USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=40 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 -77:sc= 0.394 USER MOD Set 1.2: A 122 CYS SG : rot 44:sc= -0.594! USER MOD Set 2.1: A 85 TYR OH : rot 73:sc= -0.658 USER MOD Set 2.2: A 87 CYS SG : rot -128:sc= 0.426 USER MOD Set 2.3: A 90 CYS SG : rot -55:sc= 0.923 USER MOD Set 2.4: A 101 HIS : no HE2:sc= -0.134 K(o=-0.67,f=-1.3) USER MOD Set 2.5: A 108 CYS SG : rot -55:sc= -1.22 USER MOD Set 3.1: A 102 CYS SG : rot -93:sc= -0.297 USER MOD Set 3.2: A 104 ASN : amide:sc= -0.0842 K(o=0.98,f=-2.1) USER MOD Set 3.3: A 105 CYS SG : rot 50:sc= 0.958 USER MOD Set 3.4: A 118 HIS : no HE2:sc= 0.0521 K(o=0.98,f=-0.39) USER MOD Set 3.5: A 125 CYS SG : rot -139:sc= 0.351 USER MOD Set 4.1: A 62 CYS SG : rot 168:sc= -0.28 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.773 X(o=-4.9,f=-5.1) USER MOD Set 4.3: A 65 CYS SG : rot -57:sc= 0.54 USER MOD Set 4.4: A 69 GLN : amide:sc= -4.29 K(o=-4.9,f=-3.8!) USER MOD Set 4.5: A 75 CYS SG : rot -140:sc= -2.27! USER MOD Set 4.6: A 78 CYS SG : rot 51:sc= -0.291! USER MOD Set 4.7: A 80 THR OG1 : rot 106:sc= 0.923! USER MOD Set 5.1: A 36 LYS NZ :NH3+ -174:sc= -0.53 (180deg=-1.71!) USER MOD Set 5.2: A 38 TYR OH : rot 29:sc= 0.595 USER MOD Set 6.1: A 33 CYS SG : rot 54:sc= -2.62! USER MOD Set 6.2: A 34 CYS SG : rot -143:sc= 1.3 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -2 K(o=-3.2,f=-5.3) USER MOD Set 6.4: A 50 HIS : no HD1:sc= 0.0977 K(o=-3.2,f=-4.4) USER MOD Set 7.1: A 20 CYS SG : rot -37:sc= 1.26 USER MOD Set 7.2: A 22 HIS : no HD1:sc= 0.263 K(o=-2.8,f=-3.4) USER MOD Set 7.3: A 40 CYS SG : rot 169:sc= -4.35! USER MOD Set 7.4: A 43 CYS SG : rot 79:sc= 0.0459 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -3.28! USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0.651 (180deg=-0.247) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.028) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.12) USER MOD Single : A 61 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.4!) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 1.7 (180deg=1.27) USER MOD Single : A 70 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.693 K(o=-0.69,f=-6.4!) USER MOD Single : A 73 GLN : amide:sc= -0.688 X(o=-0.69,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.477 K(o=-0.48,f=-2.4) USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.0275) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= -0.0027 (180deg=-0.104) USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= 0.895 (180deg=0.574) USER MOD Single : A 99 GLN : amide:sc= -0.805 K(o=-0.81,f=-2!) USER MOD Single : A 100 TYR OH : rot 120:sc= -1.12 USER MOD Single : A 113 LYS NZ :NH3+ 158:sc= 0.0819 (180deg=0.0102) USER MOD Single : A 121 LYS NZ :NH3+ 170:sc= -0.0039 (180deg=-0.127) USER MOD Single : A 123 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.9!) USER MOD Single : A 128 MET CE :methyl 170:sc= -0.358 (180deg=-0.699) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.378 8.771 -9.255 1.00 0.00 N ATOM 232 CA ARG A 18 -7.988 8.553 -8.827 1.00 0.00 C ATOM 233 C ARG A 18 -7.997 7.670 -7.567 1.00 0.00 C ATOM 234 O ARG A 18 -8.045 8.149 -6.426 1.00 0.00 O ATOM 235 CB ARG A 18 -7.183 9.879 -8.628 1.00 0.00 C ATOM 236 CG ARG A 18 -7.804 10.967 -7.712 1.00 0.00 C ATOM 237 CD ARG A 18 -8.929 11.768 -8.385 1.00 0.00 C ATOM 238 NE ARG A 18 -9.486 12.794 -7.488 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.233 13.843 -7.875 1.00 0.00 C ATOM 240 NH1 ARG A 18 -10.554 14.014 -9.151 1.00 0.00 N ATOM 241 NH2 ARG A 18 -10.666 14.711 -6.977 1.00 0.00 N ATOM 0 HA ARG A 18 -7.456 8.038 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.204 9.620 -8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.017 10.322 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.195 10.493 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.020 11.654 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.546 12.244 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.722 11.088 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.289 12.702 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.234 13.345 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.121 14.814 -9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.433 14.585 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.233 15.507 -7.269 1.00 0.00 H new ATOM 255 N GLY A 19 -7.994 6.363 -7.817 1.00 0.00 N ATOM 256 CA GLY A 19 -8.135 5.343 -6.793 1.00 0.00 C ATOM 257 C GLY A 19 -8.798 4.088 -7.340 1.00 0.00 C ATOM 258 O GLY A 19 -8.959 3.931 -8.557 1.00 0.00 O ATOM 0 H GLY A 19 -7.891 5.981 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.153 5.091 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.726 5.736 -5.966 1.00 0.00 H new ATOM 262 N CYS A 20 -9.174 3.203 -6.421 1.00 0.00 N ATOM 263 CA CYS A 20 -9.830 1.921 -6.714 1.00 0.00 C ATOM 264 C CYS A 20 -10.521 1.476 -5.416 1.00 0.00 C ATOM 265 O CYS A 20 -9.968 1.682 -4.339 1.00 0.00 O ATOM 266 CB CYS A 20 -8.775 0.885 -7.196 1.00 0.00 C ATOM 267 SG CYS A 20 -9.420 -0.721 -7.770 1.00 0.00 S ATOM 0 H CYS A 20 -9.029 3.357 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.565 2.012 -7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.202 1.333 -8.008 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.078 0.701 -6.378 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.430 -1.072 -7.031 1.00 0.00 H new ATOM 272 N GLU A 21 -11.728 0.885 -5.513 1.00 0.00 N ATOM 273 CA GLU A 21 -12.562 0.496 -4.329 1.00 0.00 C ATOM 274 C GLU A 21 -11.828 -0.433 -3.323 1.00 0.00 C ATOM 275 O GLU A 21 -12.228 -0.522 -2.161 1.00 0.00 O ATOM 276 CB GLU A 21 -13.907 -0.155 -4.789 1.00 0.00 C ATOM 277 CG GLU A 21 -13.805 -1.542 -5.468 1.00 0.00 C ATOM 278 CD GLU A 21 -12.917 -1.563 -6.727 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.351 -1.063 -7.788 1.00 0.00 O ATOM 280 OE2 GLU A 21 -11.769 -2.056 -6.650 1.00 0.00 O ATOM 0 H GLU A 21 -12.163 0.659 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.769 1.423 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.556 -0.248 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.398 0.529 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.412 -2.259 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.807 -1.877 -5.737 1.00 0.00 H new ATOM 287 N HIS A 22 -10.770 -1.123 -3.789 1.00 0.00 N ATOM 288 CA HIS A 22 -9.891 -1.937 -2.933 1.00 0.00 C ATOM 289 C HIS A 22 -9.050 -1.049 -1.981 1.00 0.00 C ATOM 290 O HIS A 22 -9.001 -1.286 -0.774 1.00 0.00 O ATOM 291 CB HIS A 22 -8.951 -2.801 -3.813 1.00 0.00 C ATOM 292 CG HIS A 22 -9.645 -3.806 -4.698 1.00 0.00 C ATOM 293 ND1 HIS A 22 -9.386 -3.875 -6.044 1.00 0.00 N ATOM 294 CD2 HIS A 22 -10.550 -4.765 -4.377 1.00 0.00 C ATOM 295 CE1 HIS A 22 -10.124 -4.867 -6.509 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.847 -5.436 -5.535 1.00 0.00 N ATOM 0 H HIS A 22 -10.501 -1.131 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.520 -2.585 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.356 -2.138 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.257 -3.332 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.958 -4.962 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.142 -5.180 -7.543 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.494 -6.218 -5.636 1.00 0.00 H new ATOM 304 N TYR A 23 -8.366 -0.035 -2.556 1.00 0.00 N ATOM 305 CA TYR A 23 -7.478 0.891 -1.808 1.00 0.00 C ATOM 306 C TYR A 23 -7.687 2.325 -2.325 1.00 0.00 C ATOM 307 O TYR A 23 -7.461 2.595 -3.514 1.00 0.00 O ATOM 308 CB TYR A 23 -5.980 0.525 -1.985 1.00 0.00 C ATOM 309 CG TYR A 23 -5.562 -0.891 -1.567 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.677 -1.948 -2.460 1.00 0.00 C ATOM 311 CD2 TYR A 23 -5.029 -1.164 -0.301 1.00 0.00 C ATOM 312 CE1 TYR A 23 -5.289 -3.218 -2.125 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.640 -2.449 0.040 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.771 -3.471 -0.879 1.00 0.00 C ATOM 315 OH TYR A 23 -4.371 -4.746 -0.561 1.00 0.00 O ATOM 0 H TYR A 23 -8.413 0.167 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.734 0.810 -0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.718 0.661 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.386 1.238 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.083 -1.764 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.920 -0.364 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.390 -4.020 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.236 -2.651 1.021 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.026 -4.761 0.356 1.00 0.00 H new ATOM 325 N ASP A 24 -8.100 3.230 -1.432 1.00 0.00 N ATOM 326 CA ASP A 24 -8.354 4.642 -1.768 1.00 0.00 C ATOM 327 C ASP A 24 -7.032 5.433 -1.753 1.00 0.00 C ATOM 328 O ASP A 24 -6.560 5.840 -0.678 1.00 0.00 O ATOM 329 CB ASP A 24 -9.355 5.257 -0.739 1.00 0.00 C ATOM 330 CG ASP A 24 -9.944 6.633 -1.107 1.00 0.00 C ATOM 331 OD1 ASP A 24 -9.957 7.003 -2.300 1.00 0.00 O ATOM 332 OD2 ASP A 24 -10.441 7.339 -0.194 1.00 0.00 O ATOM 0 H ASP A 24 -8.269 3.007 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.788 4.699 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.179 4.557 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.848 5.346 0.222 1.00 0.00 H new ATOM 337 N ARG A 25 -6.398 5.591 -2.932 1.00 0.00 N ATOM 338 CA ARG A 25 -5.222 6.466 -3.075 1.00 0.00 C ATOM 339 C ARG A 25 -5.186 7.111 -4.455 1.00 0.00 C ATOM 340 O ARG A 25 -5.546 6.476 -5.451 1.00 0.00 O ATOM 341 CB ARG A 25 -3.878 5.735 -2.780 1.00 0.00 C ATOM 342 CG ARG A 25 -3.472 4.562 -3.707 1.00 0.00 C ATOM 343 CD ARG A 25 -3.965 3.194 -3.216 1.00 0.00 C ATOM 344 NE ARG A 25 -3.455 2.852 -1.876 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.693 1.787 -1.564 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.210 0.992 -2.518 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.411 1.533 -0.292 1.00 0.00 N ATOM 0 H ARG A 25 -6.681 5.125 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.329 7.246 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.080 6.477 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.921 5.355 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.868 4.745 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.386 4.538 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.055 3.191 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.656 2.426 -3.925 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.703 3.482 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.416 1.187 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.634 0.188 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.771 2.143 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.834 0.728 -0.048 1.00 0.00 H new ATOM 361 N GLY A 26 -4.696 8.360 -4.510 1.00 0.00 N ATOM 362 CA GLY A 26 -4.480 9.068 -5.770 1.00 0.00 C ATOM 363 C GLY A 26 -3.148 8.706 -6.426 1.00 0.00 C ATOM 364 O GLY A 26 -2.495 9.573 -7.029 1.00 0.00 O ATOM 0 H GLY A 26 -4.441 8.900 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.294 8.836 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.512 10.142 -5.589 1.00 0.00 H new ATOM 368 N CYS A 27 -2.745 7.411 -6.326 1.00 0.00 N ATOM 369 CA CYS A 27 -1.488 6.904 -6.899 1.00 0.00 C ATOM 370 C CYS A 27 -1.634 5.446 -7.372 1.00 0.00 C ATOM 371 O CYS A 27 -2.515 4.703 -6.918 1.00 0.00 O ATOM 372 CB CYS A 27 -0.321 7.011 -5.888 1.00 0.00 C ATOM 373 SG CYS A 27 -0.541 6.054 -4.368 1.00 0.00 S ATOM 0 H CYS A 27 -3.290 6.696 -5.844 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.259 7.530 -7.762 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.596 6.683 -6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.183 8.059 -5.623 1.00 0.00 H new ATOM 0 HG CYS A 27 0.495 6.217 -3.599 1.00 0.00 H new ATOM 379 N LEU A 28 -0.772 5.078 -8.332 1.00 0.00 N ATOM 380 CA LEU A 28 -0.607 3.711 -8.826 1.00 0.00 C ATOM 381 C LEU A 28 0.786 3.214 -8.410 1.00 0.00 C ATOM 382 O LEU A 28 1.766 3.922 -8.633 1.00 0.00 O ATOM 383 CB LEU A 28 -0.706 3.684 -10.375 1.00 0.00 C ATOM 384 CG LEU A 28 -2.009 4.269 -11.021 1.00 0.00 C ATOM 385 CD1 LEU A 28 -1.891 4.381 -12.548 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.247 3.452 -10.659 1.00 0.00 C ATOM 0 H LEU A 28 -0.155 5.745 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.388 3.076 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.146 4.232 -10.777 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.602 2.649 -10.702 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.126 5.271 -10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.815 4.791 -12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.060 5.039 -12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.714 3.393 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.125 3.895 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.124 2.428 -11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.377 3.449 -9.577 1.00 0.00 H new ATOM 398 N LEU A 29 0.865 2.012 -7.820 1.00 0.00 N ATOM 399 CA LEU A 29 2.157 1.366 -7.479 1.00 0.00 C ATOM 400 C LEU A 29 2.936 1.079 -8.778 1.00 0.00 C ATOM 401 O LEU A 29 2.504 0.239 -9.589 1.00 0.00 O ATOM 402 CB LEU A 29 1.959 0.038 -6.663 1.00 0.00 C ATOM 403 CG LEU A 29 1.709 0.173 -5.115 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.387 0.898 -4.792 1.00 0.00 C ATOM 405 CD2 LEU A 29 1.770 -1.214 -4.413 1.00 0.00 C ATOM 0 H LEU A 29 0.047 1.458 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 29 2.721 2.050 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.116 -0.501 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.843 -0.583 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 29 2.514 0.793 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.263 0.964 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.409 1.901 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.447 0.341 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.594 -1.089 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.006 -1.868 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.753 -1.658 -4.569 1.00 0.00 H new ATOM 417 N LYS A 30 4.045 1.817 -8.987 1.00 0.00 N ATOM 418 CA LYS A 30 4.916 1.619 -10.150 1.00 0.00 C ATOM 419 C LYS A 30 5.728 0.339 -9.956 1.00 0.00 C ATOM 420 O LYS A 30 6.667 0.303 -9.150 1.00 0.00 O ATOM 421 CB LYS A 30 5.846 2.830 -10.382 1.00 0.00 C ATOM 422 CG LYS A 30 6.655 2.717 -11.685 1.00 0.00 C ATOM 423 CD LYS A 30 7.543 3.937 -11.958 1.00 0.00 C ATOM 424 CE LYS A 30 8.293 3.787 -13.279 1.00 0.00 C ATOM 425 NZ LYS A 30 9.314 4.856 -13.464 1.00 0.00 N ATOM 0 H LYS A 30 4.355 2.558 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 30 4.293 1.525 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.249 3.742 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.532 2.922 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.280 1.825 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.968 2.583 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.930 4.838 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.256 4.061 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.779 2.812 -13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.582 3.817 -14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.077 4.505 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.871 5.687 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.708 5.124 -12.539 1.00 0.00 H new ATOM 439 N ALA A 31 5.333 -0.702 -10.694 1.00 0.00 N ATOM 440 CA ALA A 31 5.894 -2.046 -10.582 1.00 0.00 C ATOM 441 C ALA A 31 7.011 -2.219 -11.617 1.00 0.00 C ATOM 442 O ALA A 31 6.708 -2.494 -12.774 1.00 0.00 O ATOM 443 CB ALA A 31 4.783 -3.097 -10.778 1.00 0.00 C ATOM 0 H ALA A 31 4.600 -0.630 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 31 6.319 -2.188 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.209 -4.097 -10.