USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 CYS SG : rot -87:sc= 0.752 USER MOD Set 1.2: A 122 CYS SG : rot -55:sc= -0.326 USER MOD Set 2.1: A 100 TYR OH : rot 164:sc= 0.961 USER MOD Set 2.2: A 102 CYS SG : rot -143:sc= 0.671 USER MOD Set 2.3: A 105 CYS SG : rot -21:sc= 1.54 USER MOD Set 2.4: A 118 HIS : no HD1:sc= 0.105 K(o=4.2,f=3.6) USER MOD Set 2.5: A 123 ASN : amide:sc= 0.00329 K(o=4.2,f=1.5!) USER MOD Set 2.6: A 125 CYS SG : rot 30:sc= 0.883 USER MOD Set 3.1: A 87 CYS SG : rot -125:sc= 0.433 USER MOD Set 3.2: A 90 CYS SG : rot -60:sc= 0.394 USER MOD Set 3.3: A 101 HIS : no HD1:sc= -0.0129 X(o=-0.78,f=-0.77) USER MOD Set 3.4: A 108 CYS SG : rot -37:sc= -1.59 USER MOD Set 4.1: A 62 CYS SG : rot -113:sc= 0.0893 USER MOD Set 4.2: A 64 ASN : amide:sc= 1.35 K(o=0.27,f=-2.6) USER MOD Set 4.3: A 65 CYS SG : rot -113:sc=-0.00231 USER MOD Set 4.4: A 75 CYS SG : rot -136:sc= -2.84! USER MOD Set 4.5: A 78 CYS SG : rot -167:sc= 1.54! USER MOD Set 4.6: A 80 THR OG1 : rot 85:sc= 0.139 USER MOD Set 5.1: A 20 CYS SG : rot -110:sc= -1.34 USER MOD Set 5.2: A 22 HIS : no HD1:sc= -0.305 K(o=-4.7,f=-6.5) USER MOD Set 5.3: A 40 CYS SG : rot 166:sc= -3.06! USER MOD Set 5.4: A 43 CYS SG : rot 168:sc= 0.0222 USER MOD Set 6.1: A 36 LYS NZ :NH3+ -167:sc= 0.211 (180deg=-1.33!) USER MOD Set 6.2: A 38 TYR OH : rot -145:sc= 1 USER MOD Set 7.1: A 33 CYS SG : rot 70:sc= 0.24 USER MOD Set 7.2: A 34 CYS SG : rot 149:sc= -1.01! USER MOD Set 7.3: A 44 HIS : no HD1:sc= -2.09 K(o=-2.9,f=-4.7) USER MOD Set 7.4: A 50 HIS : no HD1:sc= -0.0532 K(o=-2.9,f=-3.7) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.22 USER MOD Single : A 27 CYS SG : rot 91:sc= -6.78! USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0.459 (180deg=0.107) USER MOD Single : A 39 THR OG1 : rot -150:sc= 0.0091 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.12 X(o=0.12,f=-0.0071) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.136 F(o=-0.73,f=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0.562 (180deg=0.554) USER MOD Single : A 69 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.48) USER MOD Single : A 70 HIS : no HD1:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.213 F(o=-1.3!,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 150:sc= -0.173 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.503 K(o=-0.5,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 0.258 (180deg=0.0805) USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= 0.837 (180deg=0.186) USER MOD Single : A 98 LYS NZ :NH3+ 138:sc= -0.131 (180deg=-0.267) USER MOD Single : A 99 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.8) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0192 F(o=-1.5!,f=-0.019) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 172:sc= -0.141 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -10.916 7.812 -7.842 1.00 0.00 N ATOM 232 CA ARG A 18 -9.495 7.752 -7.429 1.00 0.00 C ATOM 233 C ARG A 18 -9.316 6.517 -6.527 1.00 0.00 C ATOM 234 O ARG A 18 -10.252 6.117 -5.811 1.00 0.00 O ATOM 235 CB ARG A 18 -8.960 9.038 -6.692 1.00 0.00 C ATOM 236 CG ARG A 18 -9.421 9.235 -5.223 1.00 0.00 C ATOM 237 CD ARG A 18 -10.929 9.486 -5.089 1.00 0.00 C ATOM 238 NE ARG A 18 -11.381 9.464 -3.686 1.00 0.00 N ATOM 239 CZ ARG A 18 -11.946 8.407 -3.065 1.00 0.00 C ATOM 240 NH1 ARG A 18 -12.010 7.214 -3.660 1.00 0.00 N ATOM 241 NH2 ARG A 18 -12.421 8.548 -1.836 1.00 0.00 N ATOM 0 HA ARG A 18 -8.902 7.688 -8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.870 9.012 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.266 9.913 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.154 8.351 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.880 10.076 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.174 10.451 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.472 8.729 