USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=35 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 -82:sc= 0.0486! USER MOD Set 1.2: A 122 CYS SG : rot 102:sc= -0.073 USER MOD Set 2.1: A 87 CYS SG : rot -126:sc= 0.524 USER MOD Set 2.2: A 90 CYS SG : rot 152:sc= 0.348 USER MOD Set 2.3: A 101 HIS : no HD1:sc= -0.0121 X(o=-1.2,f=-1.2) USER MOD Set 2.4: A 108 CYS SG : rot -133:sc= -2.02 USER MOD Set 3.1: A 100 TYR OH : rot 175:sc= 1.37 USER MOD Set 3.2: A 102 CYS SG : rot -145:sc= 0.534 USER MOD Set 3.3: A 105 CYS SG : rot 130:sc= 0.38 USER MOD Set 3.4: A 118 HIS : no HD1:sc= -0.239 K(o=3.4,f=2.7) USER MOD Set 3.5: A 125 CYS SG : rot 20:sc= 1.33 USER MOD Set 4.1: A 62 CYS SG : rot -104:sc= -0.525! USER MOD Set 4.2: A 64 ASN : amide:sc= -3.76! C(o=-8.3!,f=-17!) USER MOD Set 4.3: A 65 CYS SG : rot -160:sc= -0.696 USER MOD Set 4.4: A 75 CYS SG : rot -141:sc= -3.42! USER MOD Set 4.5: A 78 CYS SG : rot -145:sc= -0.229! USER MOD Set 4.6: A 80 THR OG1 : rot 97:sc= 0.37! USER MOD Set 5.1: A 20 CYS SG : rot -112:sc= -1.03 USER MOD Set 5.2: A 22 HIS : no HD1:sc= 0.00188 K(o=-4.1,f=-5.5) USER MOD Set 5.3: A 40 CYS SG : rot 164:sc= -3.16! USER MOD Set 5.4: A 43 CYS SG : rot 86:sc= 0.0423 USER MOD Set 6.1: A 36 LYS NZ :NH3+ -120:sc= 0.944 (180deg=0.354) USER MOD Set 6.2: A 38 TYR OH : rot 30:sc= 0.823 USER MOD Set 7.1: A 33 CYS SG : rot 63:sc= -1.06 USER MOD Set 7.2: A 34 CYS SG : rot 169:sc= 0.351 USER MOD Set 7.3: A 44 HIS : no HD1:sc= -1.83 K(o=-2.3,f=-4.4!) USER MOD Set 7.4: A 50 HIS : +bothHN:sc= 0.212 K(o=-2.3,f=-3.8) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 100:sc= -3.52! USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0.197 (180deg=0.16) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 46 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.618 K(o=0.62,f=-0.044) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.9!) USER MOD Single : A 67 LYS NZ :NH3+ -124:sc= 0.0556 (180deg=-0.0353) USER MOD Single : A 69 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.4!) USER MOD Single : A 70 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.00041) USER MOD Single : A 72 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 73 GLN : amide:sc= -3.29! C(o=-3.3!,f=-7.2!) 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 85 TYR OH : rot 151:sc=-0.000428 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.981 K(o=-0.98,f=-3) USER MOD Single : A 95 LYS NZ :NH3+ -123:sc= 0.136 (180deg=-0.0302) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.089 (180deg=-0.409) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.998 K(o=-1,f=-2.3) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 153:sc= 0.348 (180deg=0.116) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0979 K(o=-0.098,f=-1.8!) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.294 8.530 -9.086 1.00 0.00 N ATOM 232 CA ARG A 18 -8.249 8.045 -8.164 1.00 0.00 C ATOM 233 C ARG A 18 -8.842 7.003 -7.198 1.00 0.00 C ATOM 234 O ARG A 18 -10.061 6.964 -6.985 1.00 0.00 O ATOM 235 CB ARG A 18 -7.559 9.213 -7.379 1.00 0.00 C ATOM 236 CG ARG A 18 -8.489 10.103 -6.510 1.00 0.00 C ATOM 237 CD ARG A 18 -9.344 11.091 -7.333 1.00 0.00 C ATOM 238 NE ARG A 18 -10.221 11.926 -6.486 1.00 0.00 N ATOM 239 CZ ARG A 18 -11.435 12.387 -6.841 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.999 12.018 -7.990 1.00 0.00 N ATOM 241 NH2 ARG A 18 -12.097 13.200 -6.029 1.00 0.00 N ATOM 0 HA ARG A 18 -7.471 7.572 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.793 8.785 -6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.047 9.853 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.150 9.462 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.881 10.665 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.687 11.736 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.955 10.533 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.879 12.173 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.510 11.377 -8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.919 12.376 -8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.686 13.475 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.017 13.550 -6.297 1.00 0.00 H new ATOM 255 N GLY A 19 -7.964 6.162 -6.626 1.00 0.00 N ATOM 256 CA GLY A 19 -8.377 5.084 -5.729 1.00 0.00 C ATOM 257 C GLY A 19 -8.750 3.801 -6.464 1.00 0.00 C ATOM 258 O GLY A 19 -8.627 3.703 -7.694 1.00 0.00 O ATOM 0 H GLY A 19 -6.956 6.214 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.568 4.872 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.230 5.418 -5.139 1.00 0.00 H new ATOM 262 N CYS A 20 -9.170 2.808 -5.680 1.00 0.00 N ATOM 263 CA CYS A 20 -9.658 1.510 -6.159 1.00 0.00 C ATOM 264 C CYS A 20 -10.496 0.864 -5.046 1.00 0.00 C ATOM 265 O CYS A 20 -10.404 1.276 -3.878 1.00 0.00 O ATOM 266 CB CYS A 20 -8.483 0.582 -6.562 1.00 0.00 C ATOM 267 SG CYS A 20 -8.974 -1.064 -7.198 1.00 0.00 S ATOM 0 H CYS A 20 -9.181 2.885 -4.663 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.270 1.661 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.888 1.086 -7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.838 0.441 -5.695 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.614 -1.982 -6.350 1.00 0.00 H new ATOM 272 N GLU A 21 -11.297 -0.157 -5.417 1.00 0.00 N ATOM 273 CA GLU A 21 -12.129 -0.949 -4.476 1.00 0.00 C ATOM 274 C GLU A 21 -11.296 -1.540 -3.303 1.00 0.00 C ATOM 275 O GLU A 21 -11.818 -1.753 -2.205 1.00 0.00 O ATOM 276 CB GLU A 21 -12.849 -2.088 -5.257 1.00 0.00 C ATOM 277 CG GLU A 21 -11.893 -3.065 -5.981 1.00 0.00 C ATOM 278 CD GLU A 21 -12.620 -4.155 -6.794 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.173 -5.094 -6.180 1.00 0.00 O ATOM 280 OE2 GLU A 21 -12.626 -4.089 -8.045 1.00 0.00 O ATOM 0 H GLU A 21 -11.388 -0.460 -6.387 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.865 -0.278 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.470 -2.653 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.519 -1.642 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.245 -2.497 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.249 -3.543 -5.243 1.00 0.00 H new ATOM 287 N HIS A 22 -9.997 -1.784 -3.566 1.00 0.00 N ATOM 288 CA HIS A 22 -9.058 -2.356 -2.589 1.00 0.00 C ATOM 289 C HIS A 22 -8.449 -1.265 -1.688 1.00 0.00 C ATOM 290 O HIS A 22 -8.446 -1.400 -0.467 1.00 0.00 O ATOM 291 CB HIS A 22 -7.937 -3.131 -3.333 1.00 0.00 C ATOM 292 CG HIS A 22 -8.443 -4.281 -4.167 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.465 -4.225 -5.546 1.00 0.00 N ATOM 294 CD2 HIS A 22 -8.947 -5.477 -3.768 1.00 0.00 C ATOM 295 CE1 HIS A 22 -8.973 -5.375 -5.942 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.283 -6.163 -4.905 1.00 0.00 N ATOM 0 H HIS A 22 -9.569 -1.587 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.609 -3.043 -1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.395 -2.438 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.224 -3.511 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.061 -5.821 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.121 -5.648 -6.976 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.692 -7.096 -4.953 1.00 0.00 H new ATOM 304 N TYR A 23 -7.918 -0.187 -2.309 1.00 0.00 N ATOM 305 CA TYR A 23 -7.226 0.911 -1.587 1.00 0.00 C ATOM 306 C TYR A 23 -7.708 2.276 -2.093 1.00 0.00 C ATOM 307 O TYR A 23 -7.635 2.550 -3.296 1.00 0.00 O ATOM 308 CB TYR A 23 -5.689 0.828 -1.777 1.00 0.00 C ATOM 309 CG TYR A 23 -5.064 -0.508 -1.355 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.872 -0.831 -0.008 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.685 -1.450 -2.308 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.317 -2.039 0.358 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.135 -2.655 -1.943 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.951 -2.946 -0.611 1.00 0.00 C ATOM 315 OH TYR A 23 -3.399 -4.152 -0.249 1.00 0.00 O ATOM 0 H TYR A 23 -7.955 -0.052 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.464 0.801 -0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.456 1.008 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.222 1.629 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.162 -0.125 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.826 -1.229 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.170 -2.273 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.848 -3.371 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.199 -4.675 -1.053 1.00 0.00 H new ATOM 325 N ASP A 24 -8.172 3.123 -1.164 1.00 0.00 N ATOM 326 CA ASP A 24 -8.550 4.517 -1.445 1.00 0.00 C ATOM 327 C ASP A 24 -7.297 5.393 -1.353 1.00 0.00 C ATOM 328 O ASP A 24 -6.917 5.835 -0.256 1.00 0.00 O ATOM 329 CB ASP A 24 -9.621 5.013 -0.438 1.00 0.00 C ATOM 330 CG ASP A 24 -10.923 4.201 -0.484 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.000 3.147 0.180 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.882 4.624 -1.165 1.00 0.00 O ATOM 0 H ASP A 24 -8.297 2.858 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.978 4.579 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.209 4.969 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.846 6.059 -0.645 1.00 0.00 H new ATOM 337 N ARG A 25 -6.613 5.574 -2.493 1.00 0.00 N ATOM 338 CA ARG A 25 -5.389 6.385 -2.560 1.00 0.00 C ATOM 339 C ARG A 25 -5.278 7.129 -3.890 1.00 0.00 C ATOM 340 O ARG A 25 -5.728 6.643 -4.929 1.00 0.00 O ATOM 341 CB ARG A 25 -4.136 5.502 -2.335 1.00 0.00 C ATOM 342 CG ARG A 25 -3.979 4.317 -3.304 1.00 0.00 C ATOM 343 CD ARG A 25 -2.756 3.429 -2.997 1.00 0.00 C ATOM 344 NE ARG A 25 -2.788 2.905 -1.617 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.256 1.751 -1.204 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.656 0.920 -2.054 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.343 1.423 0.074 1.00 0.00 N ATOM 0 H ARG A 25 -6.890 5.166 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.446 7.128 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.250 6.132 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.164 5.115 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.881 3.706 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.895 4.699 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.726 2.597 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.843 4.005 -3.145 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.259 3.476 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.595 1.159 -3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.257 0.044 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.812 2.048 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.942 0.545 0.404 1.00 0.00 H new ATOM 361 N GLY A 26 -4.634 8.302 -3.839 1.00 0.00 N ATOM 362 CA GLY A 26 -4.326 9.078 -5.037 1.00 0.00 C ATOM 363 C GLY A 26 -3.003 8.677 -5.677 1.00 0.00 C ATOM 364 O GLY A 26 -2.402 9.487 -6.398 1.00 0.00 O ATOM 0 H GLY A 26 -4.316 8.733 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.129 8.951 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.294 10.137 -4.780 1.00 0.00 H new ATOM 368 N CYS A 27 -2.552 7.417 -5.453 1.00 0.00 N ATOM 369 CA CYS A 27 -1.285 6.914 -6.007 1.00 0.00 C ATOM 370 C CYS A 27 -1.422 5.502 -6.605 1.00 0.00 C ATOM 371 O CYS A 27 -2.175 4.659 -6.105 1.00 0.00 O ATOM 372 CB CYS A 27 -0.174 6.937 -4.936 1.00 0.00 C ATOM 373 SG CYS A 27 -0.571 6.029 -3.424 1.00 0.00 S ATOM 0 H CYS A 27 -3.056 6.733 -4.888 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.010 7.584 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.737 6.520 -5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.041 7.973 -4.676 1.00 0.00 H new ATOM 0 HG CYS A 27 0.000 4.862 -3.456 1.00 0.00 H new ATOM 379 N LEU A 28 -0.690 5.285 -7.716 1.00 0.00 N ATOM 380 CA LEU A 28 -0.525 3.972 -8.356 1.00 0.00 C ATOM 381 C LEU A 28 0.897 3.467 -8.093 1.00 0.00 C ATOM 382 O LEU A 28 1.850 4.170 -8.391 1.00 0.00 O ATOM 383 CB LEU A 28 -0.727 4.080 -9.885 1.00 0.00 C ATOM 384 CG LEU A 28 -2.117 4.581 -10.376 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.078 4.983 -11.851 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.218 3.541 -10.149 1.00 0.00 C ATOM 0 H LEU A 28 -0.190 6.032 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.266 3.287 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.035 4.750 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.546 3.098 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.355 5.461 -9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.065 5.328 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.353 5.785 -11.990 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.788 4.123 -12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.169 3.934 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.975 2.629 -10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.295 3.319 -9.085 1.00 0.00 H new ATOM 398 N LEU A 29 1.013 2.252 -7.571 1.00 0.00 N ATOM 399 CA LEU A 29 2.308 1.577 -7.334 1.00 0.00 C ATOM 400 C LEU A 29 2.943 1.194 -8.687 1.00 0.00 C ATOM 401 O LEU A 29 2.403 0.336 -9.409 1.00 0.00 O ATOM 402 CB LEU A 29 2.106 0.305 -6.449 1.00 0.00 C ATOM 403 CG LEU A 29 1.920 0.527 -4.902 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.671 1.376 -4.566 1.00 0.00 C ATOM 405 CD2 LEU A 29 1.882 -0.829 -4.151 1.00 0.00 C ATOM 0 H LEU A 29 0.208 1.691 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 29 2.975 2.258 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.232 -0.230 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.966 -0.348 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 29 2.786 1.094 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.593 1.497 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.760 2.356 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.221 0.874 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.753 -0.650 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.050 -1.427 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.817 -1.364 -4.319 1.00 0.00 H new ATOM 417 N LYS A 30 4.058 1.861 -9.041 1.00 0.00 N ATOM 418 CA LYS A 30 4.796 1.564 -10.275 1.00 0.00 C ATOM 419 C LYS A 30 5.596 0.263 -10.105 1.00 0.00 C ATOM 420 O LYS A 30 6.562 0.219 -9.334 1.00 0.00 O ATOM 421 CB LYS A 30 5.747 2.716 -10.671 1.00 0.00 C ATOM 422 CG LYS A 30 6.372 2.516 -12.064 1.00 0.00 C ATOM 423 CD LYS A 30 7.335 3.644 -12.466 1.00 0.00 C ATOM 424 CE LYS A 30 7.993 3.355 -13.816 1.00 0.00 C ATOM 425 NZ LYS A 30 9.090 4.314 -14.135 1.00 0.00 N ATOM 0 H LYS A 30 4.466 2.612 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 30 4.066 1.447 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.198 3.657 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.541 2.798 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.908 1.567 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.576 2.446 -12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.792 4.588 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.103 3.760 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.392 2.341 -13.