USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 839 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 119 CYS SG : rot 33:sc= 0.611 USER MOD Set 1.2: A 122 CYS SG : rot 70:sc= 0.2 USER MOD Set 2.1: A 85 TYR OH : rot 174:sc= 0.139 USER MOD Set 2.2: A 87 CYS SG : rot -129:sc= 0.389 USER MOD Set 2.3: A 90 CYS SG : rot 147:sc= 0.368 USER MOD Set 2.4: A 101 HIS : no HD1:sc= -0.0114 X(o=0.2,f=0.17) USER MOD Set 2.5: A 108 CYS SG : rot -117:sc= -0.685 USER MOD Set 3.1: A 102 CYS SG : rot -139:sc= 0.331 USER MOD Set 3.2: A 104 ASN : amide:sc= -0.0141 X(o=0.32,f=0.2) USER MOD Set 3.3: A 105 CYS SG : rot 139:sc= 0.373 USER MOD Set 3.4: A 118 HIS : no HD1:sc= -0.461 X(o=0.32,f=0.32) USER MOD Set 3.5: A 125 CYS SG : rot 36:sc= 0.0919 USER MOD Set 4.1: A 62 CYS SG : rot -114:sc= -0.335 USER MOD Set 4.2: A 64 ASN : amide:sc= 1.07 K(o=-0.019,f=-2.2) USER MOD Set 4.3: A 65 CYS SG : rot -114:sc= 0.124 USER MOD Set 4.4: A 75 CYS SG : rot -141:sc= -3.2! USER MOD Set 4.5: A 78 CYS SG : rot 55:sc= 0.889! USER MOD Set 4.6: A 80 THR OG1 : rot 113:sc= 1.43 USER MOD Set 5.1: A 46 ASN :FLIP amide:sc= 0 X(o=0.027,f=0.44) USER MOD Set 5.2: A 47 ASN : amide:sc= 0.436 X(o=0.44,f=0.027) USER MOD Set 6.1: A 33 CYS SG : rot 58:sc= -2.68! USER MOD Set 6.2: A 34 CYS SG : rot -177:sc= 0.458 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -1.91 K(o=-4.1,f=-6.1!) USER MOD Set 6.4: A 50 HIS : no HD1:sc= 0.0239 K(o=-4.1,f=-6.3) USER MOD Set 7.1: A 20 CYS SG : rot -32:sc= 1.32 USER MOD Set 7.2: A 22 HIS : no HD1:sc= -0.643 K(o=-3.6,f=-4.7) USER MOD Set 7.3: A 40 CYS SG : rot 163:sc= -4.32! USER MOD Set 7.4: A 43 CYS SG : rot 79:sc= 0.0425 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -2.08! USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0.369 (180deg=0.368) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 1.21 (180deg=0.0971) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.121 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0.357 (180deg=0.277) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0184) USER MOD Single : A 61 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.311 K(o=-0.31,f=-2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.29) USER MOD Single : A 72 GLN : amide:sc= 0.0903 X(o=0.09,f=-0.059) USER MOD Single : A 73 GLN : amide:sc= 0.101 K(o=0.1,f=-0.43) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 0.449 (180deg=0.295) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 0.725 (180deg=0.209) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= 0.332 (180deg=0.18) USER MOD Single : A 99 GLN : amide:sc= -0.159 K(o=-0.16,f=-4.1!) USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= 0.197 (180deg=0.0826) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0208 K(o=-0.021,f=-2!) USER MOD Single : A 128 MET CE :methyl -155:sc= -0.112 (180deg=-0.778) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.710 9.028 -8.875 1.00 0.00 N ATOM 232 CA ARG A 18 -8.535 8.468 -8.184 1.00 0.00 C ATOM 233 C ARG A 18 -9.007 7.534 -7.049 1.00 0.00 C ATOM 234 O ARG A 18 -10.187 7.563 -6.669 1.00 0.00 O ATOM 235 CB ARG A 18 -7.581 9.586 -7.644 1.00 0.00 C ATOM 236 CG ARG A 18 -8.120 10.476 -6.490 1.00 0.00 C ATOM 237 CD ARG A 18 -9.221 11.464 -6.922 1.00 0.00 C ATOM 238 NE ARG A 18 -9.697 12.298 -5.798 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.922 12.835 -5.689 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.859 12.607 -6.600 1.00 0.00 N ATOM 241 NH2 ARG A 18 -11.205 13.600 -4.651 1.00 0.00 N ATOM 0 HA ARG A 18 -7.953 7.892 -8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.661 9.111 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.315 10.236 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.512 9.833 -5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.291 11.038 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.838 12.108 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.060 10.909 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.038 12.481 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.655 12.013 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.783 13.026 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.495 13.779 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.133 14.013 -4.560 1.00 0.00 H new ATOM 255 N GLY A 19 -8.089 6.705 -6.519 1.00 0.00 N ATOM 256 CA GLY A 19 -8.429 5.710 -5.496 1.00 0.00 C ATOM 257 C GLY A 19 -8.945 4.404 -6.086 1.00 0.00 C ATOM 258 O GLY A 19 -9.120 4.280 -7.307 1.00 0.00 O ATOM 0 H GLY A 19 -7.105 6.708 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.547 5.505 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.185 6.125 -4.830 1.00 0.00 H new ATOM 262 N CYS A 20 -9.179 3.425 -5.208 1.00 0.00 N ATOM 263 CA CYS A 20 -9.728 2.111 -5.573 1.00 0.00 C ATOM 264 C CYS A 20 -10.315 1.488 -4.304 1.00 0.00 C ATOM 265 O CYS A 20 -9.688 1.577 -3.252 1.00 0.00 O ATOM 266 CB CYS A 20 -8.635 1.202 -6.199 1.00 0.00 C ATOM 267 SG CYS A 20 -9.263 -0.328 -6.977 1.00 0.00 S ATOM 0 H CYS A 20 -8.991 3.521 -4.210 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.506 2.221 -6.329 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.090 1.776 -6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.920 0.931 -5.423 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.318 -0.738 -6.338 1.00 0.00 H new ATOM 272 N GLU A 21 -11.505 0.858 -4.401 1.00 0.00 N ATOM 273 CA GLU A 21 -12.276 0.379 -3.216 1.00 0.00 C ATOM 274 C GLU A 21 -11.475 -0.595 -2.319 1.00 0.00 C ATOM 275 O GLU A 21 -11.748 -0.701 -1.118 1.00 0.00 O ATOM 276 CB GLU A 21 -13.640 -0.270 -3.626 1.00 0.00 C ATOM 277 CG GLU A 21 -13.565 -1.634 -4.365 1.00 0.00 C ATOM 278 CD GLU A 21 -13.007 -1.540 -5.793 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.796 -1.329 -6.741 1.00 0.00 O ATOM 280 OE2 GLU A 21 -11.770 -1.621 -5.971 1.00 0.00 O ATOM 0 H GLU A 21 -11.962 0.664 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.477 1.274 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.239 -0.403 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.175 0.434 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.942 -2.316 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.563 -2.070 -4.404 1.00 0.00 H new ATOM 287 N HIS A 22 -10.490 -1.297 -2.912 1.00 0.00 N ATOM 288 CA HIS A 22 -9.626 -2.246 -2.192 1.00 0.00 C ATOM 289 C HIS A 22 -8.681 -1.507 -1.214 1.00 0.00 C ATOM 290 O HIS A 22 -8.556 -1.891 -0.045 1.00 0.00 O ATOM 291 CB HIS A 22 -8.811 -3.083 -3.210 1.00 0.00 C ATOM 292 CG HIS A 22 -9.650 -3.795 -4.247 1.00 0.00 C ATOM 293 ND1 HIS A 22 -9.407 -3.662 -5.597 1.00 0.00 N ATOM 294 CD2 HIS A 22 -10.690 -4.654 -4.081 1.00 0.00 C ATOM 295 CE1 HIS A 22 -10.289 -4.436 -6.205 1.00 0.00 C ATOM 296 NE2 HIS A 22 -11.086 -5.053 -5.329 1.00 0.00 N ATOM 0 H HIS A 22 -10.273 -1.220 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.255 -2.913 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.105 -2.427 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.223 -3.822 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.123 -4.964 -3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.357 -4.555 -7.276 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.845 -5.698 -5.548 1.00 0.00 H new ATOM 304 N TYR A 23 -8.005 -0.455 -1.723 1.00 0.00 N ATOM 305 CA TYR A 23 -7.116 0.430 -0.926 1.00 0.00 C ATOM 306 C TYR A 23 -7.301 1.856 -1.461 1.00 0.00 C ATOM 307 O TYR A 23 -6.978 2.115 -2.630 1.00 0.00 O ATOM 308 CB TYR A 23 -5.609 0.033 -1.052 1.00 0.00 C ATOM 309 CG TYR A 23 -5.271 -1.427 -0.721 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.389 -2.415 -1.695 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.834 -1.822 0.551 1.00 0.00 C ATOM 312 CE1 TYR A 23 -5.096 -3.730 -1.433 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.531 -3.148 0.821 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.666 -4.098 -0.177 1.00 0.00 C ATOM 315 OH TYR A 23 -4.360 -5.418 0.077 1.00 0.00 O ATOM 0 H TYR A 23 -8.059 -0.190 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.383 0.343 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.283 0.239 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.027 0.679 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.721 -2.139 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.732 -1.083 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.202 -4.474 -2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.192 -3.438 1.804 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.071 -5.513 1.009 1.00 0.00 H new ATOM 325 N ASP A 24 -7.809 2.775 -0.630 1.00 0.00 N ATOM 326 CA ASP A 24 -8.173 4.130 -1.084 1.00 0.00 C ATOM 327 C ASP A 24 -6.972 5.072 -0.965 1.00 0.00 C ATOM 328 O ASP A 24 -6.667 5.576 0.127 1.00 0.00 O ATOM 329 CB ASP A 24 -9.388 4.694 -0.293 1.00 0.00 C ATOM 330 CG ASP A 24 -10.711 3.945 -0.559 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.104 3.814 -1.739 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.387 3.533 0.413 1.00 0.00 O ATOM 0 H ASP A 24 -7.979 2.608 0.362 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.466 4.061 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.166 4.651 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.519 5.745 -0.549 1.00 0.00 H new ATOM 337 N ARG A 25 -6.253 5.244 -2.089 1.00 0.00 N ATOM 338 CA ARG A 25 -5.223 6.278 -2.233 1.00 0.00 C ATOM 339 C ARG A 25 -5.193 6.826 -3.660 1.00 0.00 C ATOM 340 O ARG A 25 -5.413 6.086 -4.630 1.00 0.00 O ATOM 341 CB ARG A 25 -3.810 5.781 -1.826 1.00 0.00 C ATOM 342 CG ARG A 25 -3.283 4.492 -2.519 1.00 0.00 C ATOM 343 CD ARG A 25 -3.667 3.199 -1.766 1.00 0.00 C ATOM 344 NE ARG A 25 -2.810 2.055 -2.154 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.115 1.277 -1.300 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.148 1.497 0.016 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.372 0.286 -1.777 1.00 0.00 N ATOM 0 H ARG A 25 -6.373 4.667 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.496 7.078 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.100 6.584 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.809 5.610 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.678 4.445 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.198 4.549 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.584 3.367 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.710 2.956 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.740 1.838 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.706 2.264 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.616 0.898 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.330 0.118 -2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.843 -0.308 -1.138 1.00 0.00 H new ATOM 361 N GLY A 26 -4.847 8.124 -3.775 1.00 0.00 N ATOM 362 CA GLY A 26 -4.772 8.823 -5.064 1.00 0.00 C ATOM 363 C GLY A 26 -3.460 8.581 -5.810 1.00 0.00 C ATOM 364 O GLY A 26 -2.971 9.473 -6.528 1.00 0.00 O ATOM 0 H GLY A 26 -4.613 8.712 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.603 8.502 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.894 9.893 -4.896 1.00 0.00 H new ATOM 368 N CYS A 27 -2.900 7.359 -5.673 1.00 0.00 N ATOM 369 CA CYS A 27 -1.654 6.956 -6.329 1.00 0.00 C ATOM 370 C CYS A 27 -1.749 5.523 -6.853 1.00 0.00 C ATOM 371 O CYS A 27 -2.648 4.756 -6.475 1.00 0.00 O ATOM 372 CB CYS A 27 -0.452 7.076 -5.365 1.00 0.00 C ATOM 373 SG CYS A 27 -0.583 6.064 -3.872 1.00 0.00 S ATOM 0 H CYS A 27 -3.310 6.624 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.498 7.631 -7.171 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.456 6.796 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.340 8.120 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 27 0.475 6.237 -3.136 1.00 0.00 H new ATOM 379 N LEU A 28 -0.809 5.190 -7.739 1.00 0.00 N ATOM 380 CA LEU A 28 -0.661 3.861 -8.334 1.00 0.00 C ATOM 381 C LEU A 28 0.768 3.366 -8.066 1.00 0.00 C ATOM 382 O LEU A 28 1.719 4.114 -8.267 1.00 0.00 O ATOM 383 CB LEU A 28 -0.903 3.941 -9.857 1.00 0.00 C ATOM 384 CG LEU A 28 -2.313 4.427 -10.331 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.309 4.779 -11.823 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.401 3.386 -10.039 1.00 0.00 C ATOM 0 H LEU A 28 -0.111 5.855 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.386 3.174 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.154 4.608 -10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.726 2.952 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.543 5.328 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.303 5.113 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.588 5.576 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.033 3.899 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.365 3.761 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.166 2.458 -10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.446 3.198 -8.966 1.00 0.00 H new ATOM 398 N LEU A 29 0.900 2.115 -7.625 1.00 0.00 N ATOM 399 CA LEU A 29 2.206 1.474 -7.371 1.00 0.00 C ATOM 400 C LEU A 29 2.921 1.193 -8.705 1.00 0.00 C ATOM 401 O LEU A 29 2.376 0.481 -9.560 1.00 0.00 O ATOM 402 CB LEU A 29 2.002 0.151 -6.579 1.00 0.00 C ATOM 403 CG LEU A 29 1.432 0.303 -5.127 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.219 -1.077 -4.457 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.335 1.216 -4.258 1.00 0.00 C ATOM 0 H LEU A 29 0.104 1.508 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 29 2.825 2.147 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.328 -0.490 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.960 -0.366 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 29 0.457 0.784 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.823 -0.936 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.513 -1.662 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.171 -1.605 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.911 