.098 -14.861 1.00 30.23 C ATOM 459 CD PRO A 27 10.846 -5.064 -14.090 1.00 41.45 C ATOM 0 HA PRO A 27 10.105 -7.738 -12.412 1.00 11.01 H new ATOM 0 HB2 PRO A 27 11.904 -8.186 -14.493 1.00 32.22 H new ATOM 0 HB3 PRO A 27 10.239 -7.745 -14.819 1.00 32.22 H new ATOM 0 HG2 PRO A 27 12.681 -5.972 -14.730 1.00 30.23 H new ATOM 0 HG3 PRO A 27 11.403 -6.017 -15.929 1.00 30.23 H new ATOM 0 HD2 PRO A 27 11.394 -4.124 -14.024 1.00 41.45 H new ATOM 0 HD3 PRO A 27 9.884 -4.841 -14.551 1.00 41.45 H new ATOM 467 N HIS A 28 13.008 -6.584 -11.767 1.00 52.14 N ATOM 468 CA HIS A 28 14.243 -6.778 -11.020 1.00 2.44 C ATOM 469 C HIS A 28 14.001 -6.649 -9.503 1.00 61.13 C ATOM 470 O HIS A 28 14.923 -6.401 -8.736 1.00 63.13 O ATOM 471 CB HIS A 28 15.359 -5.805 -11.510 1.00 5.10 C ATOM 472 CG HIS A 28 15.043 -4.325 -11.443 1.00 35.23 C ATOM 473 ND1 HIS A 28 15.286 -3.562 -10.340 1.00 30.23 N ATOM 474 CD2 HIS A 28 14.535 -3.464 -12.374 1.00 0.04 C ATOM 475 CE1 HIS A 28 14.950 -2.314 -10.587 1.00 61.34 C ATOM 476 NE2 HIS A 28 14.504 -2.235 -11.803 1.00 31.25 N ATOM 0 H HIS A 28 12.851 -5.619 -12.059 1.00 52.14 H new ATOM 0 HA HIS A 28 14.592 -7.793 -11.209 1.00 2.44 H new ATOM 0 HB2 HIS A 28 16.256 -5.989 -10.919 1.00 5.10 H new ATOM 0 HB3 HIS A 28 15.601 -6.056 -12.543 1.00 5.10 H new ATOM 0 HD2 HIS A 28 14.218 -3.715 -13.375 1.00 0.04 H new ATOM 0 HE1 HIS A 28 15.032 -1.491 -9.892 1.00 61.34 H new ATOM 0 HE2 HIS A 28 14.181 -1.381 -12.258 1.00 31.25 H new ATOM 485 N CYS A 29 12.763 -6.844 -9.102 1.00 3.10 N ATOM 486 CA CYS A 29 12.354 -6.818 -7.710 1.00 31.15 C ATOM 487 C CYS A 29 11.799 -8.187 -7.321 1.00 62.23 C ATOM 488 O CYS A 29 11.278 -8.914 -8.189 1.00 14.52 O ATOM 489 CB CYS A 29 11.282 -5.746 -7.559 1.00 22.12 C ATOM 490 SG CYS A 29 11.902 -4.066 -7.837 1.00 32.34 S ATOM 0 H CYS A 29 11.995 -7.029 -9.747 1.00 3.10 H new ATOM 0 HA CYS A 29 13.198 -6.592 -7.059 1.00 31.15 H new ATOM 0 HB2 CYS A 29 10.474 -5.948 -8.262 1.00 22.12 H new ATOM 0 HB3 CYS A 29 10.856 -5.807 -6.558 1.00 22.12 H new ATOM 0 HG CYS A 29 10.930 -3.215 -7.692 1.00 32.34 H new ATOM 495 N GLU A 30 11.919 -8.564 -6.050 1.00 33.03 N ATOM 496 CA GLU A 30 11.437 -9.840 -5.599 1.00 30.01 C ATOM 497 C GLU A 30 9.984 -9.828 -5.179 1.00 74.24 C ATOM 498 O GLU A 30 9.569 -8.972 -4.372 1.00 45.25 O ATOM 499 CB GLU A 30 12.341 -10.450 -4.536 1.00 14.14 C ATOM 500 CG GLU A 30 13.276 -9.506 -3.847 1.00 5.54 C ATOM 501 CD GLU A 30 12.617 -8.373 -3.086 1.00 3.22 C ATOM 502 OE1 GLU A 30 12.195 -8.568 -1.943 1.00 73.31 O ATOM 503 OE2 GLU A 30 12.549 -7.265 -3.614 1.00 13.54 O ATOM 0 H GLU A 30 12.349 -7.993 -5.323 1.00 33.03 H new ATOM 0 HA GLU A 30 11.479 -10.493 -6.471 1.00 30.01 H new ATOM 0 HB2 GLU A 30 11.713 -10.923 -3.781 1.00 14.14 H new ATOM 0 HB3 GLU A 30 12.931 -11.240 -5.000 1.00 14.14 H new ATOM 0 HG2 GLU A 30 13.893 -10.076 -3.153 1.00 5.54 H new ATOM 0 HG3 GLU A 30 13.947 -9.078 -4.592 1.00 5.54 H new ATOM 510 N GLU A 31 9.211 -10.813 -5.696 1.00 11.11 N ATOM 511 CA GLU A 31 7.788 -10.984 -5.370 1.00 43.31 C ATOM 512 C GLU A 31 6.957 -9.776 -5.893 1.00 24.04 C ATOM 513 O GLU A 31 7.486 -8.894 -6.591 1.00 2.24 O ATOM 514 CB GLU A 31 7.677 -11.197 -3.841 1.00 40.24 C ATOM 515 CG GLU A 31 6.322 -11.455 -3.225 1.00 63.33 C ATOM 516 CD GLU A 31 6.468 -11.669 -1.741 1.00 11.21 C ATOM 517 OE1 GLU A 31 6.715 -10.683 -1.010 1.00 35.24 O ATOM 518 OE2 GLU A 31 6.412 -12.830 -1.288 1.00 42.03 O ATOM 0 H GLU A 31 9.565 -11.509 -6.352 1.00 11.11 H new ATOM 0 HA GLU A 31 7.368 -11.858 -5.868 1.00 43.31 H new ATOM 0 HB2 GLU A 31 8.320 -12.037 -3.580 1.00 40.24 H new ATOM 0 HB3 GLU A 31 8.094 -10.314 -3.357 1.00 40.24 H new ATOM 0 HG2 GLU A 31 5.659 -10.611 -3.416 1.00 63.33 H new ATOM 0 HG3 GLU A 31 5.864 -12.331 -3.685 1.00 63.33 H new ATOM 525 N LYS A 32 5.680 -9.776 -5.629 1.00 14.44 N ATOM 526 CA LYS A 32 4.818 -8.687 -5.999 1.00 64.05 C ATOM 527 C LYS A 32 4.810 -7.628 -4.924 1.00 2.34 C ATOM 528 O LYS A 32 4.281 -7.830 -3.824 1.00 21.30 O ATOM 529 CB LYS A 32 3.397 -9.179 -6.344 1.00 33.30 C ATOM 530 CG LYS A 32 3.239 -9.782 -7.749 1.00 14.20 C ATOM 531 CD LYS A 32 4.246 -10.878 -8.041 1.00 21.55 C ATOM 532 CE LYS A 32 4.054 -11.453 -9.443 1.00 75.43 C ATOM 533 NZ LYS A 32 5.072 -12.486 -9.779 1.00 13.41 N ATOM 0 H LYS A 32 5.204 -10.538 -5.147 1.00 14.44 H new ATOM 0 HA LYS A 32 5.215 -8.231 -6.906 1.00 64.05 H new ATOM 0 HB2 LYS A 32 3.100 -9.927 -5.609 1.00 33.30 H new ATOM 0 HB3 LYS A 32 2.705 -8.342 -6.245 1.00 33.30 H new ATOM 0 HG2 LYS A 32 2.232 -10.185 -7.854 1.00 14.20 H new ATOM 0 HG3 LYS A 32 3.345 -8.991 -8.492 1.00 14.20 H new ATOM 0 HD2 LYS A 32 5.256 -10.481 -7.944 1.00 21.55 H new ATOM 0 HD3 LYS A 32 4.144 -11.674 -7.303 1.00 21.55 H new ATOM 0 HE2 LYS A 32 3.058 -11.890 -9.520 1.00 75.43 H new ATOM 0 HE3 LYS A 32 4.105 -10.646 -10.174 1.00 75.43 H new ATOM 0 HZ1 LYS A 32 4.899 -12.845 -10.740 1.00 13.41 H new ATOM 0 HZ2 LYS A 32 6.022 -12.065 -9.733 1.00 13.41 H new ATOM 0 HZ3 LYS A 32 5.008 -13.271 -9.100 1.00 13.41 H new ATOM 547 N MET A 33 5.441 -6.527 -5.251 1.00 13.24 N ATOM 548 CA MET A 33 5.583 -5.374 -4.402 1.00 73.11 C ATOM 549 C MET A 33 4.243 -4.729 -4.098 1.00 52.50 C ATOM 550 O MET A 33 3.261 -4.918 -4.828 1.00 12.52 O ATOM 551 CB MET A 33 6.504 -4.381 -5.092 1.00 40.42 C ATOM 552 CG MET A 33 7.936 -4.887 -5.260 1.00 21.31 C ATOM 553 SD MET A 33 8.826 -4.959 -3.709 1.00 52.01 S ATOM 554 CE MET A 33 8.834 -3.221 -3.353 1.00 41.34 C ATOM 0 H MET A 33 5.890 -6.407 -6.159 1.00 13.24 H new ATOM 0 HA MET A 33 6.008 -5.687 -3.448 1.00 73.11 H new ATOM 0 HB2 MET A 33 6.095 -4.141 -6.074 1.00 40.42 H new ATOM 0 HB3 MET A 33 6.520 -3.454 -4.518 1.00 40.42 H new ATOM 0 HG2 MET A 33 7.916 -5.880 -5.710 1.00 21.31 H new ATOM 0 HG3 MET A 33 8.469 -4.234 -5.951 1.00 21.31 H new ATOM 0 HE1 MET A 33 9.538 -3.018 -2.546 1.00 41.34 H new ATOM 0 HE2 MET A 33 9.134 -2.669 -4.243 1.00 41.34 H new ATOM 0 HE3 MET A 33 7.835 -2.907 -3.051 1.00 41.34 H new ATOM 564 N VAL A 34 4.218 -3.971 -3.043 1.00 74.33 N ATOM 565 CA VAL A 34 3.019 -3.322 -2.596 1.00 34.22 C ATOM 566 C VAL A 34 2.967 -1.908 -3.134 1.00 61.13 C ATOM 567 O VAL A 34 3.801 -1.059 -2.795 1.00 62.21 O ATOM 568 CB VAL A 34 2.930 -3.315 -1.056 1.00 15.44 C ATOM 569 CG1 VAL A 34 1.702 -2.554 -0.586 1.00 62.51 C ATOM 570 CG2 VAL A 34 2.902 -4.740 -0.524 1.00 31.42 C ATOM 0 H VAL A 34 5.035 -3.783 -2.462 1.00 74.33 H new ATOM 0 HA VAL A 34 2.164 -3.881 -2.977 1.00 34.22 H new ATOM 0 HB VAL A 34 3.813 -2.809 -0.666 1.00 15.44 H new ATOM 0 HG11 VAL A 34 1.663 -2.564 0.503 1.00 62.51 H new ATOM 0 HG12 VAL A 34 1.756 -1.524 -0.938 1.00 62.51 H new ATOM 0 HG13 VAL A 34 0.805 -3.028 -0.986 1.00 62.51 H new ATOM 0 HG21 VAL A 34 2.839 -4.721 0.564 1.00 31.42 H new ATOM 0 HG22 VAL A 34 2.035 -5.262 -0.929 1.00 31.42 H new ATOM 0 HG23 VAL A 34 3.812 -5.259 -0.826 1.00 31.42 H new ATOM 580 N ILE A 35 2.014 -1.671 -3.978 1.00 11.45 N ATOM 581 CA ILE A 35 1.832 -0.399 -4.599 1.00 33.40 C ATOM 582 C ILE A 35 0.605 0.230 -4.009 1.00 22.14 C ATOM 583 O ILE A 35 -0.500 -0.312 -4.116 1.00 33.34 O ATOM 584 CB ILE A 35 1.599 -0.574 -6.104 1.00 22.34 C ATOM 585 CG1 ILE A 35 2.670 -1.484 -6.699 1.00 42.43 C ATOM 586 CG2 ILE A 35 1.572 0.777 -6.810 1.00 32.45 C ATOM 587 CD1 ILE A 35 4.099 -0.958 -6.608 1.00 22.52 C ATOM 0 H ILE A 35 1.327 -2.370 -4.260 1.00 11.45 H new ATOM 0 HA ILE A 35 2.717 0.217 -4.438 1.00 33.40 H new ATOM 0 HB ILE A 35 0.627 -1.044 -6.254 1.00 22.34 H new ATOM 0 HG12 ILE A 35 2.623 -2.449 -6.195 1.00 42.43 H new ATOM 0 HG13 ILE A 35 2.432 -1.660 -7.748 1.00 42.43 H new ATOM 0 HG21 ILE A 35 1.405 0.627 -7.877 1.00 32.45 H new ATOM 0 HG22 ILE A 35 0.767 1.386 -6.399 1.00 32.45 H new ATOM 0 HG23 ILE A 35 2.524 1.285 -6.660 1.00 32.45 H new ATOM 0 HD11 ILE A 35 4.781 -1.679 -7.059 1.00 22.52 H new ATOM 0 HD12 ILE A 35 4.172 -0.009 -7.138 1.00 22.52 H new ATOM 0 HD13 ILE A 35 4.366 -0.810 -5.562 1.00 22.52 H new ATOM 599 N ILE A 36 0.776 1.331 -3.383 1.00 3.51 N ATOM 600 CA ILE A 36 -0.323 1.985 -2.753 1.00 31.43 C ATOM 601 C ILE A 36 -0.724 3.215 -3.518 1.00 31.33 C ATOM 602 O ILE A 36 0.018 4.190 -3.574 1.00 34.33 O ATOM 603 CB ILE A 36 0.006 2.335 -1.292 1.00 23.32 C ATOM 604 CG1 ILE A 36 0.254 1.054 -0.477 1.00 51.14 C ATOM 605 CG2 ILE A 36 -1.094 3.177 -0.669 1.00 61.51 C ATOM 606 CD1 ILE A 36 -0.946 0.135 -0.378 1.00 35.21 C ATOM 0 H ILE A 36 1.672 1.809 -3.288 1.00 3.51 H new ATOM 0 HA ILE A 36 -1.167 1.295 -2.752 1.00 31.43 H new ATOM 0 HB ILE A 36 0.919 2.930 -1.280 1.00 23.32 H new ATOM 0 HG12 ILE A 36 1.081 0.505 -0.928 1.00 51.14 H new ATOM 0 HG13 ILE A 36 0.567 1.333 0.529 1.00 51.14 H new ATOM 0 HG21 ILE A 36 -0.834 3.409 0.364 1.00 61.51 H new ATOM 0 HG22 ILE A 36 -1.206 4.104 -1.232 1.00 61.51 H new ATOM 0 HG23 ILE A 36 -2.033 2.623 -0.691 1.00 61.51 H new ATOM 0 HD11 ILE A 36 -0.684 -0.743 0.213 1.00 35.21 H new ATOM 0 HD12 ILE A 36 -1.770 0.663 0.102 1.00 35.21 H new ATOM 0 HD13 ILE A 36 -1.248 -0.177 -1.378 1.00 35.21 H new ATOM 618 N THR A 37 -1.902 3.180 -4.074 1.00 43.13 N ATOM 619 CA THR A 37 -2.417 4.273 -4.840 1.00 30.43 C ATOM 620 C THR A 37 -3.267 5.111 -3.898 1.00 3.33 C ATOM 621 O THR A 37 -4.128 4.569 -3.195 1.00 34.33 O ATOM 622 CB THR A 37 -3.282 3.718 -5.988 1.00 62.23 C ATOM 623 OG1 THR A 37 -2.510 2.748 -6.718 1.00 15.32 O ATOM 624 CG2 THR A 37 -3.700 4.830 -6.932 1.00 33.05 C ATOM 0 H THR A 37 -2.535 2.383 -4.006 1.00 43.13 H new ATOM 0 HA THR A 37 -1.617 4.876 -5.271 1.00 30.43 H new ATOM 0 HB THR A 37 -4.179 3.261 -5.569 1.00 62.23 H new ATOM 0 HG1 THR A 37 -3.050 2.385 -7.451 1.00 15.32 H new ATOM 0 HG21 THR A 37 -4.310 4.416 -7.735 1.00 33.05 H new ATOM 0 HG22 THR A 37 -4.278 5.574 -6.384 1.00 33.05 H new ATOM 0 HG23 THR A 37 -2.813 5.300 -7.356 1.00 33.05 H new ATOM 632 N THR A 38 -3.031 6.411 -3.860 1.00 54.21 N ATOM 633 CA THR A 38 -3.664 7.219 -2.856 1.00 73.02 C ATOM 634 C THR A 38 -5.116 7.630 -3.173 1.00 22.45 C ATOM 635 O THR A 38 -5.543 7.625 -4.331 1.00 31.32 O ATOM 636 CB THR A 38 -2.772 8.414 -2.419 1.00 63.23 C ATOM 637 OG1 THR A 38 -2.334 9.187 -3.565 1.00 21.40 O ATOM 638 CG2 THR A 38 -1.557 7.901 -1.649 1.00 23.15 C ATOM 0 H THR A 38 -2.418 6.913 -4.502 1.00 54.21 H new ATOM 0 HA THR A 38 -3.766 6.563 -1.991 1.00 73.02 H new ATOM 0 HB THR A 38 -3.366 9.063 -1.775 1.00 63.23 H new ATOM 0 HG1 THR A 38 -1.584 8.730 -4.000 1.00 21.40 H new ATOM 0 HG21 THR A 38 -0.936 8.744 -1.346 1.00 23.15 H new ATOM 0 HG22 THR A 38 -1.890 7.358 -0.764 1.00 23.15 H new ATOM 0 HG23 THR A 38 -0.977 7.234 -2.287 1.00 23.15 H new ATOM 646 N LYS A 39 -5.835 7.999 -2.100 1.00 52.32 N ATOM 647 CA LYS A 39 -7.273 8.276 -2.085 1.00 73.23 C ATOM 648 C LYS A 39 -7.625 9.385 -3.067 1.00 22.04 C ATOM 649 O LYS A 39 -8.490 9.204 -3.901 1.00 52.31 O ATOM 650 CB LYS A 39 -7.635 8.674 -0.623 1.00 51.42 C ATOM 651 CG LYS A 39 -9.112 8.586 -0.199 1.00 43.32 C ATOM 652 CD LYS A 39 -10.032 9.554 -0.915 1.00 33.44 C ATOM 653 CE LYS A 39 -11.448 9.427 -0.378 1.00 11.41 C ATOM 654 NZ LYS A 39 -12.373 10.344 -1.045 1.00 3.21 N ATOM 0 H LYS A 39 -5.407 8.116 -1.182 1.00 52.32 H new ATOM 0 HA LYS A 39 -7.844 7.401 -2.397 1.00 73.23 H new ATOM 0 HB2 LYS A 39 -7.055 8.041 0.049 1.00 51.42 H new ATOM 0 HB3 LYS A 39 -7.301 9.699 -0.463 1.00 51.42 H new ATOM 0 HG2 LYS A 39 -9.467 7.570 -0.374 1.00 43.32 H new ATOM 0 HG3 LYS A 39 -9.180 8.767 0.874 1.00 43.32 H new ATOM 0 HD2 LYS A 39 -9.674 10.575 -0.780 