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.017 -2.963 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.337 -2.975 -11.765 1.00 0.00 H new ATOM 449 N PRO A 32 8.323 -2.101 -11.214 1.00 0.00 N ATOM 450 CA PRO A 32 9.473 -2.143 -12.164 1.00 0.00 C ATOM 451 C PRO A 32 9.707 -3.558 -12.738 1.00 0.00 C ATOM 452 O PRO A 32 10.540 -3.752 -13.622 1.00 0.00 O ATOM 453 CB PRO A 32 10.660 -1.674 -11.286 1.00 0.00 C ATOM 454 CG PRO A 32 10.297 -2.139 -9.910 1.00 0.00 C ATOM 455 CD PRO A 32 8.795 -1.970 -9.803 1.00 0.00 C ATOM 0 HA PRO A 32 9.317 -1.522 -13.046 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.601 -2.111 -11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.781 -0.591 -11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.586 -3.179 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.812 -1.552 -9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.351 -2.730 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.530 -1.001 -9.380 1.00 0.00 H new ATOM 463 N CYS A 33 8.942 -4.532 -12.209 1.00 0.00 N ATOM 464 CA CYS A 33 8.931 -5.920 -12.676 1.00 0.00 C ATOM 465 C CYS A 33 8.349 -6.040 -14.103 1.00 0.00 C ATOM 466 O CYS A 33 8.594 -7.028 -14.797 1.00 0.00 O ATOM 467 CB CYS A 33 8.097 -6.736 -11.686 1.00 0.00 C ATOM 468 SG CYS A 33 6.462 -6.006 -11.368 1.00 0.00 S ATOM 0 H CYS A 33 8.304 -4.367 -11.430 1.00 0.00 H new ATOM 0 HA CYS A 33 9.953 -6.297 -12.724 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.969 -7.747 -12.073 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.640 -6.822 -10.745 1.00 0.00 H new ATOM 0 HG CYS A 33 5.845 -5.816 -12.496 1.00 0.00 H new ATOM 473 N CYS A 34 7.550 -5.037 -14.506 1.00 0.00 N ATOM 474 CA CYS A 34 6.995 -4.932 -15.876 1.00 0.00 C ATOM 475 C CYS A 34 6.743 -3.459 -16.267 1.00 0.00 C ATOM 476 O CYS A 34 6.167 -3.195 -17.324 1.00 0.00 O ATOM 477 CB CYS A 34 5.699 -5.775 -15.988 1.00 0.00 C ATOM 478 SG CYS A 34 4.501 -5.460 -14.661 1.00 0.00 S ATOM 0 H CYS A 34 7.267 -4.272 -13.893 1.00 0.00 H new ATOM 0 HA CYS A 34 7.728 -5.329 -16.579 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.225 -5.570 -16.948 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.963 -6.832 -15.982 1.00 0.00 H new ATOM 0 HG CYS A 34 3.911 -6.572 -14.336 1.00 0.00 H new ATOM 483 N ASP A 35 7.213 -2.516 -15.407 1.00 0.00 N ATOM 484 CA ASP A 35 7.060 -1.042 -15.574 1.00 0.00 C ATOM 485 C ASP A 35 5.583 -0.597 -15.641 1.00 0.00 C ATOM 486 O ASP A 35 5.282 0.493 -16.144 1.00 0.00 O ATOM 487 CB ASP A 35 7.869 -0.526 -16.802 1.00 0.00 C ATOM 488 CG ASP A 35 9.375 -0.787 -16.656 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.049 -0.018 -15.934 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.886 -1.773 -17.225 1.00 0.00 O ATOM 0 H ASP A 35 7.721 -2.764 -14.558 1.00 0.00 H new ATOM 0 HA ASP A 35 7.477 -0.582 -14.678 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.504 -1.013 -17.706 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.698 0.543 -16.924 1.00 0.00 H new ATOM 495 N LYS A 36 4.674 -1.416 -15.074 1.00 0.00 N ATOM 496 CA LYS A 36 3.215 -1.186 -15.161 1.00 0.00 C ATOM 497 C LYS A 36 2.656 -0.600 -13.848 1.00 0.00 C ATOM 498 O LYS A 36 3.174 -0.860 -12.758 1.00 0.00 O ATOM 499 CB LYS A 36 2.482 -2.492 -15.566 1.00 0.00 C ATOM 500 CG LYS A 36 2.893 -3.042 -16.959 1.00 0.00 C ATOM 501 CD LYS A 36 1.922 -4.110 -17.534 1.00 0.00 C ATOM 502 CE LYS A 36 0.662 -3.508 -18.205 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.174 -2.689 -17.282 1.00 0.00 N ATOM 0 H LYS A 36 4.927 -2.251 -14.546 1.00 0.00 H new ATOM 0 HA LYS A 36 3.033 -0.445 -15.940 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.679 -3.255 -14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.407 -2.310 -15.562 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.958 -2.211 -17.661 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.890 -3.476 -16.886 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.456 -4.719 -18.264 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.611 -4.777 -16.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.970 -2.889 -19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.055 -4.318 -18.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.048 -2.403 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.413 -3.250 -16.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.355 -1.841 -16.994 1.00 0.00 H new ATOM 517 N LEU A 37 1.571 0.183 -13.992 1.00 0.00 N ATOM 518 CA LEU A 37 1.031 1.072 -12.945 1.00 0.00 C ATOM 519 C LEU A 37 -0.350 0.562 -12.463 1.00 0.00 C ATOM 520 O LEU A 37 -1.292 0.507 -13.261 1.00 0.00 O ATOM 521 CB LEU A 37 0.878 2.518 -13.528 1.00 0.00 C ATOM 522 CG LEU A 37 2.165 3.310 -13.962 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.181 3.403 -12.816 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.809 2.754 -15.252 1.00 0.00 C ATOM 0 H LEU A 37 1.033 0.216 -14.858 1.00 0.00 H new ATOM 0 HA LEU A 37 1.717 1.081 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.224 2.454 -14.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.359 3.119 -12.782 1.00 0.00 H new ATOM 0 HG LEU A 37 1.837 4.322 -14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.058 3.957 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.728 3.919 -11.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.480 2.400 -12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.693 3.342 -15.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.097 1.714 -15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.092 2.813 -16.071 1.00 0.00 H new ATOM 536 N TYR A 38 -0.473 0.190 -11.159 1.00 0.00 N ATOM 537 CA TYR A 38 -1.745 -0.339 -10.571 1.00 0.00 C ATOM 538 C TYR A 38 -1.951 0.177 -9.128 1.00 0.00 C ATOM 539 O TYR A 38 -1.062 0.016 -8.293 1.00 0.00 O ATOM 540 CB TYR A 38 -1.749 -1.893 -10.545 1.00 0.00 C ATOM 541 CG TYR A 38 -1.697 -2.582 -11.918 1.00 0.00 C ATOM 542 CD1 TYR A 38 -0.479 -2.869 -12.538 1.00 0.00 C ATOM 543 CD2 TYR A 38 -2.864 -2.976 -12.575 1.00 0.00 C ATOM 544 CE1 TYR A 38 -0.433 -3.523 -13.743 1.00 0.00 C ATOM 545 CE2 TYR A 38 -2.815 -3.630 -13.790 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.596 -3.901 -14.367 1.00 0.00 C ATOM 547 OH TYR A 38 -1.533 -4.571 -15.573 1.00 0.00 O ATOM 0 H TYR A 38 0.294 0.246 -10.489 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.557 0.017 -11.205 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.896 -2.231 -9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.647 -2.227 -10.025 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.443 -2.571 -12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.823 -2.765 -12.125 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.520 -3.741 -14.202 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.728 -3.927 -14.284 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.703 -5.090 -15.616 1.00 0.00 H new ATOM 557 N THR A 39 -3.151 0.747 -8.844 1.00 0.00 N ATOM 558 CA THR A 39 -3.550 1.254 -7.500 1.00 0.00 C ATOM 559 C THR A 39 -3.377 0.164 -6.409 1.00 0.00 C ATOM 560 O THR A 39 -2.992 0.449 -5.268 1.00 0.00 O ATOM 561 CB THR A 39 -5.053 1.730 -7.514 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.295 2.630 -8.593 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.487 2.408 -6.212 1.00 0.00 C ATOM 0 H THR A 39 -3.878 0.870 -9.548 1.00 0.00 H new ATOM 0 HA THR A 39 -2.898 2.095 -7.264 1.00 0.00 H new ATOM 0 HB THR A 39 -5.642 0.821 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.234 2.910 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.531 2.711 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.372 1.710 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.867 3.287 -6.035 1.00 0.00 H new ATOM 571 N CYS A 40 -3.673 -1.092 -6.791 1.00 0.00 N ATOM 572 CA CYS A 40 -3.574 -2.251 -5.893 1.00 0.00 C ATOM 573 C CYS A 40 -2.492 -3.213 -6.392 1.00 0.00 C ATOM 574 O CYS A 40 -2.398 -3.479 -7.599 1.00 0.00 O ATOM 575 CB CYS A 40 -4.921 -3.000 -5.832 1.00 0.00 C ATOM 576 SG CYS A 40 -6.377 -1.935 -5.771 1.00 0.00 S ATOM 0 H CYS A 40 -3.987 -1.329 -7.732 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.314 -1.890 -4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.999 -3.649 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.923 -3.645 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.446 -2.650 -5.959 1.00 0.00 H new ATOM 581 N ARG A 41 -1.716 -3.749 -5.448 1.00 0.00 N ATOM 582 CA ARG A 41 -0.760 -4.851 -5.695 1.00 0.00 C ATOM 583 C ARG A 41 -1.484 -6.118 -6.226 1.00 0.00 C ATOM 584 O ARG A 41 -0.941 -6.858 -7.050 1.00 0.00 O ATOM 585 CB ARG A 41 0.019 -5.143 -4.380 1.00 0.00 C ATOM 586 CG ARG A 41 -0.877 -5.387 -3.136 1.00 0.00 C ATOM 587 CD ARG A 41 -0.085 -5.418 -1.815 1.00 0.00 C ATOM 588 NE ARG A 41 0.658 -4.157 -1.587 1.00 0.00 N ATOM 589 CZ ARG A 41 1.246 -3.800 -0.436 1.00 0.00 C ATOM 590 NH1 ARG A 41 1.202 -4.590 0.633 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.894 -2.644 -0.366 1.00 0.00 N ATOM 0 H ARG A 41 -1.727 -3.433 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.053 -4.552 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.650 -6.019 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.683 -4.304 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.633 -4.603 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.406 -6.332 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.770 -5.591 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.614 -6.254 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 41 0.728 -3.507 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.715 -5.485 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.655 -4.301 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.942 -2.036 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.344 -2.364 0.505 1.00 0.00 H new ATOM 605 N LEU A 42 -2.738 -6.323 -5.761 1.00 0.00 N ATOM 606 CA LEU A 42 -3.588 -7.467 -6.169 1.00 0.00 C ATOM 607 C LEU A 42 -4.283 -7.222 -7.529 1.00 0.00 C ATOM 608 O LEU A 42 -4.592 -8.179 -8.232 1.00 0.00 O ATOM 609 CB LEU A 42 -4.603 -7.803 -5.030 1.00 0.00 C ATOM 610 CG LEU A 42 -5.508 -6.626 -4.497 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.788 -6.421 -5.343 1.00 0.00 C ATOM 612 CD2 LEU A 42 -5.865 -6.828 -3.008 1.00 0.00 C ATOM 0 H LEU A 42 -3.190 -5.700 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.949 -8.337 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.258 -8.598 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.042 -8.206 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.916 -5.716 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.370 -5.598 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.511 -6.188 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.385 -7.333 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.489 -6.002 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.407 -7.766 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.951 -6.859 -2.416 1.00 0.00 H new ATOM 624 N CYS A 43 -4.520 -5.935 -7.891 1.00 0.00 N ATOM 625 CA CYS A 43 -5.057 -5.566 -9.234 1.00 0.00 C ATOM 626 C CYS A 43 -3.998 -5.825 -10.316 1.00 0.00 C ATOM 627 O CYS A 43 -4.330 -6.182 -11.445 1.00 0.00 O ATOM 628 CB CYS A 43 -5.569 -4.090 -9.279 1.00 0.00 C ATOM 629 SG CYS A 43 -7.374 -3.893 -9.000 1.00 0.00 S ATOM 0 H CYS A 43 -4.350 -5.137 -7.278 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.921 -6.199 -9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.034 -3.511 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.317 -3.662 -10.249 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.629 -3.983 -7.728 1.00 0.00 H new ATOM 634 N HIS A 44 -2.719 -5.645 -9.940 1.00 0.00 N ATOM 635 CA HIS A 44 -1.568 -6.040 -10.777 1.00 0.00 C ATOM 636 C HIS A 44 -1.581 -7.561 -10.975 1.00 0.00 C ATOM 637 O HIS A 44 -1.596 -8.054 -12.098 1.00 0.00 O ATOM 638 CB HIS A 44 -0.236 -5.571 -10.108 1.00 0.00 C ATOM 639 CG HIS A 44 1.024 -6.218 -10.648 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.361 -7.525 -10.367 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.046 -5.735 -11.420 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.520 -7.790 -10.942 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.986 -6.758 -11.589 1.00 0.00 N ATOM 0 H HIS A 44 -2.453 -5.223 -9.050 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.641 -5.562 -11.754 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.150 -4.491 -10.227 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.297 -5.770 -9.038 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.115 -4.737 -11.828 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.021 -8.745 -10.884 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.860 -6.707 -12.113 1.00 0.00 H new ATOM 651 N ASP A 45 -1.612 -8.273 -9.839 1.00 0.00 N ATOM 652 CA ASP A 45 -1.517 -9.743 -9.772 1.00 0.00 C ATOM 653 C ASP A 45 -2.641 -10.444 -10.564 1.00 0.00 C ATOM 654 O ASP A 45 -2.406 -11.467 -11.207 1.00 0.00 O ATOM 655 CB ASP A 45 -1.561 -10.170 -8.284 1.00 0.00 C ATOM 656 CG ASP A 45 -1.481 -11.693 -8.067 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.377 -12.259 -8.182 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.518 -12.326 -7.762 1.00 0.00 O ATOM 0 H ASP A 45 -1.706 -7.837 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.577 -10.049 -10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.735 -9.694 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.483 -9.797 -7.837 1.00 0.00 H new ATOM 663 N ASN A 46 -3.851 -9.870 -10.506 1.00 0.00 N ATOM 664 CA ASN A 46 -5.064 -10.455 -11.118 1.00 0.00 C ATOM 665 C ASN A 46 -5.080 -10.227 -12.648 1.00 0.00 C ATOM 666 O ASN A 46 -5.730 -10.974 -13.388 1.00 0.00 O ATOM 667 CB ASN A 46 -6.324 -9.840 -10.449 1.00 0.00 C ATOM 668 CG ASN A 46 -7.626 -10.589 -10.770 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.005 -11.526 -10.068 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.311 -10.193 -11.830 1.00 0.00 N ATOM 0 H ASN A 46 -4.022 -8.983 -10.032 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.062 -11.532 -10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.180 -9.827 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.424 -8.803 -10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.178 -10.668 -12.084 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.973 -9.413 -12.394 1.00 0.00 H new ATOM 677 N ASN A 47 -4.358 -9.185 -13.109 1.00 0.00 N ATOM 678 CA ASN A 47 -4.275 -8.825 -14.544 1.00 0.00 C ATOM 679 C ASN A 47 -3.105 -9.554 -15.216 1.00 0.00 C ATOM 680 O ASN A 47 -3.138 -9.816 -16.425 1.00 0.00 O ATOM 681 CB ASN A 47 -4.107 -7.282 -14.721 1.00 0.00 C ATOM 682 CG ASN A 47 -5.371 -6.450 -14.426 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.585 -5.405 -15.039 1.00 0.00 O ATOM 684 ND2 ASN A 47 -6.198 -6.874 -13.479 1.00 0.00 N ATOM 0 H ASN A 47 -3.817 -8.570 -12.501 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.206 -9.133 -15.020 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.305 -6.942 -14.066 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.789 -7.081 -15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.030 -6.331 -13.247 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.002 -7.743 -12.983 1.00 0.00 H new ATOM 691 N GLU A 48 -2.066 -9.862 -14.426 1.00 0.00 N ATOM 692 CA GLU A 48 -0.795 -10.410 -14.926 1.00 0.00 C ATOM 693 C GLU A 48 -0.582 -11.861 -14.472 1.00 0.00 C ATOM 694 O GLU A 48 -1.370 -12.419 -13.699 1.00 0.00 O ATOM 695 CB GLU A 48 0.368 -9.507 -14.444 1.00 0.00 C ATOM 696 CG GLU A 48 0.194 -8.022 -14.839 1.00 0.00 C ATOM 697 CD GLU A 48 1.439 -7.142 -14.633 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.537 -7.669 -14.365 1.00 0.00 O ATOM 699 OE2 GLU A 48 1.315 -5.909 -14.725 1.00 0.00 O ATOM 0 H GLU A 48 -2.084 -9.737 -13.414 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.825 -10.422 -16.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.450 -9.580 -13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.304 -9.879 -14.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.097 -7.973 -15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.629 -7.602 -14.260 1.00 0.00 H new ATOM 706 N ASP A 49 0.505 -12.458 -14.988 1.00 0.00 N ATOM 707 CA ASP A 49 0.906 -13.837 -14.671 1.00 0.00 C ATOM 708 C ASP A 49 1.730 -13.882 -13.370 1.00 0.00 C ATOM 709 O ASP A 49 1.719 -14.893 -12.662 1.00 0.00 O ATOM 710 CB ASP A 49 1.716 -14.422 -15.858 1.00 0.00 C ATOM 711 CG ASP A 49 2.196 -15.870 -15.637 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.368 -16.803 -15.749 1.00 0.00 O ATOM 713 OD2 ASP A 49 3.400 -16.083 -15.359 1.00 0.00 O ATOM 0 H ASP A 49 1.135 -11.993 -15.642 1.00 0.00 H new ATOM 0 HA ASP A 49 0.013 -14.442 -14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.100 -14.388 -16.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.583 -13.787 -16.041 1.00 0.00 H new ATOM 718 N HIS A 50 2.427 -12.774 -13.046 1.00 0.00 N ATOM 719 CA HIS A 50 3.300 -12.703 -11.854 1.00 0.00 C ATOM 720 C HIS A 50 2.726 -11.736 -10.794 1.00 0.00 C ATOM 721 O HIS A 50 1.880 -10.884 -11.101 1.00 0.00 O ATOM 722 CB HIS A 50 4.759 -12.324 -12.260 1.00 0.00 C ATOM 723 CG HIS A 50 4.942 -10.948 -12.856 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.888 -10.670 -14.200 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.189 -9.763 -12.248 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.087 -9.352 -14.357 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.270 -8.748 -13.192 1.00 0.00 N ATOM 0 H HIS A 50 2.403 -11.914 -13.594 1.00 0.00 H new ATOM 0 HA HIS A 50 3.333 -13.692 -11.396 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.393 -12.404 -11.377 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.119 -13.061 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.306 -9.627 -11.183 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.097 -8.848 -15.312 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.434 -7.755 -13.025 1.00 0.00 H new ATOM 735 N GLN A 51 3.203 -11.893 -9.547 1.00 0.00 N ATOM 736 CA GLN A 51 2.774 -11.088 -8.382 1.00 0.00 C ATOM 737 C GLN A 51 3.631 -9.815 -8.239 1.00 0.00 C ATOM 738 O GLN A 51 4.814 -9.805 -8.610 1.00 0.00 O ATOM 739 CB GLN A 51 2.845 -11.938 -7.078 1.00 0.00 C ATOM 740 CG GLN A 51 4.243 -12.507 -6.739 1.00 0.00 C ATOM 741 CD GLN A 51 4.285 -13.334 -5.450 1.00 0.00 C ATOM 742 OE1 GLN A 51 3.296 -13.950 -5.047 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.436 -13.367 -4.798 1.00 0.00 N ATOM 0 H GLN A 51 3.908 -12.592 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 51 1.741 -10.783 -8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.508 -11.323 -6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.144 -12.768 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.582 -13.128 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.948 -11.681 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.239 -12.848 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.521 -13.912 -3.940 1.00 0.00 H new ATOM 752 N LEU A 52 3.000 -8.727 -7.759 1.00 0.00 N ATOM 753 CA LEU A 52 3.696 -7.480 -7.408 1.00 0.00 C ATOM 754 C LEU A 52 4.294 -7.650 -6.010 1.00 0.00 C ATOM 755 O LEU A 52 3.561 -7.913 -5.049 1.00 0.00 O ATOM 756 CB LEU A 52 2.717 -6.258 -7.464 1.00 0.00 C ATOM 757 CG LEU A 52 3.340 -4.812 -7.282 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.498 -3.735 -8.003 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.520 -4.419 -5.793 1.00 0.00 C ATOM 0 H LEU A 52 1.992 -8.690 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 52 4.491 -7.279 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.202 -6.284 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.960 -6.398 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 52 4.329 -4.858 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.956 -2.757 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.456 -3.959 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.488 -3.728 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.950 -3.419 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.551 -4.429 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.186 -5.132 -5.306 1.00 0.00 H new ATOM 771 N ASP A 53 5.621 -7.522 -5.900 1.00 0.00 N ATOM 772 CA ASP A 53 6.300 -7.477 -4.603 1.00 0.00 C ATOM 773 C ASP A 53 6.410 -6.011 -4.156 1.00 0.00 C ATOM 774 O ASP A 53 6.934 -5.159 -4.890 1.00 0.00 O ATOM 775 CB ASP A 53 7.687 -8.149 -4.654 1.00 0.00 C ATOM 776 CG ASP A 53 8.396 -8.115 -3.288 1.00 0.00 C ATOM 777 OD1 ASP A 53 8.003 -8.886 -2.386 1.00 0.00 O ATOM 778 OD2 ASP A 53 9.317 -7.300 -3.099 1.00 0.00 O ATOM 0 H ASP A 53 6.249 -7.447 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 53 5.713 -8.041 -3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.577 -9.183 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.306 -7.646 -5.396 1.00 0.00 H new ATOM 783 N ARG A 54 5.916 -5.743 -2.941 1.00 0.00 N ATOM 784 CA ARG A 54 5.776 -4.381 -2.393 1.00 0.00 C ATOM 785 C ARG A 54 7.124 -3.783 -1.940 1.00 0.00 C ATOM 786 O ARG A 54 7.158 -2.646 -1.487 1.00 0.00 O ATOM 787 CB ARG A 54 4.769 -4.385 -1.208 1.00 0.00 C ATOM 788 CG ARG A 54 5.126 -5.346 -0.024 1.00 0.00 C ATOM 789 CD ARG A 54 4.154 -6.535 0.115 1.00 0.00 C ATOM 790 NE ARG A 54 4.067 -7.357 -1.115 1.00 0.00 N ATOM 791 CZ ARG A 54 4.639 -8.562 -1.312 1.00 0.00 C ATOM 792 NH1 ARG A 54 5.455 -9.102 -0.417 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.392 -9.209 -2.440 1.00 0.00 N ATOM 0 H ARG A 54 5.598 -6.471 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 54 5.399 -3.748 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.689 -3.370 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.785 -4.658 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.137 -5.728 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.129 -4.778 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.475 -7.165 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.162 -6.159 0.365 1.00 0.00 H new ATOM 0 HE ARG A 54 3.522 -6.974 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.665 -8.604 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.873 -10.015 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.778 -8.795 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.815 -10.122 -2.608 1.00 0.00 H new ATOM 807 N PHE A 55 8.220 -4.550 -2.039 1.00 0.00 N ATOM 808 CA PHE A 55 9.574 -4.049 -1.713 1.00 0.00 C ATOM 809 C PHE A 55 10.336 -3.711 -3.003 1.00 0.00 C ATOM 810 O PHE A 55 11.235 -2.864 -2.991 1.00 0.00 O ATOM 811 CB PHE A 55 10.341 -5.094 -0.865 1.00 0.00 C ATOM 812 CG PHE A 55 9.551 -5.572 0.356 1.00 0.00 C ATOM 813 CD1 PHE A 55 9.422 -4.764 1.484 1.00 0.00 C ATOM 814 CD2 PHE A 55 8.932 -6.824 0.364 1.00 0.00 C ATOM 815 CE1 PHE A 55 8.693 -5.189 2.577 1.00 0.00 C ATOM 816 CE2 PHE A 55 8.207 -7.248 1.457 1.00 0.00 C ATOM 817 CZ PHE A 55 8.092 -6.433 2.566 1.00 0.00 C ATOM 0 H PHE A 55 8.200 -5.524 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 55 9.486 -3.137 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.586 -5.952 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.285 -4.662 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.898 -3.795 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.023 -7.469 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.593 -4.549 3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.729 -8.217 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.531 -6.769 3.426 1.00 0.00 H new ATOM 827 N LYS A 56 9.960 -4.380 -4.118 1.00 0.00 N ATOM 828 CA LYS A 56 10.554 -4.122 -5.445 1.00 0.00 C ATOM 829 C LYS A 56 10.092 -2.765 -6.010 1.00 0.00 C ATOM 830 O LYS A 56 10.854 -2.106 -6.729 1.00 0.00 O ATOM 831 CB LYS A 56 10.206 -5.261 -6.452 1.00 0.00 C ATOM 832 CG LYS A 56 10.775 -6.655 -6.089 1.00 0.00 C ATOM 833 CD LYS A 56 12.319 -6.701 -6.014 1.00 0.00 C ATOM 834 CE LYS A 56 12.995 -6.406 -7.366 1.00 0.00 C ATOM 835 NZ LYS A 56 14.478 -6.500 -7.282 1.00 0.00 N ATOM 0 H LYS A 56 9.244 -5.106 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 56 11.635 -4.094 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.121 -5.337 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.577 -4.980 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.365 -6.965 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.435 -7.379 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.663 -5.977 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.631 -7.685 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.629 -7.109 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.714 -5.408 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.892 -6.294 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.831 -5.812 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.749 -7.460 -6.987 1.00 0.00 H new ATOM 849 N VAL A 57 8.844 -2.353 -5.679 1.00 0.00 N ATOM 850 CA VAL A 57 8.292 -1.063 -6.138 1.00 0.00 C ATOM 851 C VAL A 57 9.067 0.120 -5.505 1.00 0.00 C ATOM 852 O VAL A 57 9.032 0.345 -4.294 1.00 0.00 O ATOM 853 CB VAL A 57 6.729 -0.933 -5.907 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.956 -1.923 -6.798 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.326 -1.117 -4.431 1.00 0.00 C ATOM 0 H VAL A 57 8.206 -2.896 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 57 8.432 -1.028 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 57 6.461 0.085 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.886 -1.814 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.173 -1.715 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.261 -2.942 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.245 -1.017 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.631 -2.107 