1.300 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.334 0.785 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.395 2.206 -4.711 1.00 0.00 H new ATOM 417 N LYS A 30 4.139 1.752 -8.870 1.00 0.00 N ATOM 418 CA LYS A 30 4.943 1.553 -10.084 1.00 0.00 C ATOM 419 C LYS A 30 5.682 0.221 -9.988 1.00 0.00 C ATOM 420 O LYS A 30 6.761 0.146 -9.394 1.00 0.00 O ATOM 421 CB LYS A 30 5.951 2.714 -10.295 1.00 0.00 C ATOM 422 CG LYS A 30 6.839 2.591 -11.564 1.00 0.00 C ATOM 423 CD LYS A 30 6.132 3.036 -12.853 1.00 0.00 C ATOM 424 CE LYS A 30 7.050 2.967 -14.080 1.00 0.00 C ATOM 425 NZ LYS A 30 8.155 3.965 -14.020 1.00 0.00 N ATOM 0 H LYS A 30 4.584 2.347 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 30 4.273 1.541 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.397 3.651 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.599 2.775 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.739 3.191 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.160 1.555 -11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.259 2.406 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.770 4.057 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.473 1.965 -14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.461 3.135 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.757 3.867 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.755 4.924 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.725 3.800 -13.166 1.00 0.00 H new ATOM 439 N ALA A 31 5.054 -0.829 -10.514 1.00 0.00 N ATOM 440 CA ALA A 31 5.636 -2.164 -10.579 1.00 0.00 C ATOM 441 C ALA A 31 6.748 -2.194 -11.650 1.00 0.00 C ATOM 442 O ALA A 31 6.434 -2.217 -12.844 1.00 0.00 O ATOM 443 CB ALA A 31 4.546 -3.201 -10.887 1.00 0.00 C ATOM 0 H ALA A 31 4.116 -0.774 -10.911 1.00 0.00 H new ATOM 0 HA ALA A 31 6.077 -2.415 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.992 -4.195 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.790 -3.179 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.081 -2.967 -11.845 1.00 0.00 H new ATOM 449 N PRO A 32 8.065 -2.221 -11.247 1.00 0.00 N ATOM 450 CA PRO A 32 9.205 -2.193 -12.202 1.00 0.00 C ATOM 451 C PRO A 32 9.452 -3.577 -12.847 1.00 0.00 C ATOM 452 O PRO A 32 10.401 -3.765 -13.607 1.00 0.00 O ATOM 453 CB PRO A 32 10.379 -1.751 -11.300 1.00 0.00 C ATOM 454 CG PRO A 32 10.064 -2.367 -9.976 1.00 0.00 C ATOM 455 CD PRO A 32 8.555 -2.315 -9.836 1.00 0.00 C ATOM 0 HA PRO A 32 9.044 -1.532 -13.054 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.335 -2.103 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.443 -0.665 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.425 -3.395 -9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.549 -1.821 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.169 -3.204 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.238 -1.456 -9.245 1.00 0.00 H new ATOM 463 N CYS A 33 8.585 -4.542 -12.496 1.00 0.00 N ATOM 464 CA CYS A 33 8.567 -5.886 -13.083 1.00 0.00 C ATOM 465 C CYS A 33 7.896 -5.880 -14.473 1.00 0.00 C ATOM 466 O CYS A 33 8.145 -6.770 -15.292 1.00 0.00 O ATOM 467 CB CYS A 33 7.818 -6.817 -12.113 1.00 0.00 C ATOM 468 SG CYS A 33 6.238 -6.120 -11.529 1.00 0.00 S ATOM 0 H CYS A 33 7.867 -4.404 -11.785 1.00 0.00 H new ATOM 0 HA CYS A 33 9.588 -6.240 -13.229 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.627 -7.769 -12.607 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.456 -7.026 -11.254 1.00 0.00 H new ATOM 0 HG CYS A 33 5.476 -5.857 -12.549 1.00 0.00 H new ATOM 473 N CYS A 34 7.036 -4.870 -14.728 1.00 0.00 N ATOM 474 CA CYS A 34 6.319 -4.730 -16.016 1.00 0.00 C ATOM 475 C CYS A 34 5.997 -3.256 -16.339 1.00 0.00 C ATOM 476 O CYS A 34 5.176 -2.992 -17.224 1.00 0.00 O ATOM 477 CB CYS A 34 5.035 -5.602 -16.007 1.00 0.00 C ATOM 478 SG CYS A 34 3.961 -5.340 -14.559 1.00 0.00 S ATOM 0 H CYS A 34 6.820 -4.135 -14.055 1.00 0.00 H new ATOM 0 HA CYS A 34 6.976 -5.086 -16.809 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.463 -5.395 -16.911 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.323 -6.653 -16.046 1.00 0.00 H new ATOM 0 HG CYS A 34 2.948 -6.153 -14.617 1.00 0.00 H new ATOM 483 N ASP A 35 6.658 -2.304 -15.616 1.00 0.00 N ATOM 484 CA ASP A 35 6.563 -0.827 -15.867 1.00 0.00 C ATOM 485 C ASP A 35 5.133 -0.266 -15.616 1.00 0.00 C ATOM 486 O ASP A 35 4.836 0.894 -15.910 1.00 0.00 O ATOM 487 CB ASP A 35 7.078 -0.517 -17.315 1.00 0.00 C ATOM 488 CG ASP A 35 7.220 0.980 -17.643 1.00 0.00 C ATOM 489 OD1 ASP A 35 8.090 1.642 -17.045 1.00 0.00 O ATOM 490 OD2 ASP A 35 6.470 1.499 -18.507 1.00 0.00 O ATOM 0 H ASP A 35 7.275 -2.538 -14.838 1.00 0.00 H new ATOM 0 HA ASP A 35 7.200 -0.312 -15.148 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.047 -0.998 -17.452 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.394 -0.969 -18.033 1.00 0.00 H new ATOM 495 N LYS A 36 4.268 -1.086 -14.999 1.00 0.00 N ATOM 496 CA LYS A 36 2.830 -0.788 -14.864 1.00 0.00 C ATOM 497 C LYS A 36 2.486 -0.128 -13.530 1.00 0.00 C ATOM 498 O LYS A 36 3.251 -0.174 -12.573 1.00 0.00 O ATOM 499 CB LYS A 36 1.998 -2.066 -15.092 1.00 0.00 C ATOM 500 CG LYS A 36 1.883 -2.461 -16.573 1.00 0.00 C ATOM 501 CD LYS A 36 1.010 -3.704 -16.801 1.00 0.00 C ATOM 502 CE LYS A 36 0.689 -3.916 -18.285 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.107 -5.149 -18.514 1.00 0.00 N ATOM 0 H LYS A 36 4.543 -1.974 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 36 2.574 -0.060 -15.634 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.450 -2.889 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.998 -1.918 -14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.467 -1.625 -17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.880 -2.647 -16.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.523 -4.584 -16.412 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.081 -3.602 -16.240 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.139 -3.054 -18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.618 -3.974 -18.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.265 -5.654 -19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.043 -5.764 -17.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.101 -4.894 -18.681 1.00 0.00 H new ATOM 517 N LEU A 37 1.301 0.495 -13.515 1.00 0.00 N ATOM 518 CA LEU A 37 0.810 1.336 -12.411 1.00 0.00 C ATOM 519 C LEU A 37 -0.520 0.763 -11.886 1.00 0.00 C ATOM 520 O LEU A 37 -1.482 0.690 -12.649 1.00 0.00 O ATOM 521 CB LEU A 37 0.596 2.800 -12.918 1.00 0.00 C ATOM 522 CG LEU A 37 1.859 3.691 -13.167 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.759 3.752 -11.917 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.641 3.280 -14.434 1.00 0.00 C ATOM 0 H LEU A 37 0.639 0.428 -14.288 1.00 0.00 H new ATOM 0 HA LEU A 37 1.543 1.344 -11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.035 2.750 -13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.036 3.314 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 37 1.499 4.702 -13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.627 4.378 -12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.197 4.174 -11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.091 2.747 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.506 3.932 -14.556 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.976 2.248 -14.336 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.994 3.370 -15.306 1.00 0.00 H new ATOM 536 N TYR A 38 -0.566 0.342 -10.594 1.00 0.00 N ATOM 537 CA TYR A 38 -1.792 -0.219 -9.952 1.00 0.00 C ATOM 538 C TYR A 38 -1.864 0.171 -8.460 1.00 0.00 C ATOM 539 O TYR A 38 -0.936 -0.125 -7.716 1.00 0.00 O ATOM 540 CB TYR A 38 -1.827 -1.768 -10.047 1.00 0.00 C ATOM 541 CG TYR A 38 -1.914 -2.339 -11.470 1.00 0.00 C ATOM 542 CD1 TYR A 38 -3.143 -2.461 -12.126 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.771 -2.781 -12.144 1.00 0.00 C ATOM 544 CE1 TYR A 38 -3.224 -2.999 -13.397 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.856 -3.315 -13.414 1.00 0.00 C ATOM 546 CZ TYR A 38 -2.078 -3.427 -14.034 1.00 0.00 C ATOM 547 OH TYR A 38 -2.156 -3.968 -15.299 1.00 0.00 O ATOM 0 H TYR A 38 0.239 0.380 -9.969 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.643 0.199 -10.490 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.931 -2.165 -9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.681 -2.131 -9.475 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.044 -2.129 -11.631 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.193 -2.703 -11.663 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.181 -3.084 -13.889 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.038 -3.645 -13.921 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.913 -3.571 -15.778 1.00 0.00 H new ATOM 557 N THR A 39 -2.995 0.785 -8.030 1.00 0.00 N ATOM 558 CA THR A 39 -3.235 1.205 -6.622 1.00 0.00 C ATOM 559 C THR A 39 -3.073 0.016 -5.633 1.00 0.00 C ATOM 560 O THR A 39 -2.510 0.161 -4.536 1.00 0.00 O ATOM 561 CB THR A 39 -4.682 1.811 -6.464 1.00 0.00 C ATOM 562 OG1 THR A 39 -4.912 2.835 -7.432 1.00 0.00 O ATOM 563 CG2 THR A 39 -4.940 2.399 -5.074 1.00 0.00 C ATOM 0 H THR A 39 -3.772 1.005 -8.653 1.00 0.00 H new ATOM 0 HA THR A 39 -2.489 1.963 -6.382 1.00 0.00 H new ATOM 0 HB THR A 39 -5.367 0.976 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.816 3.196 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.953 2.800 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.826 1.618 -4.322 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.225 3.198 -4.879 1.00 0.00 H new ATOM 571 N CYS A 40 -3.568 -1.164 -6.050 1.00 0.00 N ATOM 572 CA CYS A 40 -3.523 -2.401 -5.246 1.00 0.00 C ATOM 573 C CYS A 40 -2.510 -3.383 -5.847 1.00 0.00 C ATOM 574 O CYS A 40 -2.326 -3.405 -7.073 1.00 0.00 O ATOM 575 CB CYS A 40 -4.913 -3.070 -5.232 1.00 0.00 C ATOM 576 SG CYS A 40 -6.296 -1.922 -5.079 1.00 0.00 S ATOM 0 H CYS A 40 -4.013 -1.287 -6.959 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.226 -2.142 -4.230 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.035 -3.645 -6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.953 -3.779 -4.405 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.396 -2.517 -5.434 1.00 0.00 H new ATOM 581 N ARG A 41 -1.886 -4.223 -4.992 1.00 0.00 N ATOM 582 CA ARG A 41 -1.049 -5.342 -5.469 1.00 0.00 C ATOM 583 C ARG A 41 -1.935 -6.385 -6.191 1.00 0.00 C ATOM 584 O ARG A 41 -1.546 -6.934 -7.208 1.00 0.00 O ATOM 585 CB ARG A 41 -0.248 -6.016 -4.312 1.00 0.00 C ATOM 586 CG ARG A 41 -1.092 -6.815 -3.280 1.00 0.00 C ATOM 587 CD ARG A 41 -0.231 -7.680 -2.342 1.00 0.00 C ATOM 588 NE ARG A 41 -1.057 -8.590 -1.517 1.00 0.00 N ATOM 589 CZ ARG A 41 -0.638 -9.746 -0.972 1.00 0.00 C ATOM 590 NH1 ARG A 41 0.615 -10.157 -1.125 1.00 0.00 N ATOM 591 NH2 ARG A 41 -1.485 -10.489 -0.277 1.00 0.00 N ATOM 0 H ARG A 41 -1.946 -4.147 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.318 -4.935 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.489 -6.690 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.305 -5.242 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.682 -6.119 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.796 -7.455 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.474 -8.265 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.358 -7.034 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.025 -8.318 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.275 -9.594 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.918 -11.036 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.451 -10.184 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.172 -11.366 0.138 1.00 0.00 H new ATOM 605 N LEU A 42 -3.155 -6.604 -5.662 1.00 0.00 N ATOM 606 CA LEU A 42 -4.110 -7.594 -6.202 1.00 0.00 C ATOM 607 C LEU A 42 -4.696 -7.139 -7.560 1.00 0.00 C ATOM 608 O LEU A 42 -5.012 -7.967 -8.412 1.00 0.00 O ATOM 609 CB LEU A 42 -5.208 -7.904 -5.130 1.00 0.00 C ATOM 610 CG LEU A 42 -6.016 -6.683 -4.541 1.00 0.00 C ATOM 611 CD1 LEU A 42 -7.194 -6.260 -5.446 1.00 0.00 C ATOM 612 CD2 LEU A 42 -6.510 -6.961 -3.099 1.00 0.00 C ATOM 0 H LEU A 42 -3.507 -6.100 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.583 -8.525 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.923 -8.599 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.730 -8.423 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.316 -5.848 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.716 -5.416 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.814 -5.969 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.885 -7.096 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.061 -6.096 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.163 -7.834 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.654 -7.149 -2.451 1.00 0.00 H new ATOM 624 N CYS A 43 -4.807 -5.801 -7.756 1.00 0.00 N ATOM 625 CA CYS A 43 -5.248 -5.212 -9.050 1.00 0.00 C ATOM 626 C CYS A 43 -4.174 -5.427 -10.134 1.00 0.00 C ATOM 627 O CYS A 43 -4.489 -5.581 -11.317 1.00 0.00 O ATOM 628 CB CYS A 43 -5.637 -3.713 -8.898 1.00 0.00 C ATOM 629 SG CYS A 43 -7.410 -3.456 -8.523 1.00 0.00 S ATOM 0 H CYS A 43 -4.598 -5.109 -7.037 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.151 -5.732 -9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.037 -3.268 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.388 -3.186 -9.819 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.625 -3.690 -7.262 1.00 0.00 H new ATOM 634 N HIS A 44 -2.904 -5.455 -9.701 1.00 0.00 N ATOM 635 CA HIS A 44 -1.771 -5.854 -10.556 1.00 0.00 C ATOM 636 C HIS A 44 -1.893 -7.342 -10.923 1.00 0.00 C ATOM 637 O HIS A 44 -1.843 -7.699 -12.096 1.00 0.00 O ATOM 638 CB HIS A 44 -0.430 -5.545 -9.829 1.00 0.00 C ATOM 639 CG HIS A 44 0.794 -6.205 -10.417 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.154 -7.501 -10.119 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.769 -5.729 -11.248 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.293 -7.767 -10.742 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.715 -6.737 -11.440 1.00 0.00 N ATOM 0 H HIS A 44 -2.632 -5.203 -8.751 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.787 -5.282 -11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.276 -4.466 -9.831 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.522 -5.852 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.802 -4.741 -11.682 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.810 -8.713 -10.683 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.561 -6.685 -12.007 1.00 0.00 H new ATOM 651 N ASP A 45 -2.114 -8.178 -9.894 1.00 0.00 N ATOM 652 CA ASP A 45 -2.198 -9.652 -10.019 1.00 0.00 C ATOM 653 C ASP A 45 -3.328 -10.078 -10.991 1.00 0.00 C ATOM 654 O ASP A 45 -3.206 -11.079 -11.701 1.00 0.00 O ATOM 655 CB ASP A 45 -2.436 -10.273 -8.618 1.00 0.00 C ATOM 656 CG ASP A 45 -2.254 -11.802 -8.583 1.00 0.00 C ATOM 657 OD1 ASP A 45 -1.108 -12.269 -8.399 1.00 0.00 O ATOM 658 OD2 ASP A 45 -3.256 -12.540 -8.717 1.00 0.00 O ATOM 0 H ASP A 45 -2.242 -7.849 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.257 -10.016 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.748 -9.817 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.445 -10.028 -8.288 1.00 0.00 H new ATOM 663 N ASN A 46 -4.410 -9.277 -11.006 1.00 0.00 N ATOM 664 CA ASN A 46 -5.598 -9.497 -11.861 1.00 0.00 C ATOM 665 C ASN A 46 -5.238 -9.523 -13.362 1.00 0.00 C ATOM 666 O ASN A 46 -5.735 -10.371 -14.116 1.00 0.00 O ATOM 667 CB ASN A 46 -6.643 -8.384 -11.575 1.00 0.00 C ATOM 668 CG ASN A 46 -7.860 -8.411 -12.515 1.00 0.00 C ATOM 669 OD1 ASN A 46 -7.830 -7.596 -13.567 1.00 0.00 O flip ATOM 670 ND2 ASN A 46 -8.823 -9.145 -12.289 1.00 0.00 N flip ATOM 0 H ASN A 46 -4.487 -8.447 -10.418 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.016 -10.474 -11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.990 -8.481 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.155 -7.413 -11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.816 -9.759 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.627 -9.139 -12.917 1.00 0.00 H new ATOM 677 N ASN A 47 -4.364 -8.597 -13.775 1.00 0.00 N ATOM 678 CA ASN A 47 -3.983 -8.421 -15.191 1.00 0.00 C ATOM 679 C ASN A 47 -2.734 -9.246 -15.530 1.00 0.00 C ATOM 680 O ASN A 47 -2.620 -9.804 -16.631 1.00 0.00 O ATOM 681 CB ASN A 47 -3.739 -6.918 -15.495 1.00 0.00 C ATOM 682 CG ASN A 47 -5.000 -6.069 -15.300 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.790 -5.890 -16.224 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.210 -5.560 -14.095 1.00 0.00 N ATOM 0 H ASN A 47 -3.899 -7.947 -13.142 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.803 -8.779 -15.814 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.948 -6.543 -14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.387 -6.810 -16.521 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.045 -5.003 -13.915 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.536 -5.725 -13.347 1.00 0.00 H new ATOM 691 N GLU A 48 -1.818 -9.353 -14.557 1.00 0.00 N ATOM 692 CA GLU A 48 -0.472 -9.907 -14.774 1.00 0.00 C ATOM 693 C GLU A 48 -0.404 -11.417 -14.507 1.00 0.00 C ATOM 694 O GLU A 48 -1.218 -11.983 -13.774 1.00 0.00 O ATOM 695 CB GLU A 48 0.562 -9.154 -13.894 1.00 0.00 C ATOM 696 CG GLU A 48 0.607 -7.627 -14.130 1.00 0.00 C ATOM 697 CD GLU A 48 0.873 -7.240 -15.592 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.045 -7.263 -16.013 1.00 0.00 O ATOM 699 OE2 GLU A 48 -0.090 -6.930 -16.325 1.00 0.00 O ATOM 0 H GLU A 48 -1.989 -9.058 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.230 -9.762 -15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.333 -9.341 -12.845 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.552 -9.568 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.340 -7.191 -13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.384 -7.193 -13.501 1.00 0.00 H new ATOM 706 N ASP A 49 0.612 -12.031 -15.121 1.00 0.00 N ATOM 707 CA ASP A 49 0.946 -13.459 -14.973 1.00 0.00 C ATOM 708 C ASP A 49 1.782 -13.713 -13.701 1.00 0.00 C ATOM 709 O ASP A 49 2.097 -14.863 -13.379 1.00 0.00 O ATOM 710 CB ASP A 49 1.744 -13.925 -16.224 1.00 0.00 C ATOM 711 CG ASP A 49 3.077 -13.166 -16.398 1.00 0.00 C ATOM 712 OD1 ASP A 49 3.050 -11.990 -16.827 1.00 0.00 O ATOM 713 OD2 ASP A 49 4.149 -13.712 -16.063 1.00 0.00 O ATOM 0 H ASP A 49 1.244 -11.539 -15.752 1.00 0.00 H new ATOM 0 HA ASP A 49 0.018 -14.024 -14.883 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.947 -14.993 -16.143 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.131 -13.783 -17.114 1.00 0.00 H new ATOM 718 N HIS A 50 2.128 -12.635 -12.983 1.00 0.00 N ATOM 719 CA HIS A 50 3.088 -12.671 -11.867 1.00 0.00 C ATOM 720 C HIS A 50 2.629 -11.729 -10.734 1.00 0.00 C ATOM 721 O HIS A 50 1.712 -10.921 -10.923 1.00 0.00 O ATOM 722 CB HIS A 50 4.496 -12.285 -12.400 1.00 0.00 C ATOM 723 CG HIS A 50 4.563 -10.903 -13.006 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.192 -10.599 -14.295 1.00 0.00 N ATOM 725 CD2 HIS A 50 4.910 -9.729 -12.439 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.309 -9.273 -14.454 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.742 -8.696 -13.347 1.00 0.00 N ATOM 0 H HIS A 50 1.747 -11.706 -13.161 1.00 0.00 H new ATOM 0 HA HIS A 50 3.137 -13.677 -11.449 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.213 -12.347 -11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.803 -13.015 -13.149 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.266 -9.612 -11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.079 -8.745 -15.368 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.915 -7.703 -13.194 1.00 0.00 H new ATOM 735 N GLN A 51 3.300 -11.825 -9.571 1.00 0.00 N ATOM 736 CA GLN A 51 2.947 -11.063 -8.351 1.00 0.00 C ATOM 737 C GLN A 51 3.852 -9.826 -8.162 1.00 0.00 C ATOM 738 O GLN A 51 5.028 -9.827 -8.546 1.00 0.00 O ATOM 739 CB GLN A 51 3.003 -11.975 -7.096 1.00 0.00 C ATOM 740 CG GLN A 51 2.006 -13.156 -7.138 1.00 0.00 C ATOM 741 CD GLN A 51 1.847 -13.891 -5.799 1.00 0.00 C ATOM 742 OE1 GLN A 51 2.779 -13.966 -4.997 1.00 0.00 O ATOM 743 NE2 GLN A 51 0.659 -14.422 -5.541 1.00 0.00 N ATOM 0 H GLN A 51 4.107 -12.436 -9.447 1.00 0.00 H new ATOM 0 HA GLN A 51 1.925 -10.706 -8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.014 -12.369 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.801 -11.372 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.031 -12.784 -7.454 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.335 -13.869 -7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.094 -14.344 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.498 -14.908 -4.659 1.00 0.00 H new ATOM 752 N LEU A 52 3.252 -8.767 -7.587 1.00 0.00 N ATOM 753 CA LEU A 52 3.905 -7.482 -7.315 1.00 0.00 C ATOM 754 C LEU A 52 4.614 -7.556 -5.960 1.00 0.00 C ATOM 755 O LEU A 52 3.958 -7.685 -4.916 1.00 0.00 O ATOM 756 CB LEU A 52 2.840 -6.328 -7.340 1.00 0.00 C ATOM 757 CG LEU A 52 3.356 -4.838 -7.179 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.450 -3.831 -7.930 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.480 -4.415 -5.692 1.00 0.00 C ATOM 0 H LEU A 52 2.275 -8.786 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 52 4.648 -7.269 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.298 -6.394 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.120 -6.520 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 52 4.350 -4.817 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.838 -2.821 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.437 -4.075 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.437 -3.887 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.837 -3.387 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.505 -4.488 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.185 -5.073 -5.184 1.00 0.00 H new ATOM 771 N ASP A 53 5.946 -7.510 -5.992 1.00 0.00 N ATOM 772 CA ASP A 53 6.761 -7.311 -4.795 1.00 0.00 C ATOM 773 C ASP A 53 6.823 -5.805 -4.493 1.00 0.00 C ATOM 774 O ASP A 53 7.382 -5.028 -5.278 1.00 0.00 O ATOM 775 CB ASP A 53 8.190 -7.893 -4.982 1.00 0.00 C ATOM 776 CG ASP A 53 8.285 -9.425 -5.116 1.00 0.00 C ATOM 777 OD1 ASP A 53 7.269 -10.138 -4.934 1.00 0.00 O ATOM 778 OD2 ASP A 53 9.399 -9.928 -5.394 1.00 0.00 O ATOM 0 H ASP A 53 6.490 -7.610 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 53 6.307 -7.840 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.630 -7.443 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.800 -7.584 -4.133 1.00 0.00 H new ATOM 783 N ARG A 54 6.190 -5.408 -3.383 1.00 0.00 N ATOM 784 CA ARG A 54 6.131 -3.998 -2.927 1.00 0.00 C ATOM 785 C ARG A 54 7.529 -3.408 -2.640 1.00 0.00 C ATOM 786 O ARG A 54 7.721 -2.191 -2.747 1.00 0.00 O ATOM 787 CB ARG A 54 5.214 -3.839 -1.676 1.00 0.00 C ATOM 788 CG ARG A 54 5.685 -4.551 -0.371 1.00 0.00 C ATOM 789 CD ARG A 54 5.422 -6.061 -0.362 1.00 0.00 C ATOM 790 NE ARG A 54 5.818 -6.693 0.914 1.00 0.00 N ATOM 791 CZ ARG A 54 5.878 -8.015 1.129 1.00 0.00 C ATOM 792 NH1 ARG A 54 5.653 -8.880 0.149 1.00 0.00 N ATOM 793 NH2 ARG A 54 6.208 -8.470 2.327 1.00 0.00 N ATOM 0 H ARG A 54 5.698 -6.054 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 54 5.698 -3.432 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.108 -2.775 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.223 -4.214 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.753 -4.377 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.179 -4.098 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.363 -6.244 -0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.969 -6.528 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 54 6.064 -6.077 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.430 -8.543 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.703 -9.882 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.415 -7.816 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.255 -9.475 2.496 1.00 0.00 H new ATOM 807 N PHE A 55 8.491 -4.281 -2.278 1.00 0.00 N ATOM 808 CA PHE A 55 9.895 -3.886 -2.032 1.00 0.00 C ATOM 809 C PHE A 55 10.614 -3.521 -3.350 1.00 0.00 C ATOM 810 O PHE A 55 11.541 -2.701 -3.341 1.00 0.00 O ATOM 811 CB PHE A 55 10.666 -5.012 -1.281 1.00 0.00 C ATOM 812 CG PHE A 55 10.317 -5.144 0.206 1.00 0.00 C ATOM 813 CD1 PHE A 55 10.964 -4.352 1.155 1.00 0.00 C ATOM 814 CD2 PHE A 55 9.381 -6.072 0.658 1.00 0.00 C ATOM 815 CE1 PHE A 55 10.675 -4.472 2.501 1.00 0.00 C ATOM 816 CE2 PHE A 55 9.089 -6.192 2.005 1.00 0.00 C ATOM 817 CZ PHE A 55 9.742 -5.398 2.927 1.00 0.00 C ATOM 0 H PHE A 55 8.318 -5.278 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 55 9.882 -2.998 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.464 -5.963 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.736 -4.826 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.703 -3.633 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.876 -6.707 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.178 -3.842 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.350 -6.907 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 55 9.524 -5.501 3.980 1.00 0.00 H new ATOM 827 N LYS A 56 10.190 -4.136 -4.480 1.00 0.00 N ATOM 828 CA LYS A 56 10.750 -3.816 -5.814 1.00 0.00 C ATOM 829 C LYS A 56 10.265 -2.434 -6.274 1.00 0.00 C ATOM 830 O LYS A 56 11.007 -1.688 -6.925 1.00 0.00 O ATOM 831 CB LYS A 56 10.314 -4.863 -6.867 1.00 0.00 C ATOM 832 CG LYS A 56 10.776 -6.300 -6.622 1.00 0.00 C ATOM 833 CD LYS A 56 12.303 -6.491 -6.726 1.00 0.00 C ATOM 834 CE LYS A 56 12.668 -7.952 -7.014 1.00 0.00 C ATOM 835 NZ LYS A 56 12.132 -8.896 -5.995 1.00 0.00 N ATOM 0 H LYS A 56 9.465 -4.853 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 56 11.836 -3.825 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.226 -4.858 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.686 -4.545 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.447 -6.613 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.288 -6.956 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.697 -5.854 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.775 -6.174 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.285 -8.230 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.753 -8.048 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.584 -9.825 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.333 -8.529 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.104 -8.994 -6.119 1.00 0.00 H new ATOM 849 N VAL A 57 9.012 -2.109 -5.906 1.00 0.00 N ATOM 850 CA VAL A 57 8.383 -0.827 -6.242 1.00 0.00 C ATOM 851 C VAL A 57 9.091 0.288 -5.463 1.00 0.00 C ATOM 852 O VAL A 57 9.067 0.289 -4.234 1.00 0.00 O ATOM 853 CB VAL A 57 6.840 -0.836 -5.909 1.00 0.00 C ATOM 854 CG1 VAL A 57 6.151 0.490 -6.280 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.130 -2.031 -6.582 1.00 0.00 C ATOM 0 H VAL A 57 8.410 -2.731 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 57 8.481 -0.655 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 57 6.754 -0.949 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.091 0.432 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.610 1.307 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.263 0.672 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.069 -2.010 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.252 -1.965 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.568 -2.963 -6.224 1.00 0.00 H new ATOM 865 N LYS A 58 9.778 1.182 -6.187 1.00 0.00 N ATOM 866 CA LYS A 58 10.476 2.340 -5.592 1.00 0.00 C ATOM 867 C LYS A 58 9.732 3.644 -5.943 1.00 0.00 C ATOM 868 O LYS A 58 9.772 4.628 -5.193 1.00 0.00 O ATOM 869 CB LYS A 58 11.951 2.369 -6.081 1.00 0.00 C ATOM 870 CG LYS A 58 12.843 3.440 -5.402 1.00 0.00 C ATOM 871 