1.00 33.44 H new ATOM 0 HD3 LYS A 39 -10.022 9.352 -1.986 1.00 33.44 H new ATOM 0 HE2 LYS A 39 -11.795 8.402 -0.511 1.00 11.41 H new ATOM 0 HE3 LYS A 39 -11.449 9.628 0.693 1.00 11.41 H new ATOM 0 HZ1 LYS A 39 -13.327 10.224 -0.648 1.00 3.21 H new ATOM 0 HZ2 LYS A 39 -12.057 11.324 -0.897 1.00 3.21 H new ATOM 0 HZ3 LYS A 39 -12.393 10.137 -2.064 1.00 3.21 H new ATOM 668 N SER A 40 -6.882 10.483 -2.978 1.00 20.32 N ATOM 669 CA SER A 40 -6.969 11.699 -3.828 1.00 24.43 C ATOM 670 C SER A 40 -6.097 12.775 -3.201 1.00 41.14 C ATOM 671 O SER A 40 -4.986 13.035 -3.655 1.00 23.15 O ATOM 672 CB SER A 40 -8.421 12.273 -4.021 1.00 33.23 C ATOM 673 OG SER A 40 -9.259 11.421 -4.799 1.00 54.11 O ATOM 0 H SER A 40 -6.152 10.568 -2.270 1.00 20.32 H new ATOM 0 HA SER A 40 -6.633 11.405 -4.823 1.00 24.43 H new ATOM 0 HB2 SER A 40 -8.877 12.428 -3.043 1.00 33.23 H new ATOM 0 HB3 SER A 40 -8.359 13.249 -4.502 1.00 33.23 H new ATOM 0 HG SER A 40 -9.248 10.517 -4.420 1.00 54.11 H new ATOM 679 N VAL A 41 -6.579 13.345 -2.106 1.00 75.31 N ATOM 680 CA VAL A 41 -5.872 14.410 -1.427 1.00 62.14 C ATOM 681 C VAL A 41 -4.764 13.903 -0.495 1.00 61.54 C ATOM 682 O VAL A 41 -4.961 13.656 0.680 1.00 14.44 O ATOM 683 CB VAL A 41 -6.817 15.432 -0.719 1.00 2.02 C ATOM 684 CG1 VAL A 41 -7.625 16.197 -1.757 1.00 31.10 C ATOM 685 CG2 VAL A 41 -7.766 14.730 0.258 1.00 23.03 C ATOM 0 H VAL A 41 -7.463 13.082 -1.670 1.00 75.31 H new ATOM 0 HA VAL A 41 -5.373 14.964 -2.222 1.00 62.14 H new ATOM 0 HB VAL A 41 -6.196 16.126 -0.152 1.00 2.02 H new ATOM 0 HG11 VAL A 41 -8.282 16.908 -1.255 1.00 31.10 H new ATOM 0 HG12 VAL A 41 -6.948 16.735 -2.421 1.00 31.10 H new ATOM 0 HG13 VAL A 41 -8.225 15.497 -2.339 1.00 31.10 H new ATOM 0 HG21 VAL A 41 -8.410 15.469 0.734 1.00 23.03 H new ATOM 0 HG22 VAL A 41 -8.379 14.010 -0.284 1.00 23.03 H new ATOM 0 HG23 VAL A 41 -7.185 14.211 1.020 1.00 23.03 H new ATOM 695 N SER A 42 -3.638 13.667 -1.077 1.00 60.42 N ATOM 696 CA SER A 42 -2.446 13.289 -0.374 1.00 2.32 C ATOM 697 C SER A 42 -1.366 14.254 -0.814 1.00 42.54 C ATOM 698 O SER A 42 -1.632 15.100 -1.669 1.00 24.04 O ATOM 699 CB SER A 42 -2.071 11.844 -0.725 1.00 32.53 C ATOM 700 OG SER A 42 -1.884 11.683 -2.136 1.00 53.14 O ATOM 0 H SER A 42 -3.511 13.732 -2.087 1.00 60.42 H new ATOM 0 HA SER A 42 -2.582 13.333 0.707 1.00 2.32 H new ATOM 0 HB2 SER A 42 -1.157 11.566 -0.201 1.00 32.53 H new ATOM 0 HB3 SER A 42 -2.854 11.169 -0.380 1.00 32.53 H new ATOM 0 HG SER A 42 -1.969 10.735 -2.371 1.00 53.14 H new ATOM 706 N ARG A 43 -0.174 14.192 -0.254 1.00 72.34 N ATOM 707 CA ARG A 43 0.884 15.044 -0.782 1.00 52.00 C ATOM 708 C ARG A 43 1.376 14.556 -2.153 1.00 51.20 C ATOM 709 O ARG A 43 2.143 15.225 -2.819 1.00 44.40 O ATOM 710 CB ARG A 43 2.032 15.364 0.231 1.00 31.35 C ATOM 711 CG ARG A 43 2.776 14.187 0.890 1.00 54.53 C ATOM 712 CD ARG A 43 3.526 13.296 -0.096 1.00 12.32 C ATOM 713 NE ARG A 43 4.446 14.037 -0.979 1.00 51.21 N ATOM 714 CZ ARG A 43 5.702 13.662 -1.291 1.00 13.05 C ATOM 715 NH1 ARG A 43 6.292 12.652 -0.647 1.00 63.23 N ATOM 716 NH2 ARG A 43 6.369 14.317 -2.218 1.00 14.11 N ATOM 0 H ARG A 43 0.084 13.592 0.530 1.00 72.34 H new ATOM 0 HA ARG A 43 0.425 16.019 -0.946 1.00 52.00 H new ATOM 0 HB2 ARG A 43 2.771 15.976 -0.287 1.00 31.35 H new ATOM 0 HB3 ARG A 43 1.611 15.978 1.027 1.00 31.35 H new ATOM 0 HG2 ARG A 43 3.484 14.581 1.619 1.00 54.53 H new ATOM 0 HG3 ARG A 43 2.058 13.579 1.440 1.00 54.53 H new ATOM 0 HD2 ARG A 43 4.092 12.549 0.460 1.00 12.32 H new ATOM 0 HD3 ARG A 43 2.803 12.757 -0.708 1.00 12.32 H new ATOM 0 HE ARG A 43 4.103 14.906 -1.388 1.00 51.21 H new ATOM 0 HH11 ARG A 43 5.791 12.155 0.090 1.00 63.23 H new ATOM 0 HH12 ARG A 43 7.243 12.377 -0.892 1.00 63.23 H new ATOM 0 HH21 ARG A 43 5.935 15.106 -2.697 1.00 14.11 H new ATOM 0 HH22 ARG A 43 7.320 14.036 -2.457 1.00 14.11 H new ATOM 730 N TYR A 44 0.904 13.379 -2.548 1.00 24.23 N ATOM 731 CA TYR A 44 1.173 12.820 -3.860 1.00 0.23 C ATOM 732 C TYR A 44 0.092 13.233 -4.846 1.00 3.53 C ATOM 733 O TYR A 44 0.389 13.744 -5.914 1.00 21.33 O ATOM 734 CB TYR A 44 1.237 11.289 -3.799 1.00 34.33 C ATOM 735 CG TYR A 44 2.531 10.712 -3.288 1.00 12.13 C ATOM 736 CD1 TYR A 44 2.769 10.555 -1.941 1.00 34.33 C ATOM 737 CD2 TYR A 44 3.517 10.307 -4.179 1.00 31.34 C ATOM 738 CE1 TYR A 44 3.951 10.009 -1.491 1.00 40.33 C ATOM 739 CE2 TYR A 44 4.699 9.761 -3.735 1.00 50.31 C ATOM 740 CZ TYR A 44 4.909 9.615 -2.391 1.00 34.44 C ATOM 741 OH TYR A 44 6.074 9.062 -1.938 1.00 31.13 O ATOM 0 H TYR A 44 0.320 12.785 -1.960 1.00 24.23 H new ATOM 0 HA TYR A 44 2.137 13.205 -4.193 1.00 0.23 H new ATOM 0 HB2 TYR A 44 0.426 10.934 -3.163 1.00 34.33 H new ATOM 0 HB3 TYR A 44 1.054 10.895 -4.799 1.00 34.33 H new ATOM 0 HD1 TYR A 44 2.019 10.864 -1.228 1.00 34.33 H new ATOM 0 HD2 TYR A 44 3.352 10.423 -5.240 1.00 31.34 H new ATOM 0 HE1 TYR A 44 4.123 9.891 -0.431 1.00 40.33 H new ATOM 0 HE2 TYR A 44 5.455 9.450 -4.441 1.00 50.31 H new ATOM 0 HH TYR A 44 6.647 8.836 -2.700 1.00 31.13 H new ATOM 751 N ARG A 45 -1.162 13.022 -4.446 1.00 50.21 N ATOM 752 CA ARG A 45 -2.350 13.309 -5.264 1.00 3.24 C ATOM 753 C ARG A 45 -2.444 12.413 -6.490 1.00 21.14 C ATOM 754 O ARG A 45 -2.001 12.765 -7.570 1.00 62.52 O ATOM 755 CB ARG A 45 -2.480 14.793 -5.639 1.00 54.24 C ATOM 756 CG ARG A 45 -2.686 15.704 -4.450 1.00 0.03 C ATOM 757 CD ARG A 45 -2.745 17.153 -4.864 1.00 55.31 C ATOM 758 NE ARG A 45 -1.485 17.623 -5.455 1.00 24.30 N ATOM 759 CZ ARG A 45 -1.316 18.826 -6.008 1.00 33.31 C ATOM 760 NH1 ARG A 45 -2.323 19.697 -6.034 1.00 3.24 N ATOM 761 NH2 ARG A 45 -0.145 19.163 -6.522 1.00 23.42 N ATOM 0 H ARG A 45 -1.389 12.640 -3.528 1.00 50.21 H new ATOM 0 HA ARG A 45 -3.203 13.074 -4.627 1.00 