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.238 3.398 -14.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.602 3.988 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.686 5.255 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.748 4.369 -13.331 1.00 0.00 H new ATOM 439 N ALA A 31 5.161 -0.786 -10.810 1.00 0.00 N ATOM 440 CA ALA A 31 5.841 -2.082 -10.850 1.00 0.00 C ATOM 441 C ALA A 31 7.110 -1.956 -11.702 1.00 0.00 C ATOM 442 O ALA A 31 6.984 -1.692 -12.889 1.00 0.00 O ATOM 443 CB ALA A 31 4.899 -3.150 -11.442 1.00 0.00 C ATOM 0 H ALA A 31 4.314 -0.757 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 31 6.115 -2.386 -9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.411 -4.112 -11.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.006 -3.231 -10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.613 -2.863 -12.454 1.00 0.00 H new ATOM 449 N PRO A 32 8.348 -2.138 -11.133 1.00 0.00 N ATOM 450 CA PRO A 32 9.615 -2.028 -11.913 1.00 0.00 C ATOM 451 C PRO A 32 9.747 -3.155 -12.958 1.00 0.00 C ATOM 452 O PRO A 32 10.473 -3.025 -13.949 1.00 0.00 O ATOM 453 CB PRO A 32 10.712 -2.123 -10.819 1.00 0.00 C ATOM 454 CG PRO A 32 10.069 -2.895 -9.703 1.00 0.00 C ATOM 455 CD PRO A 32 8.617 -2.469 -9.702 1.00 0.00 C ATOM 0 HA PRO A 32 9.675 -1.110 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.601 -2.632 -11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.027 -1.134 -10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.163 -3.969 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.544 -2.673 -8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.965 -3.267 -9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.452 -1.609 -9.053 1.00 0.00 H new ATOM 463 N CYS A 33 9.003 -4.248 -12.716 1.00 0.00 N ATOM 464 CA CYS A 33 8.976 -5.438 -13.573 1.00 0.00 C ATOM 465 C CYS A 33 8.231 -5.186 -14.897 1.00 0.00 C ATOM 466 O CYS A 33 8.365 -5.955 -15.849 1.00 0.00 O ATOM 467 CB CYS A 33 8.295 -6.579 -12.805 1.00 0.00 C ATOM 468 SG CYS A 33 6.545 -6.271 -12.387 1.00 0.00 S ATOM 0 H CYS A 33 8.393 -4.327 -11.902 1.00 0.00 H new ATOM 0 HA CYS A 33 10.003 -5.700 -13.827 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.358 -7.490 -13.401 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.849 -6.761 -11.884 1.00 0.00 H new ATOM 0 HG CYS A 33 5.852 -6.153 -13.480 1.00 0.00 H new ATOM 473 N CYS A 34 7.427 -4.110 -14.934 1.00 0.00 N ATOM 474 CA CYS A 34 6.584 -3.769 -16.102 1.00 0.00 C ATOM 475 C CYS A 34 6.639 -2.265 -16.460 1.00 0.00 C ATOM 476 O CYS A 34 6.198 -1.879 -17.548 1.00 0.00 O ATOM 477 CB CYS A 34 5.125 -4.205 -15.827 1.00 0.00 C ATOM 478 SG CYS A 34 4.867 -5.996 -15.878 1.00 0.00 S ATOM 0 H CYS A 34 7.340 -3.451 -14.160 1.00 0.00 H new ATOM 0 HA CYS A 34 6.980 -4.308 -16.963 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.824 -3.833 -14.847 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.472 -3.734 -16.561 1.00 0.00 H new ATOM 0 HG CYS A 34 3.691 -6.279 -15.401 1.00 0.00 H new ATOM 483 N ASP A 35 7.174 -1.436 -15.537 1.00 0.00 N ATOM 484 CA ASP A 35 7.091 0.053 -15.581 1.00 0.00 C ATOM 485 C ASP A 35 5.629 0.552 -15.607 1.00 0.00 C ATOM 486 O ASP A 35 5.364 1.715 -15.936 1.00 0.00 O ATOM 487 CB ASP A 35 7.918 0.649 -16.761 1.00 0.00 C ATOM 488 CG ASP A 35 9.432 0.537 -16.531 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.006 -0.551 -16.771 1.00 0.00 O ATOM 490 OD2 ASP A 35 10.047 1.524 -16.065 1.00 0.00 O ATOM 0 H ASP A 35 7.685 -1.781 -14.725 1.00 0.00 H new ATOM 0 HA ASP A 35 7.539 0.417 -14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.654 0.132 -17.683 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.650 1.697 -16.896 1.00 0.00 H new ATOM 495 N LYS A 36 4.695 -0.327 -15.195 1.00 0.00 N ATOM 496 CA LYS A 36 3.246 -0.072 -15.257 1.00 0.00 C ATOM 497 C LYS A 36 2.709 0.331 -13.885 1.00 0.00 C ATOM 498 O LYS A 36 3.264 -0.033 -12.848 1.00 0.00 O ATOM 499 CB LYS A 36 2.498 -1.317 -15.794 1.00 0.00 C ATOM 500 CG LYS A 36 2.779 -1.632 -17.283 1.00 0.00 C ATOM 501 CD LYS A 36 2.114 -2.944 -17.750 1.00 0.00 C ATOM 502 CE LYS A 36 0.582 -2.899 -17.717 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.013 -4.225 -18.035 1.00 0.00 N ATOM 0 H LYS A 36 4.929 -1.241 -14.807 1.00 0.00 H new ATOM 0 HA LYS A 36 3.073 0.755 -15.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.777 -2.182 -15.192 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.426 -1.168 -15.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.419 -0.808 -17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.856 -1.700 -17.439 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.441 -3.166 -18.766 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.459 -3.762 -17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.248 -2.577 -16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.224 -2.158 -18.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.613 -4.143 -18.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.747 -4.912 -18.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.589 -4.548 -17.232 1.00 0.00 H new ATOM 517 N LEU A 37 1.598 1.060 -13.918 1.00 0.00 N ATOM 518 CA LEU A 37 1.041 1.765 -12.760 1.00 0.00 C ATOM 519 C LEU A 37 -0.255 1.068 -12.284 1.00 0.00 C ATOM 520 O LEU A 37 -1.231 0.986 -13.041 1.00 0.00 O ATOM 521 CB LEU A 37 0.768 3.248 -13.153 1.00 0.00 C ATOM 522 CG LEU A 37 2.006 4.201 -13.318 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.841 4.264 -12.027 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.877 3.859 -14.549 1.00 0.00 C ATOM 0 H LEU A 37 1.045 1.182 -14.767 1.00 0.00 H new ATOM 0 HA LEU A 37 1.753 1.743 -11.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.216 3.249 -14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.111 3.679 -12.398 1.00 0.00 H new ATOM 0 HG LEU A 37 1.604 5.197 -13.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.690 4.932 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.222 4.639 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.203 3.266 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.715 4.554 -14.606 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.255 2.841 -14.456 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.276 3.941 -15.454 1.00 0.00 H new ATOM 536 N TYR A 38 -0.244 0.559 -11.030 1.00 0.00 N ATOM 537 CA TYR A 38 -1.374 -0.193 -10.427 1.00 0.00 C ATOM 538 C TYR A 38 -1.597 0.239 -8.965 1.00 0.00 C ATOM 539 O TYR A 38 -0.670 0.175 -8.172 1.00 0.00 O ATOM 540 CB TYR A 38 -1.091 -1.722 -10.459 1.00 0.00 C ATOM 541 CG TYR A 38 -1.136 -2.374 -11.848 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.350 -2.788 -12.399 1.00 0.00 C ATOM 543 CD2 TYR A 38 0.029 -2.621 -12.586 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.402 -3.427 -13.622 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.025 -3.248 -13.816 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.246 -3.656 -14.325 1.00 0.00 C ATOM 547 OH TYR A 38 -1.305 -4.320 -15.528 1.00 0.00 O ATOM 0 H TYR A 38 0.554 0.658 -10.402 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.267 0.027 -11.012 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.107 -1.901 -10.025 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.818 -2.222 -9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.267 -2.605 -11.858 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.985 -2.316 -12.187 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.352 -3.746 -14.025 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.881 -3.419 -14.378 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.167 -4.141 -15.958 1.00 0.00 H new ATOM 557 N THR A 39 -2.849 0.622 -8.610 1.00 0.00 N ATOM 558 CA THR A 39 -3.232 1.033 -7.225 1.00 0.00 C ATOM 559 C THR A 39 -2.910 -0.078 -6.189 1.00 0.00 C ATOM 560 O THR A 39 -2.600 0.198 -5.017 1.00 0.00 O ATOM 561 CB THR A 39 -4.772 1.360 -7.140 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.194 2.121 -8.274 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.148 2.130 -5.864 1.00 0.00 C ATOM 0 H THR A 39 -3.625 0.656 -9.271 1.00 0.00 H new ATOM 0 HA THR A 39 -2.648 1.923 -6.991 1.00 0.00 H new ATOM 0 HB THR A 39 -5.282 0.397 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.153 2.311 -8.202 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.220 2.327 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.886 1.535 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.605 3.075 -5.836 1.00 0.00 H new ATOM 571 N CYS A 40 -2.992 -1.336 -6.653 1.00 0.00 N ATOM 572 CA CYS A 40 -2.832 -2.527 -5.811 1.00 0.00 C ATOM 573 C CYS A 40 -1.885 -3.520 -6.495 1.00 0.00 C ATOM 574 O CYS A 40 -1.888 -3.626 -7.730 1.00 0.00 O ATOM 575 CB CYS A 40 -4.208 -3.202 -5.597 1.00 0.00 C ATOM 576 SG CYS A 40 -5.616 -2.067 -5.590 1.00 0.00 S ATOM 0 H CYS A 40 -3.173 -1.554 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.416 -2.230 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.360 -3.942 -6.382 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.189 -3.741 -4.650 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.717 -2.740 -5.747 1.00 0.00 H new ATOM 581 N ARG A 41 -1.126 -4.272 -5.684 1.00 0.00 N ATOM 582 CA ARG A 41 -0.234 -5.337 -6.178 1.00 0.00 C ATOM 583 C ARG A 41 -1.037 -6.465 -6.876 1.00 0.00 C ATOM 584 O ARG A 41 -0.660 -6.932 -7.955 1.00 0.00 O ATOM 585 CB ARG A 41 0.628 -5.906 -5.014 1.00 0.00 C ATOM 586 CG ARG A 41 -0.170 -6.463 -3.813 1.00 0.00 C ATOM 587 CD ARG A 41 0.711 -7.248 -2.829 1.00 0.00 C ATOM 588 NE ARG A 41 1.395 -8.370 -3.495 1.00 0.00 N ATOM 589 CZ ARG A 41 2.006 -9.387 -2.882 1.00 0.00 C ATOM 590 NH1 ARG A 41 1.997 -9.496 -1.563 1.00 0.00 N ATOM 591 NH2 ARG A 41 2.615 -10.311 -3.607 1.00 0.00 N ATOM 0 H ARG A 41 -1.112 -4.161 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 41 0.434 -4.902 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.262 -6.700 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.290 -5.118 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.649 -5.638 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.965 -7.112 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.451 -6.580 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.097 -7.628 -2.012 1.00 0.00 H new ATOM 0 HE ARG A 41 1.403 -8.370 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.518 -8.796 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.469 -10.280 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.615 -10.243 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.085 -11.092 -3.148 1.00 0.00 H new ATOM 605 N LEU A 42 -2.170 -6.866 -6.258 1.00 0.00 N ATOM 606 CA LEU A 42 -3.054 -7.929 -6.788 1.00 0.00 C ATOM 607 C LEU A 42 -3.805 -7.476 -8.058 1.00 0.00 C ATOM 608 O LEU A 42 -4.220 -8.313 -8.856 1.00 0.00 O ATOM 609 CB LEU A 42 -4.069 -8.440 -5.721 1.00 0.00 C ATOM 610 CG LEU A 42 -5.163 -7.433 -5.212 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.396 -8.185 -4.659 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.608 -6.468 -4.137 1.00 0.00 C ATOM 0 H LEU A 42 -2.497 -6.463 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.398 -8.758 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.580 -9.310 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.502 -8.784 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.467 -6.838 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.137 -7.464 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.829 -8.802 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.092 -8.820 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.398 -5.790 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.251 -7.042 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.784 -5.891 -4.557 1.00 0.00 H new ATOM 624 N CYS A 43 -3.964 -6.146 -8.246 1.00 0.00 N ATOM 625 CA CYS A 43 -4.600 -5.584 -9.465 1.00 0.00 C ATOM 626 C CYS A 43 -3.670 -5.730 -10.693 1.00 0.00 C ATOM 627 O CYS A 43 -4.137 -5.718 -11.823 1.00 0.00 O ATOM 628 CB CYS A 43 -5.089 -4.120 -9.239 1.00 0.00 C ATOM 629 SG CYS A 43 -6.856 -4.016 -8.742 1.00 0.00 S ATOM 0 H CYS A 43 -3.662 -5.442 -7.573 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.496 -6.167 -9.680 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.474 -3.653 -8.470 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.942 -3.549 -10.156 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.953 -4.152 -7.453 1.00 0.00 H new ATOM 634 N HIS A 44 -2.349 -5.846 -10.448 1.00 0.00 N ATOM 635 CA HIS A 44 -1.370 -6.279 -11.479 1.00 0.00 C ATOM 636 C HIS A 44 -1.525 -7.784 -11.739 1.00 0.00 C ATOM 637 O HIS A 44 -1.682 -8.217 -12.878 1.00 0.00 O ATOM 638 CB HIS A 44 0.076 -5.942 -11.009 1.00 0.00 C ATOM 639 CG HIS A 44 1.222 -6.629 -11.743 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.461 -7.982 -11.644 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.239 -6.136 -12.526 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.562 -8.263 -12.321 1.00 0.00 C ATOM 643 NE2 HIS A 44 3.083 -7.199 -12.878 1.00 0.00 N ATOM 0 H HIS A 44 -1.929 -5.645 -9.540 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.560 -5.746 -12.411 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.217 -4.865 -11.094 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.154 -6.191 -9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.366 -5.105 -12.820 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.982 -9.254 -12.405 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.927 -7.153 -13.449 1.00 0.00 H new ATOM 651 N ASP A 45 -1.496 -8.548 -10.635 1.00 0.00 N ATOM 652 CA ASP A 45 -1.433 -10.028 -10.635 1.00 0.00 C ATOM 653 C ASP A 45 -2.670 -10.669 -11.308 1.00 0.00 C ATOM 654 O ASP A 45 -2.581 -11.763 -11.873 1.00 0.00 O ATOM 655 CB ASP A 45 -1.291 -10.512 -9.167 1.00 0.00 C ATOM 656 CG ASP A 45 -1.067 -12.028 -9.022 1.00 0.00 C ATOM 657 OD1 ASP A 45 0.087 -12.479 -9.154 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.042 -12.773 -8.774 1.00 0.00 O ATOM 0 H ASP A 45 -1.516 -8.151 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.570 -10.342 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.457 -9.987 -8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.190 -10.234 -8.616 1.00 0.00 H new ATOM 663 N ASN A 46 -3.813 -9.967 -11.238 1.00 0.00 N ATOM 664 CA ASN A 46 -5.092 -10.431 -11.816 1.00 0.00 C ATOM 665 C ASN A 46 -5.074 -10.363 -13.361 1.00 0.00 C ATOM 666 O ASN A 46 -5.737 -11.159 -14.035 1.00 0.00 O ATOM 667 CB ASN A 46 -6.264 -9.582 -11.246 1.00 0.00 C ATOM 668 CG ASN A 46 -7.674 -10.056 -11.653 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.567 -9.239 -11.875 1.00 0.00 O ATOM 670 ND2 ASN A 46 -7.900 -11.367 -11.704 1.00 0.00 N ATOM 0 H ASN A 46 -3.880 -9.059 -10.778 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.235 -11.475 -11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.197 -9.583 -10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.136 -8.550 -11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.831 -11.716 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.142 -12.023 -11.516 1.00 0.00 H new ATOM 677 N ASN A 47 -4.296 -9.407 -13.911 1.00 0.00 N ATOM 678 CA ASN A 47 -4.222 -9.159 -15.367 1.00 0.00 C ATOM 679 C ASN A 47 -3.029 -9.892 -15.997 1.00 0.00 C ATOM 680 O ASN A 47 -3.110 -10.351 -17.146 1.00 0.00 O ATOM 681 CB ASN A 47 -4.113 -7.634 -15.641 1.00 0.00 C ATOM 682 CG ASN A 47 -5.400 -6.881 -15.291 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.266 -6.675 -16.141 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.545 -6.490 -14.040 1.00 0.00 N ATOM 0 H ASN A 47 -3.703 -8.787 -13.360 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.134 -9.544 -15.822 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.286 -7.222 -15.062 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.877 -7.473 -16.693 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.393 -6.002 -13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.809 -6.676 -13.359 1.00 0.00 H new ATOM 691 N GLU A 48 -1.926 -10.004 -15.239 1.00 0.00 N ATOM 692 CA GLU A 48 -0.638 -10.491 -15.756 1.00 0.00 C ATOM 693 C GLU A 48 -0.327 -11.907 -15.260 1.00 0.00 C ATOM 694 O GLU A 48 -0.917 -12.386 -14.284 1.00 0.00 O ATOM 695 CB GLU A 48 0.482 -9.501 -15.360 1.00 0.00 C ATOM 696 CG GLU A 48 0.226 -8.055 -15.851 1.00 0.00 C ATOM 697 CD GLU A 48 1.453 -7.137 -15.801 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.593 -7.651 -15.776 1.00 0.00 O ATOM 699 OE2 GLU A 48 1.286 -5.894 -15.789 1.00 0.00 O ATOM 0 H GLU A 48 -1.903 -9.759 -14.249 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.698 -10.546 -16.843 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.585 -9.496 -14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.429 -9.853 -15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.141 -8.093 -16.877 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.566 -7.614 -15.245 1.00 0.00 H new ATOM 706 N ASP A 49 0.622 -12.556 -15.954 1.00 0.00 N ATOM 707 CA ASP A 49 1.008 -13.962 -15.719 1.00 0.00 C ATOM 708 C ASP A 49 1.847 -14.121 -14.439 1.00 0.00 C ATOM 709 O ASP A 49 1.814 -15.175 -13.798 1.00 0.00 O ATOM 710 CB ASP A 49 1.805 -14.500 -16.939 1.00 0.00 C ATOM 711 CG ASP A 49 3.218 -13.885 -17.073 1.00 0.00 C ATOM 712 OD1 ASP A 49 3.328 -12.666 -17.323 1.00 0.00 O ATOM 713 OD2 ASP A 49 4.223 -14.613 -16.909 1.00 0.00 O ATOM 0 H ASP A 49 1.152 -12.115 -16.706 1.00 0.00 H new ATOM 0 HA ASP A 49 0.092 -14.539 -15.590 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.895 -15.583 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.241 -14.297 -17.849 1.00 0.00 H new ATOM 718 N HIS A 50 2.599 -13.064 -14.082 1.00 0.00 N ATOM 719 CA HIS A 50 3.553 -13.095 -12.948 1.00 0.00 C ATOM 720 C HIS A 50 3.078 -12.171 -11.808 1.00 0.00 C ATOM 721 O HIS A 50 2.138 -11.380 -11.980 1.00 0.00 O ATOM 722 CB HIS A 50 4.995 -12.739 -13.422 1.00 0.00 C ATOM 723 CG HIS A 50 5.171 -11.347 -13.990 1.00 0.00 C ATOM 724 ND1 HIS A 50 5.038 -11.038 -15.321 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.470 -10.174 -13.370 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.253 -9.724 -15.463 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.513 -9.139 -14.301 1.00 0.00 N ATOM 0 H HIS A 50 2.566 -12.167 -14.566 1.00 0.00 H new ATOM 0 HA HIS A 50 3.585 -14.110 -12.553 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.675 -12.857 -12.578 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.298 -13.462 -14.179 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.815 -11.694 -16.070 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.648 -10.062 -12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.219 -9.204 -16.409 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.702 -8.152 -14.128 1.00 0.00 H new ATOM 735 N GLN A 51 3.751 -12.275 -10.653 1.00 0.00 N ATOM 736 CA GLN A 51 3.348 -11.589 -9.409 1.00 0.00 C ATOM 737 C GLN A 51 3.970 -10.182 -9.292 1.00 0.00 C ATOM 738 O GLN A 51 5.078 -9.928 -9.791 1.00 0.00 O ATOM 739 CB GLN A 51 3.740 -12.448 -8.169 1.00 0.00 C ATOM 740 CG GLN A 51 5.259 -12.652 -7.968 1.00 0.00 C ATOM 741 CD GLN A 51 5.620 -13.487 -6.730 1.00 0.00 C ATOM 742 OE1 GLN A 51 4.865 -14.362 -6.310 1.00 0.00 O ATOM 743 NE2 GLN A 51 6.778 -13.222 -6.144 1.00 0.00 N ATOM 0 H GLN A 51 4.595 -12.839 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 51 2.265 -11.468 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.331 -11.976 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.266 -13.426 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.670 -13.137 -8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.739 -11.676 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.382 -12.490 -6.517 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.065 -13.750 -5.320 1.00 0.00 H new ATOM 752 N LEU A 52 3.209 -9.260 -8.679 1.00 0.00 N ATOM 753 CA LEU A 52 3.735 -7.980 -8.166 1.00 0.00 C ATOM 754 C LEU A 52 3.836 -8.142 -6.644 1.00 0.00 C ATOM 755 O LEU A 52 2.826 -8.400 -5.984 1.00 0.00 O ATOM 756 CB LEU A 52 2.799 -6.771 -8.539 1.00 0.00 C ATOM 757 CG LEU A 52 3.364 -5.296 -8.377 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.408 -4.249 -8.997 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.659 -4.906 -6.913 1.00 0.00 C ATOM 0 H LEU A 52 2.208 -9.380 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 52 4.704 -7.756 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.494 -6.897 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.898 -6.849 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 52 4.311 -5.296 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.827 -3.251 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.283 -4.455 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.439 -4.302 -8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.042 -3.886 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.742 -4.969 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.402 -5.587 -6.498 1.00 0.00 H new ATOM 771 N ASP A 53 5.051 -8.020 -6.104 1.00 0.00 N ATOM 772 CA ASP A 53 5.277 -7.931 -4.647 1.00 0.00 C ATOM 773 C ASP A 53 5.416 -6.446 -4.264 1.00 0.00 C ATOM 774 O ASP A 53 6.202 -5.711 -4.874 1.00 0.00 O ATOM 775 CB ASP A 53 6.531 -8.744 -4.230 1.00 0.00 C ATOM 776 CG ASP A 53 6.881 -8.583 -2.740 1.00 0.00 C ATOM 777 OD1 ASP A 53 6.185 -9.176 -1.890 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.827 -7.839 -2.416 1.00 0.00 O ATOM 0 H ASP A 53 5.907 -7.980 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 53 4.430 -8.363 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.362 -9.799 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.381 -8.427 -4.834 1.00 0.00 H new ATOM 783 N ARG A 54 4.644 -6.021 -3.251 1.00 0.00 N ATOM 784 CA ARG A 54 4.497 -4.593 -2.859 1.00 0.00 C ATOM 785 C ARG A 54 5.761 -4.006 -2.191 1.00 0.00 C ATOM 786 O ARG A 54 5.802 -2.808 -1.904 1.00 0.00 O ATOM 787 CB ARG A 54 3.274 -4.441 -1.920 1.00 0.00 C ATOM 788 CG ARG A 54 3.358 -5.317 -0.651 1.00 0.00 C ATOM 789 CD ARG A 54 2.090 -5.275 0.213 1.00 0.00 C ATOM 790 NE ARG A 54 2.092 -6.366 1.205 1.00 0.00 N ATOM 791 CZ ARG A 54 1.000 -6.895 1.782 1.00 0.00 C ATOM 792 NH1 ARG A 54 -0.213 -6.405 1.537 1.00 0.00 N ATOM 793 NH2 ARG A 54 1.127 -7.921 2.608 1.00 0.00 N ATOM 0 H ARG A 54 4.096 -6.657 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 54 4.346 -4.023 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.181 -3.396 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.369 -4.699 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.553 -6.348 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.207 -4.991 -0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.025 -4.314 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.209 -5.358 -0.423 1.00 0.00 H new ATOM 0 HE ARG A 54 2.997 -6.751 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.325 -5.615 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.030 -6.820 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.051 -8.307 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.301 -8.326 3.049 1.00 0.00 H new ATOM 807 N PHE A 55 6.769 -4.850 -1.914 1.00 0.00 N ATOM 808 CA PHE A 55 8.068 -4.396 -1.374 1.00 0.00 C ATOM 809 C PHE A 55 9.071 -4.162 -2.523 1.00 0.00 C ATOM 810 O PHE A 55 10.050 -3.430 -2.350 1.00 0.00 O ATOM 811 CB PHE A 55 8.625 -5.420 -0.345 1.00 0.00 C ATOM 812 CG PHE A 55 7.741 -5.627 0.896 1.00 0.00 C ATOM 813 CD1 PHE A 55 6.591 -6.418 0.842 1.00 0.00 C ATOM 814 CD2 PHE A 55 8.058 -5.024 2.113 1.00 0.00 C ATOM 815 CE1 PHE A 55 5.795 -6.595 1.965 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.259 -5.203 3.231 1.00 0.00 C ATOM 817 CZ PHE A 55 6.128 -5.989 3.156 1.00 0.00 C ATOM 0 H PHE A 55 6.711 -5.858 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 55 7.918 -3.450 -0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.759 -6.380 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.612 -5.089 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.318 -6.898 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.941 -4.407 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.910 -7.211 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.523 -4.726 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.506 -6.129 4.028 1.00 0.00 H new ATOM 827 N LYS A 56 8.811 -4.788 -3.699 1.00 0.00 N ATOM 828 CA LYS A 56 9.688 -4.674 -4.891 1.00 0.00 C ATOM 829 C LYS A 56 9.508 -3.337 -5.627 1.00 0.00 C ATOM 830 O LYS A 56 10.447 -2.872 -6.289 1.00 0.00 O ATOM 831 CB LYS A 56 9.458 -5.851 -5.887 1.00 0.00 C ATOM 832 CG LYS A 56 9.755 -7.256 -5.322 1.00 0.00 C ATOM 833 CD LYS A 56 11.159 -7.390 -4.686 1.00 0.00 C ATOM 834 CE LYS A 56 12.318 -7.110 -5.659 1.00 0.00 C ATOM 835 NZ LYS A 56 13.640 -7.246 -4.989 1.00 0.00 N ATOM 0 H LYS A 56 7.994 -5.381 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 56 10.710 -4.720 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.422 -5.824 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.083 -5.690 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.002 -7.503 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.659 -7.988 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.232 -6.702 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.270 -8.398 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.263 -7.801 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.217 -6.104 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.398 -7.050 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.701 -6.569 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.746 -8.214 -4.623 1.00 0.00 H new ATOM 849 N VAL A 57 8.302 -2.736 -5.535 1.00 0.00 N ATOM 850 CA VAL A 57 8.038 -1.405 -6.127 1.00 0.00 C ATOM 851 C VAL A 57 8.874 -0.317 -5.422 1.00 0.00 C ATOM 852 O VAL A 57 9.396 -0.530 -4.323 1.00 0.00 O ATOM 853 CB VAL A 57 6.504 -1.035 -6.134 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.712 -1.972 -7.066 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.902 -1.048 -4.721 1.00 0.00 C ATOM 0 H VAL A 57 7.499 -3.148 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 57 8.347 -1.455 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 57 6.425 -0.017 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.658 -1.694 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.096 -1.884 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.821 -3.001 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.845 -0.788 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.010 -2.043 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.424 -0.323 -4.097 1.00 0.00 H new ATOM 865 N LYS A 58 9.003 0.840 -6.071 1.00 0.00 N ATOM 866 CA LYS A 58 9.957 1.889 -5.661 1.00 0.00 C ATOM 867 C LYS A 58 9.350 3.261 -5.951 1.00 0.00 C ATOM 868 O LYS A 58 