CD LYS A 58 12.806 3.354 -3.851 1.00 0.00 C ATOM 872 CE LYS A 58 13.745 4.364 -3.167 1.00 0.00 C ATOM 873 NZ LYS A 58 15.178 4.062 -3.422 1.00 0.00 N ATOM 0 H LYS A 58 9.868 1.127 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 58 10.483 2.247 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.394 1.388 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.958 2.540 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.871 3.321 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.516 4.431 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.786 3.526 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.081 2.345 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.518 5.368 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.560 4.359 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.773 4.727 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.387 3.089 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.378 4.159 -4.438 1.00 0.00 H new ATOM 887 N GLU A 59 9.019 3.613 -7.075 1.00 0.00 N ATOM 888 CA GLU A 59 8.247 4.755 -7.581 1.00 0.00 C ATOM 889 C GLU A 59 6.754 4.550 -7.309 1.00 0.00 C ATOM 890 O GLU A 59 6.339 3.552 -6.715 1.00 0.00 O ATOM 891 CB GLU A 59 8.479 4.941 -9.106 1.00 0.00 C ATOM 892 CG GLU A 59 9.857 5.473 -9.493 1.00 0.00 C ATOM 893 CD GLU A 59 10.000 5.663 -11.018 1.00 0.00 C ATOM 894 OE1 GLU A 59 9.944 4.649 -11.756 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.146 6.816 -11.487 1.00 0.00 O ATOM 0 H GLU A 59 8.961 2.787 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 59 8.586 5.651 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.325 3.982 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.722 5.624 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.031 6.425 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.623 4.783 -9.141 1.00 0.00 H new ATOM 902 N VAL A 60 5.983 5.524 -7.776 1.00 0.00 N ATOM 903 CA VAL A 60 4.520 5.542 -7.803 1.00 0.00 C ATOM 904 C VAL A 60 4.127 6.495 -8.942 1.00 0.00 C ATOM 905 O VAL A 60 4.996 7.025 -9.653 1.00 0.00 O ATOM 906 CB VAL A 60 3.846 6.040 -6.446 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.960 5.000 -5.300 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.413 7.418 -6.006 1.00 0.00 C ATOM 0 H VAL A 60 6.383 6.375 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 60 4.164 4.522 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 60 2.783 6.158 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.484 5.394 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.465 4.075 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.011 4.799 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.933 7.729 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.488 7.335 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.216 8.157 -6.782 1.00 0.00 H new ATOM 918 N GLN A 61 2.828 6.695 -9.149 1.00 0.00 N ATOM 919 CA GLN A 61 2.352 7.855 -9.913 1.00 0.00 C ATOM 920 C GLN A 61 1.139 8.462 -9.223 1.00 0.00 C ATOM 921 O GLN A 61 0.477 7.813 -8.419 1.00 0.00 O ATOM 922 CB GLN A 61 2.049 7.534 -11.404 1.00 0.00 C ATOM 923 CG GLN A 61 0.639 7.026 -11.754 1.00 0.00 C ATOM 924 CD GLN A 61 0.311 7.112 -13.262 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.418 6.288 -13.805 1.00 0.00 O ATOM 926 NE2 GLN A 61 0.820 8.125 -13.951 1.00 0.00 N ATOM 0 H GLN A 61 2.091 6.080 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 61 3.164 8.582 -9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.234 8.437 -11.986 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.768 6.786 -11.739 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.543 5.990 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.097 7.606 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.425 8.804 -13.488 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.607 8.225 -14.943 1.00 0.00 H new ATOM 935 N CYS A 62 0.866 9.706 -9.557 1.00 0.00 N ATOM 936 CA CYS A 62 -0.284 10.452 -9.063 1.00 0.00 C ATOM 937 C CYS A 62 -1.389 10.319 -10.088 1.00 0.00 C ATOM 938 O CYS A 62 -1.192 10.719 -11.219 1.00 0.00 O ATOM 939 CB CYS A 62 0.130 11.918 -8.895 1.00 0.00 C ATOM 940 SG CYS A 62 -1.214 13.110 -8.626 1.00 0.00 S ATOM 0 H CYS A 62 1.450 10.245 -10.196 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.633 10.074 -8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.819 11.984 -8.053 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.683 12.221 -9.784 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.291 13.914 -9.644 1.00 0.00 H new ATOM 945 N ILE A 63 -2.535 9.745 -9.708 1.00 0.00 N ATOM 946 CA ILE A 63 -3.659 9.536 -10.643 1.00 0.00 C ATOM 947 C ILE A 63 -4.244 10.914 -11.043 1.00 0.00 C ATOM 948 O ILE A 63 -4.703 11.124 -12.171 1.00 0.00 O ATOM 949 CB ILE A 63 -4.776 8.620 -10.013 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.148 7.417 -9.235 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.730 8.096 -11.109 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.143 6.485 -8.559 1.00 0.00 C ATOM 0 H ILE A 63 -2.714 9.415 -8.760 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.287 9.022 -11.529 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.344 9.227 -9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.543 6.833 -9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.472 7.811 -8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.494 7.465 -10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.206 8.939 -11.611 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.164 7.513 -11.836 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.605 5.686 -8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.733 7.046 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.806 6.054 -9.310 1.00 0.00 H new ATOM 964 N ASN A 64 -4.140 11.859 -10.090 1.00 0.00 N ATOM 965 CA ASN A 64 -4.595 13.253 -10.231 1.00 0.00 C ATOM 966 C ASN A 64 -3.460 14.136 -10.821 1.00 0.00 C ATOM 967 O ASN A 64 -2.827 14.908 -10.095 1.00 0.00 O ATOM 968 CB ASN A 64 -5.032 13.755 -8.840 1.00 0.00 C ATOM 969 CG ASN A 64 -5.742 15.113 -8.838 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.959 15.186 -8.979 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.995 16.192 -8.654 1.00 0.00 N ATOM 0 H ASN A 64 -3.726 11.668 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.437 13.312 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.695 13.014 -8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.152 13.821 -8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.429 17.114 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.986 16.100 -8.540 1.00 0.00 H new ATOM 978 N CYS A 65 -3.131 13.839 -12.090 1.00 0.00 N ATOM 979 CA CYS A 65 -2.273 14.634 -13.043 1.00 0.00 C ATOM 980 C CYS A 65 -1.325 13.695 -13.802 1.00 0.00 C ATOM 981 O CYS A 65 -0.606 14.136 -14.701 1.00 0.00 O ATOM 982 CB CYS A 65 -1.440 15.821 -12.439 1.00 0.00 C ATOM 983 SG CYS A 65 -0.012 15.346 -11.392 1.00 0.00 S ATOM 0 H CYS A 65 -3.471 12.982 -12.526 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.000 15.115 -13.698 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.074 16.438 -13.260 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.109 16.444 -11.846 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.228 15.722 -10.167 1.00 0.00 H new ATOM 988 N GLU A 66 -1.301 12.405 -13.388 1.00 0.00 N ATOM 989 CA GLU A 66 -0.594 11.300 -14.108 1.00 0.00 C ATOM 990 C GLU A 66 0.945 11.437 -14.034 1.00 0.00 C ATOM 991 O GLU A 66 1.670 10.787 -14.793 1.00 0.00 O ATOM 992 CB GLU A 66 -1.102 11.168 -15.580 1.00 0.00 C ATOM 993 CG GLU A 66 -2.595 10.788 -15.696 1.00 0.00 C ATOM 994 CD GLU A 66 -3.126 10.837 -17.137 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.994 9.838 -17.871 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.689 11.877 -17.541 1.00 0.00 O ATOM 0 H GLU A 66 -1.773 12.092 -12.540 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.841 10.372 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.937 12.113 -16.097 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.505 10.415 -16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.739 9.784 -15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.184 11.464 -15.076 1.00 0.00 H new ATOM 1003 N LYS A 67 1.424 12.259 -13.085 1.00 0.00 N ATOM 1004 CA LYS A 67 2.856 12.465 -12.839 1.00 0.00 C ATOM 1005 C LYS A 67 3.494 11.189 -12.270 1.00 0.00 C ATOM 1006 O LYS A 67 3.083 10.719 -11.207 1.00 0.00 O ATOM 1007 CB LYS A 67 3.044 13.659 -11.855 1.00 0.00 C ATOM 1008 CG LYS A 67 4.496 13.958 -11.396 1.00 0.00 C ATOM 1009 CD LYS A 67 5.457 14.307 -12.555 1.00 0.00 C ATOM 1010 CE LYS A 67 5.012 15.528 -13.384 1.00 0.00 C ATOM 1011 NZ LYS A 67 5.990 15.872 -14.448 1.00 0.00 N ATOM 0 H LYS A 67 0.822 12.801 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 67 3.353 12.697 -13.781 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.644 14.556 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.439 13.469 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.480 14.786 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.885 13.090 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.449 14.498 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.545 13.444 -13.215 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.042 15.323 -13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.880 16.385 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.649 16.699 -14.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.910 16.094 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.097 15.065 -15.095 1.00 0.00 H new ATOM 1025 N ILE A 68 4.498 10.652 -12.986 1.00 0.00 N ATOM 1026 CA ILE A 68 5.322 9.538 -12.498 1.00 0.00 C ATOM 1027 C ILE A 68 6.373 10.144 -11.577 1.00 0.00 C ATOM 1028 O ILE A 68 7.103 11.063 -11.977 1.00 0.00 O ATOM 1029 CB ILE A 68 6.038 8.756 -13.670 1.00 0.00 C ATOM 1030 CG1 ILE A 68 4.994 8.095 -14.631 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.042 7.700 -13.118 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.319 6.837 -14.092 1.00 0.00 C ATOM 0 H ILE A 68 4.758 10.979 -13.916 1.00 0.00 H new ATOM 0 HA ILE A 68 4.686 8.816 -11.986 1.00 0.00 H new ATOM 0 HB ILE A 68 6.609 9.482 -14.248 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.223 8.830 -14.865 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.493 7.847 -15.568 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.517 7.180 -13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.804 8.200 -12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.508 6.980 -12.497 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.615 6.457 -14.832 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.074 6.078 -13.886 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.785 7.076 -13.172 1.00 0.00 H new ATOM 1044 N GLN A 69 6.425 9.661 -10.341 1.00 0.00 N ATOM 1045 CA GLN A 69 7.256 10.264 -9.306 1.00 0.00 C ATOM 1046 C GLN A 69 7.808 9.207 -8.356 1.00 0.00 C ATOM 1047 O GLN A 69 7.337 8.071 -8.318 1.00 0.00 O ATOM 1048 CB GLN A 69 6.428 11.327 -8.521 1.00 0.00 C ATOM 1049 CG GLN A 69 5.189 10.770 -7.779 1.00 0.00 C ATOM 1050 CD GLN A 69 4.450 11.827 -6.955 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.514 12.477 -7.436 1.00 0.00 O ATOM 1052 NE2 GLN A 69 4.871 12.010 -5.704 1.00 0.00 N ATOM 0 H GLN A 69 5.896 8.846 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 69 8.105 10.752 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.081 11.811 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.100 12.098 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.501 10.341 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.502 9.960 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.646 11.456 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.418 12.704 -5.110 1.00 0.00 H new ATOM 1061 N HIS A 70 8.834 9.614 -7.612 1.00 0.00 N ATOM 1062 CA HIS A 70 9.356 8.883 -6.451 1.00 0.00 C ATOM 1063 C HIS A 70 8.249 8.666 -5.395 1.00 0.00 C ATOM 1064 O HIS A 70 7.312 9.477 -5.296 1.00 0.00 O ATOM 1065 CB HIS A 70 10.531 9.683 -5.835 1.00 0.00 C ATOM 1066 CG HIS A 70 10.147 11.051 -5.297 1.00 0.00 C ATOM 1067 ND1 HIS A 70 10.359 11.428 -3.995 1.00 0.00 N ATOM 1068 CD2 HIS A 70 9.565 12.125 -5.898 1.00 0.00 C ATOM 1069 CE1 HIS A 70 9.925 12.655 -3.815 1.00 0.00 C ATOM 1070 NE2 HIS A 70 9.440 13.106 -4.954 1.00 0.00 N ATOM 0 H HIS A 70 9.339 10.480 -7.801 1.00 0.00 H new ATOM 0 HA HIS A 70 9.707 7.904 -6.776 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.968 9.098 -5.026 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.305 9.808 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.258 12.190 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.960 13.204 -2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.039 14.031 -5.106 1.00 0.00 H new ATOM 1079 N ALA A 71 8.365 7.578 -4.622 1.00 0.00 N ATOM 1080 CA ALA A 71 7.394 7.253 -3.566 1.00 0.00 C ATOM 1081 C ALA A 71 7.418 8.291 -2.426 1.00 0.00 C ATOM 1082 O ALA A 71 8.227 8.210 -1.491 1.00 0.00 O ATOM 1083 CB ALA A 71 7.631 5.851 -3.032 1.00 0.00 C ATOM 0 H ALA A 71 9.126 6.904 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 71 6.400 7.288 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.902 5.631 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.524 5.130 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.637 5.785 -2.618 1.00 0.00 H new ATOM 1089 N GLN A 72 6.544 9.286 -2.571 1.00 0.00 N ATOM 1090 CA GLN A 72 6.303 10.339 -1.584 1.00 0.00 C ATOM 1091 C GLN A 72 4.813 10.300 -1.224 1.00 0.00 C ATOM 1092 O GLN A 72 3.992 9.956 -2.072 1.00 0.00 O ATOM 1093 CB GLN A 72 6.725 11.714 -2.178 1.00 0.00 C ATOM 1094 CG GLN A 72 6.553 12.933 -1.243 1.00 0.00 C ATOM 1095 CD GLN A 72 7.235 14.202 -1.779 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.395 14.475 -1.463 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.539 14.961 -2.617 1.00 0.00 N ATOM 