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.816 -0.357 -3.822 1.00 0.00 H new ATOM 865 N LYS A 58 9.837 0.808 -6.357 1.00 0.00 N ATOM 866 CA LYS A 58 10.632 1.985 -5.985 1.00 0.00 C ATOM 867 C LYS A 58 9.731 3.227 -5.917 1.00 0.00 C ATOM 868 O LYS A 58 9.721 3.966 -4.921 1.00 0.00 O ATOM 869 CB LYS A 58 11.776 2.168 -7.034 1.00 0.00 C ATOM 870 CG LYS A 58 12.570 3.496 -6.958 1.00 0.00 C ATOM 871 CD LYS A 58 13.283 3.725 -5.606 1.00 0.00 C ATOM 872 CE LYS A 58 14.084 5.041 -5.589 1.00 0.00 C ATOM 873 NZ LYS A 58 13.229 6.230 -5.863 1.00 0.00 N ATOM 0 H LYS A 58 9.927 0.558 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 58 11.076 1.846 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.479 1.342 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.343 2.085 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.313 3.510 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.888 4.326 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.544 3.741 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.954 2.890 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.564 5.158 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.879 4.989 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.776 7.098 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.913 6.210 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.400 6.214 -5.235 1.00 0.00 H new ATOM 887 N GLU A 59 8.956 3.422 -6.986 1.00 0.00 N ATOM 888 CA GLU A 59 8.161 4.637 -7.203 1.00 0.00 C ATOM 889 C GLU A 59 6.667 4.328 -7.253 1.00 0.00 C ATOM 890 O GLU A 59 6.226 3.188 -7.053 1.00 0.00 O ATOM 891 CB GLU A 59 8.608 5.296 -8.537 1.00 0.00 C ATOM 892 CG GLU A 59 10.023 5.887 -8.505 1.00 0.00 C ATOM 893 CD GLU A 59 10.510 6.365 -9.882 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.538 5.541 -10.822 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.869 7.554 -10.030 1.00 0.00 O ATOM 0 H GLU A 59 8.860 2.735 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 59 8.329 5.317 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.555 4.552 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.902 6.086 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.044 6.725 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.715 5.137 -8.122 1.00 0.00 H new ATOM 902 N VAL A 60 5.912 5.394 -7.539 1.00 0.00 N ATOM 903 CA VAL A 60 4.479 5.373 -7.832 1.00 0.00 C ATOM 904 C VAL A 60 4.229 6.416 -8.939 1.00 0.00 C ATOM 905 O VAL A 60 5.156 7.125 -9.355 1.00 0.00 O ATOM 906 CB VAL A 60 3.580 5.707 -6.563 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.669 4.610 -5.473 1.00 0.00 C ATOM 908 CG2 VAL A 60 3.917 7.105 -5.973 1.00 0.00 C ATOM 0 H VAL A 60 6.303 6.336 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 60 4.197 4.367 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 60 2.548 5.730 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.038 4.885 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.330 3.659 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.702 4.513 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.283 7.297 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.963 7.129 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.742 7.871 -6.729 1.00 0.00 H new ATOM 918 N GLN A 61 2.991 6.518 -9.429 1.00 0.00 N ATOM 919 CA GLN A 61 2.574 7.671 -10.248 1.00 0.00 C ATOM 920 C GLN A 61 1.315 8.266 -9.625 1.00 0.00 C ATOM 921 O GLN A 61 0.463 7.545 -9.140 1.00 0.00 O ATOM 922 CB GLN A 61 2.398 7.295 -11.753 1.00 0.00 C ATOM 923 CG GLN A 61 1.159 6.487 -12.173 1.00 0.00 C ATOM 924 CD GLN A 61 -0.090 7.342 -12.451 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.956 7.481 -11.604 1.00 0.00 O ATOM 926 NE2 GLN A 61 -0.147 7.958 -13.618 1.00 0.00 N ATOM 0 H GLN A 61 2.260 5.823 -9.277 1.00 0.00 H new ATOM 0 HA GLN A 61 3.358 8.428 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.398 8.221 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.279 6.731 -12.058 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.400 5.914 -13.069 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.925 5.768 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.595 7.820 -14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.933 8.572 -13.833 1.00 0.00 H new ATOM 935 N CYS A 62 1.225 9.590 -9.611 1.00 0.00 N ATOM 936 CA CYS A 62 0.054 10.319 -9.109 1.00 0.00 C ATOM 937 C CYS A 62 -1.003 10.336 -10.198 1.00 0.00 C ATOM 938 O CYS A 62 -0.763 10.924 -11.232 1.00 0.00 O ATOM 939 CB CYS A 62 0.483 11.748 -8.764 1.00 0.00 C ATOM 940 SG CYS A 62 -0.828 12.920 -8.317 1.00 0.00 S ATOM 0 H CYS A 62 1.969 10.200 -9.951 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.353 9.841 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.189 11.698 -7.935 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.023 12.155 -9.619 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.297 13.994 -7.813 1.00 0.00 H new ATOM 945 N ILE A 63 -2.148 9.661 -9.981 1.00 0.00 N ATOM 946 CA ILE A 63 -3.223 9.572 -11.001 1.00 0.00 C ATOM 947 C ILE A 63 -3.782 10.984 -11.259 1.00 0.00 C ATOM 948 O ILE A 63 -4.158 11.338 -12.377 1.00 0.00 O ATOM 949 CB ILE A 63 -4.381 8.586 -10.559 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.816 7.324 -9.827 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.225 8.146 -11.781 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.866 6.394 -9.224 1.00 0.00 C ATOM 0 H ILE A 63 -2.357 9.169 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.798 9.165 -11.919 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.017 9.130 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.213 6.754 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.148 7.654 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.014 7.469 -11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.671 9.023 -12.250 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.585 7.636 -12.501 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.371 5.552 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.456 6.940 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.522 6.026 -10.013 1.00 0.00 H new ATOM 964 N ASN A 64 -3.754 11.795 -10.185 1.00 0.00 N ATOM 965 CA ASN A 64 -4.205 13.195 -10.173 1.00 0.00 C ATOM 966 C ASN A 64 -3.039 14.141 -10.589 1.00 0.00 C ATOM 967 O ASN A 64 -2.472 14.843 -9.746 1.00 0.00 O ATOM 968 CB ASN A 64 -4.709 13.516 -8.745 1.00 0.00 C ATOM 969 CG ASN A 64 -5.491 14.832 -8.609 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.716 14.853 -8.715 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.793 15.931 -8.362 1.00 0.00 N ATOM 0 H ASN A 64 -3.407 11.484 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.012 13.347 -10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.345 12.697 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.851 13.550 -8.073 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.271 16.826 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.778 15.882 -8.279 1.00 0.00 H new ATOM 978 N CYS A 65 -2.621 13.980 -11.851 1.00 0.00 N ATOM 979 CA CYS A 65 -1.709 14.872 -12.660 1.00 0.00 C ATOM 980 C CYS A 65 -0.779 14.011 -13.528 1.00 0.00 C ATOM 981 O CYS A 65 -0.042 14.538 -14.368 1.00 0.00 O ATOM 982 CB CYS A 65 -0.865 15.942 -11.885 1.00 0.00 C ATOM 983 SG CYS A 65 0.493 15.322 -10.828 1.00 0.00 S ATOM 0 H CYS A 65 -2.920 13.170 -12.394 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.399 15.471 -13.254 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.439 16.631 -12.615 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.544 16.521 -11.259 1.00 0.00 H new ATOM 0 HG CYS A 65 0.016 14.485 -9.955 1.00 0.00 H new ATOM 988 N GLU A 66 -0.810 12.679 -13.276 1.00 0.00 N ATOM 989 CA GLU A 66 -0.176 11.623 -14.125 1.00 0.00 C ATOM 990 C GLU A 66 1.368 11.652 -14.087 1.00 0.00 C ATOM 991 O GLU A 66 2.030 11.022 -14.925 1.00 0.00 O ATOM 992 CB GLU A 66 -0.717 11.687 -15.585 1.00 0.00 C ATOM 993 CG GLU A 66 -2.243 11.468 -15.697 1.00 0.00 C ATOM 994 CD GLU A 66 -2.772 11.605 -17.136 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.672 10.626 -17.905 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.266 12.694 -17.504 1.00 0.00 O ATOM 0 H GLU A 66 -1.286 12.294 -12.460 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.462 10.664 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.467 12.658 -16.013 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.207 10.933 -16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.490 10.476 -15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.755 12.188 -15.059 1.00 0.00 H new ATOM 1003 N LYS A 67 1.934 12.346 -13.087 1.00 0.00 N ATOM 1004 CA LYS A 67 3.393 12.498 -12.938 1.00 0.00 C ATOM 1005 C LYS A 67 3.994 11.312 -12.158 1.00 0.00 C ATOM 1006 O LYS A 67 3.390 10.832 -11.188 1.00 0.00 O ATOM 1007 CB LYS A 67 3.715 13.825 -12.207 1.00 0.00 C ATOM 1008 CG LYS A 67 5.231 14.128 -12.071 1.00 0.00 C ATOM 1009 CD LYS A 67 5.509 15.428 -11.286 1.00 0.00 C ATOM 1010 CE LYS A 67 6.998 15.801 -11.238 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.226 17.090 -10.527 1.00 0.00 N ATOM 0 H LYS A 67 1.396 12.817 -12.360 1.00 0.00 H new ATOM 0 HA LYS A 67 3.838 12.516 -13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.239 14.646 -12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.272 13.795 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.721 13.293 -11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.673 14.206 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.951 16.246 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.136 15.316 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.555 15.008 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.387 15.873 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.167 17.459 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.500 17.777 -10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.171 16.935 -9.500 1.00 0.00 H new ATOM 1025 N ILE A 68 5.193 10.869 -12.584 1.00 0.00 N ATOM 1026 CA ILE A 68 5.977 9.843 -11.883 1.00 0.00 C ATOM 1027 C ILE A 68 6.803 10.524 -10.773 1.00 0.00 C ATOM 1028 O ILE A 68 7.509 11.509 -11.029 1.00 0.00 O ATOM 1029 CB ILE A 68 6.957 9.085 -12.867 1.00 0.00 C ATOM 1030 CG1 ILE A 68 6.180 8.435 -14.065 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.815 8.023 -12.118 1.00 0.00 C ATOM 1032 CD1 ILE A 68 5.399 7.169 -13.734 1.00 0.00 C ATOM 0 H ILE A 68 5.644 11.218 -13.430 1.00 0.00 H new ATOM 0 HA ILE A 68 5.288 9.110 -11.463 1.00 0.00 H new ATOM 0 HB ILE A 68 7.638 9.831 -13.277 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.487 9.173 -14.468 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.894 8.204 -14.855 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.475 7.523 -12.827 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.412 8.514 -11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.159 7.287 -11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.901 6.804 -14.632 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.083 6.406 -13.363 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.654 7.391 -12.970 1.00 0.00 H new ATOM 1044 N GLN A 69 6.679 10.003 -9.553 1.00 0.00 N ATOM 1045 CA GLN A 69 7.486 10.425 -8.392 1.00 0.00 C ATOM 1046 C GLN A 69 7.759 9.206 -7.511 1.00 0.00 C ATOM 1047 O GLN A 69 7.158 8.145 -7.717 1.00 0.00 O ATOM 1048 CB GLN A 69 6.793 11.557 -7.570 1.00 0.00 C ATOM 1049 CG GLN A 69 5.490 11.190 -6.823 1.00 0.00 C ATOM 1050 CD GLN A 69 4.286 10.994 -7.738 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.547 11.935 -8.029 1.00 0.00 O ATOM 1052 NE2 GLN A 69 4.078 9.775 -8.191 1.00 0.00 N ATOM 0 H GLN A 69 6.009 9.266 -9.333 1.00 0.00 H new ATOM 0 HA GLN A 69 8.425 10.840 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.509 11.930 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.573 12.381 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.654 10.275 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.262 11.976 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.711 9.019 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.284 9.587 -8.803 1.00 0.00 H new ATOM 1061 N HIS A 70 8.660 9.357 -6.527 1.00 0.00 N ATOM 1062 CA HIS A 70 8.980 8.273 -5.580 1.00 0.00 C ATOM 1063 C HIS A 70 7.750 7.927 -4.714 1.00 0.00 C ATOM 1064 O HIS A 70 6.834 8.750 -4.568 1.00 0.00 O ATOM 1065 CB HIS A 70 10.202 8.653 -4.698 1.00 0.00 C ATOM 1066 CG HIS A 70 9.965 9.763 -3.695 1.00 0.00 C ATOM 1067 ND1 HIS A 70 10.217 11.090 -3.954 1.00 0.00 N ATOM 1068 CD2 HIS A 70 9.523 9.721 -2.414 1.00 0.00 C ATOM 1069 CE1 HIS A 70 9.941 11.808 -2.883 1.00 0.00 C ATOM 1070 NE2 HIS A 70 9.518 11.002 -1.939 1.00 0.00 N ATOM 0 H HIS A 70 9.181 10.219 -6.365 1.00 0.00 H new ATOM 0 HA HIS A 70 9.248 7.385 -6.152 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.529 7.764 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.022 8.948 -5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.229 8.836 -1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.046 12.880 -2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.232 11.286 -1.002 1.00 0.00 H new ATOM 1079 N ALA A 71 7.731 6.706 -4.158 1.00 0.00 N ATOM 1080 CA ALA A 71 6.659 6.269 -3.252 1.00 0.00 C ATOM 1081 C ALA A 71 6.655 7.142 -1.975 1.00 0.00 C ATOM 1082 O ALA A 71 7.553 7.026 -1.142 1.00 0.00 O ATOM 1083 CB ALA A 71 6.825 4.780 -2.918 1.00 0.00 C ATOM 0 H ALA A 71 8.450 6.001 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 71 5.695 6.394 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.026 4.466 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.778 4.194 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.789 4.621 -2.434 1.00 0.00 H new ATOM 1089 N GLN A 72 5.665 8.048 -1.881 1.00 0.00 N ATOM 1090 CA GLN A 72 5.521 9.016 -0.766 1.00 0.00 C ATOM 1091 C GLN A 72 4.037 9.154 -0.380 1.00 0.00 C ATOM 1092 O GLN A 72 3.202 8.395 -0.872 1.00 0.00 O ATOM 1093 CB GLN A 72 6.140 10.389 -1.167 1.00 0.00 C ATOM 1094 CG GLN A 72 5.568 11.017 -2.462 1.00 0.00 C ATOM 1095 CD GLN A 72 6.233 12.346 -2.876 1.00 0.00 C ATOM 1096 OE1 GLN A 72 6.362 12.645 -4.061 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.617 13.172 -1.912 1.00 0.00 N ATOM 0 H GLN A 72 4.931 8.134 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 72 6.062 8.650 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.991 11.090 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.216 10.263 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.677 10.301 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.500 11.186 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.501 12.904 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.028 14.075 -2.148 1.00 0.00 H new ATOM 1106 N GLN A 73 3.708 10.096 0.528 1.00 0.00 N ATOM 1107 CA GLN A 73 2.310 10.328 0.951 1.00 0.00 C ATOM 1108 C GLN A 73 1.688 11.526 0.208 1.00 0.00 C ATOM 1109 O GLN A 73 0.496 11.527 -0.071 1.00 0.00 O ATOM 1110 CB GLN A 73 2.215 10.544 2.487 1.00 0.00 C ATOM 1111 CG GLN A 73 0.757 10.594 3.012 1.00 0.00 C ATOM 1112 CD GLN A 73 0.618 10.890 4.505 1.00 0.00 C ATOM 1113 OE1 GLN A 73 1.443 11.584 5.099 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -0.429 10.363 5.126 1.00 0.00 N ATOM 0 H GLN A 73 4.388 10.706 0.981 1.00 0.00 H new ATOM 0 HA GLN A 73 1.744 9.433 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.748 9.740 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.719 11.474 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.212 11.355 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.277 9.638 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.096 9.792 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.567 10.529 6.123 1.00 0.00 H new ATOM 1123 N THR A 74 2.486 12.561 -0.106 1.00 0.00 N ATOM 1124 CA THR A 74 1.962 13.792 -0.740 1.00 0.00 C ATOM 1125 C THR A 74 2.754 14.130 -2.011 1.00 0.00 C ATOM 1126 O THR A 74 3.970 14.322 -1.956 1.00 0.00 O ATOM 1127 CB THR A 74 2.003 15.012 0.245 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.499 14.617 1.537 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.167 16.197 -0.267 1.00 0.00 C ATOM 0 H THR A 74 3.491 12.574 0.066 1.00 0.00 H new ATOM 0 HA THR A 74 0.922 13.599 -1.005 1.00 0.00 H new ATOM 0 HB THR A 74 3.043 15.330 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.529 15.383 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.225 17.019 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.555 16.526 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.128 15.887 -0.380 1.00 0.00 H new ATOM 1137 N CYS A 75 2.038 14.178 -3.148 1.00 0.00 N ATOM 1138 CA CYS A 75 2.574 14.617 -4.448 1.00 0.00 C ATOM 1139 C CYS A 75 3.075 16.059 -4.374 1.00 0.00 C ATOM 1140 O CYS A 75 2.286 16.989 -4.312 1.00 0.00 O ATOM 1141 CB CYS A 75 1.470 14.503 -5.514 1.00 0.00 C ATOM 1142 SG CYS A 75 1.819 15.221 -7.157 1.00 0.00 S ATOM 0 H CYS A 75 1.055 13.909 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 75 3.416 13.978 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.239 13.446 -5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.571 14.978 -5.122 1.00 0.00 H new ATOM 0 HG CYS A 75 0.750 15.806 -7.611 1.00 0.00 H new ATOM 1147 N GLU A 76 4.396 16.194 -4.332 1.00 0.00 N ATOM 1148 CA GLU A 76 5.140 17.473 -4.458 1.00 0.00 C ATOM 1149 C GLU A 76 4.625 18.399 -5.599 1.00 0.00 C ATOM 1150 O GLU A 76 4.766 19.621 -5.518 1.00 0.00 O ATOM 1151 CB GLU A 76 6.669 17.155 -4.647 1.00 0.00 C ATOM 1152 CG GLU A 76 7.003 15.833 -5.405 1.00 0.00 C ATOM 1153 CD GLU A 76 6.343 15.686 -6.795 1.00 0.00 C ATOM 1154 OE1 GLU A 76 6.840 16.295 -7.760 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.319 14.967 -6.923 1.00 0.00 O ATOM 0 H GLU A 76 5.015 15.393 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 76 4.972 18.034 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.129 17.985 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.136 17.114 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.084 15.765 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.698 14.990 -4.785 1.00 0.00 H new ATOM 1162 N GLU A 77 4.035 17.796 -6.646 1.00 0.00 N ATOM 1163 CA GLU A 77 3.527 18.513 -7.822 1.00 0.00 C ATOM 1164 C GLU A 77 2.157 19.193 -7.558 1.00 0.00 C ATOM 1165 O GLU A 77 1.981 20.360 -7.910 1.00 0.00 O ATOM 1166 CB GLU A 77 3.434 17.515 -9.005 1.00 0.00 C ATOM 1167 CG GLU A 77 2.974 18.120 -10.344 1.00 0.00 C ATOM 1168 CD GLU A 77 3.899 19.230 -10.879 1.00 0.00 C ATOM 1169 OE1 GLU A 77 5.048 18.922 -11.252 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.480 20.408 -10.927 1.00 0.00 O ATOM 0 H GLU A 77 3.897 16.787 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 77 4.220 19.319 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.412 17.057 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.745 16.716 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.909 17.325 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.969 18.525 -10.222 1.00 0.00 H new ATOM 1177 N CYS A 78 1.195 18.474 -6.922 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.212 18.978 -6.798 1.00 0.00 C ATOM 1179 C CYS A 78 -0.880 18.581 -5.458 1.00 0.00 C ATOM 1180 O CYS A 78 -2.114 18.495 -5.380 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.064 18.486 -8.002 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.592 16.744 -7.914 1.00 0.00 S ATOM 0 H CYS A 78 1.355 17.562 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.163 20.067 -6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.951 19.115 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.489 18.630 -8.917 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.141 16.515 -6.758 1.00 0.00 H new ATOM 1187 N SER A 79 -0.054 18.360 -4.410 1.00 0.00 N ATOM 1188 CA SER A 79 -0.502 18.124 -3.013 1.00 0.00 C ATOM 1189 C SER A 79 -1.507 16.951 -2.868 1.00 0.00 C ATOM 1190 O SER A 79 -2.318 16.936 -1.934 1.00 0.00 O ATOM 1191 CB SER A 79 -1.070 19.444 -2.413 1.00 0.00 C ATOM 1192 OG SER A 79 -0.106 20.485 -2.484 1.00 0.00 O ATOM 0 H SER A 79 0.961 18.340 -4.510 1.00 0.00 H new ATOM 0 HA SER A 79 0.375 17.815 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.970 19.737 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.361 19.282 -1.375 1.00 0.00 H new ATOM 0 HG SER A 79 -0.483 21.306 -2.104 1.00 0.00 H new ATOM 1198 N THR A 80 -1.410 15.949 -3.766 1.00 0.00 N ATOM 1199 CA THR A 80 -2.318 14.787 -3.761 1.00 0.00 C ATOM 1200 C THR A 80 -1.969 13.857 -2.595 1.00 0.00 C ATOM 1201 O THR A 80 -0.850 13.330 -2.538 1.00 0.00 O ATOM 1202 CB THR A 80 -2.258 13.970 -5.098 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.464 14.846 -6.205 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.311 12.838 -5.150 1.00 0.00 C ATOM 0 H THR A 80 -0.708 15.923 -4.506 1.00 0.00 H new ATOM 0 HA THR A 80 -3.330 15.177 -3.652 1.00 0.00 H new ATOM 0 HB THR A 80 -1.271 13.509 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.613 14.994 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.225 12.305 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.141 12.145 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.310 13.266 -5.064 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.925 13.685 -1.670 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.797 12.725 -0.579 1.00 0.00 C ATOM 1214 C LEU A 81 -2.998 11.310 -1.152 1.00 0.00 C ATOM 1215 O LEU A 81 -4.067 10.987 -1.694 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.824 13.024 0.551 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.602 12.255 1.895 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -2.259 12.646 2.551 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.779 12.471 2.874 1.00 0.00 C ATOM 0 H LEU A 81 -3.801 14.207 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.805 12.803 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.805 14.094 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.822 12.789 0.181 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.561 11.192 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.135 12.094 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.439 12.404 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.254 13.716 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.590 11.922 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.876 13.533 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.701 12.110 2.419 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.948 10.493 -1.050 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.919 9.118 -1.561 1.00 0.00 C ATOM 1233 C PHE A 82 -2.459 8.135 -0.509 1.00 0.00 C ATOM 1234 O PHE A 82 -2.225 6.949 -0.620 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.462 8.731 -1.966 1.00 0.00 C ATOM 1236 CG PHE A 82 0.159 9.543 -3.114 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.630 10.153 -4.089 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.545 9.664 -3.226 1.00 0.00 C ATOM 1239 CE1 PHE A 82 -0.049 10.856 -5.127 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.120 10.365 -4.264 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.324 10.959 -5.215 1.00 0.00 C ATOM 0 H PHE A 82 -1.076 10.773 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.559 9.061 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.177 8.833 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.452 7.678 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.706 10.075 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.179 9.199 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.672 11.327 -5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.195 10.448 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.773 11.506 -6.031 1.00 0.00 H new ATOM 1251 N GLY A 83 -3.176 8.643 0.501 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.763 7.813 1.550 1.00 0.00 C ATOM 1253 C GLY A 83 -3.666 8.494 2.900 1.00 0.00 C ATOM 1254 O GLY A 83 -2.699 9.227 3.159 1.00 0.00 O ATOM 0 H GLY A 83 -3.363 9.640 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.808 7.610 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.252 6.851 1.586 1.00 0.00 H new ATOM 1258 N GLU A 84 -4.673 8.260 3.756 1.00 0.00 N ATOM 1259 CA GLU A 84 -4.747 8.846 5.108 1.00 0.00 C ATOM 1260 C GLU A 84 -3.553 8.379 5.965 1.00 0.00 C ATOM 1261 O GLU A 84 -2.843 9.187 6.576 1.00 0.00 O ATOM 1262 CB GLU A 84 -6.073 8.415 5.767 1.00 0.00 C ATOM 1263 CG GLU A 84 -7.354 8.890 5.048 1.00 0.00 C ATOM 1264 CD GLU A 84 -8.641 8.253 5.613 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -8.725 8.036 6.842 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -9.572 7.964 4.833 1.00 0.00 O ATOM 0 H GLU A 84 -5.464 7.656 3.531 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.708 9.933 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.093 7.327 5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.090 8.791 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.427 9.974 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.276 8.654 3.987 1.00 0.00 H new ATOM 1273 N TYR A 85 -3.362 7.059 5.980 1.00 0.00 N ATOM 1274 CA TYR A 85 -2.223 6.397 6.625 1.00 0.00 C ATOM 1275 C TYR A 85 -1.056 6.339 5.623 1.00 0.00 C ATOM 1276 O TYR A 85 -1.282 6.242 4.410 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.647 4.969 7.070 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.605 4.209 7.913 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -1.594 4.314 9.306 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.643 3.388 7.316 1.00 0.00 C ATOM 1281 CE1 TYR A 85 -0.667 3.627 10.068 1.00 0.00 C ATOM 1282 CE2 TYR A 85 0.280 2.702 8.075 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.266 2.823 9.445 1.00 0.00 C ATOM 1284 OH TYR A 85 1.191 2.133 10.195 1.00 0.00 O ATOM 0 H TYR A 85 -4.007 6.405 5.536 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.904 6.951 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.571 5.044 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.871 4.380 6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.322 4.943 9.796 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.623 3.290 6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.673 3.719 11.144 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.013 2.071 7.595 1.00 0.00 H new ATOM 0 HH TYR A 85 0.750 1.388 10.654 1.00 0.00 H new ATOM 1294 N TYR A 86 0.182 6.403 6.140 1.00 0.00 N ATOM 1295 CA TYR A 86 1.411 6.324 5.324 1.00 0.00 C ATOM 1296 C TYR A 86 2.375 5.298 5.936 1.00 0.00 C ATOM 1297 O TYR A 86 2.396 5.117 7.166 1.00 0.00 O ATOM 1298 CB TYR A 86 2.092 7.719 5.218 1.00 0.00 C ATOM 1299 CG TYR A 86 2.677 8.280 6.539 1.00 0.00 C ATOM 1300 CD1 TYR A 86 1.857 8.874 7.501 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.053 8.221 6.815 1.00 0.00 C ATOM 1302 CE1 TYR A 86 2.378 9.376 8.680 1.00 0.00 C ATOM 1303 CE2 TYR A 86 4.572 8.720 7.992 1.00 0.00 C ATOM 1304 CZ TYR A 86 3.733 9.298 8.920 1.00 0.00 C ATOM 1305 OH TYR A 86 4.253 9.799 10.096 1.00 0.00 O ATOM 0 H TYR A 86 0.362 6.511 7.138 1.00 0.00 H new ATOM 0 HA TYR A 86 1.144 6.003 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.895 7.657 4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.362 8.431 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.794 8.943 7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.719 7.776 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.724 9.828 9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.633 8.658 8.185 1.00 0.00 H new ATOM 0 HH TYR A 86 5.224 9.664 10.108 1.00 0.00 H new ATOM 1315 N CYS A 87 3.165 4.635 5.072 1.00 0.00 N ATOM 1316 CA CYS A 87 4.211 3.695 5.495 1.00 0.00 C ATOM 1317 C CYS A 87 5.093 3.352 4.275 1.00 0.00 C ATOM 1318 O CYS A 87 4.631 2.679 3.334 1.00 0.00 O ATOM 1319 CB CYS A 87 3.575 2.421 6.100 