3.24 H new ATOM 0 HB2 ARG A 45 -1.582 15.104 -6.173 1.00 54.24 H new ATOM 0 HB3 ARG A 45 -3.317 14.913 -6.327 1.00 54.24 H new ATOM 0 HG2 ARG A 45 -3.610 15.433 -3.939 1.00 0.03 H new ATOM 0 HG3 ARG A 45 -1.874 15.562 -3.737 1.00 0.03 H new ATOM 0 HD2 ARG A 45 -3.553 17.289 -5.583 1.00 55.31 H new ATOM 0 HD3 ARG A 45 -2.985 17.766 -3.995 1.00 55.31 H new ATOM 0 HE ARG A 45 -0.687 16.988 -5.442 1.00 24.30 H new ATOM 0 HH11 ARG A 45 -3.226 19.445 -5.631 1.00 3.24 H new ATOM 0 HH12 ARG A 45 -2.192 20.616 -6.457 1.00 3.24 H new ATOM 0 HH21 ARG A 45 0.632 18.503 -6.497 1.00 23.42 H new ATOM 0 HH22 ARG A 45 -0.019 20.083 -6.944 1.00 23.42 H new ATOM 775 N GLY A 46 -2.972 11.220 -6.281 1.00 25.43 N ATOM 776 CA GLY A 46 -3.173 10.260 -7.362 1.00 75.44 C ATOM 777 C GLY A 46 -1.923 9.471 -7.711 1.00 1.44 C ATOM 778 O GLY A 46 -1.951 8.593 -8.580 1.00 11.31 O ATOM 0 H GLY A 46 -3.273 10.887 -5.365 1.00 25.43 H new ATOM 0 HA2 GLY A 46 -3.964 9.566 -7.078 1.00 75.44 H new ATOM 0 HA3 GLY A 46 -3.518 10.791 -8.249 1.00 75.44 H new ATOM 782 N GLN A 47 -0.845 9.762 -7.023 1.00 31.35 N ATOM 783 CA GLN A 47 0.402 9.050 -7.201 1.00 74.14 C ATOM 784 C GLN A 47 0.560 7.984 -6.137 1.00 22.30 C ATOM 785 O GLN A 47 -0.059 8.069 -5.043 1.00 3.43 O ATOM 786 CB GLN A 47 1.636 9.984 -7.274 1.00 43.14 C ATOM 787 CG GLN A 47 1.853 10.712 -8.611 1.00 45.12 C ATOM 788 CD GLN A 47 0.692 11.567 -9.056 1.00 24.23 C ATOM 789 OE1 GLN A 47 -0.191 11.108 -9.765 1.00 5.32 O ATOM 790 NE2 GLN A 47 0.686 12.805 -8.661 1.00 12.22 N ATOM 0 H GLN A 47 -0.806 10.501 -6.321 1.00 31.35 H new ATOM 0 HA GLN A 47 0.353 8.561 -8.174 1.00 74.14 H new ATOM 0 HB2 GLN A 47 1.548 10.732 -6.486 1.00 43.14 H new ATOM 0 HB3 GLN A 47 2.526 9.394 -7.055 1.00 43.14 H new ATOM 0 HG2 GLN A 47 2.739 11.341 -8.528 1.00 45.12 H new ATOM 0 HG3 GLN A 47 2.059 9.971 -9.384 1.00 45.12 H new ATOM 0 HE21 GLN A 47 1.439 13.155 -8.069 1.00 12.22 H new ATOM 0 HE22 GLN A 47 -0.072 13.426 -8.943 1.00 12.22 H new ATOM 799 N GLU A 48 1.349 6.992 -6.449 1.00 1.15 N ATOM 800 CA GLU A 48 1.517 5.849 -5.612 1.00 13.33 C ATOM 801 C GLU A 48 2.732 5.854 -4.687 1.00 5.52 C ATOM 802 O GLU A 48 3.722 6.539 -4.919 1.00 72.01 O ATOM 803 CB GLU A 48 1.372 4.554 -6.414 1.00 31.43 C ATOM 804 CG GLU A 48 2.028 4.519 -7.781 1.00 22.45 C ATOM 805 CD GLU A 48 3.560 4.531 -7.803 1.00 54.44 C ATOM 806 OE1 GLU A 48 4.157 5.629 -7.807 1.00 2.13 O ATOM 807 OE2 GLU A 48 4.180 3.434 -7.873 1.00 23.11 O ATOM 0 H GLU A 48 1.899 6.961 -7.307 1.00 1.15 H new ATOM 0 HA GLU A 48 0.694 5.908 -4.899 1.00 13.33 H new ATOM 0 HB2 GLU A 48 1.783 3.738 -5.819 1.00 31.43 H new ATOM 0 HB3 GLU A 48 0.309 4.351 -6.542 1.00 31.43 H new ATOM 0 HG2 GLU A 48 1.686 3.624 -8.301 1.00 22.45 H new ATOM 0 HG3 GLU A 48 1.672 5.376 -8.353 1.00 22.45 H new ATOM 814 N HIS A 49 2.603 5.124 -3.599 1.00 51.40 N ATOM 815 CA HIS A 49 3.696 4.876 -2.671 1.00 72.23 C ATOM 816 C HIS A 49 4.160 3.468 -2.931 1.00 54.00 C ATOM 817 O HIS A 49 3.379 2.645 -3.430 1.00 63.14 O ATOM 818 CB HIS A 49 3.258 4.934 -1.191 1.00 10.54 C ATOM 819 CG HIS A 49 2.811 6.260 -0.618 1.00 74.33 C ATOM 820 ND1 HIS A 49 3.406 6.837 0.506 1.00 11.41 N ATOM 821 CD2 HIS A 49 1.769 7.058 -0.926 1.00 35.22 C ATOM 822 CE1 HIS A 49 2.736 7.918 0.848 1.00 4.51 C ATOM 823 NE2 HIS A 49 1.742 8.076 0.000 1.00 21.31 N ATOM 0 H HIS A 49 1.726 4.679 -3.327 1.00 51.40 H new ATOM 0 HA HIS A 49 4.458 5.639 -2.826 1.00 72.23 H new ATOM 0 HB2 HIS A 49 2.441 4.225 -1.060 1.00 10.54 H new ATOM 0 HB3 HIS A 49 4.091 4.576 -0.585 1.00 10.54 H new ATOM 0 HD2 HIS A 49 1.082 6.923 -1.748 1.00 35.22 H new ATOM 0 HE1 HIS A 49 2.964 8.565 1.682 1.00 4.51 H new ATOM 0 HE2 HIS A 49 1.059 8.833 0.025 1.00 21.31 H new ATOM 832 N CYS A 50 5.370 3.173 -2.598 1.00 53.44 N ATOM 833 CA CYS A 50 5.879 1.852 -2.803 1.00 21.53 C ATOM 834 C CYS A 50 6.314 1.224 -1.485 1.00 43.14 C ATOM 835 O CYS A 50 7.095 1.807 -0.731 1.00 40.51 O ATOM 836 CB CYS A 50 7.009 1.898 -3.840 1.00 41.35 C ATOM 837 SG CYS A 50 8.246 3.222 -3.532 1.00 32.52 S ATOM 0 H CYS A 50 6.031 3.828 -2.181 1.00 53.44 H new ATOM 0 HA CYS A 50 5.090 1.211 -3.197 1.00 21.53 H new ATOM 0 HB2 CYS A 50 7.518 0.934 -3.852 1.00 41.35 H new ATOM 0 HB3 CYS A 50 6.576 2.042 -4.830 1.00 41.35 H new ATOM 0 HG CYS A 50 9.162 3.183 -4.454 1.00 32.52 H new ATOM 842 N LEU A 51 5.780 0.053 -1.209 1.00 3.14 N ATOM 843 CA LEU A 51 6.100 -0.696 -0.015 1.00 75.21 C ATOM 844 C LEU A 51 6.702 -2.014 -0.356 1.00 42.43 C ATOM 845 O LEU A 51 6.309 -2.674 -1.324 1.00 22.44 O ATOM 846 CB LEU A 51 4.884 -0.880 0.894 1.00 41.40 C ATOM 847 CG LEU A 51 4.455 0.339 1.682 1.00 23.21 C ATOM 848 CD1 LEU A 51 3.103 0.099 2.329 1.00 61.05 C ATOM 849 CD2 LEU A 51 5.476 0.645 2.768 1.00 51.13 C ATOM 0 H LEU A 51 5.103 -0.410 -1.816 1.00 3.14 H new ATOM 0 HA LEU A 51 6.835 -0.111 0.538 1.00 75.21 H new ATOM 0 HB2 LEU A 51 4.043 -1.207 0.282 1.00 41.40 H new ATOM 0 HB3 LEU A 51 5.099 -1.685 1.596 1.00 41.40 H new ATOM 0 HG LEU A 51 4.384 1.183 0.996 1.00 23.21 H new ATOM 0 HD11 LEU A 51 2.807 0.984 2.892 1.00 61.05 H new ATOM 0 HD12 LEU A 51 2.361 -0.104 1.557 1.00 61.05 H new ATOM 0 HD13 LEU A 51 3.169 -0.755 3.003 1.00 61.05 H new ATOM 0 HD21 LEU A 51 5.158 1.524 3.329 1.00 51.13 H new ATOM 0 HD22 LEU A 51 5.556 -0.207 3.443 1.00 51.13 H new ATOM 0 HD23 LEU A 51 6.447 0.838 2.311 1.00 51.13 H new ATOM 861 N HIS A 52 7.648 -2.391 0.428 1.00 65.34 N ATOM 862 CA HIS A 52 8.369 -3.621 0.217 1.00 22.53 C ATOM 863 C HIS A 52 7.794 -4.697 1.142 1.00 40.34 C ATOM 864 O HIS A 52 7.983 -4.642 2.352 1.00 41.23 O ATOM 865 CB HIS A 52 9.869 -3.392 0.458 1.00 72.53 C ATOM 866 CG HIS A 52 10.755 -4.550 0.111 1.00 70.34 C ATOM 867 ND1 HIS A 52 11.479 -5.244 1.044 1.00 24.13 N ATOM 868 CD2 HIS A 52 11.046 -5.120 -1.087 1.00 52.23 C ATOM 869 CE1 HIS A 52 12.168 -6.189 0.439 1.00 24.12 C ATOM 870 NE2 HIS A 52 11.920 -6.130 -0.846 1.00 55.33 N ATOM 0 H HIS A 52 7.955 -1.860 1.243 1.00 65.34 H new ATOM 0 HA HIS A 52 8.255 -3.961 -0.812 1.00 22.53 H new ATOM 0 HB2 HIS A 52 10.186 -2.526 -0.123 1.00 72.53 H new ATOM 0 HB3 HIS A 52 10.018 -3.143 1.509 1.00 72.53 H new ATOM 0 HD2 HIS A 52 10.656 -4.825 -2.050 1.00 52.23 H new ATOM 0 HE1 HIS A 52 12.828 -6.895 0.922 1.00 24.12 H new ATOM 0 HE2 HIS A 52 12.320 -6.746 -1.554 1.00 55.33 H new ATOM 879 N PRO A 53 7.108 -5.708 0.558 1.00 24.42 N ATOM 880 CA PRO A 53 6.327 -6.744 1.309 1.00 20.00 C ATOM 881 C PRO A 53 7.140 -7.690 2.208 1.00 45.24 C ATOM 882 O PRO A 53 6.630 -8.686 2.674 1.00 12.40 O ATOM 883 CB PRO A 53 5.655 -7.550 0.203 1.00 35.21 C ATOM 884 CG PRO A 53 6.489 -7.325 -1.007 1.00 40.03 C ATOM 885 CD PRO A 53 7.013 -5.930 -0.900 1.00 63.14 C ATOM 0 HA PRO A 53 5.659 -6.247 2.013 1.00 20.00 H new ATOM 0 HB2 PRO A 53 5.611 -8.609 0.459 1.00 35.21 H new ATOM 0 HB3 PRO A 53 4.630 -7.218 0.041 1.00 35.21 H new ATOM 0 HG2 PRO A 53 7.306 -8.045 -1.056 1.00 40.03 H new ATOM 0 HG3 PRO A 53 5.899 -7.450 -1.915 1.00 40.03 H new ATOM 0 HD2 PRO A 53 7.983 -5.827 -1.386 1.00 63.14 H new ATOM 0 HD3 PRO A 53 6.343 -5.212 -1.372 1.00 63.14 H new ATOM 893 N LYS A 54 8.373 -7.384 2.437 1.00 25.20 N ATOM 894 CA LYS A 54 9.194 -8.180 3.319 1.00 21.31 C ATOM 895 C LYS A 54 9.033 -7.770 4.781 1.00 73.43 C ATOM 896 O LYS A 54 9.472 -8.483 5.694 1.00 42.01 O ATOM 897 CB LYS A 54 10.650 -8.171 2.880 1.00 53.03 C ATOM 898 CG LYS A 54 10.941 -9.184 1.773 1.00 23.03 C ATOM 899 CD LYS A 54 10.043 -9.007 0.557 1.00 62.02 C ATOM 900 CE LYS A 54 10.248 -10.125 -0.422 1.00 63.23 C ATOM 901 NZ LYS A 54 9.333 -10.049 -1.561 1.00 52.42 N ATOM 0 H LYS A 54 8.849 -6.581 2.025 1.00 25.20 H new ATOM 0 HA LYS A 54 8.841 -9.209 3.247 1.00 21.31 H new ATOM 0 HB2 LYS A 54 10.913 -7.173 2.531 1.00 53.03 H new ATOM 0 HB3 LYS A 54 11.285 -8.386 3.739 1.00 53.03 H new ATOM 0 HG2 LYS A 54 11.983 -9.090 1.466 1.00 23.03 H new ATOM 0 HG3 LYS A 54 10.815 -10.192 2.168 1.00 23.03 H new ATOM 0 HD2 LYS A 54 8.999 -8.979 0.871 1.00 62.02 H new ATOM 0 HD3 LYS A 54 10.257 -8.052 0.076 1.00 62.02 H new ATOM 0 HE2 LYS A 54 11.276 -10.102 -0.784 1.00 63.23 H new ATOM 0 HE3 LYS A 54 10.110 -11.079 0.087 1.00 63.23 H new ATOM 0 HZ1 LYS A 54 9.457 -10.888 -2.163 1.00 52.42 H new ATOM 0 HZ2 LYS A 54 8.352 -10.012 -1.217 1.00 52.42 H new ATOM 0 HZ3 LYS A 54 9.538 -9.193 -2.114 1.00 52.42 H new ATOM 915 N LEU A 55 8.420 -6.613 4.996 1.00 43.43 N ATOM 916 CA LEU A 55 8.180 -6.100 6.337 1.00 12.32 C ATOM 917 C LEU A 55 6.853 -6.640 6.866 1.00 72.13 C ATOM 918 O LEU A 55 5.851 -6.649 6.150 1.00 51.32 O ATOM 919 CB LEU A 55 8.151 -4.566 6.326 1.00 23.23 C ATOM 920 CG LEU A 55 9.422 -3.859 5.827 1.00 20.41 C ATOM 921 CD1 LEU A 55 9.219 -2.353 5.822 1.00 60.02 C ATOM 922 CD2 LEU A 55 10.622 -4.229 6.691 1.00 75.25 C ATOM 0 H LEU A 55 8.077 -6.008 4.250 1.00 43.43 H new ATOM 0 HA LEU A 55 8.989 -6.429 6.989 1.00 12.32 H new ATOM 0 HB2 LEU A 55 7.316 -4.245 5.704 1.00 23.23 H new ATOM 0 HB3 LEU A 55 7.945 -4.221 7.339 1.00 23.23 H new ATOM 0 HG LEU A 55 9.620 -4.190 4.808 1.00 20.41 H new ATOM 0 HD11 LEU A 55 10.126 -1.865 5.467 1.00 60.02 H new ATOM 0 HD12 LEU A 55 8.389 -2.100 5.163 1.00 60.02 H new ATOM 0 HD13 LEU A 55 8.996 -2.013 6.833 1.00 60.02 H new ATOM 0 HD21 LEU A 55 11.510 -3.717 6.319 1.00 75.25 H new ATOM 0 HD22 LEU A 55 10.435 -3.928 7.722 1.00 75.25 H new ATOM 0 HD23 LEU A 55 10.781 -5.307 6.651 1.00 75.25 H new ATOM 934 N GLN A 56 6.847 -7.071 8.114 1.00 60.52 N ATOM 935 CA GLN A 56 5.661 -7.651 8.751 1.00 32.04 C ATOM 936 C GLN A 56 4.554 -6.623 8.952 1.00 74.54 C ATOM 937 O GLN A 56 3.365 -6.968 8.951 1.00 31.11 O ATOM 938 CB GLN A 56 6.000 -8.367 10.076 1.00 30.42 C ATOM 939 CG GLN A 56 6.828 -9.659 9.933 1.00 3.13 C ATOM 940 CD GLN A 56 8.233 -9.462 9.371 1.00 12.21 C ATOM 941 OE1 GLN A 56 8.869 -8.423 9.566 1.00 14.42 O ATOM 942 NE2 GLN A 56 8.721 -10.452 8.668 1.00 25.24 N ATOM 0 H GLN A 56 7.664 -7.032 8.724 1.00 60.52 H new ATOM 0 HA GLN A 56 5.285 -8.405 8.060 1.00 32.04 H new ATOM 0 HB2 GLN A 56 6.547 -7.674 10.715 1.00 30.42 H new ATOM 0 HB3 GLN A 56 5.069 -8.607 10.589 1.00 30.42 H new ATOM 0 HG2 GLN A 56 6.907 -10.133 10.911 1.00 3.13 H new ATOM 0 HG3 GLN A 56 6.287 -10.350 9.287 1.00 3.13 H new ATOM 0 HE21 GLN A 56 8.168 -11.298 8.526 1.00 25.24 H new ATOM 0 HE22 GLN A 56 9.654 -10.378 8.262 1.00 25.24 H new ATOM 951 N SER A 57 4.941 -5.372 9.103 1.00 42.32 N ATOM 952 CA SER A 57 3.994 -4.290 9.263 1.00 41.43 C ATOM 953 C SER A 57 3.154 -4.106 8.002 1.00 54.25 C ATOM 954 O SER A 57 1.973 -3.743 8.065 1.00 12.11 O ATOM 955 CB SER A 57 4.739 -3.010 9.638 1.00 12.40 C ATOM 956 OG SER A 57 5.851 -2.796 8.769 1.00 64.30 O ATOM 0 H SER A 57 5.918 -5.079 9.118 1.00 42.32 H new ATOM 0 HA SER A 57 3.303 -4.536 10.070 1.00 41.43 H new ATOM 0 HB2 SER A 57 4.060 -2.159 9.583 1.00 12.40 H new ATOM 0 HB3 SER A 57 5.085 -3.075 10.670 1.00 12.40 H new ATOM 0 HG SER A 57 6.313 -1.971 9.026 1.00 64.30 H new ATOM 962 N THR A 58 3.758 -4.411 6.867 1.00 40.12 N ATOM 963 CA THR A 58 3.105 -4.308 5.599 1.00 13.14 C ATOM 964 C THR A 58 1.946 -5.320 5.522 1.00 3.33 C ATOM 965 O THR A 58 0.907 -5.028 4.961 1.00 24.41 O ATOM 966 CB THR A 58 4.123 -4.554 4.476 1.00 53.34 C ATOM 967 OG1 THR A 58 5.251 -3.691 4.691 1.00 63.12 O ATOM 968 CG2 THR A 58 3.519 -4.247 3.114 1.00 13.11 C ATOM 0 H THR A 58 4.722 -4.738 6.812 1.00 40.12 H new ATOM 0 HA THR A 58 2.691 -3.307 5.480 1.00 13.14 H new ATOM 0 HB THR A 58 4.422 -5.602 4.492 1.00 