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.257 10.317 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.629 7.091 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.440 6.426 -3.177 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.358 9.451 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.849 7.754 -1.361 1.00 0.00 H new ATOM 255 N GLY A 19 -8.119 5.932 -6.568 1.00 0.00 N ATOM 256 CA GLY A 19 -7.800 4.751 -5.783 1.00 0.00 C ATOM 257 C GLY A 19 -8.407 3.495 -6.392 1.00 0.00 C ATOM 258 O GLY A 19 -8.425 3.344 -7.621 1.00 0.00 O ATOM 0 H GLY A 19 -7.348 6.266 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.718 4.638 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.170 4.878 -4.766 1.00 0.00 H new ATOM 262 N CYS A 20 -8.872 2.589 -5.529 1.00 0.00 N ATOM 263 CA CYS A 20 -9.482 1.310 -5.926 1.00 0.00 C ATOM 264 C CYS A 20 -10.285 0.744 -4.750 1.00 0.00 C ATOM 265 O CYS A 20 -10.133 1.210 -3.615 1.00 0.00 O ATOM 266 CB CYS A 20 -8.380 0.319 -6.370 1.00 0.00 C ATOM 267 SG CYS A 20 -8.939 -1.359 -6.811 1.00 0.00 S ATOM 0 H CYS A 20 -8.837 2.722 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.158 1.468 -6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.862 0.745 -7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.649 0.237 -5.566 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.536 -2.202 -5.907 1.00 0.00 H new ATOM 272 N GLU A 21 -11.109 -0.288 -5.034 1.00 0.00 N ATOM 273 CA GLU A 21 -11.930 -1.007 -4.027 1.00 0.00 C ATOM 274 C GLU A 21 -11.092 -1.520 -2.825 1.00 0.00 C ATOM 275 O GLU A 21 -11.605 -1.662 -1.714 1.00 0.00 O ATOM 276 CB GLU A 21 -12.653 -2.202 -4.710 1.00 0.00 C ATOM 277 CG GLU A 21 -11.700 -3.235 -5.342 1.00 0.00 C ATOM 278 CD GLU A 21 -12.413 -4.450 -5.956 1.00 0.00 C ATOM 279 OE1 GLU A 21 -12.876 -5.323 -5.191 1.00 0.00 O ATOM 280 OE2 GLU A 21 -12.491 -4.552 -7.197 1.00 0.00 O ATOM 0 H GLU A 21 -11.226 -0.652 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.655 -0.297 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.279 -2.704 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.318 -1.817 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.110 -2.744 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.002 -3.583 -4.581 1.00 0.00 H new ATOM 287 N HIS A 22 -9.800 -1.786 -3.084 1.00 0.00 N ATOM 288 CA HIS A 22 -8.856 -2.326 -2.090 1.00 0.00 C ATOM 289 C HIS A 22 -8.236 -1.204 -1.229 1.00 0.00 C ATOM 290 O HIS A 22 -8.111 -1.351 -0.008 1.00 0.00 O ATOM 291 CB HIS A 22 -7.754 -3.144 -2.820 1.00 0.00 C ATOM 292 CG HIS A 22 -8.292 -4.337 -3.577 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.343 -4.378 -4.961 1.00 0.00 N ATOM 294 CD2 HIS A 22 -8.810 -5.493 -3.092 1.00 0.00 C ATOM 295 CE1 HIS A 22 -8.889 -5.539 -5.266 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.187 -6.244 -4.168 1.00 0.00 N ATOM 0 H HIS A 22 -9.377 -1.630 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.400 -2.982 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.227 -2.490 -3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.023 -3.487 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.906 -5.767 -2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.073 -5.878 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.616 -7.169 -4.140 1.00 0.00 H new ATOM 304 N TYR A 23 -7.838 -0.084 -1.875 1.00 0.00 N ATOM 305 CA TYR A 23 -7.146 1.047 -1.195 1.00 0.00 C ATOM 306 C TYR A 23 -7.707 2.398 -1.680 1.00 0.00 C ATOM 307 O TYR A 23 -7.631 2.702 -2.878 1.00 0.00 O ATOM 308 CB TYR A 23 -5.614 1.005 -1.464 1.00 0.00 C ATOM 309 CG TYR A 23 -4.918 -0.303 -1.040 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.565 -0.545 0.292 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.649 -1.308 -1.973 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.958 -1.731 0.665 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.050 -2.492 -1.603 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.712 -2.702 -0.285 1.00 0.00 C ATOM 315 OH TYR A 23 -3.118 -3.890 0.087 1.00 0.00 O ATOM 0 H TYR A 23 -7.983 0.066 -2.873 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.323 0.944 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.442 1.163 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.144 1.837 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.770 0.206 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.917 -1.153 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.678 -1.896 1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.847 -3.252 -2.343 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.016 -4.465 -0.700 1.00 0.00 H new ATOM 325 N ASP A 24 -8.245 3.205 -0.740 1.00 0.00 N ATOM 326 CA ASP A 24 -8.700 4.585 -1.017 1.00 0.00 C ATOM 327 C ASP A 24 -7.508 5.512 -0.852 1.00 0.00 C ATOM 328 O ASP A 24 -7.117 5.837 0.273 1.00 0.00 O ATOM 329 CB ASP A 24 -9.847 5.024 -0.069 1.00 0.00 C ATOM 330 CG ASP A 24 -11.152 4.271 -0.333 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.916 4.691 -1.225 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.417 3.250 0.332 1.00 0.00 O ATOM 0 H ASP A 24 -8.376 2.919 0.230 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.095 4.629 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.541 4.861 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.020 6.094 -0.186 1.00 0.00 H new ATOM 337 N ARG A 25 -6.892 5.882 -1.976 1.00 0.00 N ATOM 338 CA ARG A 25 -5.658 6.668 -1.976 1.00 0.00 C ATOM 339 C ARG A 25 -5.602 7.635 -3.160 1.00 0.00 C ATOM 340 O ARG A 25 -6.338 7.485 -4.146 1.00 0.00 O ATOM 341 CB ARG A 25 -4.439 5.712 -1.991 1.00 0.00 C ATOM 342 CG ARG A 25 -4.385 4.713 -3.158 1.00 0.00 C ATOM 343 CD ARG A 25 -3.150 3.787 -3.113 1.00 0.00 C ATOM 344 NE ARG A 25 -3.033 3.045 -1.849 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.114 2.104 -1.589 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.230 1.725 -2.512 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.082 1.552 -0.391 1.00 0.00 N ATOM 0 H ARG A 25 -7.233 5.646 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.635 7.272 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.530 6.313 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.430 5.151 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.288 4.103 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.384 5.264 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.204 3.079 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.250 4.384 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.704 3.263 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.244 2.153 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.539 1.007 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.751 1.842 0.322 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.389 0.835 -0.178 1.00 0.00 H new ATOM 361 N GLY A 26 -4.693 8.619 -3.036 1.00 0.00 N ATOM 362 CA GLY A 26 -4.372 9.551 -4.113 1.00 0.00 C ATOM 363 C GLY A 26 -3.130 9.123 -4.887 1.00 0.00 C ATOM 364 O GLY A 26 -2.466 9.959 -5.524 1.00 0.00 O ATOM 0 H GLY A 26 -4.163 8.784 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.219 9.621 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.215 10.546 -3.697 1.00 0.00 H new ATOM 368 N CYS A 27 -2.822 7.800 -4.861 1.00 0.00 N ATOM 369 CA CYS A 27 -1.646 7.239 -5.543 1.00 0.00 C ATOM 370 C CYS A 27 -1.914 5.866 -6.182 1.00 0.00 C ATOM 371 O CYS A 27 -2.938 5.222 -5.944 1.00 0.00 O ATOM 372 CB CYS A 27 -0.452 7.133 -4.576 1.00 0.00 C ATOM 373 SG CYS A 27 -0.731 6.086 -3.130 1.00 0.00 S ATOM 0 H CYS A 27 -3.383 7.105 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.409 7.932 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.407 6.747 -5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.190 8.135 -4.235 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.363 4.868 -3.398 1.00 0.00 H new ATOM 379 N LEU A 28 -0.972 5.475 -7.042 1.00 0.00 N ATOM 380 CA LEU A 28 -0.858 4.142 -7.638 1.00 0.00 C ATOM 381 C LEU A 28 0.537 3.597 -7.257 1.00 0.00 C ATOM 382 O LEU A 28 1.300 4.277 -6.562 1.00 0.00 O ATOM 383 CB LEU A 28 -1.041 4.226 -9.190 1.00 0.00 C ATOM 384 CG LEU A 28 -2.350 4.931 -9.707 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.372 5.049 -11.243 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.617 4.215 -9.201 1.00 0.00 C ATOM 0 H LEU A 28 -0.235 6.106 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.634 3.472 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.183 4.753 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.018 3.213 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.344 5.941 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.292 5.541 -11.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.515 5.635 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.324 4.054 -11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.501 4.730 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.619 3.184 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.629 4.224 -8.111 1.00 0.00 H new ATOM 398 N LEU A 29 0.867 2.389 -7.706 1.00 0.00 N ATOM 399 CA LEU A 29 2.161 1.724 -7.414 1.00 0.00 C ATOM 400 C LEU A 29 2.815 1.390 -8.758 1.00 0.00 C ATOM 401 O LEU A 29 2.238 0.624 -9.553 1.00 0.00 O ATOM 402 CB LEU A 29 1.954 0.417 -6.575 1.00 0.00 C ATOM 403 CG LEU A 29 1.297 0.577 -5.159 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.164 -0.790 -4.434 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.070 1.601 -4.287 1.00 0.00 C ATOM 0 H LEU A 29 0.247 1.828 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 29 2.794 2.386 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.338 -0.267 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.925 -0.060 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 29 0.291 0.967 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.705 -0.640 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.541 -1.458 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.152 -1.232 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.588 1.687 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.098 1.263 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.068 2.573 -4.780 1.00 0.00 H new ATOM 417 N LYS A 30 3.982 1.993 -9.043 1.00 0.00 N ATOM 418 CA LYS A 30 4.692 1.752 -10.302 1.00 0.00 C ATOM 419 C LYS A 30 5.491 0.449 -10.208 1.00 0.00 C ATOM 420 O LYS A 30 6.537 0.402 -9.547 1.00 0.00 O ATOM 421 CB LYS A 30 5.630 2.919 -10.679 1.00 0.00 C ATOM 422 CG LYS A 30 6.194 2.764 -12.100 1.00 0.00 C ATOM 423 CD LYS A 30 7.257 3.807 -12.460 1.00 0.00 C ATOM 424 CE LYS A 30 7.834 3.533 -13.847 1.00 0.00 C ATOM 425 NZ LYS A 30 8.999 4.401 -14.159 1.00 0.00 N ATOM 0 H LYS A 30 4.449 2.649 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 30 3.942 1.671 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.086 3.861 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.452 2.969 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.626 1.768 -12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.375 2.832 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.818 4.805 -12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.056 3.790 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.136 2.488 -13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.058 3.688 -14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.627 3.911 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.666 5.290 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.520 4.610 -13.284 1.00 0.00 H new ATOM 439 N ALA A 31 4.974 -0.599 -10.866 1.00 0.00 N ATOM 440 CA ALA