1.00 0.00 C ATOM 1320 SG CYS A 87 4.588 1.544 7.333 1.00 0.00 S ATOM 0 H CYS A 87 3.093 4.738 4.060 1.00 0.00 H new ATOM 0 HA CYS A 87 4.831 4.151 6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.627 2.695 6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.345 1.731 5.288 1.00 0.00 H new ATOM 0 HG CYS A 87 4.684 0.290 7.003 1.00 0.00 H new ATOM 1325 N ASP A 88 6.365 3.785 4.330 1.00 0.00 N ATOM 1326 CA ASP A 88 7.317 3.711 3.203 1.00 0.00 C ATOM 1327 C ASP A 88 7.703 2.262 2.869 1.00 0.00 C ATOM 1328 O ASP A 88 7.563 1.826 1.727 1.00 0.00 O ATOM 1329 CB ASP A 88 8.593 4.536 3.538 1.00 0.00 C ATOM 1330 CG ASP A 88 9.653 4.495 2.418 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.482 5.212 1.410 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.637 3.730 2.530 1.00 0.00 O ATOM 0 H ASP A 88 6.768 4.202 5.169 1.00 0.00 H new ATOM 0 HA ASP A 88 6.825 4.130 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.310 5.572 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.033 4.155 4.460 1.00 0.00 H new ATOM 1337 N ILE A 89 8.165 1.544 3.903 1.00 0.00 N ATOM 1338 CA ILE A 89 8.710 0.170 3.801 1.00 0.00 C ATOM 1339 C ILE A 89 7.681 -0.794 3.179 1.00 0.00 C ATOM 1340 O ILE A 89 7.998 -1.592 2.281 1.00 0.00 O ATOM 1341 CB ILE A 89 9.126 -0.349 5.233 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.186 0.608 5.874 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.642 -1.812 5.197 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.550 0.304 7.324 1.00 0.00 C ATOM 0 H ILE A 89 8.173 1.905 4.857 1.00 0.00 H new ATOM 0 HA ILE A 89 9.585 0.200 3.152 1.00 0.00 H new ATOM 0 HB ILE A 89 8.232 -0.346 5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.095 0.570 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.809 1.629 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.916 -2.126 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.858 -2.465 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.515 -1.874 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.291 1.024 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.657 0.373 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.963 -0.703 7.392 1.00 0.00 H new ATOM 1356 N CYS A 90 6.435 -0.667 3.653 1.00 0.00 N ATOM 1357 CA CYS A 90 5.320 -1.524 3.243 1.00 0.00 C ATOM 1358 C CYS A 90 4.801 -1.144 1.846 1.00 0.00 C ATOM 1359 O CYS A 90 4.168 -1.974 1.177 1.00 0.00 O ATOM 1360 CB CYS A 90 4.187 -1.414 4.275 1.00 0.00 C ATOM 1361 SG CYS A 90 4.638 -1.935 5.952 1.00 0.00 S ATOM 0 H CYS A 90 6.172 0.041 4.338 1.00 0.00 H new ATOM 0 HA CYS A 90 5.677 -2.553 3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.845 -0.380 4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.345 -2.017 3.936 1.00 0.00 H new ATOM 0 HG CYS A 90 5.107 -3.147 5.918 1.00 0.00 H new ATOM 1366 N HIS A 91 5.061 0.128 1.439 1.00 0.00 N ATOM 1367 CA HIS A 91 4.635 0.692 0.139 1.00 0.00 C ATOM 1368 C HIS A 91 3.111 0.585 -0.038 1.00 0.00 C ATOM 1369 O HIS A 91 2.596 0.131 -1.077 1.00 0.00 O ATOM 1370 CB HIS A 91 5.410 0.025 -1.023 1.00 0.00 C ATOM 1371 CG HIS A 91 6.859 0.435 -1.112 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.882 -0.215 -0.447 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.447 1.422 -1.817 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.028 0.363 -0.739 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.791 1.356 -1.569 1.00 0.00 N ATOM 0 H HIS A 91 5.578 0.793 2.014 1.00 0.00 H new ATOM 0 HA HIS A 91 4.879 1.754 0.124 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.356 -1.058 -0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.916 0.270 -1.963 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.767 -1.017 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.949 2.134 -2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.997 0.072 -0.362 1.00 0.00 H new ATOM 1384 N LEU A 92 2.405 0.991 1.019 1.00 0.00 N ATOM 1385 CA LEU A 92 0.946 1.057 1.041 1.00 0.00 C ATOM 1386 C LEU A 92 0.550 2.313 1.808 1.00 0.00 C ATOM 1387 O LEU A 92 1.070 2.577 2.906 1.00 0.00 O ATOM 1388 CB LEU A 92 0.334 -0.248 1.653 1.00 0.00 C ATOM 1389 CG LEU A 92 0.687 -0.589 3.153 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.308 0.037 4.165 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.794 -2.114 3.375 1.00 0.00 C ATOM 0 H LEU A 92 2.838 1.287 1.894 1.00 0.00 H new ATOM 0 HA LEU A 92 0.545 1.120 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.751 -0.181 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.649 -1.088 1.035 1.00 0.00 H new ATOM 0 HG LEU A 92 1.662 -0.139 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.013 -0.233 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.299 1.122 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.312 -0.338 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.038 -2.314 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.157 -2.585 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.577 -2.521 2.735 1.00 0.00 H new ATOM 1403 N PHE A 93 -0.284 3.140 1.181 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.823 4.356 1.785 1.00 0.00 C ATOM 1405 C PHE A 93 -2.320 4.328 1.454 1.00 0.00 C ATOM 1406 O PHE A 93 -2.694 4.442 0.289 1.00 0.00 O ATOM 1407 CB PHE A 93 -0.097 5.637 1.212 1.00 0.00 C ATOM 1408 CG PHE A 93 1.344 5.415 0.708 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.395 5.191 1.601 1.00 0.00 C ATOM 1410 CD2 PHE A 93 1.634 5.412 -0.661 1.00 0.00 C ATOM 1411 CE1 PHE A 93 3.683 4.983 1.143 1.00 0.00 C ATOM 1412 CE2 PHE A 93 2.926 5.203 -1.116 1.00 0.00 C ATOM 1413 CZ PHE A 93 3.949 4.982 -0.212 1.00 0.00 C ATOM 0 H PHE A 93 -0.608 2.982 0.227 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.663 4.399 2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.693 6.034 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.078 6.400 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.199 5.180 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.839 5.575 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.485 4.821 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.134 5.213 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.955 4.809 -0.565 1.00 0.00 H new ATOM 1423 N ASP A 94 -3.168 4.119 2.461 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.614 3.843 2.272 1.00 0.00 C ATOM 1425 C ASP A 94 -5.419 4.528 3.376 1.00 0.00 C ATOM 1426 O ASP A 94 -4.846 5.253 4.198 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.902 2.306 2.235 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.532 1.570 3.542 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -3.344 1.228 3.729 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.430 1.315 4.372 1.00 0.00 O ATOM 0 H ASP A 94 -2.881 4.134 3.440 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.921 4.250 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.961 2.149 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.347 1.862 1.409 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.755 4.339 3.357 1.00 0.00 N ATOM 1436 CA LYS A 95 -7.646 4.920 4.368 1.00 0.00 C ATOM 1437 C LYS A 95 -7.302 4.372 5.764 1.00 0.00 C ATOM 1438 O LYS A 95 -7.300 3.153 5.968 1.00 0.00 O ATOM 1439 CB LYS A 95 -9.136 4.628 4.060 1.00 0.00 C ATOM 1440 CG LYS A 95 -9.575 4.941 2.631 1.00 0.00 C ATOM 1441 CD LYS A 95 -11.111 4.845 2.426 1.00 0.00 C ATOM 1442 CE LYS A 95 -11.879 5.978 3.133 1.00 0.00 C ATOM 1443 NZ LYS A 95 -11.432 7.329 2.683 1.00 0.00 N ATOM 0 H LYS A 95 -7.236 3.786 2.648 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.496 5.999 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.333 3.575 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.753 5.206 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.242 5.945 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.080 4.252 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.333 4.872 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.464 3.884 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.946 5.867 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.740 5.891 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.242 7.981 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.700 7.686 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.042 7.263 1.721 1.00 0.00 H new ATOM 1457 N ASP A 96 -7.024 5.274 6.711 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.686 4.898 8.076 1.00 0.00 C ATOM 1459 C ASP A 96 -7.984 4.561 8.802 1.00 0.00 C ATOM 1460 O ASP A 96 -8.829 5.436 9.033 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.920 6.045 8.789 1.00 0.00 C ATOM 1462 CG ASP A 96 -5.712 5.803 10.298 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.057 4.802 10.671 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.239 6.593 11.116 1.00 0.00 O ATOM 0 H ASP A 96 -7.028 6.281 6.548 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.026 4.030 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.948 6.173 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.468 6.977 8.651 1.00 0.00 H new ATOM 1469 N LYS A 97 -8.149 3.277 9.106 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.286 2.759 9.856 1.00 0.00 C ATOM 1471 C LYS A 97 -8.721 2.035 11.074 1.00 0.00 C ATOM 1472 O LYS A 97 -8.570 0.798 11.075 1.00 0.00 O ATOM 1473 CB LYS A 97 -10.155 1.830 8.970 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.725 2.511 7.703 1.00 0.00 C ATOM 1475 CD LYS A 97 -11.550 1.544 6.821 1.00 0.00 C ATOM 1476 CE LYS A 97 -12.138 2.237 5.580 1.00 0.00 C ATOM 1477 NZ LYS A 97 -13.051 3.357 5.936 1.00 0.00 N ATOM 0 H LYS A 97 -7.483 2.555 8.832 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.947 3.564 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.556 0.970 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.983 1.448 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.354 3.351 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.903 2.920 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.916 0.715 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.360 1.118 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.326 2.617 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.681 1.505 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.538 3.693 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.754 3.026 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.500 4.136 6.349 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.283 2.866 12.055 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.707 2.419 13.340 1.00 0.00 C ATOM 1493 C LYS A 98 -6.355 1.694 13.132 1.00 0.00 C ATOM 1494 O LYS A 98 -5.858 1.038 14.049 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.740 1.518 14.093 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.142 2.154 14.375 1.00 0.00 C ATOM 1497 CD LYS A 98 -10.241 2.891 15.737 1.00 0.00 C ATOM 1498 CE LYS A 98 -9.368 4.153 15.833 1.00 0.00 C ATOM 1499 NZ LYS A 98 -9.360 4.717 17.208 1.00 0.00 N ATOM 0 H LYS A 98 -8.323 3.882 11.969 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.498 3.294 13.956 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.888 0.608 13.511 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.302 1.219 15.046 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.378 2.857 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.898 1.369 14.343 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.281 3.167 15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.954 2.203 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.348 3.913 15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.737 4.904 15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.504 5.293 17.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.202 5.312 17.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.368 3.942 17.901 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.731 1.919 11.952 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.662 1.059 11.406 1.00 0.00 C ATOM 1515 C GLN A 99 -3.368 1.086 12.257 1.00 0.00 C ATOM 1516 O GLN A 99 -2.884 2.158 12.650 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.353 1.464 9.931 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.289 0.589 9.232 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.135 0.820 7.719 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.060 0.594 7.164 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -4.189 1.244 7.038 1.00 0.00 N ATOM 0 H GLN A 99 -5.959 2.710 11.350 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.031 0.034 11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.277 1.419 9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.018 2.501 9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.326 0.767 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.538 -0.459 9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.069 1.424 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.120 1.390 6.031 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.830 -0.124 12.518 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.551 -0.341 13.228 1.00 0.00 C ATOM 1532 C TYR A 100 -0.517 -0.950 12.266 1.00 0.00 C ATOM 1533 O TYR A 100 -0.880 -1.709 11.362 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.745 -1.302 14.445 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.194 -2.737 14.077 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.544 -3.055 13.931 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.260 -3.761 13.858 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.945 -4.327 13.578 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.660 -5.029 13.509 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.003 -5.310 13.368 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.398 -6.581 13.014 1.00 0.00 O ATOM 0 H TYR A 100 -3.281 -0.994 12.236 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.198 0.623 13.593 