0 H GLN A 72 5.965 9.385 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 72 6.893 10.187 -0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.772 11.654 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.145 11.890 -3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.490 13.130 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.964 12.693 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.581 14.708 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.962 15.797 -3.019 1.00 0.00 H new ATOM 1106 N GLN A 73 4.476 10.643 0.031 1.00 0.00 N ATOM 1107 CA GLN A 73 3.088 10.566 0.547 1.00 0.00 C ATOM 1108 C GLN A 73 2.152 11.576 -0.168 1.00 0.00 C ATOM 1109 O GLN A 73 0.929 11.389 -0.216 1.00 0.00 O ATOM 1110 CB GLN A 73 3.088 10.793 2.084 1.00 0.00 C ATOM 1111 CG GLN A 73 1.709 10.647 2.765 1.00 0.00 C ATOM 1112 CD GLN A 73 1.721 10.943 4.267 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.526 11.731 4.758 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.809 10.331 5.010 1.00 0.00 N ATOM 0 H GLN A 73 5.151 10.981 0.718 1.00 0.00 H new ATOM 0 HA GLN A 73 2.698 9.570 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.779 10.085 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.474 11.792 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.002 11.319 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.344 9.632 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.152 9.681 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.765 10.510 6.013 1.00 0.00 H new ATOM 1123 N THR A 74 2.746 12.634 -0.743 1.00 0.00 N ATOM 1124 CA THR A 74 2.013 13.679 -1.474 1.00 0.00 C ATOM 1125 C THR A 74 2.678 13.926 -2.843 1.00 0.00 C ATOM 1126 O THR A 74 3.874 13.675 -3.027 1.00 0.00 O ATOM 1127 CB THR A 74 1.963 15.008 -0.638 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.555 14.703 0.702 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.988 16.047 -1.220 1.00 0.00 C ATOM 0 H THR A 74 3.754 12.789 -0.713 1.00 0.00 H new ATOM 0 HA THR A 74 0.989 13.342 -1.635 1.00 0.00 H new ATOM 0 HB THR A 74 2.963 15.441 -0.666 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.523 15.528 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.998 16.943 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.294 16.305 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.019 15.630 -1.240 1.00 0.00 H new ATOM 1137 N CYS A 75 1.873 14.370 -3.810 1.00 0.00 N ATOM 1138 CA CYS A 75 2.336 14.813 -5.130 1.00 0.00 C ATOM 1139 C CYS A 75 2.820 16.253 -5.045 1.00 0.00 C ATOM 1140 O CYS A 75 2.015 17.158 -4.894 1.00 0.00 O ATOM 1141 CB CYS A 75 1.180 14.717 -6.131 1.00 0.00 C ATOM 1142 SG CYS A 75 1.483 15.395 -7.796 1.00 0.00 S ATOM 0 H CYS A 75 0.861 14.434 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 75 3.158 14.177 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.906 13.667 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.318 15.231 -5.706 1.00 0.00 H new ATOM 0 HG CYS A 75 0.411 15.995 -8.222 1.00 0.00 H new ATOM 1147 N GLU A 76 4.133 16.442 -5.108 1.00 0.00 N ATOM 1148 CA GLU A 76 4.778 17.773 -5.222 1.00 0.00 C ATOM 1149 C GLU A 76 4.235 18.585 -6.431 1.00 0.00 C ATOM 1150 O GLU A 76 4.159 19.816 -6.381 1.00 0.00 O ATOM 1151 CB GLU A 76 6.325 17.601 -5.322 1.00 0.00 C ATOM 1152 CG GLU A 76 6.861 16.850 -6.576 1.00 0.00 C ATOM 1153 CD GLU A 76 6.416 15.371 -6.677 1.00 0.00 C ATOM 1154 OE1 GLU A 76 6.995 14.514 -5.972 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.463 15.068 -7.437 1.00 0.00 O ATOM 0 H GLU A 76 4.802 15.672 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 76 4.534 18.342 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.781 18.591 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.667 17.070 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.529 17.378 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.950 16.889 -6.569 1.00 0.00 H new ATOM 1162 N GLU A 77 3.834 17.857 -7.494 1.00 0.00 N ATOM 1163 CA GLU A 77 3.339 18.435 -8.753 1.00 0.00 C ATOM 1164 C GLU A 77 1.966 19.162 -8.593 1.00 0.00 C ATOM 1165 O GLU A 77 1.760 20.207 -9.214 1.00 0.00 O ATOM 1166 CB GLU A 77 3.267 17.308 -9.828 1.00 0.00 C ATOM 1167 CG GLU A 77 2.746 17.731 -11.218 1.00 0.00 C ATOM 1168 CD GLU A 77 3.562 18.850 -11.893 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.793 18.687 -12.055 1.00 0.00 O ATOM 1170 OE2 GLU A 77 2.977 19.894 -12.266 1.00 0.00 O ATOM 0 H GLU A 77 3.847 16.837 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 77 4.039 19.208 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.264 16.885 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.626 16.512 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.741 16.858 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.712 18.062 -11.119 1.00 0.00 H new ATOM 1177 N CYS A 78 1.033 18.621 -7.756 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.341 19.214 -7.624 1.00 0.00 C ATOM 1179 C CYS A 78 -0.968 18.985 -6.230 1.00 0.00 C ATOM 1180 O CYS A 78 -2.199 19.003 -6.092 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.283 18.665 -8.733 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.888 16.968 -8.458 1.00 0.00 S ATOM 0 H CYS A 78 1.196 17.798 -7.176 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.225 20.291 -7.745 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.141 19.331 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.755 18.697 -9.686 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.460 16.895 -7.293 1.00 0.00 H new ATOM 1187 N SER A 79 -0.116 18.785 -5.205 1.00 0.00 N ATOM 1188 CA SER A 79 -0.524 18.727 -3.778 1.00 0.00 C ATOM 1189 C SER A 79 -1.525 17.582 -3.469 1.00 0.00 C ATOM 1190 O SER A 79 -2.273 17.656 -2.485 1.00 0.00 O ATOM 1191 CB SER A 79 -1.070 20.110 -3.332 1.00 0.00 C ATOM 1192 OG SER A 79 -0.121 21.135 -3.584 1.00 0.00 O ATOM 0 H SER A 79 0.887 18.657 -5.341 1.00 0.00 H new ATOM 0 HA SER A 79 0.365 18.490 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.996 20.328 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.310 20.085 -2.269 1.00 0.00 H new ATOM 0 HG SER A 79 -0.487 21.998 -3.297 1.00 0.00 H new ATOM 1198 N THR A 80 -1.503 16.504 -4.287 1.00 0.00 N ATOM 1199 CA THR A 80 -2.387 15.339 -4.088 1.00 0.00 C ATOM 1200 C THR A 80 -1.862 14.473 -2.933 1.00 0.00 C ATOM 1201 O THR A 80 -0.905 13.706 -3.120 1.00 0.00 O ATOM 1202 CB THR A 80 -2.497 14.465 -5.388 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.854 15.289 -6.501 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.529 13.321 -5.246 1.00 0.00 C ATOM 0 H THR A 80 -0.881 16.420 -5.091 1.00 0.00 H new ATOM 0 HA THR A 80 -3.381 15.717 -3.847 1.00 0.00 H new ATOM 0 HB THR A 80 -1.520 14.011 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.107 15.324 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.566 12.747 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.236 12.666 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.513 13.742 -5.040 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.439 14.647 -1.730 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.167 13.755 -0.595 1.00 0.00 C ATOM 1214 C LEU A 81 -2.757 12.376 -0.917 1.00 0.00 C ATOM 1215 O LEU A 81 -3.984 12.209 -0.944 1.00 0.00 O ATOM 1216 CB LEU A 81 -2.757 14.306 0.732 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.515 13.423 2.003 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.006 13.289 2.309 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.287 13.969 3.228 1.00 0.00 C ATOM 0 H LEU A 81 -3.096 15.398 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.089 13.683 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.334 15.294 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.831 14.438 0.603 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.903 12.427 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.868 12.671 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.503 12.824 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.581 14.277 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.096 13.332 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.954 14.984 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.355 13.976 3.011 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.870 11.428 -1.229 1.00 0.00 N ATOM 1232 CA PHE A 82 -2.254 10.072 -1.631 1.00 0.00 C ATOM 1233 C PHE A 82 -2.962 9.354 -0.478 1.00 0.00 C ATOM 1234 O PHE A 82 -4.021 8.754 -0.668 1.00 0.00 O ATOM 1235 CB PHE A 82 -1.006 9.272 -2.086 1.00 0.00 C ATOM 1236 CG PHE A 82 -0.216 9.917 -3.234 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.863 10.627 -4.247 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.171 9.784 -3.318 1.00 0.00 C ATOM 1239 CE1 PHE A 82 -0.154 11.184 -5.289 1.00 0.00 C ATOM 1240 CE2 PHE A 82 1.879 10.346 -4.365 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.216 11.043 -5.349 1.00 0.00 C ATOM 0 H PHE A 82 -0.862 11.580 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.946 10.140 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.341 9.145 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.322 8.276 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.936 10.742 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.700 9.234 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.673 11.733 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.953 10.238 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.769 11.479 -6.168 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.403 9.500 0.727 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.867 8.751 1.886 1.00 0.00 C ATOM 1253 C GLY A 83 -2.582 9.467 3.191 1.00 0.00 C ATOM 1254 O GLY A 83 -1.551 10.128 3.331 1.00 0.00 O ATOM 0 H GLY A 83 -1.627 10.133 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.939 8.578 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.386 7.773 1.899 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.520 9.347 4.139 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.356 9.842 5.514 1.00 0.00 C ATOM 1260 C GLU A 84 -2.281 9.011 6.230 1.00 0.00 C ATOM 1261 O GLU A 84 -1.377 9.545 6.881 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.708 9.747 6.256 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.833 10.608 5.638 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.193 10.417 6.330 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -7.416 11.027 7.399 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.032 9.635 5.822 1.00 0.00 O ATOM 0 H GLU A 84 -4.422 8.900 3.973 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.038 10.884 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.029 8.706 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.562 10.050 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.549 11.659 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.932 10.360 4.581 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.410 7.693 6.077 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.427 6.715 6.543 1.00 0.00 C ATOM 1275 C TYR A 85 -0.369 6.479 5.451 1.00 0.00 C ATOM 1276 O TYR A 85 -0.694 6.419 4.259 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.141 5.383 6.897 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.195 4.284 7.404 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.514 4.441 8.612 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.973 3.109 6.677 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.347 3.468 9.080 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.114 2.134 7.148 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.545 2.318 8.343 1.00 0.00 C ATOM 1284 OH TYR A 85 1.399 1.340 8.807 1.00 0.00 O ATOM 0 H TYR A 85 -3.215 7.268 5.617 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.931 7.097 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.896 5.578 7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.666 5.018 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.663 5.340 9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.480 2.962 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.863 3.606 10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.040 1.229 6.579 1.00 0.00 H new ATOM 0 HH TYR A 85 1.355 0.560 8.216 1.00 0.00 H new ATOM 1294 N TYR A 86 0.900 6.378 5.867 1.00 0.00 N ATOM 1295 CA TYR A 86 1.998 5.943 4.995 1.00 0.00 C ATOM 1296 C TYR A 86 2.860 4.923 5.749 1.00 0.00 C ATOM 1297 O TYR A 86 3.022 5.018 6.972 1.00 0.00 O ATOM 1298 CB TYR A 86 2.846 7.149 4.491 1.00 0.00 C ATOM 1299 CG TYR A 86 3.688 7.888 5.556 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.086 8.670 6.548 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.084 7.821 5.549 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.838 9.350 7.484 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.839 8.497 6.489 1.00 0.00 C ATOM 1304 CZ TYR A 86 5.210 9.260 7.452 1.00 0.00 C ATOM 1305 OH TYR A 86 5.962 9.941 8.384 1.00 0.00 O ATOM 0 H TYR A 86 1.194 6.596 6.819 1.00 0.00 H new ATOM 0 HA TYR A 86 1.580 5.470 4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.518 6.792 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.173 7.870 4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.009 8.743 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.582 7.230 4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.351 9.950 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.917 8.428 6.470 1.00 0.00 H new ATOM 0 HH TYR A 86 6.914 9.771 8.224 1.00 0.00 H new ATOM 1315 N CYS A 87 3.386 3.938 5.019 1.00 0.00 N ATOM 1316 CA CYS A 87 4.327 2.958 5.563 1.00 0.00 C ATOM 1317 C CYS A 87 5.347 2.593 4.485 1.00 0.00 C ATOM 1318 O CYS A 87 4.993 1.978 3.475 1.00 0.00 O ATOM 1319 CB CYS A 87 3.576 1.706 6.049 1.00 0.00 C ATOM 1320 SG CYS A 87 4.662 0.434 6.757 1.00 0.00 S ATOM 0 H CYS A 87 3.171 3.797 4.032 1.00 0.00 H new ATOM 0 HA CYS A 87 4.848 3.388 6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.841 