A 31 5.601 -1.926 -10.912 1.00 0.00 C ATOM 441 C ALA A 31 6.779 -1.885 -11.891 1.00 0.00 C ATOM 442 O ALA A 31 6.532 -1.861 -13.084 1.00 0.00 O ATOM 443 CB ALA A 31 4.562 -2.984 -11.346 1.00 0.00 C ATOM 0 H ALA A 31 4.099 -0.547 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 31 5.969 -2.199 -9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.034 -3.966 -11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.739 -3.000 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.179 -2.733 -12.335 1.00 0.00 H new ATOM 449 N PRO A 32 8.072 -1.881 -11.418 1.00 0.00 N ATOM 450 CA PRO A 32 9.254 -1.637 -12.299 1.00 0.00 C ATOM 451 C PRO A 32 9.488 -2.789 -13.300 1.00 0.00 C ATOM 452 O PRO A 32 10.148 -2.601 -14.323 1.00 0.00 O ATOM 453 CB PRO A 32 10.425 -1.498 -11.290 1.00 0.00 C ATOM 454 CG PRO A 32 10.001 -2.320 -10.113 1.00 0.00 C ATOM 455 CD PRO A 32 8.496 -2.154 -10.015 1.00 0.00 C ATOM 0 HA PRO A 32 9.131 -0.759 -12.933 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.360 -1.864 -11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.587 -0.457 -11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.271 -3.367 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.492 -1.980 -9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.020 -3.052 -9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.227 -1.333 -9.350 1.00 0.00 H new ATOM 463 N CYS A 33 8.916 -3.969 -12.982 1.00 0.00 N ATOM 464 CA CYS A 33 8.950 -5.166 -13.844 1.00 0.00 C ATOM 465 C CYS A 33 8.145 -4.953 -15.142 1.00 0.00 C ATOM 466 O CYS A 33 8.384 -5.619 -16.155 1.00 0.00 O ATOM 467 CB CYS A 33 8.376 -6.365 -13.063 1.00 0.00 C ATOM 468 SG CYS A 33 6.705 -6.081 -12.396 1.00 0.00 S ATOM 0 H CYS A 33 8.412 -4.118 -12.108 1.00 0.00 H new ATOM 0 HA CYS A 33 9.985 -5.360 -14.125 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.351 -7.235 -13.719 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.049 -6.605 -12.240 1.00 0.00 H new ATOM 0 HG CYS A 33 5.850 -6.033 -13.374 1.00 0.00 H new ATOM 473 N CYS A 34 7.182 -4.019 -15.092 1.00 0.00 N ATOM 474 CA CYS A 34 6.268 -3.729 -16.213 1.00 0.00 C ATOM 475 C CYS A 34 6.221 -2.222 -16.557 1.00 0.00 C ATOM 476 O CYS A 34 5.729 -1.847 -17.623 1.00 0.00 O ATOM 477 CB CYS A 34 4.859 -4.249 -15.849 1.00 0.00 C ATOM 478 SG CYS A 34 4.754 -6.060 -15.727 1.00 0.00 S ATOM 0 H CYS A 34 7.013 -3.440 -14.270 1.00 0.00 H new ATOM 0 HA CYS A 34 6.639 -4.237 -17.103 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.555 -3.812 -14.898 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.149 -3.903 -16.600 1.00 0.00 H new ATOM 0 HG CYS A 34 3.858 -6.384 -14.842 1.00 0.00 H new ATOM 483 N ASP A 35 6.745 -1.378 -15.641 1.00 0.00 N ATOM 484 CA ASP A 35 6.568 0.104 -15.635 1.00 0.00 C ATOM 485 C ASP A 35 5.076 0.526 -15.622 1.00 0.00 C ATOM 486 O ASP A 35 4.756 1.692 -15.868 1.00 0.00 O ATOM 487 CB ASP A 35 7.349 0.773 -16.805 1.00 0.00 C ATOM 488 CG ASP A 35 8.871 0.795 -16.575 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.502 -0.287 -16.596 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.445 1.888 -16.353 1.00 0.00 O ATOM 0 H ASP A 35 7.317 -1.709 -14.864 1.00 0.00 H new ATOM 0 HA ASP A 35 6.996 0.468 -14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.134 0.239 -17.731 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.992 1.794 -16.936 1.00 0.00 H new ATOM 495 N LYS A 36 4.182 -0.418 -15.270 1.00 0.00 N ATOM 496 CA LYS A 36 2.722 -0.209 -15.304 1.00 0.00 C ATOM 497 C LYS A 36 2.206 0.209 -13.921 1.00 0.00 C ATOM 498 O LYS A 36 2.808 -0.121 -12.890 1.00 0.00 O ATOM 499 CB LYS A 36 1.998 -1.487 -15.800 1.00 0.00 C ATOM 500 CG LYS A 36 2.326 -1.905 -17.255 1.00 0.00 C ATOM 501 CD LYS A 36 1.456 -3.087 -17.780 1.00 0.00 C ATOM 502 CE LYS A 36 0.076 -2.647 -18.330 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.815 -2.042 -17.298 1.00 0.00 N ATOM 0 H LYS A 36 4.453 -1.349 -14.953 1.00 0.00 H new ATOM 0 HA LYS A 36 2.506 0.596 -16.006 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.254 -2.312 -15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.922 -1.332 -15.717 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.188 -1.045 -17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.378 -2.185 -17.