9.373 4.173 -5.119 1.00 0.00 O ATOM 869 CB LYS A 58 11.283 1.707 -6.457 1.00 0.00 C ATOM 870 CG LYS A 58 12.474 2.558 -5.964 1.00 0.00 C ATOM 871 CD LYS A 58 13.043 2.075 -4.610 1.00 0.00 C ATOM 872 CE LYS A 58 13.592 0.639 -4.685 1.00 0.00 C ATOM 873 NZ LYS A 58 14.100 0.158 -3.375 1.00 0.00 N ATOM 0 H LYS A 58 8.454 1.083 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 58 10.166 1.812 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.569 0.656 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.095 1.948 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.265 2.534 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.156 3.596 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.838 2.749 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.261 2.123 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.806 -0.030 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.395 0.598 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.459 -0.813 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.869 0.779 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.329 0.170 -2.678 1.00 0.00 H new ATOM 887 N GLU A 59 8.837 3.384 -7.177 1.00 0.00 N ATOM 888 CA GLU A 59 8.131 4.570 -7.658 1.00 0.00 C ATOM 889 C GLU A 59 6.618 4.392 -7.517 1.00 0.00 C ATOM 890 O GLU A 59 6.113 3.290 -7.241 1.00 0.00 O ATOM 891 CB GLU A 59 8.491 4.818 -9.144 1.00 0.00 C ATOM 892 CG GLU A 59 9.937 5.277 -9.384 1.00 0.00 C ATOM 893 CD GLU A 59 10.313 5.300 -10.884 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.742 4.257 -11.420 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.160 6.346 -11.538 1.00 0.00 O ATOM 0 H GLU A 59 8.903 2.645 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 59 8.436 5.427 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.318 3.899 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.813 5.570 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.072 6.274 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.618 4.612 -8.853 1.00 0.00 H new ATOM 902 N VAL A 60 5.919 5.500 -7.756 1.00 0.00 N ATOM 903 CA VAL A 60 4.457 5.601 -7.779 1.00 0.00 C ATOM 904 C VAL A 60 4.085 6.687 -8.805 1.00 0.00 C ATOM 905 O VAL A 60 4.970 7.283 -9.444 1.00 0.00 O ATOM 906 CB VAL A 60 3.809 5.953 -6.360 1.00 0.00 C ATOM 907 CG1 VAL A 60 4.010 4.825 -5.315 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.321 7.315 -5.816 1.00 0.00 C ATOM 0 H VAL A 60 6.374 6.392 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 60 4.057 4.624 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 60 2.736 6.041 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.550 5.118 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.545 3.908 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.076 4.656 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.858 7.518 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.404 7.276 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.061 8.108 -6.517 1.00 0.00 H new ATOM 918 N GLN A 61 2.784 6.939 -8.987 1.00 0.00 N ATOM 919 CA GLN A 61 2.329 8.153 -9.689 1.00 0.00 C ATOM 920 C GLN A 61 1.075 8.714 -9.028 1.00 0.00 C ATOM 921 O GLN A 61 0.418 8.045 -8.247 1.00 0.00 O ATOM 922 CB GLN A 61 2.095 7.940 -11.211 1.00 0.00 C ATOM 923 CG GLN A 61 0.722 7.390 -11.635 1.00 0.00 C ATOM 924 CD GLN A 61 0.440 7.518 -13.148 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.263 6.704 -13.735 1.00 0.00 O ATOM 926 NE2 GLN A 61 0.970 8.549 -13.791 1.00 0.00 N ATOM 0 H GLN A 61 2.033 6.329 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 61 3.140 8.876 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.248 8.895 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.862 7.259 -11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.658 6.340 -11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.056 7.918 -11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.553 9.218 -13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.795 8.673 -14.788 1.00 0.00 H new ATOM 935 N CYS A 62 0.755 9.950 -9.381 1.00 0.00 N ATOM 936 CA CYS A 62 -0.403 10.685 -8.865 1.00 0.00 C ATOM 937 C CYS A 62 -1.575 10.552 -9.851 1.00 0.00 C ATOM 938 O CYS A 62 -1.464 11.009 -10.984 1.00 0.00 O ATOM 939 CB CYS A 62 0.040 12.143 -8.694 1.00 0.00 C ATOM 940 SG CYS A 62 -1.238 13.351 -8.264 1.00 0.00 S ATOM 0 H CYS A 62 1.304 10.488 -10.051 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.747 10.292 -7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.808 12.174 -7.921 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.510 12.465 -9.624 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.547 14.049 -9.316 1.00 0.00 H new ATOM 945 N ILE A 63 -2.696 9.922 -9.423 1.00 0.00 N ATOM 946 CA ILE A 63 -3.856 9.624 -10.311 1.00 0.00 C ATOM 947 C ILE A 63 -4.762 10.882 -10.363 1.00 0.00 C ATOM 948 O ILE A 63 -5.906 10.882 -9.890 1.00 0.00 O ATOM 949 CB ILE A 63 -4.692 8.349 -9.833 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.884 7.446 -8.857 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.163 7.515 -11.046 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.690 6.326 -8.210 1.00 0.00 C ATOM 0 H ILE A 63 -2.825 9.607 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.477 9.379 -11.303 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.561 8.728 -9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.047 7.006 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.461 8.072 -8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.730 6.652 -10.696 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.796 8.130 -11.686 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.296 7.174 -11.612 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.045 5.750 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.511 6.754 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.091 5.672 -8.984 1.00 0.00 H new ATOM 964 N ASN A 64 -4.184 11.969 -10.891 1.00 0.00 N ATOM 965 CA ASN A 64 -4.744 13.322 -10.824 1.00 0.00 C ATOM 966 C ASN A 64 -4.072 14.201 -11.903 1.00 0.00 C ATOM 967 O ASN A 64 -4.746 14.843 -12.714 1.00 0.00 O ATOM 968 CB ASN A 64 -4.529 13.871 -9.355 1.00 0.00 C ATOM 969 CG ASN A 64 -3.869 15.255 -9.251 1.00 0.00 C ATOM 970 OD1 ASN A 64 -2.658 15.362 -9.428 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.598 16.286 -8.863 1.00 0.00 N ATOM 0 H ASN A 64 -3.294 11.929 -11.388 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.814 13.330 -11.031 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.498 13.912 -8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.918 13.155 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.157 17.192 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.602 16.176 -8.722 1.00 0.00 H new ATOM 978 N CYS A 65 -2.721 14.217 -11.881 1.00 0.00 N ATOM 979 CA CYS A 65 -1.882 15.019 -12.810 1.00 0.00 C ATOM 980 C CYS A 65 -0.816 14.122 -13.469 1.00 0.00 C ATOM 981 O CYS A 65 -0.009 14.596 -14.275 1.00 0.00 O ATOM 982 CB CYS A 65 -1.212 16.217 -12.062 1.00 0.00 C ATOM 983 SG CYS A 65 0.109 15.779 -10.869 1.00 0.00 S ATOM 0 H CYS A 65 -2.175 13.671 -11.215 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.524 15.429 -13.590 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.793 16.895 -12.805 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.988 16.767 -11.529 1.00 0.00 H new ATOM 0 HG CYS A 65 0.282 16.760 -10.034 1.00 0.00 H new ATOM 988 N GLU A 66 -0.837 12.818 -13.094 1.00 0.00 N ATOM 989 CA GLU A 66 0.010 11.747 -13.662 1.00 0.00 C ATOM 990 C GLU A 66 1.521 12.002 -13.502 1.00 0.00 C ATOM 991 O GLU A 66 2.337 11.507 -14.287 1.00 0.00 O ATOM 992 CB GLU A 66 -0.403 11.445 -15.128 1.00 0.00 C ATOM 993 CG GLU A 66 -1.855 10.943 -15.259 1.00 0.00 C ATOM 994 CD GLU A 66 -2.253 10.600 -16.701 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.431 11.538 -17.508 1.00 0.00 O ATOM 996 OE2 GLU A 66 -2.394 9.401 -17.031 1.00 0.00 O ATOM 0 H GLU A 66 -1.464 12.476 -12.366 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.173 10.849 -13.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.282 12.348 -15.726 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.272 10.696 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.984 10.059 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.532 11.706 -14.875 1.00 0.00 H new ATOM 1003 N LYS A 67 1.878 12.739 -12.438 1.00 0.00 N ATOM 1004 CA LYS A 67 3.276 12.915 -12.023 1.00 0.00 C ATOM 1005 C LYS A 67 3.875 11.562 -11.586 1.00 0.00 C ATOM 1006 O LYS A 67 3.404 10.966 -10.612 1.00 0.00 O ATOM 1007 CB LYS A 67 3.357 13.943 -10.860 1.00 0.00 C ATOM 1008 CG LYS A 67 4.748 14.057 -10.185 1.00 0.00 C ATOM 1009 CD LYS A 67 5.870 14.533 -11.144 1.00 0.00 C ATOM 1010 CE LYS A 67 7.274 14.375 -10.531 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.435 15.121 -9.258 1.00 0.00 N ATOM 0 H LYS A 67 1.207 13.227 -11.844 1.00 0.00 H new ATOM 0 HA LYS A 67 3.852 13.293 -12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.073 14.924 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.623 13.671 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.680 14.751 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.022 13.086 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.816 13.964 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.705 15.579 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.471 13.318 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.019 14.723 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.244 15.770 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.571 15.666 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.603 14.450 -8.481 1.00 0.00 H new ATOM 1025 N ILE A 68 4.899 11.097 -12.323 1.00 0.00 N ATOM 1026 CA ILE A 68 5.691 9.922 -11.949 1.00 0.00 C ATOM 1027 C ILE A 68 6.759 10.386 -10.947 1.00 0.00 C ATOM 1028 O ILE A 68 7.725 11.071 -11.310 1.00 0.00 O ATOM 1029 CB ILE A 68 6.385 9.240 -13.192 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.320 8.704 -14.210 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.366 8.114 -12.750 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.572 7.449 -13.774 1.00 0.00 C ATOM 0 H ILE A 68 5.198 11.530 -13.197 1.00 0.00 H new ATOM 0 HA ILE A 68 5.029 9.174 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 68 6.975 10.003 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.592 9.493 -14.398 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.819 8.499 -15.157 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.826 7.666 -13.631 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.141 8.537 -12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.818 7.350 -12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.860 7.162 -14.548 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.283 6.638 -13.616 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.037 7.648 -12.845 1.00 0.00 H new ATOM 1044 N GLN A 69 6.547 10.024 -9.689 1.00 0.00 N ATOM 1045 CA GLN A 69 7.425 10.382 -8.570 1.00 0.00 C ATOM 1046 C GLN A 69 7.805 9.103 -7.812 1.00 0.00 C ATOM 1047 O GLN A 69 7.284 8.031 -8.111 1.00 0.00 O ATOM 1048 CB GLN A 69 6.708 11.414 -7.648 1.00 0.00 C ATOM 1049 CG GLN A 69 5.363 10.925 -7.059 1.00 0.00 C ATOM 1050 CD GLN A 69 4.610 12.004 -6.271 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.770 12.727 -6.819 1.00 0.00 O ATOM 1052 NE2 GLN A 69 4.905 12.121 -4.983 1.00 0.00 N ATOM 0 H GLN A 69 5.745 9.461 -9.406 1.00 0.00 H new ATOM 0 HA GLN A 69 8.340 10.850 -8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.376 11.674 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.530 12.327 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.728 10.570 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.550 10.073 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.603 11.508 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.433 12.824 -4.414 1.00 0.00 H new ATOM 1061 N HIS A 70 8.750 9.200 -6.869 1.00 0.00 N ATOM 1062 CA HIS A 70 9.111 8.058 -5.999 1.00 0.00 C ATOM 1063 C HIS A 70 8.031 7.880 -4.913 1.00 0.00 C ATOM 1064 O HIS A 70 7.192 8.776 -4.721 1.00 0.00 O ATOM 1065 CB HIS A 70 10.514 8.265 -5.373 1.00 0.00 C ATOM 1066 CG HIS A 70 11.657 8.330 -6.371 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.923 7.854 -6.098 1.00 0.00 N ATOM 1068 CD2 HIS A 70 11.733 8.858 -7.623 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.713 8.084 -7.129 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.017 8.691 -8.063 1.00 0.00 N ATOM 0 H HIS A 70 9.281 10.051 -6.684 1.00 0.00 H new ATOM 0 HA HIS A 70 9.156 7.149 -6.598 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.504 9.188 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.707 7.451 -4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.926 9.324 -8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.758 7.818 -7.194 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.376 8.990 -8.970 1.00 0.00 H new ATOM 1079 N ALA A 71 8.056 6.722 -4.221 1.00 0.00 N ATOM 1080 CA ALA A 71 7.039 6.361 -3.215 1.00 0.00 C ATOM 1081 C ALA A 71 6.998 7.392 -2.058 1.00 0.00 C ATOM 1082 O ALA A 71 7.808 7.341 -1.120 1.00 0.00 O ATOM 1083 CB ALA A 71 7.284 4.935 -2.700 1.00 0.00 C ATOM 0 H ALA A 71 8.780 6.014 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 71 6.059 6.383 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.527 4.681 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.227 4.233 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.272 4.878 -2.244 1.00 0.00 H new ATOM 1089 N GLN A 72 6.041 8.328 -2.159 1.00 0.00 N ATOM 1090 CA GLN A 72 5.914 9.489 -1.259 1.00 0.00 C ATOM 1091 C GLN A 72 4.441 9.632 -0.823 1.00 0.00 C ATOM 1092 O GLN A 72 3.555 9.070 -1.466 1.00 0.00 O ATOM 1093 CB GLN A 72 6.427 10.757 -2.009 1.00 0.00 C ATOM 1094 CG GLN A 72 6.678 11.994 -1.129 1.00 0.00 C ATOM 1095 CD GLN A 72 7.379 13.132 -1.886 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.610 13.208 -1.914 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.611 14.008 -2.516 1.00 0.00 N ATOM 0 H GLN A 72 5.320 8.300 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 72 6.515 9.358 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.355 10.503 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.701 11.021 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.727 12.356 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.286 11.706 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.596 13.919 -2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.035 14.772 -3.043 1.00 0.00 H new ATOM 1106 N GLN A 73 4.200 10.363 0.277 1.00 0.00 N ATOM 1107 CA GLN A 73 2.857 10.498 0.884 1.00 0.00 C ATOM 1108 C GLN A 73 1.985 11.550 0.167 1.00 0.00 C ATOM 1109 O GLN A 73 0.759 11.404 0.087 1.00 0.00 O ATOM 1110 CB GLN A 73 3.005 10.841 2.393 1.00 0.00 C ATOM 1111 CG GLN A 73 1.695 11.044 3.199 1.00 0.00 C ATOM 1112 CD GLN A 73 0.759 9.824 3.268 1.00 0.00 C ATOM 1113 OE1 GLN A 73 0.618 9.042 2.326 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.146 9.619 4.423 1.00 0.00 N ATOM 0 H GLN A 73 4.927 10.878 0.774 1.00 0.00 H new ATOM 0 HA GLN A 73 2.342 9.544 0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.575 10.043 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.599 11.751 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.957 11.336 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.145 11.877 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.274 10.277 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.454 8.803 4.544 1.00 0.00 H new ATOM 1123 N THR A 74 2.613 12.616 -0.338 1.00 0.00 N ATOM 1124 CA THR A 74 1.901 13.723 -1.009 1.00 0.00 C ATOM 1125 C THR A 74 2.554 14.004 -2.377 1.00 0.00 C ATOM 1126 O THR A 74 3.688 13.593 -2.632 1.00 0.00 O ATOM 1127 CB THR A 74 1.911 15.022 -0.116 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.657 14.665 1.257 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.859 16.061 -0.548 1.00 0.00 C ATOM 0 H THR A 74 3.624 12.742 -0.297 1.00 0.00 H new ATOM 0 HA THR A 74 0.862 13.430 -1.161 1.00 0.00 H new ATOM 0 HB THR A 74 2.896 15.474 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.665 15.473 1.812 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.917 16.931 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.050 16.367 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.136 15.621 -0.479 1.00 0.00 H new ATOM 1137 N CYS A 75 1.801 14.657 -3.257 1.00 0.00 N ATOM 1138 CA CYS A 75 2.272 15.100 -4.568 1.00 0.00 C ATOM 1139 C CYS A 75 2.745 16.546 -4.479 1.00 0.00 C ATOM 1140 O CYS A 75 1.947 17.433 -4.247 1.00 0.00 O ATOM 1141 CB CYS A 75 1.121 14.998 -5.570 1.00 0.00 C ATOM 1142 SG CYS A 75 1.470 15.590 -7.254 1.00 0.00 S ATOM 0 H CYS A 75 0.827 14.899 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 75 3.101 14.472 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.811 13.955 -5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.274 15.560 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 75 0.431 16.220 -7.716 1.00 0.00 H new ATOM 1147 N GLU A 76 4.045 16.747 -4.632 1.00 0.00 N ATOM 1148 CA GLU A 76 4.671 18.076 -4.779 1.00 0.00 C ATOM 1149 C GLU A 76 4.080 18.872 -5.975 1.00 0.00 C ATOM 1150 O GLU A 76 4.007 20.101 -5.927 1.00 0.00 O ATOM 1151 CB GLU A 76 6.214 17.916 -4.938 1.00 0.00 C ATOM 1152 CG GLU A 76 6.693 17.176 -6.219 1.00 0.00 C ATOM 1153 CD GLU A 76 6.173 15.730 -6.365 1.00 0.00 C ATOM 1154 OE1 GLU A 76 6.567 14.864 -5.561 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.311 15.480 -7.234 1.00 0.00 O ATOM 0 H GLU A 76 4.719 15.982 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 76 4.455 18.649 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.666 18.908 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.596 17.380 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.380 17.749 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.783 17.157 -6.225 1.00 0.00 H new ATOM 1162 N GLU A 77 3.642 18.143 -7.019 1.00 0.00 N ATOM 1163 CA GLU A 77 3.122 18.722 -8.271 1.00 0.00 C ATOM 1164 C GLU A 77 1.765 19.458 -8.078 1.00 0.00 C ATOM 1165 O GLU A 77 1.531 20.482 -8.717 1.00 0.00 O ATOM 1166 CB GLU A 77 2.999 17.601 -9.346 1.00 0.00 C ATOM 1167 CG GLU A 77 2.543 18.057 -10.751 1.00 0.00 C ATOM 1168 CD GLU A 77 3.501 19.060 -11.421 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.521 18.619 -11.989 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.246 20.286 -11.365 1.00 0.00 O ATOM 0 H GLU A 77 3.640 17.123 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 77 3.831 19.479 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.967 17.109 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.295 16.852 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.443 17.181 -11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.555 18.510 -10.673 1.00 0.00 H new ATOM 1177 N CYS A 78 0.877 18.947 -7.183 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.493 19.524 -7.024 1.00 0.00 C ATOM 1179 C CYS A 78 -1.073 19.326 -5.599 1.00 0.00 C ATOM 1180 O CYS A 78 -2.291 19.412 -5.413 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.465 18.917 -8.069 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.882 17.195 -7.752 1.00 0.00 S ATOM 0 H CYS A 78 1.075 18.155 -6.572 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.393 20.597 -7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.382 19.507 -8.086 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.016 18.997 -9.059 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.017 16.566 -8.882 1.00 0.00 H new ATOM 1187 N SER A 79 -0.196 19.061 -4.604 1.00 0.00 N ATOM 1188 CA SER A 79 -0.575 18.936 -3.169 1.00 0.00 C ATOM 1189 C SER A 79 -1.562 17.770 -2.888 1.00 0.00 C ATOM 1190 O SER A 79 -2.202 17.746 -1.833 1.00 0.00 O ATOM 1191 CB SER A 79 -1.125 20.291 -2.630 1.00 0.00 C ATOM 1192 OG SER A 79 -0.195 21.344 -2.848 1.00 0.00 O ATOM 0 H SER A 79 0.801 18.926 -4.770 1.00 0.00 H new ATOM 0 HA SER A 79 0.336 18.684 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.068 20.526 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.336 20.203 -1.564 1.00 0.00 H new ATOM 0 HG SER A 79 -0.564 22.183 -2.503 1.00 0.00 H new ATOM 1198 N THR A 80 -1.636 16.775 -3.807 1.00 0.00 N ATOM 1199 CA THR A 80 -2.547 15.620 -3.666 1.00 0.00 C ATOM 1200 C THR A 80 -2.023 14.665 -2.576 1.00 0.00 C ATOM 1201 O THR A 80 -1.016 13.972 -2.778 1.00 0.00 O ATOM 1202 CB THR A 80 -2.738 14.862 -5.032 1.00 0.00 C ATOM 1203 OG1 THR A 80 -3.347 15.741 -5.975 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.590 13.580 -4.914 1.00 0.00 C ATOM 0 H THR A 80 -1.071 16.753 -4.656 1.00 0.00 H new ATOM 0 HA THR A 80 -3.526 15.995 -3.366 1.00 0.00 H new ATOM 0 HB THR A 80 -1.746 14.552 -5.359 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.655 16.145 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.679 13.111 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.111 12.887 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.582 13.836 -4.543 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.679 14.693 -1.404 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.395 13.771 -0.301 1.00 0.00 C ATOM 1214 C LEU A 81 -2.951 12.383 -0.657 1.00 0.00 C ATOM 1215 O LEU A 81 -4.174 12.194 -0.703 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.021 14.300 1.021 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.752 13.442 2.300 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.246 13.401 2.645 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.593 13.930 3.508 1.00 0.00 C ATOM 0 H LEU A 81 -3.423 15.360 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.318 13.697 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.646 15.308 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.099 14.380 0.882 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.068 12.423 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.094 12.796 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.694 12.964 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.887 14.414 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.377 13.308 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.341 14.966 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.653 13.859 3.265 1.00 0.00 H new ATOM 1231 N PHE A 82 -2.043 11.434 -0.934 1.00 0.00 N ATOM 1232 CA PHE A 82 -2.395 10.083 -1.404 1.00 0.00 C ATOM 1233 C PHE A 82 -3.134 9.281 -0.314 1.00 0.00 C ATOM 1234 O PHE A 82 -3.980 8.445 -0.623 1.00 0.00 O ATOM 1235 CB PHE A 82 -1.120 9.326 -1.869 1.00 0.00 C ATOM 1236 CG PHE A 82 -0.296 10.037 -2.957 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.896 10.867 -3.907 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.083 9.849 -3.040 1.00 0.00 C ATOM 1239 CE1 PHE A 82 -0.147 11.479 -4.892 1.00 0.00 C ATOM 1240 CE2 PHE A 82 1.832 10.466 -4.025 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.217 11.279 -4.950 1.00 0.00 C ATOM 0 H PHE A 82 -1.038 11.582 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.072 10.188 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.480 9.158 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.415 8.345 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.963 11.033 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.575 9.210 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.630 12.116 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.900 10.310 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.802 11.760 -5.720 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.811 9.574 0.953 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.436 8.910 2.093 1.00 0.00 C ATOM 1253 C GLY A 83 -3.116 9.597 3.401 1.00 0.00 C ATOM 1254 O GLY A 83 -2.290 10.501 3.436 1.00 0.00 O ATOM 0 H GLY A 83 -2.114 10.273 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.516 8.888 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.100 7.874 2.137 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.784 9.187 4.478 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.508 9.699 5.828 1.00 0.00 C ATOM 1260 C GLU A 84 -2.313 8.944 6.442 1.00 0.00 C ATOM 1261 O GLU A 84 -1.385 9.551 6.990 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.769 9.529 6.697 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.007 10.279 6.179 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.261 9.981 7.013 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -7.464 10.621 8.065 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.020 9.066 6.636 1.00 0.00 O ATOM 0 H GLU A 84 -4.530 8.493 4.444 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.251 10.757 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.006 8.467 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.548 9.873 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.811 11.351 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.189 10.001 5.141 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.363 7.612 6.326 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.294 6.704 6.771 1.00 0.00 C ATOM 1275 C TYR A 85 -0.306 6.481 5.608 1.00 0.00 C ATOM 1276 O TYR A 85 -0.730 6.278 4.460 1.00 0.00 O ATOM 1277 CB TYR A 85 -1.921 5.355 7.225 1.00 0.00 C ATOM 1278 CG TYR A 85 -0.978 4.416 8.007 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.047 3.600 7.353 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.039 4.336 9.400 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.777 2.751 8.059 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.212 3.489 10.107 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.690 2.700 9.433 1.00 0.00 C ATOM 1284 OH TYR A 85 1.500 1.846 10.133 1.00 0.00 O ATOM 0 H TYR A 85 -3.159 7.125 5.914 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.756 7.139 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.790 5.569 7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.282 4.827 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.027 3.637 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.749 4.950 9.934 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.488 2.128 7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.272 3.446 11.184 1.00 0.00 H new ATOM 0 HH TYR A 85 1.678 2.219 11.022 1.00 0.00 H new ATOM 1294 N TYR A 86 1.002 6.540 5.910 1.00 0.00 N ATOM 1295 CA TYR A 86 2.076 6.212 4.946 1.00 0.00 C ATOM 1296 C TYR A 86 2.975 5.125 5.530 1.00 0.00 C ATOM 1297 O TYR A 86 3.093 4.997 6.756 1.00 0.00 O ATOM 1298 CB TYR A 86 2.931 7.459 4.578 1.00 0.00 C ATOM 1299 CG TYR A 86 3.793 8.046 5.715 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.217 8.778 6.759 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.182 7.864 5.739 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.990 9.300 7.777 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.955 8.386 6.757 1.00 0.00 C ATOM 1304 CZ TYR A 86 5.356 9.102 7.771 1.00 0.00 C ATOM 1305 OH TYR A 86 6.129 9.624 8.785 1.00 0.00 O ATOM 0 H TYR A 86 1.349 6.816 6.829 1.00 0.00 H new ATOM 0 HA TYR A 86 1.603 5.855 4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.589 7.193 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.262 8.240 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.149 8.938 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.657 7.305 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.527 9.861 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.024 8.234 6.759 1.00 0.00 H new ATOM 0 HH TYR A 86 7.069 9.393 8.632 1.00 0.00 H new ATOM 1315 N CYS A 87 3.599 4.348 4.644 1.00 0.00 N ATOM 1316 CA CYS A 87 4.617 3.366 5.023 1.00 0.00 C ATOM 1317 C CYS A 87 5.403 2.991 3.765 1.00 0.00 C ATOM 1318 O CYS A 87 4.850 2.353 2.857 1.00 0.00 O ATOM 1319 CB CYS A 87 3.938 2.132 5.650 1.00 0.00 C ATOM 1320 SG CYS A 87 5.049 0.904 6.404 1.00 0.00 S ATOM 0 H CYS A 87 3.413 4.381 3.642 1.00 0.00 H new ATOM 0 HA CYS A 87 5.301 