53.34 H new ATOM 0 HG1 THR A 58 5.913 -3.836 3.983 1.00 63.12 H new ATOM 0 HG21 THR A 58 4.261 -4.430 2.337 1.00 13.11 H new ATOM 0 HG22 THR A 58 2.654 -4.888 2.947 1.00 13.11 H new ATOM 0 HG23 THR A 58 3.209 -3.203 3.081 1.00 13.11 H new ATOM 976 N LYS A 59 2.124 -6.495 6.139 1.00 12.22 N ATOM 977 CA LYS A 59 1.064 -7.497 6.155 1.00 22.42 C ATOM 978 C LYS A 59 -0.157 -7.003 6.861 1.00 3.14 C ATOM 979 O LYS A 59 -1.255 -7.151 6.338 1.00 63.41 O ATOM 980 CB LYS A 59 1.507 -8.869 6.677 1.00 30.00 C ATOM 981 CG LYS A 59 2.443 -9.625 5.745 1.00 73.12 C ATOM 982 CD LYS A 59 3.817 -8.997 5.660 1.00 32.13 C ATOM 983 CE LYS A 59 4.712 -9.716 4.672 1.00 15.11 C ATOM 984 NZ LYS A 59 4.926 -11.128 5.018 1.00 51.43 N ATOM 0 H LYS A 59 2.979 -6.768 6.625 1.00 12.22 H new ATOM 0 HA LYS A 59 0.805 -7.657 5.108 1.00 22.42 H new ATOM 0 HB2 LYS A 59 2.002 -8.736 7.639 1.00 30.00 H new ATOM 0 HB3 LYS A 59 0.622 -9.479 6.856 1.00 30.00 H new ATOM 0 HG2 LYS A 59 2.539 -10.654 6.091 1.00 73.12 H new ATOM 0 HG3 LYS A 59 2.003 -9.663 4.748 1.00 73.12 H new ATOM 0 HD2 LYS A 59 3.720 -7.952 5.366 1.00 32.13 H new ATOM 0 HD3 LYS A 59 4.282 -9.009 6.646 1.00 32.13 H new ATOM 0 HE2 LYS A 59 4.271 -9.654 3.677 1.00 15.11 H new ATOM 0 HE3 LYS A 59 5.675 -9.208 4.626 1.00 15.11 H new ATOM 0 HZ1 LYS A 59 5.661 -11.529 4.401 1.00 51.43 H new ATOM 0 HZ2 LYS A 59 5.229 -11.200 6.010 1.00 51.43 H new ATOM 0 HZ3 LYS A 59 4.039 -11.656 4.888 1.00 51.43 H new ATOM 998 N ARG A 60 0.012 -6.377 8.030 1.00 5.35 N ATOM 999 CA ARG A 60 -1.122 -5.786 8.692 1.00 51.01 C ATOM 1000 C ARG A 60 -1.722 -4.724 7.851 1.00 11.01 C ATOM 1001 O ARG A 60 -2.904 -4.692 7.681 1.00 21.03 O ATOM 1002 CB ARG A 60 -0.820 -5.219 10.072 1.00 61.44 C ATOM 1003 CG ARG A 60 -0.917 -6.199 11.210 1.00 62.51 C ATOM 1004 CD ARG A 60 0.195 -7.229 11.206 1.00 1.14 C ATOM 1005 NE ARG A 60 0.033 -8.180 12.305 1.00 10.21 N ATOM 1006 CZ ARG A 60 0.900 -9.136 12.640 1.00 61.21 C ATOM 1007 NH1 ARG A 60 2.087 -9.214 12.037 1.00 31.02 N ATOM 1008 NH2 ARG A 60 0.592 -9.993 13.604 1.00 34.32 N ATOM 0 H ARG A 60 0.903 -6.275 8.515 1.00 5.35 H new ATOM 0 HA ARG A 60 -1.824 -6.607 8.838 1.00 51.01 H new ATOM 0 HB2 ARG A 60 0.186 -4.800 10.061 1.00 61.44 H new ATOM 0 HB3 ARG A 60 -1.507 -4.395 10.265 1.00 61.44 H new ATOM 0 HG2 ARG A 60 -0.895 -5.654 12.154 1.00 62.51 H new ATOM 0 HG3 ARG A 60 -1.878 -6.711 11.160 1.00 62.51 H new ATOM 0 HD2 ARG A 60 0.197 -7.763 10.256 1.00 1.14 H new ATOM 0 HD3 ARG A 60 1.159 -6.728 11.293 1.00 1.14 H new ATOM 0 HE ARG A 60 -0.817 -8.106 12.864 1.00 10.21 H new ATOM 0 HH11 ARG A 60 2.337 -8.539 11.314 1.00 31.02 H new ATOM 0 HH12 ARG A 60 2.745 -9.948 12.299 1.00 31.02 H new ATOM 0 HH21 ARG A 60 -0.304 -9.919 14.085 1.00 34.32 H new ATOM 0 HH22 ARG A 60 1.251 -10.726 13.864 1.00 34.32 H new ATOM 1022 N PHE A 61 -0.880 -3.888 7.286 1.00 63.21 N ATOM 1023 CA PHE A 61 -1.331 -2.782 6.475 1.00 74.01 C ATOM 1024 C PHE A 61 -2.219 -3.263 5.324 1.00 22.31 C ATOM 1025 O PHE A 61 -3.232 -2.644 5.017 1.00 0.11 O ATOM 1026 CB PHE A 61 -0.139 -2.017 5.933 1.00 61.42 C ATOM 1027 CG PHE A 61 -0.493 -0.724 5.249 1.00 0.22 C ATOM 1028 CD1 PHE A 61 -0.869 0.378 6.001 1.00 74.14 C ATOM 1029 CD2 PHE A 61 -0.434 -0.598 3.873 1.00 42.12 C ATOM 1030 CE1 PHE A 61 -1.180 1.573 5.399 1.00 51.34 C ATOM 1031 CE2 PHE A 61 -0.749 0.602 3.265 1.00 51.31 C ATOM 1032 CZ PHE A 61 -1.121 1.689 4.034 1.00 12.32 C ATOM 0 H PHE A 61 0.134 -3.956 7.376 1.00 63.21 H new ATOM 0 HA PHE A 61 -1.927 -2.120 7.104 1.00 74.01 H new ATOM 0 HB2 PHE A 61 0.546 -1.805 6.754 1.00 61.42 H new ATOM 0 HB3 PHE A 61 0.396 -2.653 5.228 1.00 61.42 H new ATOM 0 HD1 PHE A 61 -0.918 0.296 7.077 1.00 74.14 H new ATOM 0 HD2 PHE A 61 -0.140 -1.444 3.269 1.00 42.12 H new ATOM 0 HE1 PHE A 61 -1.471 2.421 6.001 1.00 51.34 H new ATOM 0 HE2 PHE A 61 -0.705 0.691 2.190 1.00 51.31 H new ATOM 0 HZ PHE A 61 -1.365 2.628 3.560 1.00 12.32 H new ATOM 1042 N ILE A 62 -1.852 -4.384 4.722 1.00 2.33 N ATOM 1043 CA ILE A 62 -2.608 -4.904 3.609 1.00 43.30 C ATOM 1044 C ILE A 62 -3.908 -5.491 4.084 1.00 44.52 C ATOM 1045 O ILE A 62 -4.986 -5.157 3.592 1.00 51.31 O ATOM 1046 CB ILE A 62 -1.818 -5.993 2.841 1.00 41.33 C ATOM 1047 CG1 ILE A 62 -0.485 -5.436 2.339 1.00 10.21 C ATOM 1048 CG2 ILE A 62 -2.644 -6.573 1.705 1.00 33.21 C ATOM 1049 CD1 ILE A 62 -0.614 -4.163 1.549 1.00 73.23 C ATOM 0 H ILE A 62 -1.041 -4.942 4.988 1.00 2.33 H new ATOM 0 HA ILE A 62 -2.801 -4.069 2.935 1.00 43.30 H new ATOM 0 HB ILE A 62 -1.602 -6.809 3.531 1.00 41.33 H new ATOM 0 HG12 ILE A 62 0.167 -5.257 3.194 1.00 10.21 H new ATOM 0 HG13 ILE A 62 0.001 -6.189 1.719 1.00 10.21 H new ATOM 0 HG21 ILE A 62 -2.063 -7.334 1.185 1.00 33.21 H new ATOM 0 HG22 ILE A 62 -3.552 -7.022 2.108 1.00 33.21 H new ATOM 0 HG23 ILE A 62 -2.910 -5.780 1.007 1.00 33.21 H new ATOM 0 HD11 ILE A 62 0.374 -3.832 1.229 1.00 73.23 H new ATOM 0 HD12 ILE A 62 -1.239 -4.340 0.674 1.00 73.23 H new ATOM 0 HD13 ILE A 62 -1.070 -3.393 2.171 1.00 73.23 H new ATOM 1061 N LYS A 63 -3.805 -6.336 5.055 1.00 62.11 N ATOM 1062 CA LYS A 63 -4.954 -7.085 5.550 1.00 64.53 C ATOM 1063 C LYS A 63 -5.939 -6.205 6.268 1.00 73.01 C ATOM 1064 O LYS A 63 -7.152 -6.449 6.239 1.00 4.14 O ATOM 1065 CB LYS A 63 -4.469 -8.204 6.401 1.00 23.53 C ATOM 1066 CG LYS A 63 -3.581 -9.064 5.586 1.00 24.34 C ATOM 1067 CD LYS A 63 -2.851 -10.075 6.369 1.00 70.55 C ATOM 1068 CE LYS A 63 -1.838 -10.689 5.465 1.00 54.21 C ATOM 1069 NZ LYS A 63 -2.456 -11.456 4.354 1.00 74.33 N ATOM 0 H LYS A 63 -2.931 -6.540 5.540 1.00 62.11 H new ATOM 0 HA LYS A 63 -5.501 -7.498 4.703 1.00 64.53 H new ATOM 0 HB2 LYS A 63 -3.931 -7.816 7.266 1.00 23.53 H new ATOM 0 HB3 LYS A 63 -5.311 -8.782 6.782 1.00 