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.002 -3.607 -18.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.304 -3.802 -16.971 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.228 -1.927 -19.134 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.424 -3.512 -18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.783 -1.974 -17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.814 -2.638 -16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.470 -1.091 -17.056 1.00 0.00 H new ATOM 517 N LEU A 37 1.071 0.924 -13.926 1.00 0.00 N ATOM 518 CA LEU A 37 0.518 1.592 -12.740 1.00 0.00 C ATOM 519 C LEU A 37 -0.721 0.852 -12.228 1.00 0.00 C ATOM 520 O LEU A 37 -1.726 0.735 -12.946 1.00 0.00 O ATOM 521 CB LEU A 37 0.176 3.073 -13.070 1.00 0.00 C ATOM 522 CG LEU A 37 1.395 4.019 -13.338 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.443 3.871 -12.218 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.027 3.810 -14.738 1.00 0.00 C ATOM 0 H LEU A 37 0.505 1.056 -14.764 1.00 0.00 H new ATOM 0 HA LEU A 37 1.270 1.576 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.470 3.088 -13.948 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.402 3.484 -12.242 1.00 0.00 H new ATOM 0 HG LEU A 37 1.016 5.041 -13.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.285 4.534 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.992 4.134 -11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.794 2.840 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.866 4.494 -14.864 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.379 2.782 -14.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.280 4.006 -15.507 1.00 0.00 H new ATOM 536 N TYR A 38 -0.627 0.351 -10.986 1.00 0.00 N ATOM 537 CA TYR A 38 -1.708 -0.376 -10.306 1.00 0.00 C ATOM 538 C TYR A 38 -1.819 0.127 -8.864 1.00 0.00 C ATOM 539 O TYR A 38 -0.814 0.166 -8.161 1.00 0.00 O ATOM 540 CB TYR A 38 -1.421 -1.900 -10.308 1.00 0.00 C ATOM 541 CG TYR A 38 -1.289 -2.520 -11.705 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.420 -2.875 -12.442 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.036 -2.764 -12.280 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.306 -3.446 -13.692 1.00 0.00 C ATOM 545 CE2 TYR A 38 0.078 -3.340 -13.527 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.059 -3.682 -14.228 1.00 0.00 C ATOM 547 OH TYR A 38 -0.948 -4.264 -15.471 1.00 0.00 O ATOM 0 H TYR A 38 0.216 0.442 -10.418 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.645 -0.200 -10.834 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.501 -2.084 -9.754 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.223 -2.409 -9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.401 -2.699 -12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.858 -2.496 -11.736 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.193 -3.708 -14.250 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.053 -3.523 -13.953 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.159 -4.846 -15.491 1.00 0.00 H new ATOM 557 N THR A 39 -3.041 0.493 -8.430 1.00 0.00 N ATOM 558 CA THR A 39 -3.316 0.945 -7.044 1.00 0.00 C ATOM 559 C THR A 39 -2.875 -0.117 -6.007 1.00 0.00 C ATOM 560 O THR A 39 -2.446 0.202 -4.886 1.00 0.00 O ATOM 561 CB THR A 39 -4.846 1.214 -6.846 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.389 1.899 -7.987 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.139 2.023 -5.576 1.00 0.00 C ATOM 0 H THR A 