3.778 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.238 2.475 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.350 1.635 4.878 1.00 0.00 H new ATOM 0 HG CYS A 87 4.808 -0.268 5.896 1.00 0.00 H new ATOM 1325 N ASP A 88 6.691 3.376 3.733 1.00 0.00 N ATOM 1326 CA ASP A 88 7.543 3.254 2.535 1.00 0.00 C ATOM 1327 C ASP A 88 7.929 1.798 2.262 1.00 0.00 C ATOM 1328 O ASP A 88 8.030 1.403 1.109 1.00 0.00 O ATOM 1329 CB ASP A 88 8.816 4.132 2.672 1.00 0.00 C ATOM 1330 CG ASP A 88 9.728 3.715 3.845 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.433 4.090 4.998 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.739 3.010 3.623 1.00 0.00 O ATOM 0 H ASP A 88 7.171 3.781 4.537 1.00 0.00 H new ATOM 0 HA ASP A 88 6.961 3.610 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.385 4.080 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.518 5.172 2.806 1.00 0.00 H new ATOM 1337 N ILE A 89 8.130 1.009 3.338 1.00 0.00 N ATOM 1338 CA ILE A 89 8.561 -0.403 3.235 1.00 0.00 C ATOM 1339 C ILE A 89 7.494 -1.242 2.498 1.00 0.00 C ATOM 1340 O ILE A 89 7.793 -1.958 1.536 1.00 0.00 O ATOM 1341 CB ILE A 89 8.843 -1.022 4.657 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.863 -0.147 5.454 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.358 -2.481 4.541 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.113 -0.596 6.891 1.00 0.00 C ATOM 0 H ILE A 89 7.999 1.329 4.298 1.00 0.00 H new ATOM 0 HA ILE A 89 9.489 -0.424 2.664 1.00 0.00 H new ATOM 0 HB ILE A 89 7.900 -1.036 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.813 -0.145 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.503 0.882 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.544 -2.882 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.609 -3.092 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.284 -2.495 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.834 0.073 7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.177 -0.570 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.507 -1.612 6.891 1.00 0.00 H new ATOM 1356 N CYS A 90 6.236 -1.105 2.952 1.00 0.00 N ATOM 1357 CA CYS A 90 5.082 -1.821 2.373 1.00 0.00 C ATOM 1358 C CYS A 90 4.589 -1.118 1.089 1.00 0.00 C ATOM 1359 O CYS A 90 3.824 -1.706 0.312 1.00 0.00 O ATOM 1360 CB CYS A 90 3.941 -1.874 3.404 1.00 0.00 C ATOM 1361 SG CYS A 90 4.389 -2.552 5.033 1.00 0.00 S ATOM 0 H CYS A 90 5.989 -0.495 3.731 1.00 0.00 H new ATOM 0 HA CYS A 90 5.394 -2.833 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.554 -0.865 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.129 -2.473 2.991 1.00 0.00 H new ATOM 0 HG CYS A 90 3.616 -2.040 5.944 1.00 0.00 H new ATOM 1366 N HIS A 91 5.009 0.167 0.932 1.00 0.00 N ATOM 1367 CA HIS A 91 4.684 1.039 -0.226 1.00 0.00 C ATOM 1368 C HIS A 91 3.174 1.324 -0.333 1.00 0.00 C ATOM 1369 O HIS A 91 2.671 1.692 -1.404 1.00 0.00 O ATOM 1370 CB HIS A 91 5.241 0.437 -1.534 1.00 0.00 C ATOM 1371 CG HIS A 91 6.746 0.385 -1.600 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.489 -0.654 -1.083 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.640 1.258 -2.120 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.769 -0.417 -1.278 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.892 0.737 -1.907 1.00 0.00 N ATOM 0 H HIS A 91 5.596 0.634 1.624 1.00 0.00 H new ATOM 0 HA HIS A 91 5.170 2.000 -0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.849 -0.573 -1.652 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.872 1.022 -2.376 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.106 -1.479 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.411 2.192 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.582 -1.059 -0.974 1.00 0.00 H new ATOM 1384 N LEU A 92 2.464 1.185 0.800 1.00 0.00 N ATOM 1385 CA LEU A 92 1.027 1.452 0.875 1.00 0.00 C ATOM 1386 C LEU A 92 0.821 2.840 1.491 1.00 0.00 C ATOM 1387 O LEU A 92 1.419 3.163 2.533 1.00 0.00 O ATOM 1388 CB LEU A 92 0.291 0.321 1.667 1.00 0.00 C ATOM 1389 CG LEU A 92 0.669 0.087 3.181 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.115 1.011 4.155 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.467 -1.397 3.562 1.00 0.00 C ATOM 0 H LEU A 92 2.874 0.885 1.685 1.00 0.00 H new ATOM 0 HA LEU A 92 0.588 1.451 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.778 0.528 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.457 -0.616 1.136 1.00 0.00 H new ATOM 0 HG LEU A 92 1.722 0.349 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.190 0.801 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.099 2.053 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.184 0.827 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.732 -1.543 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.576 -1.673 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.103 -2.023 2.936 1.00 0.00 H new ATOM 1403 N PHE A 93 0.046 3.681 0.796 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.335 5.018 1.270 1.00 0.00 C ATOM 1405 C PHE A 93 -1.846 5.112 1.109 1.00 0.00 C ATOM 1406 O PHE A 93 -2.323 5.161 -0.008 1.00 0.00 O ATOM 1407 CB PHE A 93 0.372 6.131 0.427 1.00 0.00 C ATOM 1408 CG PHE A 93 1.872 5.906 0.200 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.728 5.641 1.273 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.424 5.952 -1.082 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.072 5.426 1.073 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.772 5.738 -1.279 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.596 5.474 -0.200 1.00 0.00 C ATOM 0 H PHE A 93 -0.338 3.451 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.033 5.165 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.122 6.203 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.234 7.090 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.328 5.604 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.787 6.158 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.717 5.219 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.184 5.777 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.651 5.305 -0.356 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.583 5.129 2.213 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.058 5.068 2.203 1.00 0.00 C ATOM 1425 C ASP A 94 -4.600 5.705 3.478 1.00 0.00 C ATOM 1426 O ASP A 94 -3.832 6.186 4.310 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.575 3.604 2.027 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.022 2.612 3.064 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -2.928 2.057 2.835 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -4.686 2.358 4.094 1.00 0.00 O ATOM 0 H ASP A 94 -2.182 5.186 3.149 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.426 5.630 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.663 3.605 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.310 3.254 1.029 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.931 5.742 3.594 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.623 6.363 4.737 1.00 0.00 C ATOM 1437 C LYS A 95 -6.226 5.674 6.058 1.00 0.00 C ATOM 1438 O LYS A 95 -6.014 4.457 6.094 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.153 6.274 4.536 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.638 6.730 3.139 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.137 6.443 2.907 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.475 4.958 3.115 1.00 0.00 C ATOM 1443 NZ LYS A 95 -11.892 4.648 2.786 1.00 0.00 N ATOM 0 H LYS A 95 -6.563 5.343 2.900 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.326 7.410 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.470 5.244 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.644 6.883 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.455 7.799 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.052 6.223 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.733 7.050 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.411 6.739 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.819 4.348 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.277 4.685 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.355 4.222 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.388 5.524 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.925 3.981 1.989 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.144 6.458 7.131 1.00 0.00 N ATOM 1458 CA ASP A 96 -5.758 5.950 8.457 1.00 0.00 C ATOM 1459 C ASP A 96 -7.031 5.704 9.258 1.00 0.00 C ATOM 1460 O ASP A 96 -7.766 6.641 9.580 1.00 0.00 O ATOM 1461 CB ASP A 96 -4.816 6.943 9.197 1.00 0.00 C ATOM 1462 CG ASP A 96 -4.472 6.507 10.640 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -3.984 5.369 10.836 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -4.687 7.305 11.585 1.00 0.00 O ATOM 0 H ASP A 96 -6.341 7.459 7.112 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.201 5.020 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.892 7.048 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.287 7.926 9.225 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.302 4.423 9.526 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.464 3.975 10.303 1.00 0.00 C ATOM 1471 C LYS A 97 -7.962 3.008 11.362 1.00 0.00 C ATOM 1472 O LYS A 97 -8.047 1.774 11.202 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.531 3.338 9.367 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.089 4.324 8.324 1.00 0.00 C ATOM 1475 CD LYS A 97 -11.123 3.702 7.369 1.00 0.00 C ATOM 1476 CE LYS A 97 -11.774 4.760 6.467 1.00 0.00 C ATOM 1477 NZ LYS A 97 -12.439 5.837 7.244 1.00 0.00 N ATOM 0 H LYS A 97 -6.712 3.656 9.205 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.958 4.813 10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.090 2.485 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.353 2.955 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.548 5.165 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.262 4.724 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.639 2.946 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.894 3.194 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.014 5.199 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.506 4.279 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.095 6.356 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.967 5.418 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.721 6.492 7.615 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.324 3.611 12.394 1.00 0.00 N ATOM 1492 CA LYS A 98 -6.777 2.902 13.562 1.00 0.00 C ATOM 1493 C LYS A 98 -5.654 1.917 13.152 1.00 0.00 C ATOM 1494 O LYS A 98 -5.347 0.970 13.880 1.00 0.00 O ATOM 1495 CB LYS A 98 -7.926 2.196 14.318 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.074 3.121 14.795 1.00 0.00 C ATOM 1497 CD LYS A 98 -8.615 4.229 15.767 1.00 0.00 C ATOM 1498 CE LYS A 98 -9.771 5.158 16.179 1.00 0.00 C ATOM 1499 NZ LYS A 98 -9.334 6.225 17.118 1.00 0.00 N ATOM 0 H LYS A 98 -7.176 4.619 12.433 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.316 3.624 14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.347 1.428 13.669 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.508 1.686 15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.541 3.583 13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.838 2.515 15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.183 3.772 16.658 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.827 4.818 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.201 5.616 15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.559 4.567 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.147 6.824 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.948 5.791 17.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.601 6.807 16.665 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.005 2.226 12.007 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.047 1.325 11.335 1.00 0.00 C ATOM 1515 C GLN A 99 -2.700 1.286 12.091 1.00 0.00 C ATOM 1516 O GLN A 99 -2.288 2.290 12.701 1.00 0.00 O ATOM 1517 CB GLN A 99 -3.851 1.788 9.859 1.00 0.00 C ATOM 1518 CG GLN A 99 -2.998 0.837 8.990 1.00 0.00 C ATOM 1519 CD GLN A 99 -2.839 1.250 7.518 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -1.841 0.910 6.888 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -3.794 1.983 6.960 1.00 0.00 N ATOM 0 H GLN A 99 -5.133 3.114 11.522 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.448 0.311 11.338 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.831 1.901 9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.384 2.773 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.007 0.757 9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.444 -0.157 9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.613 2.253 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.709 2.277 5.987 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.018 0.121 12.042 1.00 0.00 N ATOM 1531 CA TYR A 100 -0.748 -0.102 12.762 1.00 0.00 C ATOM 1532 C TYR A 100 0.192 -1.040 11.967 1.00 0.00 C ATOM 1533 O TYR A 100 -0.224 -2.117 11.510 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.034 -0.679 14.183 1.00 0.00 C ATOM 1535 CG TYR A 100 -1.662 -2.096 14.238 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -2.977 -2.345 13.803 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -0.934 -3.191 14.729 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.521 -3.616 13.863 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.484 -4.455 14.787 1.00 0.00 C ATOM 1540 CZ TYR A 100 -2.775 -4.660 14.356 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.314 -5.921 14.418 1.00 0.00 O ATOM 0 H TYR A 100 -2.332 -0.687 11.504 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.241 0.857 12.867 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.097 -0.699 14.739 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.699 0.010 14.704 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.571 -1.531 13.416 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.080 -3.041 15.069 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.531 -3.788 13.523 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.903 -5.281 15.170 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.629 -6.555 14.715 1.00 0.00 H new ATOM 1551 N HIS A 101 1.452 -0.598 11.757 1.00 0.00 N ATOM 1552 CA HIS A 101 2.525 -1.455 11.213 1.00 0.00 C ATOM 1553 C HIS A 101 3.061 -2.382 12.307 1.00 0.00 C ATOM 1554 O HIS A 101 3.830 -1.968 13.181 1.00 0.00 O ATOM 1555 CB HIS A 101 3.659 -0.626 10.513 1.00 0.00 C ATOM 1556 CG HIS A 101 4.760 -1.489 9.905 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.713 -2.007 8.590 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.869 -1.984 10.523 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.776 -2.791 8.517 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.488 -2.806 9.642 1.00 0.00 N ATOM 0 H HIS A 101 1.751 0.356 11.959 1.00 0.00 H new ATOM 0 HA HIS A 101 2.097 -2.076 10.426 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.217 -0.011 9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.102 0.054 11.240 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.194 -1.762 11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.039 -3.359 7.637 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.342 -3.338 9.810 1.00 0.00 H new ATOM 1568 N CYS A 102 2.584 -3.628 12.261 1.00 0.00 N ATOM 1569 CA CYS A 102 3.069 -4.715 13.110 1.00 0.00 C ATOM 1570 C CYS A 102 4.390 -5.267 12.550 1.00 0.00 C ATOM 1571 O CYS A 102 4.486 -5.542 11.345 1.00 0.00 O ATOM 1572 CB CYS A 102 2.020 -5.827 13.162 1.00 0.00 C ATOM 1573 SG CYS A 102 2.509 -7.260 14.155 1.00 0.00 S ATOM 0 H CYS A 102 1.840 -3.913 11.624 1.00 0.00 H new ATOM 0 HA CYS A 102 3.244 -4.336 14.117 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.093 -5.419 13.565 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.807 -6.158 12.146 1.00 0.00 H new ATOM 0 HG CYS A 102 2.038 -8.344 13.614 1.00 0.00 H new ATOM 1578 N GLU A 103 5.390 -5.428 13.427 1.00 0.00 N ATOM 1579 CA GLU A 103 6.745 -5.871 13.054 1.00 0.00 C ATOM 1580 C GLU A 103 6.792 -7.386 12.750 1.00 0.00 C ATOM 1581 O GLU A 103 7.437 -7.810 11.789 1.00 0.00 O ATOM 1582 CB GLU A 103 7.735 -5.499 14.187 1.00 0.00 C ATOM 1583 CG GLU A 103 7.777 -3.985 14.499 1.00 0.00 C ATOM 1584 CD GLU A 103 8.647 -3.637 15.721 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.160 -3.789 16.863 1.00 0.00 O ATOM 1586 OE2 GLU A 103 9.811 -3.208 15.544 1.00 0.00 O ATOM 0 H GLU A 103 5.282 -5.253 14.426 1.00 0.00 H new ATOM 0 HA GLU A 103 7.037 -5.359 12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.459 -6.041 15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.735 -5.832 13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.158 -3.452 13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.761 -3.629 14.672 1.00 0.00 H new ATOM 1593 N ASN A 104 6.084 -8.185 13.570 1.00 0.00 N ATOM 1594 CA ASN A 104 6.072 -9.666 13.438 1.00 0.00 C ATOM 1595 C ASN A 104 5.266 -10.132 12.204 1.00 0.00 C ATOM 1596 O ASN A 104 5.629 -11.122 11.563 1.00 0.00 O ATOM 1597 CB ASN A 104 5.520 -10.333 14.719 1.00 0.00 C ATOM 1598 CG ASN A 104 6.406 -10.138 15.954 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.259 -9.165 16.695 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.323 -11.067 16.190 1.00 0.00 N ATOM 0 H ASN A 104 5.509 -7.834 14.336 1.00 0.00 H new ATOM 0 HA ASN A 104 7.107 -9.979 13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.529 -9.930 14.928 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.398 -11.401 14.537 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.932 -10.987 17.005 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.419 -11.861 15.557 1.00 0.00 H new ATOM 1607 N CYS A 105 4.163 -9.423 11.892 1.00 0.00 N ATOM 1608 CA CYS A 105 3.384 -9.666 10.649 1.00 0.00 C ATOM 1609 C CYS A 105 4.076 -8.977 9.446 1.00 0.00 C ATOM 1610 O CYS A 105 3.884 -9.378 8.294 1.00 0.00 O ATOM 1611 CB CYS A 105 1.918 -9.178 10.792 1.00 0.00 C ATOM 1612 SG CYS A 105 0.947 -10.023 12.091 1.00 0.00 S ATOM 0 H CYS A 105 3.787 -8.678 12.479 1.00 0.00 H new ATOM 0 HA CYS A 105 3.354 -10.741 10.472 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.926 -8.109 11.003 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.411 -9.311 9.836 1.00 0.00 H new ATOM 0 HG CYS A 105 0.362 -9.137 12.841 1.00 0.00 H new ATOM 1617 N GLY A 106 4.855 -7.912 9.745 1.00 0.00 N ATOM 1618 CA GLY A 106 5.695 -7.231 8.741 1.00 0.00 C ATOM 1619 C GLY A 106 4.927 -6.256 7.850 1.00 0.00 C ATOM 1620 O GLY A 106 5.476 -5.732 6.872 1.00 0.00 O ATOM 0 H GLY A 106 4.917 -7.507 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.490 -6.690 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.174 -7.982 8.113 1.00 0.00 H new ATOM 1624 N ILE A 107 3.655 -5.986 8.204 1.00 0.00 N ATOM 1625 CA ILE A 107 2.713 -5.209 7.366 1.00 0.00 C ATOM 1626 C ILE A 107 1.850 -4.274 8.231 1.00 0.00 C ATOM 1627 O ILE A 107 1.912 -4.306 9.466 1.00 0.00 O ATOM 1628 CB ILE A 107 1.764 -6.160 6.527 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.060 -7.196 7.475 1.00 0.00 C ATOM 1630 CG2 ILE A 107 2.532 -6.861 5.375 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.065 -8.117 6.792 1.00 0.00 C ATOM 0 H ILE A 107 3.247 -6.302 9.084 1.00 0.00 H new ATOM 0 HA ILE A 107 3.315 -4.615 6.679 1.00 0.00 H new ATOM 0 HB ILE A 107 0.992 -5.549 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.826 -7.805 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.544 -6.651 8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.849 -7.505 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.946 -6.109 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.341 -7.462 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.368 -8.795 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.727 -7.523 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.574 -8.695 6.021 1.00 0.00 H new ATOM 1643 N CYS A 108 1.040 -3.449 7.548 1.00 0.00 N ATOM 1644 CA CYS A 108 0.088 -2.518 8.170 1.00 0.00 C ATOM 1645 C CYS A 108 -1.148 -2.396 7.299 1.00 0.00 C ATOM 1646 O CYS A 108 -1.056 -1.905 6.179 1.00 0.00 O ATOM 1647 CB CYS A 108 0.722 -1.129 8.325 1.00 0.00 C ATOM 1648 SG CYS A 108 1.656 -0.599 6.882 1.00 0.00 S ATOM 0 H CYS A 108 1.029 -3.411 6.529 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.182 -2.904 9.153 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.063 -0.401 8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.382 -1.135 9.193 1.00 0.00 H new ATOM 0 HG CYS A 108 2.810 -0.134 7.259 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.295 -2.829 7.814 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.593 -2.687 7.111 1.00 0.00 C ATOM 1655 C ARG A 109 -4.660 -2.182 8.080 1.00 0.00 C ATOM 1656 O ARG A 109 -4.434 -2.148 9.299 1.00 0.00 O ATOM 1657 CB ARG A 109 -4.060 -4.004 6.409 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.241 -4.443 5.164 1.00 0.00 C ATOM 1659 CD ARG A 109 -2.973 -3.304 4.146 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.165 -2.486 3.833 1.00 0.00 N ATOM 1661 CZ ARG A 109 -4.227 -1.137 3.899 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -3.216 -0.422 4.386 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -5.323 -0.509 3.512 1.00 0.00 N ATOM 0 H ARG A 109 -2.365 -3.287 8.723 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.446 -1.955 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.031 -4.811 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.101 -3.882 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.286 -4.850 5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.773 -5.249 4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.192 -2.654 4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.590 -3.738 3.223 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.009 -2.980 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.373 -0.891 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.284 0.595 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.120 -1.042 3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.372 0.509 3.561 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.812 -1.777 7.505 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.946 -1.195 8.250 1.00 0.00 C ATOM 1679 C ILE A 110 -7.426 -2.192 9.329 1.00 0.00 C ATOM 1680 O ILE A 110 -8.057 -3.214 9.014 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.128 -0.811 7.272 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.624 0.139 6.127 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.328 -0.187 8.039 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.092 1.487 6.588 1.00 0.00 C ATOM 0 H ILE A 110 -5.982 -1.846 6.502 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.613 -0.279 8.738 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.486 -1.731 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.838 -0.373 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.445 0.310 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.120 0.064 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.705 -0.903 8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.001 0.717 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.770 2.066 5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.878 2.028 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.246 1.334 7.258 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.085 -1.887 10.585 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.249 -2.806 11.697 1.00 0.00 C ATOM 1698 C GLY A 111 -7.071 -2.056 12.983 1.00 0.00 C ATOM 1699 O GLY A 111 -5.958 -1.607 13.246 1.00 0.00 O ATOM 0 H GLY A 111 -6.685 -0.987 10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.237 -3.265 11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.520 -3.613 11.628 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.142 -1.853 13.801 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.007 -1.143 15.072 1.00 0.00 C ATOM 1705 C PRO A 112 -7.127 -1.931 16.046 1.00 0.00 C ATOM 1706 O PRO A 112 -7.475 -3.030 16.439 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.464 -0.961 15.556 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.227 -2.064 14.891 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.540 -2.305 13.562 1.00 0.00 C ATOM 0 HA PRO A 112 -7.505 -0.179 14.985 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.532 -1.031 16.642 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -9.855 0.017 15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.221 -2.966 15.503 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.270 -1.784 14.746 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.578 -3.356 13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.012 -1.739 12.759 1.00 0.00 H new ATOM 1717 N LYS A 113 -5.965 -1.349 16.378 1.00 0.00 N ATOM 1718 CA LYS A 113 -4.926 -1.973 17.230 1.00 0.00 C ATOM 1719 C LYS A 113 -5.465 -2.323 18.640 1.00 0.00 C ATOM 1720 O LYS A 113 -4.922 -3.189 19.334 1.00 0.00 O ATOM 1721 CB LYS A 113 -3.693 -1.027 17.310 1.00 0.00 C ATOM 1722 CG LYS A 113 -3.952 0.331 18.019 1.00 0.00 C ATOM 1723 CD LYS A 113 -2.970 1.448 17.579 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.177 1.864 16.110 1.00 0.00 C ATOM 1725 NZ LYS A 113 -2.304 2.989 15.695 1.00 0.00 N ATOM 0 H LYS A 113 -5.711 -0.414 16.059 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.624 -2.917 16.776 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.890 -1.545 17.833 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.339 -0.830 16.298 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.973 0.652 17.813 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.873 0.191 19.097 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.101 2.318 18.222 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.945 1.102 17.715 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.985 1.006 15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.219 2.147 15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.133 2.936 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.769 3.891 15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.397 2.929 16.201 1.00 0.00 H new ATOM 1739 N GLU A 114 -6.520 -1.601 19.050 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.274 -1.860 20.284 1.00 0.00 C ATOM 1741 C GLU A 114 -7.995 -3.233 20.227 1.00 0.00 C ATOM 1742 O GLU A 114 -7.994 -3.975 21.213 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.281 -0.693 20.580 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.153 -0.210 19.379 1.00 0.00 C ATOM 1745 CD GLU A 114 -8.592 1.037 18.639 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -7.599 0.915 17.890 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -9.151 2.145 18.804 1.00 0.00 O ATOM 0 H GLU A 114 -6.879 -0.806 18.522 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.563 -1.902 21.109 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.948 -1.012 21.381 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.716 0.159 20.957 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.251 -1.028 18.665 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.155 0.018 19.742 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.593 -3.569 19.071 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.307 -4.856 18.874 1.00 0.00 C ATOM 1756 C ASP A 115 -8.330 -5.972 18.460 1.00 0.00 C ATOM 1757 O ASP A 115 -8.338 -7.071 19.025 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.416 -4.698 17.805 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.555 -3.767 18.255 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.445 -2.534 18.078 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -12.571 -4.266 18.783 1.00 0.00 O ATOM 0 H ASP A 115 -8.599 -2.966 18.249 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.765 -5.136 19.823 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -9.976 -4.308 16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.828 -5.679 17.569 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.512 -5.671 17.449 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.518 -6.590 16.893 1.00 0.00 C ATOM 1768 C PHE A 116 -5.163 -6.361 17.581 1.00 0.00 C ATOM 1769 O PHE A 116 -4.569 -5.291 17.463 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.393 -6.381 15.362 1.00 0.00 C ATOM 1771 CG PHE A 116 -7.655 -6.735 14.576 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -8.662 -5.790 14.373 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -7.831 -8.012 14.038 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -9.803 -6.111 13.659 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -8.971 -8.330 13.323 1.00 0.00 C ATOM 1776 CZ PHE A 116 -9.956 -7.379 13.132 1.00 0.00 C ATOM 0 H PHE A 116 -7.523 -4.763 16.985 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.837 -7.617 17.073 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -6.138 -5.339 15.169 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.566 -6.986 14.990 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.549 -4.795 14.778 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.066 -8.761 14.182 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.575 -5.370 13.514 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.092 -9.322 12.913 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.845 -7.627 12.571 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.665 -7.407 18.234 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.421 -7.393 19.015 1.00 0.00 C ATOM 1788 C PHE A 117 -2.522 -8.524 18.507 1.00 0.00 C ATOM 1789 O PHE A 117 -3.026 -9.546 18.016 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.748 -7.601 20.530 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.404 -8.958 20.864 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.775 -9.153 20.686 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.639 -10.038 21.321 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.359 -10.377 20.957 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.226 -11.260 21.586 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.586 -11.430 21.406 1.00 0.00 C ATOM 0 H PHE A 117 -5.126 -8.317 18.238 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.912 -6.436 18.901 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.826 -7.507 21.104 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.411 -6.801 20.859 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.388 -8.337 20.332 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.576 -9.914 21.468 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.422 -10.510 20.817 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.621 -12.084 21.934 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.044 -12.385 21.616 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.197 -8.356 18.602 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.262 -9.439 18.259 1.00 0.00 C ATOM 1808 C HIS A 118 0.037 -10.264 19.524 1.00 0.00 C ATOM 1809 O HIS A 118 0.224 -9.711 20.616 1.00 0.00 O ATOM 1810 CB HIS A 118 1.044 -8.901 17.615 1.00 0.00 C ATOM 1811 CG HIS A 118 1.829 -9.994 16.922 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.555 -10.330 15.616 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.752 -10.846 17.415 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.291 -11.397 15.379 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.032 -11.743 16.431 1.00 0.00 N ATOM 0 H HIS A 118 -0.751 -7.492 18.910 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.730 -10.079 17.511 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.798 -8.120 16.896 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.665 -8.442 18.384 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.186 -10.821 18.404 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.293 -11.930 14.440 1.00 0.00 H new ATOM 0 HE2 HIS A 118 3.682 -12.527 16.488 1.00 0.00 H new ATOM 1823 N CYS A 119 0.066 -11.584 19.354 1.00 0.00 N ATOM 1824 CA CYS A 119 0.286 -12.547 20.446 1.00 0.00 C ATOM 1825 C CYS A 119 1.759 -13.021 20.426 1.00 0.00 C ATOM 1826 O CYS A 119 2.324 -13.187 19.339 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.722 -13.707 20.251 1.00 0.00 C ATOM 1828 SG CYS A 119 -0.515 -15.174 21.309 1.00 0.00 S ATOM 0 H CYS A 119 -0.064 -12.027 18.444 1.00 0.00 H new ATOM 0 HA CYS A 119 0.117 -12.101 21.426 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.726 -13.313 20.412 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.669 -14.030 19.211 1.00 0.00 H new ATOM 0 HG CYS A 119 0.406 -15.943 20.809 1.00 0.00 H new ATOM 1833 N LEU A 120 2.380 -13.214 21.620 1.00 0.00 N ATOM 1834 CA LEU A 120 3.808 -13.640 21.738 1.00 0.00 C ATOM 1835 C LEU A 120 4.074 -14.986 21.011 1.00 0.00 C ATOM 1836 O LEU A 120 5.104 -15.159 20.345 1.00 0.00 O ATOM 1837 CB LEU A 120 4.291 -13.700 23.228 1.00 0.00 C ATOM 1838 CG LEU A 120 3.570 -14.700 24.205 1.00 0.00 C ATOM 1839 CD1 LEU A 120 4.428 -14.969 25.466 1.00 0.00 C ATOM 1840 CD2 LEU A 120 2.170 -14.192 24.623 1.00 0.00 C ATOM 0 H LEU A 120 1.916 -13.082 22.519 1.00 0.00 H new ATOM 0 HA LEU A 120 4.398 -12.872 21.238 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.353 -13.946 23.224 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.198 -12.699 23.648 1.00 0.00 H new ATOM 0 HG LEU A 120 3.443 -15.634 23.658 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.903 -15.664 26.122 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.384 -15.401 25.170 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.602 -14.032 25.995 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.708 -14.913 25.297 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.268 -13.232 25.130 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.547 -14.073 23.737 1.00 0.00 H new ATOM 1852 N LYS A 121 3.138 -15.935 21.164 1.00 0.00 N ATOM 1853 CA LYS A 121 3.010 -17.108 20.270 1.00 0.00 C ATOM 1854 C LYS A 121 2.005 -16.746 19.162 1.00 0.00 C ATOM 1855 O LYS A 121 1.300 -15.769 19.315 1.00 0.00 O ATOM 1856 CB LYS A 121 2.519 -18.339 21.074 1.00 0.00 C ATOM 1857 CG LYS A 121 3.414 -18.727 22.273 1.00 0.00 C ATOM 1858 CD LYS A 121 4.824 -19.192 21.847 1.00 0.00 C ATOM 1859 CE LYS A 121 5.740 -19.500 23.042 1.00 0.00 C ATOM 1860 NZ LYS A 121 7.065 -20.006 22.601 1.00 0.00 N ATOM 0 H LYS A 121 2.444 -15.915 21.912 1.00 0.00 H new ATOM 0 HA LYS A 121 3.974 -17.363 19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.512 -18.139 21.440 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.449 -19.192 20.399 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.506 -17.872 22.942 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.930 -19.523 22.838 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.735 -20.083 21.225 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.285 -18.419 21.232 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.875 -18.598 23.639 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.263 -20.240 23.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.656 -20.203 23.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.938 -20.880 22.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.530 -19.290 22.008 1.00 0.00 H new ATOM 1874 N CYS A 122 1.914 -17.536 18.075 1.00 0.00 N ATOM 1875 CA CYS A 122 1.032 -17.230 16.912 1.00 0.00 C ATOM 1876 C CYS A 122 1.591 -16.007 16.130 1.00 0.00 C ATOM 1877 O CYS A 122 1.562 -14.870 16.631 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.457 -16.958 17.340 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.106 -18.055 18.653 1.00 0.00 S ATOM 0 H CYS A 122 2.443 -18.402 17.970 1.00 0.00 H new ATOM 0 HA CYS A 122 1.027 -18.111 16.270 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.537 -15.925 17.680 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -1.094 -17.055 16.461 1.00 0.00 H new ATOM 0 HG CYS A 122 -1.098 -17.423 19.789 1.00 0.00 H new ATOM 1884 N ASN A 123 2.062 -16.238 14.892 1.00 0.00 N ATOM 1885 CA ASN A 123 2.670 -15.186 14.027 1.00 0.00 C ATOM 1886 C ASN A 123 1.620 -14.215 13.419 1.00 0.00 C ATOM 1887 O ASN A 123 1.978 -13.315 12.647 1.00 0.00 O ATOM 1888 CB ASN A 123 3.536 -15.845 12.900 1.00 0.00 C ATOM 1889 CG ASN A 123 2.799 -16.875 12.019 1.00 0.00 C ATOM 1890 OD1 ASN A 123 1.590 -16.802 11.804 1.00 0.00 O ATOM 1891 ND2 ASN A 123 3.534 -17.857 11.504 1.00 0.00 N ATOM 0 H ASN A 123 2.036 -17.158 14.453 1.00 0.00 H new ATOM 0 HA ASN A 123 3.311 -14.581 14.668 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.928 -15.056 12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.393 -16.334 13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.096 -18.568 10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.535 -17.899 11.695 1.00 0.00 H new ATOM 1898 N LEU A 124 0.339 -14.383 13.798 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.784 -13.550 13.314 1.00 0.00 C ATOM 1900 C LEU A 124 -1.194 -12.522 14.395 1.00 0.00 C ATOM 1901 O LEU A 124 -0.879 -12.689 15.582 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.995 -14.471 12.961 1.00 0.00 C ATOM 1903 CG LEU A 124 -3.236 -13.782 12.295 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -2.892 -13.204 10.902 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -4.444 -14.745 12.220 1.00 0.00 C ATOM 0 H LEU A 124 0.049 -15.107 14.455 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.470 -13.006 12.423 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.642 -15.255 12.291 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.328 -14.960 13.876 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.519 -12.945 12.933 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.778 -12.735 10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.101 -12.461 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.555 -14.008 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.287 -14.236 11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.176 -15.620 11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.722 -15.059 13.226 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.857 -11.434 13.960 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.588 -10.524 14.861 1.00 0.00 C ATOM 1919 C CYS A 125 -4.029 -11.035 15.023 1.00 0.00 C ATOM 1920 O CYS A 125 -4.786 -11.115 14.047 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.594 -9.076 14.326 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.124 -8.110 14.764 1.00 0.00 S ATOM 0 H CYS A 125 -1.901 -11.162 12.978 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.083 -10.511 15.827 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.686 -9.103 13.240 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.477 -8.564 14.708 1.00 0.00 H new ATOM 0 HG CYS A 125 -0.152 -8.916 15.075 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.388 -11.369 16.263 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.707 -11.915 16.612 1.00 0.00 C ATOM 1929 C LEU A 126 -6.636 -10.778 17.050 1.00 0.00 C ATOM 1930 O LEU A 126 -6.162 -9.742 17.498 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.583 -12.958 17.765 1.00 0.00 C ATOM 1932 CG LEU A 126 -4.655 -14.193 17.511 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -4.963 -14.887 16.174 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.157 -13.843 17.634 1.00 0.00 C ATOM 0 H LEU A 126 -3.766 -11.268 17.065 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.120 -12.411 15.734 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.221 -12.440 18.653 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.582 -13.327 17.996 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.879 -14.906 18.304 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.294 -15.737 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.996 -15.235 16.174 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.818 -14.181 15.356 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.559 -14.735 17.449 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.901 -13.076 16.903 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.952 -13.471 18.638 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.946 -10.992 16.931 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.968 -10.066 17.464 1.00 0.00 C ATOM 1948 C ALA A 127 -9.326 -10.468 18.905 1.00 0.00 C ATOM 1949 O ALA A 127 -9.039 -11.598 19.327 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.214 -10.083 16.565 1.00 0.00 C ATOM 0 H ALA A 127 -8.338 -11.810 16.464 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.570 -9.051 17.474 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.961 -9.398 16.966 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.940 -9.772 15.557 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.626 -11.092 16.534 1.00 0.00 H new ATOM 1956 N MET A 128 -9.939 -9.539 19.663 1.00 0.00 N ATOM 1957 CA MET A 128 -10.449 -9.824 21.027 1.00 0.00 C ATOM 1958 C MET A 128 -11.569 -10.895 21.000 1.00 0.00 C ATOM 1959 O MET A 128 -11.809 -11.575 21.994 1.00 0.00 O ATOM 1960 CB MET A 128 -10.952 -8.524 21.711 1.00 0.00 C ATOM 1961 CG MET A 128 -9.857 -7.478 21.967 1.00 0.00 C ATOM 1962 SD MET A 128 -8.538 -8.107 23.030 1.00 0.00 S ATOM 1963 CE MET A 128 -7.407 -6.717 23.070 1.00 0.00 C ATOM 0 H MET A 128 -10.096 -8.579 19.356 1.00 0.00 H new ATOM 0 HA MET A 128 -9.620 -10.223 21.612 1.00 0.00 H new ATOM 0 HB2 MET A 128 -11.727 -8.076 21.088 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.418 -8.785 22.661 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.432 -7.160 21.015 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.302 -6.596 22.428 1.00 0.00 H new ATOM 0 HE1 MET A 128 -6.546 -6.966 23.691 1.00 0.00 H new ATOM 0 HE2 MET A 128 -7.071 -6.492 22.058 1.00 0.00 H new ATOM 0 HE3 MET A 128 -7.915 -5.847 23.486 1.00 0.00 H new