23.53 H new ATOM 0 HG2 LYS A 63 -4.177 -9.568 4.825 1.00 24.34 H new ATOM 0 HG3 LYS A 63 -2.862 -8.434 5.062 1.00 24.34 H new ATOM 0 HD2 LYS A 63 -2.368 -9.617 7.232 1.00 70.55 H new ATOM 0 HD3 LYS A 63 -3.535 -10.833 6.751 1.00 70.55 H new ATOM 0 HE2 LYS A 63 -1.203 -9.906 5.052 1.00 54.21 H new ATOM 0 HE3 LYS A 63 -1.193 -11.350 6.044 1.00 54.21 H new ATOM 0 HZ1 LYS A 63 -1.742 -12.076 3.921 1.00 74.33 H new ATOM 0 HZ2 LYS A 63 -3.238 -12.033 4.724 1.00 74.33 H new ATOM 0 HZ3 LYS A 63 -2.821 -10.796 3.638 1.00 74.33 H new ATOM 1083 N TRP A 64 -5.431 -5.175 6.875 1.00 25.11 N ATOM 1084 CA TRP A 64 -6.250 -4.237 7.577 1.00 42.25 C ATOM 1085 C TRP A 64 -6.919 -3.344 6.526 1.00 53.31 C ATOM 1086 O TRP A 64 -8.088 -2.965 6.672 1.00 1.22 O ATOM 1087 CB TRP A 64 -5.382 -3.397 8.522 1.00 24.05 C ATOM 1088 CG TRP A 64 -6.065 -2.890 9.758 1.00 0.05 C ATOM 1089 CD1 TRP A 64 -5.867 -3.361 11.026 1.00 1.31 C ATOM 1090 CD2 TRP A 64 -7.035 -1.831 9.868 1.00 21.11 C ATOM 1091 NE1 TRP A 64 -6.658 -2.669 11.907 1.00 13.15 N ATOM 1092 CE2 TRP A 64 -7.382 -1.731 11.224 1.00 42.23 C ATOM 1093 CE3 TRP A 64 -7.646 -0.964 8.957 1.00 32.34 C ATOM 1094 CZ2 TRP A 64 -8.306 -0.802 11.690 1.00 25.10 C ATOM 1095 CZ3 TRP A 64 -8.562 -0.045 9.425 1.00 43.30 C ATOM 1096 CH2 TRP A 64 -8.884 0.026 10.777 1.00 64.13 C ATOM 0 H TRP A 64 -4.434 -4.962 6.897 1.00 25.11 H new ATOM 0 HA TRP A 64 -7.004 -4.746 8.178 1.00 42.25 H new ATOM 0 HB2 TRP A 64 -4.523 -3.996 8.824 1.00 24.05 H new ATOM 0 HB3 TRP A 64 -4.996 -2.542 7.967 1.00 24.05 H new ATOM 0 HD1 TRP A 64 -5.189 -4.158 11.294 1.00 1.31 H new ATOM 0 HE1 TRP A 64 -6.700 -2.829 12.914 1.00 13.15 H new ATOM 0 HE3 TRP A 64 -7.405 -1.013 7.905 1.00 32.34 H new ATOM 0 HZ2 TRP A 64 -8.556 -0.740 12.739 1.00 25.10 H new ATOM 0 HZ3 TRP A 64 -9.038 0.631 8.730 1.00 43.30 H new ATOM 0 HH2 TRP A 64 -9.609 0.754 11.109 1.00 64.13 H new ATOM 1107 N TYR A 65 -6.180 -3.034 5.417 1.00 4.53 N ATOM 1108 CA TYR A 65 -6.756 -2.231 4.357 1.00 22.15 C ATOM 1109 C TYR A 65 -7.933 -2.944 3.730 1.00 12.02 C ATOM 1110 O TYR A 65 -8.906 -2.313 3.366 1.00 73.13 O ATOM 1111 CB TYR A 65 -5.749 -1.800 3.276 1.00 31.10 C ATOM 1112 CG TYR A 65 -6.399 -0.878 2.256 1.00 63.00 C ATOM 1113 CD1 TYR A 65 -6.787 0.398 2.623 1.00 23.00 C ATOM 1114 CD2 TYR A 65 -6.655 -1.287 0.948 1.00 4.11 C ATOM 1115 CE1 TYR A 65 -7.412 1.236 1.734 1.00 24.23 C ATOM 1116 CE2 TYR A 65 -7.278 -0.437 0.046 1.00 74.13 C ATOM 1117 CZ TYR A 65 -7.653 0.820 0.456 1.00 3.53 C ATOM 1118 OH TYR A 65 -8.287 1.666 -0.411 1.00 1.15 O ATOM 0 H TYR A 65 -5.216 -3.330 5.260 1.00 4.53 H new ATOM 0 HA TYR A 65 -7.094 -1.310 4.833 1.00 22.15 H new ATOM 0 HB2 TYR A 65 -4.905 -1.293 3.743 1.00 31.10 H new ATOM 0 HB3 TYR A 65 -5.352 -2.682 2.773 1.00 31.10 H new ATOM 0 HD1 TYR A 65 -6.594 0.741 3.629 1.00 23.00 H new ATOM 0 HD2 TYR A 65 -6.365 -2.278 0.633 1.00 4.11 H new ATOM 0 HE1 TYR A 65 -7.713 2.225 2.045 1.00 24.23 H new ATOM 0 HE2 TYR A 65 -7.466 -0.759 -0.967 1.00 74.13 H new ATOM 0 HH TYR A 65 -9.101 1.238 -0.749 1.00 1.15 H new ATOM 1128 N ASN A 66 -7.835 -4.260 3.614 1.00 34.54 N ATOM 1129 CA ASN A 66 -8.943 -5.071 3.087 1.00 43.02 C ATOM 1130 C ASN A 66 -10.240 -4.813 3.840 1.00 72.02 C ATOM 1131 O ASN A 66 -11.298 -4.655 3.222 1.00 11.13 O ATOM 1132 CB ASN A 66 -8.618 -6.574 3.070 1.00 70.43 C ATOM 1133 CG ASN A 66 -7.718 -7.000 1.914 1.00 35.42 C ATOM 1134 OD1 ASN A 66 -8.209 -7.347 0.840 1.00 31.33 O ATOM 1135 ND2 ASN A 66 -6.423 -6.982 2.107 1.00 50.33 N ATOM 0 H ASN A 66 -7.007 -4.795 3.874 1.00 34.54 H new ATOM 0 HA ASN A 66 -9.081 -4.756 2.053 1.00 43.02 H new ATOM 0 HB2 ASN A 66 -8.136 -6.842 4.010 1.00 70.43 H new ATOM 0 HB3 ASN A 66 -9.550 -7.137 3.018 1.00 70.43 H new ATOM 0 HD21 ASN A 66 -5.792 -7.260 1.356 1.00 50.33 H new ATOM 0 HD22 ASN A 66 -6.046 -6.689 3.008 1.00 50.33 H new ATOM 1142 N ALA A 67 -10.157 -4.738 5.156 1.00 1.02 N ATOM 1143 CA ALA A 67 -11.327 -4.464 5.983 1.00 3.53 C ATOM 1144 C ALA A 67 -11.791 -3.020 5.787 1.00 23.24 C ATOM 1145 O ALA A 67 -12.966 -2.755 5.549 1.00 71.03 O ATOM 1146 CB ALA A 67 -11.014 -4.722 7.444 1.00 34.45 C ATOM 0 H ALA A 67 -9.291 -4.863 5.680 1.00 1.02 H new ATOM 0 HA ALA A 67 -12.131 -5.133 5.677 1.00 3.53 H new ATOM 0 HB1 ALA A 67 -11.897 -4.513 8.048 1.00 34.45 H new ATOM 0 HB2 ALA A 67 -10.723 -5.764 7.575 1.00 34.45 H new ATOM 0 HB3 ALA A 67 -10.196 -4.075 7.761 1.00 34.45 H new ATOM 1152 N TRP A 68 -10.846 -2.109 5.869 1.00 10.51 N ATOM 1153 CA TRP A 68 -11.076 -0.666 5.699 1.00 73.32 C ATOM 1154 C TRP A 68 -11.715 -0.350 4.338 1.00 3.33 C ATOM 1155 O TRP A 68 -12.712 0.370 4.266 1.00 73.42 O ATOM 1156 CB TRP A 68 -9.725 0.056 5.885 1.00 50.15 C ATOM 1157 CG TRP A 68 -9.679 1.522 5.542 1.00 73.05 C ATOM 1158 CD1 TRP A 68 -9.282 2.049 4.359 1.00 4.01 C ATOM 1159 CD2 TRP A 68 -10.005 2.642 6.381 1.00 12.00 C ATOM 1160 NE1 TRP A 68 -9.340 3.412 4.397 1.00 24.35 N ATOM 1161 CE2 TRP A 68 -9.784 3.804 5.618 1.00 64.23 C ATOM 1162 CE3 TRP A 68 -10.463 2.782 7.690 1.00 21.44 C ATOM 1163 CZ2 TRP A 68 -10.001 5.075 6.110 1.00 41.32 C ATOM 1164 CZ3 TRP A 68 -10.682 4.055 8.179 1.00 34.42 C ATOM 1165 CH2 TRP A 68 -10.450 5.187 7.381 1.00 64.44 C ATOM 0 H TRP A 68 -9.871 -2.342 6.059 1.00 10.51 H new ATOM 0 HA TRP A 68 -11.785 -0.312 6.447 1.00 73.32 H new ATOM 0 HB2 TRP A 68 -9.421 -0.058 6.925 1.00 50.15 H new ATOM 0 HB3 TRP A 68 -8.980 -0.457 5.277 1.00 50.15 H new ATOM 0 HD1 TRP A 68 -8.964 1.471 3.504 1.00 4.01 H new ATOM 0 HE1 TRP A 68 -9.090 4.036 3.630 1.00 24.35 H new ATOM 0 HE3 TRP A 68 -10.643 1.915 8.308 1.00 21.44 H new ATOM 0 HZ2 TRP A 68 -9.819 5.949 5.502 1.00 41.32 H new ATOM 0 HZ3 TRP A 68 -11.037 4.182 9.191 1.00 34.42 H new ATOM 0 HH2 