39 -3.868 0.485 -9.027 1.00 0.00 H new ATOM 0 HA THR A 39 -2.748 1.862 -6.889 1.00 0.00 H new ATOM 0 HB THR A 39 -5.324 0.240 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.138 2.464 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.214 2.182 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.779 1.476 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.633 2.987 -5.634 1.00 0.00 H new ATOM 571 N CYS A 40 -2.998 -1.389 -6.419 1.00 0.00 N ATOM 572 CA CYS A 40 -2.773 -2.545 -5.553 1.00 0.00 C ATOM 573 C CYS A 40 -1.798 -3.519 -6.221 1.00 0.00 C ATOM 574 O CYS A 40 -1.836 -3.697 -7.446 1.00 0.00 O ATOM 575 CB CYS A 40 -4.111 -3.262 -5.301 1.00 0.00 C ATOM 576 SG CYS A 40 -5.554 -2.182 -5.255 1.00 0.00 S ATOM 0 H CYS A 40 -3.259 -1.640 -7.372 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.350 -2.205 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.259 -4.009 -6.081 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.046 -3.798 -4.354 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.635 -2.899 -5.342 1.00 0.00 H new ATOM 581 N ARG A 41 -0.976 -4.179 -5.397 1.00 0.00 N ATOM 582 CA ARG A 41 -0.052 -5.229 -5.855 1.00 0.00 C ATOM 583 C ARG A 41 -0.812 -6.473 -6.407 1.00 0.00 C ATOM 584 O ARG A 41 -0.363 -7.097 -7.376 1.00 0.00 O ATOM 585 CB ARG A 41 0.976 -5.622 -4.738 1.00 0.00 C ATOM 586 CG ARG A 41 0.412 -6.194 -3.408 1.00 0.00 C ATOM 587 CD ARG A 41 -0.217 -5.138 -2.471 1.00 0.00 C ATOM 588 NE ARG A 41 0.701 -4.008 -2.197 1.00 0.00 N ATOM 589 CZ ARG A 41 0.544 -3.093 -1.219 1.00 0.00 C ATOM 590 NH1 ARG A 41 -0.463 -3.174 -0.356 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.419 -2.103 -1.106 1.00 0.00 N ATOM 0 H ARG A 41 -0.931 -4.002 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 41 0.518 -4.813 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.661 -6.359 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.567 -4.738 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.340 -6.948 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.217 -6.701 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.134 -4.757 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.497 -5.612 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 41 1.520 -3.914 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.135 -3.938 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.564 -2.472 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.203 -2.038 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.308 -1.406 -0.369 1.00 0.00 H new ATOM 605 N LEU A 42 -1.981 -6.802 -5.812 1.00 0.00 N ATOM 606 CA LEU A 42 -2.835 -7.919 -6.300 1.00 0.00 C ATOM 607 C LEU A 42 -3.547 -7.562 -7.629 1.00 0.00 C ATOM 608 O LEU A 42 -3.798 -8.441 -8.455 1.00 0.00 O ATOM 609 CB LEU A 42 -3.882 -8.387 -5.237 1.00 0.00 C ATOM 610 CG LEU A 42 -5.024 -7.387 -4.813 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.264 -8.154 -4.292 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.546 -6.378 -3.741 1.00 0.00 C ATOM 0 H LEU A 42 -2.357 -6.316 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.156 -8.752 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.358 -9.291 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.336 -8.668 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.297 -6.825 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.038 -7.442 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.644 -8.807 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.984 -8.753 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.366 -5.709 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.221 -6.918 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.714 -5.795 -4.136 1.00 0.00 H new ATOM 624 N CYS A 43 -3.851 -6.261 -7.837 1.00 0.00 N ATOM 625 CA CYS A 43 -4.542 -5.783 -9.065 1.00 0.00 C ATOM 626 C CYS A 43 -3.630 -5.884 -10.316 