2.002 6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.024 1.276 5.213 1.00 0.00 H new ATOM 0 HG CYS A 87 4.405 -0.714 6.203 1.00 0.00 H new ATOM 1325 N ASP A 88 6.617 2.965 4.725 1.00 0.00 N ATOM 1326 CA ASP A 88 7.726 2.785 3.763 1.00 0.00 C ATOM 1327 C ASP A 88 8.219 1.327 3.729 1.00 0.00 C ATOM 1328 O ASP A 88 8.679 0.855 2.683 1.00 0.00 O ATOM 1329 CB ASP A 88 8.902 3.748 4.104 1.00 0.00 C ATOM 1330 CG ASP A 88 9.543 3.495 5.489 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.874 3.746 6.516 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.710 3.061 5.555 1.00 0.00 O ATOM 0 H ASP A 88 6.908 3.403 5.599 1.00 0.00 H new ATOM 0 HA ASP A 88 7.345 3.028 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.670 3.652 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.539 4.775 4.065 1.00 0.00 H new ATOM 1337 N ILE A 89 8.085 0.621 4.874 1.00 0.00 N ATOM 1338 CA ILE A 89 8.513 -0.792 5.024 1.00 0.00 C ATOM 1339 C ILE A 89 7.720 -1.696 4.055 1.00 0.00 C ATOM 1340 O ILE A 89 8.280 -2.563 3.386 1.00 0.00 O ATOM 1341 CB ILE A 89 8.316 -1.292 6.514 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.158 -0.416 7.504 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.664 -2.801 6.677 1.00 0.00 C ATOM 1344 CD1 ILE A 89 8.960 -0.729 8.984 1.00 0.00 C ATOM 0 H ILE A 89 7.677 1.014 5.722 1.00 0.00 H new ATOM 0 HA ILE A 89 9.574 -0.851 4.781 1.00 0.00 H new ATOM 0 HB ILE A 89 7.260 -1.179 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.214 -0.538 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 89 8.911 0.632 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.514 -3.099 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.017 -3.395 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.705 -2.966 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.587 -0.068 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.914 -0.577 9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.237 -1.765 9.177 1.00 0.00 H new ATOM 1356 N CYS A 90 6.406 -1.453 3.977 1.00 0.00 N ATOM 1357 CA CYS A 90 5.490 -2.226 3.116 1.00 0.00 C ATOM 1358 C CYS A 90 5.189 -1.465 1.813 1.00 0.00 C ATOM 1359 O CYS A 90 4.440 -1.961 0.971 1.00 0.00 O ATOM 1360 CB CYS A 90 4.182 -2.476 3.868 1.00 0.00 C ATOM 1361 SG CYS A 90 4.393 -3.129 5.543 1.00 0.00 S ATOM 0 H CYS A 90 5.943 -0.715 4.508 1.00 0.00 H new ATOM 0 HA CYS A 90 5.967 -3.173 2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.625 -1.541 3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.575 -3.175 3.293 1.00 0.00 H new ATOM 0 HG CYS A 90 3.439 -2.684 6.306 1.00 0.00 H new ATOM 1366 N HIS A 91 5.715 -0.220 1.714 1.00 0.00 N ATOM 1367 CA HIS A 91 5.545 0.680 0.547 1.00 0.00 C ATOM 1368 C HIS A 91 4.047 1.057 0.299 1.00 0.00 C ATOM 1369 O HIS A 91 3.712 1.683 -0.714 1.00 0.00 O ATOM 1370 CB HIS A 91 6.218 0.062 -0.720 1.00 0.00 C ATOM 1371 CG HIS A 91 6.563 1.061 -1.793 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.746 1.751 -1.801 1.00 0.00 N ATOM 1373 CD2 HIS A 91 5.872 1.497 -2.875 1.00 0.00 C ATOM 1374 CE1 HIS A 91 7.774 2.562 -2.828 1.00 0.00 C ATOM 1375 NE2 HIS A 91 6.650 2.434 -3.505 1.00 0.00 N ATOM 0 H HIS A 91 6.279 0.194 2.456 1.00 0.00 H new ATOM 0 HA HIS A 91 6.053 1.618 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.128 -0.456 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.550 -0.689 -1.141 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.491 1.649 -1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 91 4.891 1.167 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.586 3.228 -3.080 1.00 0.00 H new ATOM 1384 N LEU A 92 3.154 0.724 1.258 1.00 0.00 N ATOM 1385 CA LEU A 92 1.704 0.964 1.122 1.00 0.00 C ATOM 1386 C LEU A 92 1.358 2.291 1.809 1.00 0.00 C ATOM 1387 O LEU A 92 1.786 2.537 2.949 1.00 0.00 O ATOM 1388 CB LEU A 92 0.876 -0.260 1.669 1.00 0.00 C ATOM 1389 CG LEU A 92 0.876 -0.562 3.222 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.172 0.275 3.997 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.652 -2.068 3.502 1.00 0.00 C ATOM 0 H LEU A 92 3.418 0.285 2.140 1.00 0.00 H new ATOM 0 HA LEU A 92 1.430 1.052 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.160 -0.118 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.238 -1.154 1.161 1.00 0.00 H new ATOM 0 HG LEU A 92 1.863 -0.272 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.126 0.025 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.040 1.336 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.169 0.054 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.657 -2.243 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.309 -2.376 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.449 -2.647 3.036 1.00 0.00 H new ATOM 1403 N PHE A 93 0.671 3.176 1.078 1.00 0.00 N ATOM 1404 CA PHE A 93 0.251 4.497 1.578 1.00 0.00 C ATOM 1405 C PHE A 93 -1.235 4.655 1.232 1.00 0.00 C ATOM 1406 O PHE A 93 -1.558 4.713 0.063 1.00 0.00 O ATOM 1407 CB PHE A 93 1.086 5.660 0.913 1.00 0.00 C ATOM 1408 CG PHE A 93 2.565 5.348 0.605 1.00 0.00 C ATOM 1409 CD1 PHE A 93 3.447 4.922 1.602 1.00 0.00 C ATOM 1410 CD2 PHE A 93 3.074 5.505 -0.690 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.775 4.651 1.316 1.00 0.00 C ATOM 1412 CE2 PHE A 93 4.401 5.232 -0.975 1.00 0.00 C ATOM 1413 CZ PHE A 93 5.253 4.810 0.030 1.00 0.00 C ATOM 0 H PHE A 93 0.387 2.997 0.115 1.00 0.00 H new ATOM 0 HA PHE A 93 0.420 4.559 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.595 5.945 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.049 6.528 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.087 4.802 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.420 5.845 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.438 4.315 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.771 5.349 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.290 4.605 -0.191 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.121 4.697 2.236 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.597 4.816 2.035 1.00 0.00 C ATOM 1425 C ASP A 94 -4.214 5.677 3.148 1.00 0.00 C ATOM 1426 O ASP A 94 -3.501 6.161 4.013 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.282 3.414 1.956 1.00 0.00 C ATOM 1428 CG ASP A 94 -3.942 2.481 3.130 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -2.929 1.751 3.032 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -4.683 2.469 4.139 1.00 0.00 O ATOM 0 H ASP A 94 -1.848 4.650 3.218 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.772 5.309 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.363 3.551 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.988 2.930 1.025 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.538 5.909 3.084 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.273 6.712 4.096 1.00 0.00 C ATOM 1437 C LYS A 95 -6.211 6.081 5.501 1.00 0.00 C ATOM 1438 O LYS A 95 -5.932 4.892 5.634 1.00 0.00 O ATOM 1439 CB LYS A 95 -7.752 6.870 3.675 1.00 0.00 C ATOM 1440 CG LYS A 95 -7.977 7.749 2.428 1.00 0.00 C ATOM 1441 CD LYS A 95 -9.442 7.715 1.934 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.472 8.084 3.026 1.00 0.00 C ATOM 1443 NZ LYS A 95 -10.180 9.382 3.688 1.00 0.00 N ATOM 0 H LYS A 95 -6.132 5.550 2.336 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.788 7.687 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.169 5.881 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.309 7.297 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.699 8.777 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.319 7.412 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.550 8.404 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.666 6.717 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.466 8.126 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.493 7.296 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.033 9.723 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.415 9.254 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.887 10.078 2.973 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.522 6.891 6.533 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.558 6.432 7.931 1.00 0.00 C ATOM 1459 C ASP A 96 -7.782 5.520 8.123 1.00 0.00 C ATOM 1460 O ASP A 96 -8.927 5.973 8.056 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.602 7.648 8.892 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.720 7.255 10.376 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.794 6.599 10.900 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -7.735 7.598 11.027 1.00 0.00 O ATOM 0 H ASP A 96 -6.754 7.878 6.419 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.657 5.865 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.700 8.244 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.447 8.282 8.624 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.512 4.232 8.344 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.531 3.160 8.346 1.00 0.00 C ATOM 1471 C LYS A 97 -8.259 2.189 9.502 1.00 0.00 C ATOM 1472 O LYS A 97 -8.411 0.967 9.354 1.00 0.00 O ATOM 1473 CB LYS A 97 -8.493 2.425 6.965 1.00 0.00 C ATOM 1474 CG LYS A 97 -8.995 3.256 5.758 1.00 0.00 C ATOM 1475 CD LYS A 97 -8.672 2.594 4.393 1.00 0.00 C ATOM 1476 CE LYS A 97 -9.340 3.303 3.206 1.00 0.00 C ATOM 1477 NZ LYS A 97 -10.825 3.240 3.280 1.00 0.00 N ATOM 0 H LYS A 97 -6.569 3.891 8.530 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.525 3.582 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.468 2.111 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.096 1.520 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.073 3.395 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.542 4.247 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.592 2.589 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.995 1.553 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.023 4.345 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.004 2.846 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.224 3.312 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.113 2.337 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.177 4.027 3.861 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.835 2.766 10.656 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.634 2.032 11.931 1.00 0.00 C ATOM 1493 C LYS A 98 -6.459 1.027 11.875 1.00 0.00 C ATOM 1494 O LYS A 98 -6.180 0.358 12.877 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.950 1.325 12.360 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.130 2.265 12.675 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.952 2.997 14.019 1.00 0.00 C ATOM 1498 CE LYS A 98 -11.084 3.991 14.297 1.00 0.00 C ATOM 1499 NZ LYS A 98 -11.021 4.519 15.688 1.00 0.00 N ATOM 0 H LYS A 98 -7.622 3.761 10.727 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.364 2.773 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.252 0.643 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.746 0.717 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.231 2.998 11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.055 1.689 12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.909 2.265 14.825 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.999 3.527 14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.024 4.819 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.045 3.503 14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.949 4.904 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.764 3.750 16.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.306 5.272 15.741 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.746 0.983 10.726 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.706 -0.024 10.443 1.00 0.00 C ATOM 1515 C GLN A 99 -3.446 0.216 11.290 1.00 0.00 C ATOM 1516 O GLN A 99 -3.103 1.361 11.615 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.330 -0.053 8.925 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.588 1.188 8.374 1.00 0.00 C ATOM 1519 CD GLN A 99 -4.473 2.427 8.198 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -4.639 3.240 9.110 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.037 2.586 7.019 1.00 0.00 N ATOM 0 H GLN A 99 -5.880 1.651 9.967 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.126 -0.993 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.709 -0.930 8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.246 -0.187 8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.768 1.435 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.144 0.934 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.882 1.897 6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.629 3.398 6.842 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.757 -0.885 11.607 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.581 -0.903 12.492 1.00 0.00 C ATOM 1532 C TYR A 100 -0.423 -1.640 11.805 1.00 0.00 C ATOM 1533 O TYR A 100 -0.628 -2.734 11.256 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.947 -1.603 13.840 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.436 -3.071 13.715 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.744 -3.382 13.313 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.578 -4.145 13.985 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -4.163 -4.694 13.182 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.998 -5.455 13.857 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.289 -5.724 13.458 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.704 -7.035 13.323 1.00 0.00 O ATOM 0 H TYR A 100 -3.004 -1.808 11.250 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.269 0.121 12.700 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.072 -1.583 14.490 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.724 -1.020 14.334 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.437 -2.581 13.102 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.565 -3.944 14.301 