TRP A 68 -10.634 6.169 7.791 1.00 64.44 H new ATOM 1176 N ASN A 69 -11.161 -0.909 3.288 1.00 55.01 N ATOM 1177 CA ASN A 69 -11.648 -0.687 1.932 1.00 30.45 C ATOM 1178 C ASN A 69 -13.070 -1.230 1.792 1.00 75.32 C ATOM 1179 O ASN A 69 -13.910 -0.632 1.125 1.00 2.41 O ATOM 1180 CB ASN A 69 -10.695 -1.345 0.915 1.00 71.14 C ATOM 1181 CG ASN A 69 -11.053 -1.063 -0.536 1.00 2.45 C ATOM 1182 OD1 ASN A 69 -10.607 -0.064 -1.110 1.00 72.22 O ATOM 1183 ND2 ASN A 69 -11.807 -1.944 -1.152 1.00 21.14 N ATOM 0 H ASN A 69 -10.357 -1.534 3.342 1.00 55.01 H new ATOM 0 HA ASN A 69 -11.673 0.383 1.727 1.00 30.45 H new ATOM 0 HB2 ASN A 69 -9.680 -0.995 1.103 1.00 71.14 H new ATOM 0 HB3 ASN A 69 -10.695 -2.423 1.076 1.00 71.14 H new ATOM 0 HD21 ASN A 69 -12.042 -1.815 -2.136 1.00 21.14 H new ATOM 0 HD22 ASN A 69 -12.158 -2.757 -0.646 1.00 21.14 H new ATOM 1190 N GLU A 70 -13.340 -2.338 2.470 1.00 21.43 N ATOM 1191 CA GLU A 70 -14.663 -2.948 2.461 1.00 61.30 C ATOM 1192 C GLU A 70 -15.664 -2.025 3.144 1.00 52.24 C ATOM 1193 O GLU A 70 -16.783 -1.844 2.658 1.00 65.15 O ATOM 1194 CB GLU A 70 -14.636 -4.304 3.172 1.00 74.40 C ATOM 1195 CG GLU A 70 -15.966 -5.042 3.173 1.00 63.01 C ATOM 1196 CD GLU A 70 -15.927 -6.291 4.009 1.00 33.23 C ATOM 1197 OE1 GLU A 70 -15.461 -7.336 3.519 1.00 64.32 O ATOM 1198 OE2 GLU A 70 -16.344 -6.238 5.184 1.00 32.31 O ATOM 0 H GLU A 70 -12.654 -2.836 3.037 1.00 21.43 H new ATOM 0 HA GLU A 70 -14.966 -3.105 1.426 1.00 61.30 H new ATOM 0 HB2 GLU A 70 -13.885 -4.935 2.696 1.00 74.40 H new ATOM 0 HB3 GLU A 70 -14.318 -4.153 4.204 1.00 74.40 H new ATOM 0 HG2 GLU A 70 -16.746 -4.380 3.550 1.00 63.01 H new ATOM 0 HG3 GLU A 70 -16.235 -5.301 2.149 1.00 63.01 H new ATOM 1205 N LYS A 71 -15.243 -1.402 4.251 1.00 45.14 N ATOM 1206 CA LYS A 71 -16.132 -0.516 5.001 1.00 31.31 C ATOM 1207 C LYS A 71 -16.423 0.748 4.193 1.00 74.30 C ATOM 1208 O LYS A 71 -17.461 1.387 4.366 1.00 21.13 O ATOM 1209 CB LYS A 71 -15.533 -0.122 6.366 1.00 52.40 C ATOM 1210 CG LYS A 71 -15.122 -1.260 7.341 1.00 73.42 C ATOM 1211 CD LYS A 71 -16.226 -2.291 7.657 1.00 72.52 C ATOM 1212 CE LYS A 71 -16.346 -3.358 6.573 1.00 13.21 C ATOM 1213 NZ LYS A 71 -17.369 -4.380 6.878 1.00 30.43 N ATOM 0 H LYS A 71 -14.305 -1.495 4.641 1.00 45.14 H new ATOM 0 HA LYS A 71 -17.057 -1.063 5.181 1.00 31.31 H new ATOM 0 HB2 LYS A 71 -14.651 0.491 6.179 1.00 52.40 H new ATOM 0 HB3 LYS A 71 -16.258 0.510 6.878 1.00 52.40 H new ATOM 0 HG2 LYS A 71 -14.267 -1.787 6.918 1.00 73.42 H new ATOM 0 HG3 LYS A 71 -14.789 -0.811 8.277 1.00 73.42 H new ATOM 0 HD2 LYS A 71 -16.011 -2.769 8.613 1.00 72.52 H new ATOM 0 HD3 LYS A 71 -17.181 -1.777 7.765 1.00 72.52 H new ATOM 0 HE2 LYS A 71 -16.591 -2.879 5.625 1.00 13.21 H new ATOM 0 HE3 LYS A 71 -15.380 -3.846 6.443 1.00 13.21 H new ATOM 0 HZ1 LYS A 71 -17.279 -5.172 6.210 1.00 30.43 H new ATOM 0 HZ2 LYS A 71 -17.233 -4.729 7.848 1.00 30.43 H new ATOM 0 HZ3 LYS A 71 -18.316 -3.960 6.791 1.00 30.43 H new ATOM 1227 N ARG A 72 -15.501 1.093 3.314 1.00 72.15 N ATOM 1228 CA ARG A 72 -15.623 2.264 2.450 1.00 74.14 C ATOM 1229 C ARG A 72 -16.493 1.981 1.241 1.00 24.42 C ATOM 1230 O ARG A 72 -17.261 2.850 0.805 1.00 61.24 O ATOM 1231 CB ARG A 72 -14.256 2.753 2.050 1.00 31.40 C ATOM 1232 CG ARG A 72 -13.483 3.320 3.212 1.00 51.13 C ATOM 1233 CD ARG A 72 -12.057 3.587 2.850 1.00 13.11 C ATOM 1234 NE ARG A 72 -11.906 4.451 1.687 1.00 41.22 N ATOM 1235 CZ ARG A 72 -10.802 4.490 0.932 1.00 60.03 C ATOM 1236 NH1 ARG A 72 -9.771 3.698 1.220 1.00 52.30 N ATOM 1237 NH2 ARG A 72 -10.743 5.293 -0.117 1.00 1.22 N ATOM 0 H ARG A 72 -14.638 0.568 3.174 1.00 72.15 H new ATOM 0 HA ARG A 72 -16.120 3.055 3.012 1.00 74.14 H new ATOM 0 HB2 ARG A 72 -13.693 1.929 1.611 1.00 31.40 H new ATOM 0 HB3 ARG A 72 -14.358 3.516 1.279 1.00 31.40 H new ATOM 0 HG2 ARG A 72 -13.953 4.245 3.545 1.00 51.13 H new ATOM 0 HG3 ARG A 72 -13.522 2.623 4.049 1.00 51.13 H new ATOM 0 HD2 ARG A 72 -11.554 4.045 3.701 1.00 13.11 H new ATOM 0 HD3 ARG A 72 -11.556 2.639 2.656 1.00 13.11 H new ATOM 0 HE ARG A 72 -12.685 5.060 1.434 1.00 41.22 H new ATOM 0 HH11 ARG A 72 -9.823 3.062 2.016 1.00 52.30 H new ATOM 0 HH12 ARG A 72 -8.929 3.727 0.645 1.00 52.30 H new ATOM 0 HH21 ARG A 72 -11.540 5.884 -0.352 1.00 1.22 H new ATOM 0 HH22 ARG A 72 -9.900 5.321 -0.691 1.00 1.22 H new ATOM 1251 N ARG A 73 -16.373 0.771 0.691 1.00 54.14 N ATOM 1252 CA ARG A 73 -17.274 0.330 -0.382 1.00 72.52 C ATOM 1253 C ARG A 73 -18.671 0.254 0.170 1.00 43.45 C ATOM 1254 O ARG A 73 -19.662 0.501 -0.532 1.00 54.42 O ATOM 1255 CB ARG A 73 -16.906 -1.068 -0.883 1.00 14.34 C ATOM 1256 CG ARG A 73 -15.591 -1.191 -1.615 1.00 63.24 C ATOM 1257 CD ARG A 73 -15.370 -2.635 -2.047 1.00 22.31 C ATOM 1258 NE ARG A 73 -16.472 -3.137 -2.899 1.00 61.42 N ATOM 1259 CZ ARG A 73 -16.622 -4.407 -3.322 1.00 44.32 C ATOM 1260 NH1 ARG A 73 -15.747 -5.336 -2.974 1.00 71.13 N ATOM 1261 NH2 ARG A 73 -17.666 -4.734 -4.080 1.00 65.12 N ATOM 0 H ARG A 73 -15.670 0.084 0.965 1.00 54.14 H new ATOM 0 HA ARG A 73 -17.194 1.040 -1.205 1.00 72.52 H new ATOM 0 HB2 ARG A 73 -16.886 -1.744 -0.028 1.00 14.34 H new ATOM 0 HB3 ARG A 73 -17.700 -1.414 -1.545 1.00 14.34 H new ATOM 0 HG2 ARG A 73 -15.588 -0.537 -2.487 1.00 63.24 H new ATOM 0 HG3 ARG A 73 -14.774 -0.866 -0.970 1.00 63.24 H new ATOM 0 HD2 ARG A 73 -14.429 -2.710 -2.591 1.00 22.31 H new ATOM 0 HD3 ARG A 73 -15.279 -3.267 -1.164 1.00 22.31 H new ATOM 0 HE ARG A 73 -17.179 -2.462 -3.191 1.00 61.42 H new ATOM 0 HH11 ARG A 73 -14.953 -5.092 -2.382 1.00 71.13 H new ATOM 0 HH12 ARG A 73 -15.866 -6.296 -3.298 1.00 71.13 H new ATOM 0 HH21 ARG A 73 -18.350 -4.024 -4.339 1.00 65.12 H new ATOM 0 HH22 ARG A 73 -17.782 -5.695 -4.402 1.00 65.12 H new