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.806 -1.361 14.996 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.484 -0.867 15.119 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.289 -2.291 14.097 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.207 -3.549 13.966 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.995 -4.552 13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.925 -5.803 13.346 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.011 -6.813 12.144 1.00 0.00 H new ATOM 1551 N HIS A 101 0.767 -0.629 12.478 1.00 0.00 N ATOM 1552 CA HIS A 101 1.902 -1.318 11.839 1.00 0.00 C ATOM 1553 C HIS A 101 2.486 -2.352 12.815 1.00 0.00 C ATOM 1554 O HIS A 101 3.061 -1.987 13.843 1.00 0.00 O ATOM 1555 CB HIS A 101 2.982 -0.295 11.329 1.00 0.00 C ATOM 1556 CG HIS A 101 4.263 -0.941 10.812 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.411 -1.440 9.503 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.365 -1.280 11.534 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.567 -2.068 9.539 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.170 -1.996 10.720 1.00 0.00 N ATOM 0 H HIS A 101 1.052 0.124 13.104 1.00 0.00 H new ATOM 0 HA HIS A 101 1.550 -1.848 10.954 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.546 0.309 10.533 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.234 0.385 12.143 1.00 0.00 H new ATOM 0 HD1 HIS A 101 3.773 -1.339 8.714 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.560 -1.024 12.565 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.984 -2.591 8.691 1.00 0.00 H new ATOM 1568 N CYS A 102 2.300 -3.643 12.487 1.00 0.00 N ATOM 1569 CA CYS A 102 2.922 -4.761 13.214 1.00 0.00 C ATOM 1570 C CYS A 102 4.406 -4.845 12.814 1.00 0.00 C ATOM 1571 O CYS A 102 4.722 -5.249 11.689 1.00 0.00 O ATOM 1572 CB CYS A 102 2.200 -6.085 12.890 1.00 0.00 C ATOM 1573 SG CYS A 102 2.707 -7.503 13.915 1.00 0.00 S ATOM 0 H CYS A 102 1.712 -3.940 11.708 1.00 0.00 H new ATOM 0 HA CYS A 102 2.840 -4.590 14.287 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.127 -5.935 13.007 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.375 -6.331 11.843 1.00 0.00 H new ATOM 0 HG CYS A 102 3.658 -8.155 13.314 1.00 0.00 H new ATOM 1578 N GLU A 103 5.285 -4.411 13.728 1.00 0.00 N ATOM 1579 CA GLU A 103 6.746 -4.297 13.489 1.00 0.00 C ATOM 1580 C GLU A 103 7.420 -5.657 13.181 1.00 0.00 C ATOM 1581 O GLU A 103 8.314 -5.712 12.331 1.00 0.00 O ATOM 1582 CB GLU A 103 7.472 -3.544 14.669 1.00 0.00 C ATOM 1583 CG GLU A 103 6.816 -3.646 16.072 1.00 0.00 C ATOM 1584 CD GLU A 103 6.580 -5.084 16.570 1.00 0.00 C ATOM 1585 OE1 GLU A 103 7.537 -5.739 17.028 1.00 0.00 O ATOM 1586 OE2 GLU A 103 5.429 -5.568 16.493 1.00 0.00 O ATOM 0 H GLU A 103 5.007 -4.124 14.667 1.00 0.00 H new ATOM 0 HA GLU A 103 6.858 -3.692 12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.490 -3.927 14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.546 -2.489 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.448 -3.126 16.792 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.860 -3.122 16.050 1.00 0.00 H new ATOM 1593 N ASN A 104 6.981 -6.742 13.849 1.00 0.00 N ATOM 1594 CA ASN A 104 7.560 -8.094 13.641 1.00 0.00 C ATOM 1595 C ASN A 104 7.292 -8.615 12.208 1.00 0.00 C ATOM 1596 O ASN A 104 8.198 -9.135 11.552 1.00 0.00 O ATOM 1597 CB ASN A 104 7.027 -9.093 14.697 1.00 0.00 C ATOM 1598 CG ASN A 104 5.507 -9.061 14.827 1.00 0.00 C ATOM 1599 OD1 ASN A 104 4.784 -9.674 14.048 1.00 0.00 O ATOM 1600 ND2 ASN A 104 5.012 -8.323 15.799 1.00 0.00 N ATOM 0 H ASN A 104 6.229 -6.714 14.537 1.00 0.00 H new ATOM 0 HA ASN A 104 8.640 -8.009 13.764 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.343 -10.101 14.429 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.475 -8.865 15.664 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.002 -8.250 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.639 -7.825 16.431 1.00 0.00 H new ATOM 1607 N CYS A 105 6.038 -8.462 11.742 1.00 0.00 N ATOM 1608 CA CYS A 105 5.617 -8.886 10.385 1.00 0.00 C ATOM 1609 C CYS A 105 6.150 -7.923 9.315 1.00 0.00 C ATOM 1610 O CYS A 105 6.478 -8.336 8.198 1.00 0.00 O ATOM 1611 CB CYS A 105 4.077 -8.967 10.304 1.00 0.00 C ATOM 1612 SG CYS A 105 3.353 -10.273 11.334 1.00 0.00 S ATOM 0 H CYS A 105 5.287 -8.043 12.291 1.00 0.00 H new ATOM 0 HA CYS A 105 6.037 -9.874 10.195 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.656 -8.007 10.603 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.786 -9.133 9.267 1.00 0.00 H new ATOM 0 HG CYS A 105 3.837 -10.194 12.538 1.00 0.00 H new ATOM 1617 N GLY A 106 6.217 -6.638 9.684 1.00 0.00 N ATOM 1618 CA GLY A 106 6.677 -5.580 8.783 1.00 0.00 C ATOM 1619 C GLY A 106 5.577 -5.086 7.847 1.00 0.00 C ATOM 1620 O GLY A 106 5.861 -4.509 6.795 1.00 0.00 O ATOM 0 H GLY A 106 5.955 -6.306 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.050 -4.743 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.514 -5.951 8.191 1.00 0.00 H new ATOM 1624 N ILE A 107 4.306 -5.304 8.248 1.00 0.00 N ATOM 1625 CA ILE A 107 3.114 -4.872 7.477 1.00 0.00 C ATOM 1626 C ILE A 107 2.151 -4.071 8.374 1.00 0.00 C ATOM 1627 O ILE A 107 2.281 -4.056 9.605 1.00 0.00 O ATOM 1628 CB ILE A 107 2.320 -6.089 6.837 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.824 -7.087 7.941 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.169 -6.814 5.756 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.914 -8.197 7.435 1.00 0.00 C ATOM 0 H ILE A 107 4.074 -5.785 9.117 1.00 0.00 H new ATOM 0 HA ILE A 107 3.488 -4.248 6.666 1.00 0.00 H new ATOM 0 HB ILE A 107 1.439 -5.683 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.693 -7.539 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.294 -6.523 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.596 -7.642 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.424 -6.112 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.083 -7.198 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.622 -8.836 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.023 -7.760 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.444 -8.791 6.690 1.00 0.00 H new ATOM 1643 N CYS A 108 1.201 -3.404 7.714 1.00 0.00 N ATOM 1644 CA CYS A 108 0.083 -2.680 8.340 1.00 0.00 C ATOM 1645 C CYS A 108 -1.100 -2.656 7.393 1.00 0.00 C ATOM 1646 O CYS A 108 -0.914 -2.410 6.207 1.00 0.00 O ATOM 1647 CB CYS A 108 0.495 -1.240 8.670 1.00 0.00 C ATOM 1648 SG CYS A 108 1.459 -0.455 7.389 1.00 0.00 S ATOM 0 H CYS A 108 1.185 -3.349 6.696 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.191 -3.191 9.263 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.402 -0.648 8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.070 -1.240 9.596 1.00 0.00 H new ATOM 0 HG CYS A 108 2.500 -1.186 7.120 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.294 -2.903 7.946 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.601 -2.782 7.252 1.00 0.00 C ATOM 1655 C ARG A 109 -4.713 -2.570 8.301 1.00 0.00 C ATOM 1656 O ARG A 109 -4.425 -2.451 9.506 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.954 -4.004 6.336 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.214 -4.104 4.971 1.00 0.00 C ATOM 1659 CD ARG A 109 -3.180 -2.778 4.136 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.396 -1.935 4.214 1.00 0.00 N ATOM 1661 CZ ARG A 109 -5.556 -2.163 3.587 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -5.776 -3.294 2.936 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -6.506 -1.250 3.630 1.00 0.00 N ATOM 0 H ARG A 109 -2.390 -3.202 8.917 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.523 -1.924 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.753 -4.917 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.026 -3.980 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.189 -4.427 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.691 -4.880 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.328 -2.184 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.004 -3.033 3.091 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.344 -1.102 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.054 -4.013 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.668 -3.446 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.353 -0.379 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.394 -1.415 3.155 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.973 -2.543 7.823 1.00 0.00 N ATOM 1678 CA ILE A 110 -7.167 -2.249 8.642 1.00 0.00 C ATOM 1679 C ILE A 110 -7.265 -3.211 9.860 1.00 0.00 C ATOM 1680 O ILE A 110 -7.258 -4.437 9.697 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.491 -2.329 7.776 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -8.347 -1.521 6.428 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.731 -1.866 8.589 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.878 -0.074 6.559 1.00 0.00 C ATOM 0 H ILE A 110 -6.193 -2.727 6.844 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.061 -1.230 9.015 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.648 -3.375 7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.647 -2.052 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.312 -1.524 5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.622 -1.934 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.852 -2.505 9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.591 -0.834 8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.816 0.380 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.587 0.484 7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.895 -0.051 7.030 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.333 -2.624 11.063 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.318 -3.357 12.329 1.00 0.00 C ATOM 1698 C GLY A 111 -7.177 -2.383 13.468 1.00 0.00 C ATOM 1699 O GLY A 111 -6.341 -1.488 13.354 1.00 0.00 O ATOM 0 H GLY A 111 -7.401 -1.613 11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.237 -3.933 12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.493 -4.069 12.340 1.00 0.00 H new ATOM 1703 N PRO A 112 -7.935 -2.519 14.598 1.00 0.00 N ATOM 1704 CA PRO A 112 -7.889 -1.528 15.671 1.00 0.00 C ATOM 1705 C PRO A 112 -6.612 -1.682 16.510 1.00 0.00 C ATOM 1706 O PRO A 112 -6.356 -2.732 17.095 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.186 -1.785 16.455 1.00 0.00 C ATOM 1708 CG PRO A 112 -9.439 -3.254 16.295 1.00 0.00 C ATOM 1709 CD PRO A 112 -8.838 -3.656 14.946 1.00 0.00 C ATOM 0 HA PRO A 112 -7.841 -0.497 15.320 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.075 -1.514 17.505 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.012 -1.195 16.059 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -8.979 -3.817 17.107 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -10.507 -3.469 16.323 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.288 -4.594 15.018 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.611 -3.797 14.191 1.00 0.00 H new ATOM 1717 N LYS A 113 -5.792 -0.627 16.503 1.00 0.00 N ATOM 1718 CA LYS A 113 -4.495 -0.601 17.187 1.00 0.00 C ATOM 1719 C LYS A 113 -4.640 -0.700 18.731 1.00 0.00 C ATOM 1720 O LYS A 113 -3.712 -1.115 19.438 1.00 0.00 O ATOM 1721 CB LYS A 113 -3.745 0.677 16.759 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.480 2.011 17.073 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.150 3.126 16.052 1.00 0.00 C ATOM 1724 CE LYS A 113 -2.643 3.315 15.840 1.00 0.00 C ATOM 1725 NZ LYS A 113 -2.349 4.378 14.839 1.00 0.00 N ATOM 0 H LYS A 113 -6.012 0.242 16.017 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.918 -1.478 16.894 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.773 0.691 17.252 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.558 0.627 15.686 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.556 1.836 17.080 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.205 2.346 18.073 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.619 2.888 15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.584 4.065 16.395 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.173 3.571 16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.203 2.374 15.