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.172 -4.911 12.864 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.317 -6.266 14.069 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.923 -7.627 13.318 1.00 0.00 H new ATOM 1551 N HIS A 101 0.791 -1.049 11.808 1.00 0.00 N ATOM 1552 CA HIS A 101 2.001 -1.758 11.353 1.00 0.00 C ATOM 1553 C HIS A 101 2.603 -2.521 12.530 1.00 0.00 C ATOM 1554 O HIS A 101 3.194 -1.925 13.436 1.00 0.00 O ATOM 1555 CB HIS A 101 3.051 -0.828 10.668 1.00 0.00 C ATOM 1556 CG HIS A 101 4.303 -1.568 10.227 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.359 -2.301 9.035 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.450 -1.774 10.932 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.530 -2.934 9.108 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.212 -2.641 10.218 1.00 0.00 N ATOM 0 H HIS A 101 0.956 -0.091 12.118 1.00 0.00 H new ATOM 0 HA HIS A 101 1.702 -2.459 10.574 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.594 -0.350 9.801 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.330 -0.033 11.360 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.706 -1.330 11.883 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.889 -3.613 8.349 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.130 -3.000 10.479 1.00 0.00 H new ATOM 1568 N CYS A 102 2.405 -3.843 12.515 1.00 0.00 N ATOM 1569 CA CYS A 102 3.052 -4.755 13.451 1.00 0.00 C ATOM 1570 C CYS A 102 4.430 -5.133 12.895 1.00 0.00 C ATOM 1571 O CYS A 102 4.517 -5.690 11.795 1.00 0.00 O ATOM 1572 CB CYS A 102 2.197 -6.012 13.662 1.00 0.00 C ATOM 1573 SG CYS A 102 2.896 -7.131 14.899 1.00 0.00 S ATOM 0 H CYS A 102 1.788 -4.308 11.849 1.00 0.00 H new ATOM 0 HA CYS A 102 3.166 -4.264 14.418 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.194 -5.717 13.970 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.096 -6.541 12.715 1.00 0.00 H new ATOM 0 HG CYS A 102 2.764 -8.360 14.496 1.00 0.00 H new ATOM 1578 N GLU A 103 5.489 -4.818 13.654 1.00 0.00 N ATOM 1579 CA GLU A 103 6.882 -5.041 13.232 1.00 0.00 C ATOM 1580 C GLU A 103 7.259 -6.538 13.269 1.00 0.00 C ATOM 1581 O GLU A 103 8.037 -7.005 12.431 1.00 0.00 O ATOM 1582 CB GLU A 103 7.837 -4.236 14.140 1.00 0.00 C ATOM 1583 CG GLU A 103 7.523 -2.730 14.221 1.00 0.00 C ATOM 1584 CD GLU A 103 8.510 -1.976 15.124 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.324 -1.981 16.361 1.00 0.00 O ATOM 1586 OE2 GLU A 103 9.487 -1.391 14.603 1.00 0.00 O ATOM 0 H GLU A 103 5.405 -4.400 14.581 1.00 0.00 H new ATOM 0 HA GLU A 103 6.978 -4.701 12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.803 -4.656 15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.857 -4.363 13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.550 -2.301 13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.510 -2.592 14.599 1.00 0.00 H new ATOM 1593 N ASN A 104 6.705 -7.267 14.261 1.00 0.00 N ATOM 1594 CA ASN A 104 6.978 -8.712 14.458 1.00 0.00 C ATOM 1595 C ASN A 104 6.448 -9.542 13.275 1.00 0.00 C ATOM 1596 O ASN A 104 7.149 -10.406 12.743 1.00 0.00 O ATOM 1597 CB ASN A 104 6.324 -9.223 15.765 1.00 0.00 C ATOM 1598 CG ASN A 104 6.703 -8.403 16.992 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.031 -7.420 17.313 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.759 -8.800 17.691 1.00 0.00 N ATOM 0 H ASN A 104 6.059 -6.876 14.946 1.00 0.00 H new ATOM 0 HA ASN A 104 8.060 -8.831 14.523 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.240 -9.210 15.649 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.615 -10.261 15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.040 -8.287 18.526 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.289 -9.619 17.393 1.00 0.00 H new ATOM 1607 N CYS A 105 5.187 -9.270 12.891 1.00 0.00 N ATOM 1608 CA CYS A 105 4.535 -9.923 11.737 1.00 0.00 C ATOM 1609 C CYS A 105 5.007 -9.272 10.408 1.00 0.00 C ATOM 1610 O CYS A 105 4.881 -9.867 9.333 1.00 0.00 O ATOM 1611 CB CYS A 105 2.997 -9.858 11.899 1.00 0.00 C ATOM 1612 SG CYS A 105 2.371 -10.613 13.452 1.00 0.00 S ATOM 0 H CYS A 105 4.592 -8.594 13.369 1.00 0.00 H new ATOM 0 HA CYS A 105 4.824 -10.973 11.702 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.683 -8.815 11.863 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.532 -10.360 11.051 1.00 0.00 H new ATOM 0 HG CYS A 105 1.428 -9.868 13.947 1.00 0.00 H new ATOM 1617 N GLY A 106 5.533 -8.029 10.512 1.00 0.00 N ATOM 1618 CA GLY A 106 6.260 -7.368 9.412 1.00 0.00 C ATOM 1619 C GLY A 106 5.377 -6.553 8.470 1.00 0.00 C ATOM 1620 O GLY A 106 5.885 -5.901 7.551 1.00 0.00 O ATOM 0 H GLY A 106 5.464 -7.462 11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.019 -6.711 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.785 -8.127 8.832 1.00 0.00 H new ATOM 1624 N ILE A 107 4.057 -6.560 8.714 1.00 0.00 N ATOM 1625 CA ILE A 107 3.051 -5.971 7.798 1.00 0.00 C ATOM 1626 C ILE A 107 2.085 -5.044 8.552 1.00 0.00 C ATOM 1627 O ILE A 107 2.078 -4.995 9.791 1.00 0.00 O ATOM 1628 CB ILE A 107 2.218 -7.103 7.071 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.603 -8.101 8.121 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.083 -7.845 6.021 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.704 -9.185 7.535 1.00 0.00 C ATOM 0 H ILE A 107 3.650 -6.974 9.553 1.00 0.00 H new ATOM 0 HA ILE A 107 3.596 -5.388 7.055 1.00 0.00 H new ATOM 0 HB ILE A 107 1.393 -6.630 6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.418 -8.581 8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.028 -7.529 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.485 -8.617 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.434 -7.135 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.939 -8.305 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.330 -9.821 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.136 -8.721 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.275 -9.789 6.830 1.00 0.00 H new ATOM 1643 N CYS A 108 1.281 -4.298 7.771 1.00 0.00 N ATOM 1644 CA CYS A 108 0.100 -3.578 8.264 1.00 0.00 C ATOM 1645 C CYS A 108 -1.108 -3.958 7.412 1.00 0.00 C ATOM 1646 O CYS A 108 -1.048 -3.912 6.178 1.00 0.00 O ATOM 1647 CB CYS A 108 0.315 -2.043 8.277 1.00 0.00 C ATOM 1648 SG CYS A 108 1.337 -1.400 6.942 1.00 0.00 S ATOM 0 H CYS A 108 1.438 -4.179 6.770 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.077 -3.871 9.299 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.659 -1.556 8.234 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.770 -1.764 9.228 1.00 0.00 H new ATOM 0 HG CYS A 108 2.412 -0.864 7.438 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.185 -4.361 8.095 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.463 -4.744 7.481 1.00 0.00 C ATOM 1655 C ARG A 109 -4.551 -3.808 8.004 1.00 0.00 C ATOM 1656 O ARG A 109 -4.448 -3.318 9.142 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.813 -6.218 7.834 1.00 0.00 C ATOM 1658 CG ARG A 109 -2.819 -7.268 7.290 1.00 0.00 C ATOM 1659 CD ARG A 109 -2.748 -7.276 5.750 1.00 0.00 C ATOM 1660 NE ARG A 109 -1.881 -8.364 5.244 1.00 0.00 N ATOM 1661 CZ ARG A 109 -2.316 -9.475 4.618 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -3.616 -9.714 4.484 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -1.441 -10.360 4.151 1.00 0.00 N ATOM 0 H ARG A 109 -2.194 -4.432 9.113 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.389 -4.663 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.865 -6.315 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.806 -6.444 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.827 -7.067 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.113 -8.257 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.752 -7.391 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.369 -6.316 5.399 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.875 -8.265 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.297 -9.053 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.933 -10.559 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.441 -10.198 4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.770 -11.201 3.677 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.586 -3.562 7.176 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.734 -2.735 7.568 1.00 0.00 C ATOM 1679 C ILE A 110 -7.525 -3.489 8.664 1.00 0.00 C ATOM 1680 O ILE A 110 -8.251 -4.449 8.374 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.655 -2.393 6.327 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -6.814 -1.755 5.163 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -8.838 -1.470 6.731 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.160 -0.418 5.490 1.00 0.00 C ATOM 0 H ILE A 110 -5.646 -3.929 6.226 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.379 -1.782 7.960 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.080 -3.329 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.036 -2.460 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.464 -1.621 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.449 -1.256 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.447 -1.968 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.449 -0.537 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.604 -0.063 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.929 0.309 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.479 -0.542 6.332 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.312 -3.065 9.917 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.869 -3.719 11.097 1.00 0.00 C ATOM 1698 C GLY A 111 -7.749 -2.810 12.293 1.00 0.00 C ATOM 1699 O GLY A 111 -6.665 -2.262 12.498 1.00 0.00 O ATOM 0 H GLY A 111 -6.741 -2.249 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.915 -3.970 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.344 -4.655 11.287 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.826 -2.625 13.121 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.772 -1.723 14.277 1.00 0.00 C ATOM 1705 C PRO A 112 -7.778 -2.244 15.318 1.00 0.00 C ATOM 1706 O PRO A 112 -7.952 -3.328 15.857 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.229 -1.685 14.790 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.820 -2.986 14.345 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.140 -3.318 13.030 1.00 0.00 C ATOM 0 HA PRO A 112 -8.416 -0.721 14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.265 -1.584 15.875 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.774 -0.838 14.373 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.646 -3.768 15.084 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.899 -2.902 14.217 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.016 -4.394 12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.721 -2.963 12.179 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.708 -1.469 15.531 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.602 -1.816 16.444 1.00 0.00 C ATOM 1719 C LYS A 113 -6.082 -1.954 17.908 1.00 0.00 C ATOM 1720 O LYS A 113 -5.426 -2.593 18.727 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.483 -0.752 16.325 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.898 0.681 16.749 1.00 0.00 C ATOM 1723 CD LYS A 113 -3.932 1.778 16.232 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.932 1.866 14.695 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.128 2.998 14.178 1.00 0.00 N ATOM 0 H LYS A 113 -6.580 -0.569 15.069 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.208 -2.789 16.151 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.637 -1.066 16.936 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.137 -0.724 15.292 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.902 0.886 16.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.945 0.731 17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.220 2.742 16.651 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.922 1.567 16.583 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.543 0.934 14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.959 1.966 14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.896 2.831 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.673 3.879 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.249 3.079 14.728 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.206 -1.290 18.215 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.900 -1.390 19.509 1.00 0.00 C ATOM 1741 C GLU A 114 -8.480 -2.807 19.734 1.00 0.00 C ATOM 1742 O GLU A 114 -8.514 -3.285 20.870 1.00 0.00 O ATOM 1743 CB GLU A 114 -9.022 -0.307 19.626 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.959 -0.152 18.387 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.558 1.006 17.433 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.568 0.869 16.681 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.236 2.059 17.436 1.00 0.00 O ATOM 0 H GLU A 114 -7.667 -0.658 17.561 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.163 -1.206 20.291 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.637 -0.543 20.494 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.550 0.656 19.822 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.961 -1.087 17.826 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.979 0.013 18.734 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.930 -3.468 18.647 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.507 -4.833 18.715 1.00 0.00 C ATOM 1756 C ASP A 115 -8.416 -5.893 18.494 1.00 0.00 C ATOM 1757 O ASP A 115 -8.264 -6.835 19.279 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.621 -4.989 17.650 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.338 -6.353 17.712 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -12.322 -6.474 18.469 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -10.910 -7.313 17.027 1.00 0.00 O ATOM 0 H ASP A 115 -8.906 -3.078 17.705 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.936 -4.980 19.706 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.355 -4.194 17.783 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.187 -4.859 16.659 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.653 -5.704 17.419 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.629 -6.647 16.972 1.00 0.00 C ATOM 1768 C PHE A 116 -5.328 -6.386 17.733 1.00 0.00 C ATOM 1769 O PHE A 116 -4.851 -5.250 17.813 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.400 -6.523 15.442 1.00 0.00 C ATOM 1771 CG PHE A 116 -7.526 -7.098 14.583 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -8.718 -6.405 14.402 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -7.387 -8.341 13.960 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -9.735 -6.930 13.629 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -8.404 -8.867 13.188 1.00 0.00 C ATOM 1776 CZ PHE A 116 -9.578 -8.160 13.020 1.00 0.00 C ATOM 0 H PHE A 116 -7.730 -4.879 16.825 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.967 -7.663 17.179 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -6.270 -5.470 15.191 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.469 -7.029 15.185 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.850 -5.442 14.873 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -6.470 -8.899 14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.654 -6.378 13.500 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.281 -9.831 12.716 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.373 -8.568 12.413 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.757 -7.464 18.268 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.602 -7.422 19.172 1.00 0.00 C ATOM 1788 C PHE A 117 -2.512 -8.369 18.645 1.00 0.00 C ATOM 1789 O PHE A 117 -2.794 -9.275 17.844 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.040 -7.848 20.611 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.371 -9.336 20.743 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.539 -9.858 20.196 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.487 -10.214 21.371 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.812 -11.203 20.276 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.762 -11.557 21.442 1.00 0.00 C ATOM 1796 CZ PHE A 117 -4.924 -12.055 20.897 1.00 0.00 C ATOM 0 H PHE A 117 -5.089 -8.411 18.083 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.206 -6.407 19.215 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.243 -7.600 21.311 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.913 -7.264 20.902 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.239 -9.199 19.703 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.575 -9.832 21.807 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.725 -11.593 19.851 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.065 -12.225 21.927 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.140 -13.112 20.956 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.277 -8.166 19.111 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.165 -9.075 18.832 1.00 0.00 C ATOM 1808 C HIS A 118 0.062 -9.984 20.050 1.00 0.00 C ATOM 1809 O HIS A 118 0.335 -9.492 21.151 1.00 0.00 O ATOM 1810 CB HIS A 118 1.125 -8.278 18.489 1.00 0.00 C ATOM 1811 CG HIS A 118 2.319 -9.157 18.197 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.399 -9.879 17.023 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.374 -9.467 18.987 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.484 -10.610 17.159 1.00 0.00 C ATOM 1815 NE2 HIS A 118 4.102 -10.398 18.319 1.00 0.00 N ATOM 0 H HIS A 118 -1.021 -7.367 19.692 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.412 -9.690 17.967 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.931 -7.644 17.624 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.366 -7.617 19.321 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.594 -9.054 19.960 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.835 -11.306 16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.958 -10.848 18.643 1.00 0.00 H new ATOM 1823 N CYS A 119 -0.092 -11.301 19.848 1.00 0.00 N ATOM 1824 CA CYS A 119 0.329 -12.319 20.826 1.00 0.00 C ATOM 1825 C CYS A 119 1.871 -12.345 20.916 1.00 0.00 C ATOM 1826 O CYS A 119 2.540 -12.379 19.879 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.145 -13.718 20.394 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.878 -14.163 20.671 1.00 0.00 S ATOM 0 H CYS A 119 -0.511 -11.691 19.004 1.00 0.00 H new ATOM 0 HA CYS A 119 -0.111 -12.064 21.790 1.00 0.00 H new ATOM 0 HB2 CYS A 119 0.059 -13.823 19.328 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.473 -14.452 20.911 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.623 -13.104 20.550 1.00 0.00 H new ATOM 1833 N LEU A 120 2.417 -12.347 22.140 1.00 0.00 N ATOM 1834 CA LEU A 120 3.873 -12.467 22.364 1.00 0.00 C ATOM 1835 C LEU A 120 4.300 -13.950 22.320 1.00 0.00 C ATOM 1836 O LEU A 120 5.221 -14.320 21.577 1.00 0.00 O ATOM 1837 CB LEU A 120 4.268 -11.822 23.724 1.00 0.00 C ATOM 1838 CG LEU A 120 5.763 -11.960 24.153 1.00 0.00 C ATOM 1839 CD1 LEU A 120 6.712 -11.322 23.113 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.988 -11.363 25.560 1.00 0.00 C ATOM 0 H LEU A 120 1.872 -12.267 22.998 1.00 0.00 H new ATOM 0 HA LEU A 120 4.394 -11.934 21.569 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.022 -10.761 23.683 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.647 -12.263 24.504 1.00 0.00 H new ATOM 0 HG LEU A 120 6.000 -13.023 24.197 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.744 -11.436 23.444 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.583 -11.817 22.150 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.479 -10.262 23.010 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.037 -11.471 25.837 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.721 -10.306 25.554 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.365 -11.890 26.283 1.00 0.00 H new ATOM 1852 N LYS A 121 3.599 -14.789 23.110 1.00 0.00 N ATOM 1853 CA LYS A 121 3.952 -16.215 23.310 1.00 0.00 C ATOM 1854 C LYS A 121 3.723 -17.044 22.025 1.00 0.00 C ATOM 1855 O LYS A 121 4.524 -17.920 21.677 1.00 0.00 O ATOM 1856 CB LYS A 121 3.130 -16.806 24.492 1.00 0.00 C ATOM 1857 CG LYS A 121 3.235 -16.008 25.815 1.00 0.00 C ATOM 1858 CD LYS A 121 4.670 -15.945 26.381 1.00 0.00 C ATOM 1859 CE LYS A 121 4.765 -15.104 27.665 1.00 0.00 C ATOM 1860 NZ LYS A 121 6.137 -15.115 28.225 1.00 0.00 N ATOM 0 H LYS A 121 2.770 -14.499 23.629 1.00 0.00 H new ATOM 0 HA LYS A 121 5.014 -16.268 23.550 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.082 -16.859 24.197 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.462 -17.828 24.673 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.873 -14.993 25.648 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.579 -16.462 26.558 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.020 -16.957 26.587 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.336 -15.525 25.627 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.467 -14.078 27.451 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.066 -15.491 28.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.164 -14.538 29.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.411 -16.092 28.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.800 -14.723 27.527 1.00 0.00 H new ATOM 1874 N CYS A 122 2.614 -16.746 21.337 1.00 0.00 N ATOM 1875 CA CYS A 122 2.232 -17.378 20.061 1.00 0.00 C ATOM 1876 C CYS A 122 2.099 -16.271 18.989 1.00 0.00 C ATOM 1877 O CYS A 122 1.006 -15.797 18.720 1.00 0.00 O ATOM 1878 CB CYS A 122 0.924 -18.198 20.273 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.181 -17.528 21.570 1.00 0.00 S ATOM 0 H CYS A 122 1.943 -16.047 21.654 1.00 0.00 H new ATOM 0 HA CYS A 122 2.989 -18.080 19.711 1.00 0.00 H new ATOM 0 HB2 CYS A 122 0.377 -18.238 19.331 1.00 0.00 H new ATOM 0 HB3 CYS A 122 1.189 -19.223 20.532 1.00 0.00 H new ATOM 0 HG CYS A 122 -0.708 -16.414 21.158 1.00 0.00 H new ATOM 1884 N ASN A 123 3.238 -15.949 18.335 1.00 0.00 N ATOM 1885 CA ASN A 123 3.535 -14.631 17.685 1.00 0.00 C ATOM 1886 C ASN A 123 2.633 -14.190 16.478 1.00 0.00 C ATOM 1887 O ASN A 123 2.999 -13.244 15.767 1.00 0.00 O ATOM 1888 CB ASN A 123 5.037 -14.615 17.245 1.00 0.00 C ATOM 1889 CG ASN A 123 5.362 -15.582 16.091 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.780 -16.662 15.973 1.00 0.00 O ATOM 1891 ND2 ASN A 123 6.290 -15.198 15.224 1.00 0.00 N ATOM 0 H ASN A 123 4.006 -16.613 18.236 1.00 0.00 H new ATOM 0 HA ASN A 123 3.301 -13.896 18.455 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.306 -13.603 16.944 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.659 -14.868 18.103 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.535 -15.801 14.439 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.758 -14.300 15.342 1.00 0.00 H new ATOM 1898 N LEU A 124 1.489 -14.837 16.232 1.00 0.00 N ATOM 1899 CA LEU A 124 0.493 -14.340 15.247 1.00 0.00 C ATOM 1900 C LEU A 124 -0.364 -13.198 15.871 1.00 0.00 C ATOM 1901 O LEU A 124 -0.550 -13.145 17.096 1.00 0.00 O ATOM 1902 CB LEU A 124 -0.418 -15.505 14.760 1.00 0.00 C ATOM 1903 CG LEU A 124 -1.469 -15.151 13.653 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -0.782 -14.682 12.350 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -2.430 -16.329 13.375 1.00 0.00 C ATOM 0 H LEU A 124 1.220 -15.705 16.695 1.00 0.00 H new ATOM 0 HA LEU A 124 1.027 -13.939 14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.221 -16.303 14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.951 -15.905 15.622 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.066 -14.323 14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.540 -14.445 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.183 -13.794 12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.137 -15.476 11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.143 -16.042 12.602 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.858 -17.194 13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.968 -16.583 14.288 1.00 0.00 H new ATOM 1917 N CYS A 125 -0.854 -12.271 15.019 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.857 -11.253 15.411 1.00 0.00 C ATOM 1919 C CYS A 125 -3.279 -11.838 15.269 1.00 0.00 C ATOM 1920 O CYS A 125 -3.598 -12.462 14.252 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.703 -9.956 14.568 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.556 -8.729 15.280 1.00 0.00 S ATOM 0 H CYS A 125 -0.567 -12.206 14.042 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.689 -10.984 16.454 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.356 -10.224 13.570 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.683 -9.494 14.451 1.00 0.00 H new ATOM 0 HG CYS A 125 0.432 -9.344 15.860 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.113 -11.672 16.315 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.515 -12.153 16.326 1.00 0.00 C ATOM 1929 C LEU A 126 -6.471 -10.982 16.625 1.00 0.00 C ATOM 1930 O LEU A 126 -6.037 -9.843 16.820 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.741 -13.286 17.383 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.076 -14.679 17.130 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -3.548 -14.644 17.342 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -5.728 -15.758 18.022 1.00 0.00 C ATOM 0 H LEU A 126 -3.837 -11.201 17.177 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.722 -12.566 15.339 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.386 -12.918 18.346 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.815 -13.443 17.478 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.246 -14.935 16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.132 -15.634 17.155 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.101 -13.927 16.654 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.330 -14.347 18.368 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.254 -16.721 17.834 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.600 -15.489 19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.791 -15.826 17.792 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.776 -11.301 16.676 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.846 -10.354 17.046 1.00 0.00 C ATOM 1948 C ALA A 127 -9.188 -10.513 18.535 1.00 0.00 C ATOM 1949 O ALA A 127 -8.832 -11.529 19.149 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.078 -10.591 16.163 1.00 0.00 C ATOM 0 H ALA A 127 -8.123 -12.235 16.459 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.504 -9.332 16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.865 -9.889 16.440 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.810 -10.441 15.117 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.436 -11.611 16.303 1.00 0.00 H new ATOM 1956 N MET A 128 -9.870 -9.512 19.116 1.00 0.00 N ATOM 1957 CA MET A 128 -10.198 -9.504 20.564 1.00 0.00 C ATOM 1958 C MET A 128 -11.207 -10.618 20.959 1.00 0.00 C ATOM 1959 O MET A 128 -11.245 -11.039 22.121 1.00 0.00 O ATOM 1960 CB MET A 128 -10.693 -8.095 20.992 1.00 0.00 C ATOM 1961 CG MET A 128 -10.855 -7.872 22.512 1.00 0.00 C ATOM 1962 SD MET A 128 -10.463 -6.179 23.021 1.00 0.00 S ATOM 1963 CE MET A 128 -8.696 -6.088 22.672 1.00 0.00 C ATOM 0 H MET A 128 -10.208 -8.694 18.610 1.00 0.00 H new ATOM 0 HA MET A 128 -9.282 -9.730 21.110 1.00 0.00 H new ATOM 0 HB2 MET A 128 -9.993 -7.353 20.608 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.653 -7.907 20.512 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.880 -8.105 22.801 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.207 -8.566 23.047 1.00 0.00 H new ATOM 0 HE1 MET A 128 -8.238 -5.331 23.308 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.236 -7.056 22.871 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.545 -5.822 21.626 1.00 0.00 H new