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.383 4.735 14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.431 3.984 13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.027 5.158 14.952 1.00 0.00 H new ATOM 1739 N GLU A 114 -5.812 -0.292 19.227 1.00 0.00 N ATOM 1740 CA GLU A 114 -6.200 -0.412 20.648 1.00 0.00 C ATOM 1741 C GLU A 114 -6.605 -1.854 21.000 1.00 0.00 C ATOM 1742 O GLU A 114 -6.446 -2.292 22.145 1.00 0.00 O ATOM 1743 CB GLU A 114 -7.386 0.543 20.974 1.00 0.00 C ATOM 1744 CG GLU A 114 -8.629 0.400 20.039 1.00 0.00 C ATOM 1745 CD GLU A 114 -8.672 1.452 18.910 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.009 1.262 17.871 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -9.358 2.486 19.081 1.00 0.00 O ATOM 0 H GLU A 114 -6.534 0.139 18.649 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.331 -0.135 21.245 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.702 0.366 22.002 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.029 1.571 20.923 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.629 -0.596 19.597 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.536 0.483 20.638 1.00 0.00 H new ATOM 1754 N ASP A 115 -7.121 -2.579 20.001 1.00 0.00 N ATOM 1755 CA ASP A 115 -7.736 -3.902 20.186 1.00 0.00 C ATOM 1756 C ASP A 115 -7.148 -4.882 19.154 1.00 0.00 C ATOM 1757 O ASP A 115 -7.837 -5.343 18.245 1.00 0.00 O ATOM 1758 CB ASP A 115 -9.291 -3.755 20.055 1.00 0.00 C ATOM 1759 CG ASP A 115 -10.094 -5.025 20.412 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -10.464 -5.193 21.591 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -10.361 -5.862 19.520 1.00 0.00 O ATOM 0 H ASP A 115 -7.124 -2.262 19.031 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.520 -4.304 21.176 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -9.620 -2.941 20.700 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.530 -3.467 19.031 1.00 0.00 H new ATOM 1766 N PHE A 116 -5.839 -5.149 19.260 1.00 0.00 N ATOM 1767 CA PHE A 116 -5.170 -6.169 18.419 1.00 0.00 C ATOM 1768 C PHE A 116 -4.144 -6.946 19.244 1.00 0.00 C ATOM 1769 O PHE A 116 -3.760 -6.534 20.346 1.00 0.00 O ATOM 1770 CB PHE A 116 -4.497 -5.543 17.141 1.00 0.00 C ATOM 1771 CG PHE A 116 -3.050 -5.025 17.313 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -2.797 -3.751 17.804 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -1.950 -5.830 16.975 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -1.500 -3.292 17.955 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -0.657 -5.371 17.128 1.00 0.00 C ATOM 1776 CZ PHE A 116 -0.432 -4.100 17.619 1.00 0.00 C ATOM 0 H PHE A 116 -5.217 -4.677 19.917 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.940 -6.856 18.068 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -4.500 -6.293 16.350 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.118 -4.716 16.798 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.624 -3.110 18.072 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.118 -6.825 16.589 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.323 -2.298 18.337 1.00 0.00 H new ATOM 0 HE2 PHE A 116 0.177 -6.005 16.864 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.578 -3.738 17.740 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.681 -8.058 18.670 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.580 -8.849 19.215 1.00 0.00 C ATOM 1788 C PHE A 117 -1.891 -9.585 18.054 1.00 0.00 C ATOM 1789 O PHE A 117 -2.569 -10.122 17.162 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.092 -9.857 20.295 1.00 0.00 C ATOM 1791 CG PHE A 117 -3.855 -11.068 19.740 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.109 -10.914 19.151 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.293 -12.344 19.768 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.770 -11.995 18.615 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.958 -13.419 19.226 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.196 -13.247 18.650 1.00 0.00 C ATOM 0 H PHE A 117 -4.065 -8.437 17.805 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.865 -8.191 19.709 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.238 -10.216 20.869 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.742 -9.324 20.989 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.566 -9.936 19.115 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.323 -12.490 20.221 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.743 -11.862 18.165 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.508 -14.400 19.252 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.717 -14.093 18.226 1.00 0.00 H new ATOM 1806 N HIS A 118 -0.554 -9.559 18.022 1.00 0.00 N ATOM 1807 CA HIS A 118 0.221 -10.476 17.183 1.00 0.00 C ATOM 1808 C HIS A 118 0.477 -11.753 18.003 1.00 0.00 C ATOM 1809 O HIS A 118 1.198 -11.716 19.007 1.00 0.00 O ATOM 1810 CB HIS A 118 1.557 -9.835 16.693 1.00 0.00 C ATOM 1811 CG HIS A 118 2.431 -10.803 15.915 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.188 -11.081 14.576 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.379 -11.654 16.387 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.963 -12.132 14.322 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.694 -12.501 15.375 1.00 0.00 N ATOM 0 H HIS A 118 0.013 -8.911 18.569 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.342 -10.712 16.280 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.331 -8.973 16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.113 -9.464 17.554 1.00 0.00 H new ATOM 0 HD1 HIS A 118 1.561 -10.593 13.936 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.802 -11.656 17.381 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.997 -12.633 13.366 1.00 0.00 H new ATOM 1823 N CYS A 119 -0.151 -12.862 17.591 1.00 0.00 N ATOM 1824 CA CYS A 119 0.035 -14.174 18.227 1.00 0.00 C ATOM 1825 C CYS A 119 1.444 -14.716 17.894 1.00 0.00 C ATOM 1826 O CYS A 119 1.787 -14.844 16.711 1.00 0.00 O ATOM 1827 CB CYS A 119 -1.073 -15.150 17.758 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.260 -16.626 18.801 1.00 0.00 S ATOM 0 H CYS A 119 -0.803 -12.875 16.807 1.00 0.00 H new ATOM 0 HA CYS A 119 -0.044 -14.074 19.309 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -2.023 -14.616 17.730 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.855 -15.466 16.738 1.00 0.00 H new ATOM 0 HG CYS A 119 -0.306 -17.468 18.536 1.00 0.00 H new ATOM 1833 N LEU A 120 2.271 -14.965 18.944 1.00 0.00 N ATOM 1834 CA LEU A 120 3.663 -15.450 18.780 1.00 0.00 C ATOM 1835 C LEU A 120 3.676 -16.860 18.162 1.00 0.00 C ATOM 1836 O LEU A 120 4.348 -17.100 17.160 1.00 0.00 O ATOM 1837 CB LEU A 120 4.421 -15.433 20.134 1.00 0.00 C ATOM 1838 CG LEU A 120 4.645 -14.031 20.790 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.466 -14.145 22.101 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.303 -13.035 19.800 1.00 0.00 C ATOM 0 H LEU A 120 1.993 -14.836 19.917 1.00 0.00 H new ATOM 0 HA LEU A 120 4.180 -14.774 18.099 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.872 -16.056 20.840 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.395 -15.900 19.986 1.00 0.00 H new ATOM 0 HG LEU A 120 3.663 -13.634 21.048 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.604 -13.153 22.531 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.933 -14.778 22.811 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.439 -14.585 21.884 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.443 -12.072 20.292 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.270 -13.424 19.482 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.659 -12.908 18.930 1.00 0.00 H new ATOM 1852 N LYS A 121 2.939 -17.785 18.797 1.00 0.00 N ATOM 1853 CA LYS A 121 2.597 -19.085 18.194 1.00 0.00 C ATOM 1854 C LYS A 121 1.475 -18.841 17.174 1.00 0.00 C ATOM 1855 O LYS A 121 0.567 -18.074 17.473 1.00 0.00 O ATOM 1856 CB LYS A 121 2.136 -20.092 19.287 1.00 0.00 C ATOM 1857 CG LYS A 121 3.222 -20.497 20.309 1.00 0.00 C ATOM 1858 CD LYS A 121 4.434 -21.193 19.645 1.00 0.00 C ATOM 1859 CE LYS A 121 5.462 -21.702 20.670 1.00 0.00 C ATOM 1860 NZ LYS A 121 4.896 -22.741 21.577 1.00 0.00 N ATOM 0 H LYS A 121 2.565 -17.655 19.737 1.00 0.00 H new ATOM 0 HA LYS A 121 3.469 -19.517 17.703 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.295 -19.657 19.828 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.768 -20.993 18.796 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.564 -19.609 20.841 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.786 -21.165 21.051 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.082 -22.031 19.043 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.921 -20.494 18.965 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.323 -22.114 20.143 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.824 -20.863 21.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.662 -23.172 22.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.207 -22.302 22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.423 -23.475 21.012 1.00 0.00 H new ATOM 1874 N CYS A 122 1.521 -19.503 15.996 1.00 0.00 N ATOM 1875 CA CYS A 122 0.659 -19.166 14.832 1.00 0.00 C ATOM 1876 C CYS A 122 0.807 -17.662 14.490 1.00 0.00 C ATOM 1877 O CYS A 122 0.010 -16.823 14.945 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.846 -19.605 15.038 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.345 -19.985 16.762 1.00 0.00 S ATOM 0 H CYS A 122 2.153 -20.284 15.822 1.00 0.00 H new ATOM 0 HA CYS A 122 1.002 -19.744 13.974 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -1.490 -18.810 14.661 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -1.034 -20.486 14.424 1.00 0.00 H new ATOM 0 HG CYS A 122 -0.862 -19.082 17.563 1.00 0.00 H new ATOM 1884 N ASN A 123 1.856 -17.338 13.708 1.00 0.00 N ATOM 1885 CA ASN A 123 2.320 -15.954 13.508 1.00 0.00 C ATOM 1886 C ASN A 123 1.385 -15.173 12.560 1.00 0.00 C ATOM 1887 O ASN A 123 1.526 -15.235 11.330 1.00 0.00 O ATOM 1888 CB ASN A 123 3.788 -15.917 12.977 1.00 0.00 C ATOM 1889 CG ASN A 123 4.812 -16.651 13.858 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.531 -17.702 14.433 1.00 0.00 O ATOM 1891 ND2 ASN A 123 6.013 -16.103 13.970 1.00 0.00 N ATOM 0 H ASN A 123 2.405 -18.030 13.198 1.00 0.00 H new ATOM 0 HA ASN A 123 2.297 -15.466 14.482 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.809 -16.354 11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.097 -14.876 12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.728 -16.553 14.542 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.223 -15.231 13.484 1.00 0.00 H new ATOM 1898 N LEU A 124 0.394 -14.498 13.164 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.448 -13.479 12.506 1.00 0.00 C ATOM 1900 C LEU A 124 -1.091 -12.573 13.574 1.00 0.00 C ATOM 1901 O LEU A 124 -0.950 -12.815 14.780 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.537 -14.081 11.559 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.613 -15.020 12.202 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -3.899 -15.066 11.349 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -2.064 -16.444 12.411 1.00 0.00 C ATOM 0 H LEU A 124 0.149 -14.646 14.143 1.00 0.00 H new ATOM 0 HA LEU A 124 0.207 -12.891 11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.057 -13.254 11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.028 -14.640 10.774 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.861 -14.602 13.178 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.626 -15.726 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.318 -14.063 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.662 -15.441 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.836 -17.070 12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.768 -16.865 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.198 -16.407 13.072 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.805 -11.532 13.120 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.305 -10.451 13.983 1.00 0.00 C ATOM 1919 C CYS A 125 -3.807 -10.238 13.742 1.00 0.00 C ATOM 1920 O CYS A 125 -4.221 -9.839 12.648 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.471 -9.165 13.710 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.229 -9.390 12.398 1.00 0.00 S ATOM 0 H CYS A 125 -2.053 -11.416 12.138 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.188 -10.714 15.034 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.144 -8.354 13.431 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.970 -8.861 14.629 1.00 0.00 H new ATOM 0 HG CYS A 125 0.876 -8.798 12.741 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.607 -10.556 14.774 1.00 0.00 N ATOM 1928 CA LEU A 126 -6.076 -10.440 14.754 1.00 0.00 C ATOM 1929 C LEU A 126 -6.484 -9.359 15.765 1.00 0.00 C ATOM 1930 O LEU A 126 -5.620 -8.650 16.301 1.00 0.00 O ATOM 1931 CB LEU A 126 -6.765 -11.804 15.111 1.00 0.00 C ATOM 1932 CG LEU A 126 -6.273 -13.084 14.347 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -4.917 -13.583 14.890 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -7.330 -14.207 14.398 1.00 0.00 C ATOM 0 H LEU A 126 -4.245 -10.907 15.661 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.402 -10.168 13.750 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.634 -11.978 16.179 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.835 -11.697 14.934 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.129 -12.802 13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.608 -14.470 14.337 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.167 -12.801 14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.017 -13.830 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.960 -15.080 13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.525 -14.476 15.436 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.253 -13.859 13.934 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.793 -9.248 16.031 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.316 -8.299 17.025 1.00 0.00 C ATOM 1948 C ALA A 127 -8.347 -8.986 18.394 1.00 0.00 C ATOM 1949 O ALA A 127 -8.392 -10.219 18.464 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.712 -7.794 16.621 1.00 0.00 C ATOM 0 H ALA A 127 -8.512 -9.806 15.570 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.664 -7.427 17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.077 -7.094 17.372 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.652 -7.292 15.655 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.398 -8.638 16.549 1.00 0.00 H new ATOM 1956 N MET A 128 -8.331 -8.195 19.473 1.00 0.00 N ATOM 1957 CA MET A 128 -8.394 -8.730 20.851 1.00 0.00 C ATOM 1958 C MET A 128 -9.795 -9.337 21.106 1.00 0.00 C ATOM 1959 O MET A 128 -9.949 -10.276 21.889 1.00 0.00 O ATOM 1960 CB MET A 128 -8.069 -7.605 21.869 1.00 0.00 C ATOM 1961 CG MET A 128 -7.887 -8.062 23.325 1.00 0.00 C ATOM 1962 SD MET A 128 -6.445 -9.129 23.554 1.00 0.00 S ATOM 1963 CE MET A 128 -5.104 -8.038 23.063 1.00 0.00 C ATOM 0 H MET A 128 -8.275 -7.178 19.425 1.00 0.00 H new ATOM 0 HA MET A 128 -7.652 -9.519 20.977 1.00 0.00 H new ATOM 0 HB2 MET A 128 -7.157 -7.101 21.548 1.00 0.00 H new ATOM 0 HB3 MET A 128 -8.870 -6.867 21.836 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.789 -7.186 23.966 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.782 -8.595 23.648 1.00 0.00 H new ATOM 0 HE1 MET A 128 -4.149 -8.497 23.320 1.00 0.00 H new ATOM 0 HE2 MET A 128 -5.148 -7.869 21.987 1.00 0.00 H new ATOM 0 HE3 MET A 128 -5.201 -7.085 23.584 1.00 0.00 H new