1.00 0.00 C ATOM 627 O CYS A 43 -4.133 -5.966 -11.439 1.00 0.00 O ATOM 628 CB CYS A 43 -5.130 -4.354 -8.865 1.00 0.00 C ATOM 629 SG CYS A 43 -6.851 -4.365 -8.224 1.00 0.00 S ATOM 0 H CYS A 43 -3.630 -5.520 -7.172 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.386 -6.447 -9.249 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.495 -3.800 -8.174 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.106 -3.822 -9.816 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.181 -3.166 -7.846 1.00 0.00 H new ATOM 634 N HIS A 44 -2.298 -5.883 -10.102 1.00 0.00 N ATOM 635 CA HIS A 44 -1.294 -6.175 -11.159 1.00 0.00 C ATOM 636 C HIS A 44 -1.430 -7.631 -11.643 1.00 0.00 C ATOM 637 O HIS A 44 -1.507 -7.889 -12.848 1.00 0.00 O ATOM 638 CB HIS A 44 0.132 -5.883 -10.602 1.00 0.00 C ATOM 639 CG HIS A 44 1.302 -6.523 -11.327 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.581 -7.857 -11.196 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.327 -6.000 -12.095 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.707 -8.111 -11.834 1.00 0.00 C ATOM 643 NE2 HIS A 44 3.213 -7.044 -12.402 1.00 0.00 N ATOM 0 H HIS A 44 -1.883 -5.680 -9.193 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.467 -5.532 -12.022 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.282 -4.803 -10.605 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.161 -6.206 -9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.428 -4.970 -12.404 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.161 -9.090 -11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 44 4.070 -6.985 -12.952 1.00 0.00 H new ATOM 651 N ASP A 45 -1.484 -8.558 -10.668 1.00 0.00 N ATOM 652 CA ASP A 45 -1.565 -10.017 -10.909 1.00 0.00 C ATOM 653 C ASP A 45 -2.830 -10.393 -11.707 1.00 0.00 C ATOM 654 O ASP A 45 -2.817 -11.344 -12.489 1.00 0.00 O ATOM 655 CB ASP A 45 -1.532 -10.756 -9.542 1.00 0.00 C ATOM 656 CG ASP A 45 -1.705 -12.285 -9.645 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.755 -12.972 -10.074 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.791 -12.803 -9.286 1.00 0.00 O ATOM 0 H ASP A 45 -1.473 -8.315 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.710 -10.322 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.584 -10.541 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.321 -10.355 -8.906 1.00 0.00 H new ATOM 663 N ASN A 46 -3.910 -9.621 -11.489 1.00 0.00 N ATOM 664 CA ASN A 46 -5.205 -9.801 -12.180 1.00 0.00 C ATOM 665 C ASN A 46 -5.056 -9.692 -13.721 1.00 0.00 C ATOM 666 O ASN A 46 -5.701 -10.438 -14.472 1.00 0.00 O ATOM 667 CB ASN A 46 -6.229 -8.761 -11.651 1.00 0.00 C ATOM 668 CG ASN A 46 -7.631 -8.890 -12.274 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.480 -9.638 -11.783 1.00 0.00 O ATOM 670 ND2 ASN A 46 -7.883 -8.171 -13.359 1.00 0.00 N ATOM 0 H ASN A 46 -3.911 -8.848 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.569 -10.806 -11.964 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.312 -8.866 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.847 -7.759 -11.845 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.797 -8.229 -13.808 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.163 -7.560 -13.745 1.00 0.00 H new ATOM 677 N ASN A 47 -4.185 -8.775 -14.168 1.00 0.00 N ATOM 678 CA ASN A 47 -3.951 -8.508 -15.602 1.00 0.00 C ATOM 679 C ASN A 47 -2.887 -9.465 -16.169 1.00 0.00 C ATOM 680 O ASN A 47 -2.980 -9.908 -17.320 1.00 0.00 O ATOM 681 CB ASN A 47 -3.484 -7.038 -15.803 1.00 0.00 C ATOM 682 CG ASN A 47 -4.549 -6.003 -15.424 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.317 -5.538 -16.266 1.00 0.00 O ATOM 684 ND2 ASN A 47 -4.621 -5.650 -14.152 1.00 0.00 N ATOM 0 H ASN A 47 -3.620 -8.195 -13.547 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.888 -8.668 -16.134 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.590 -6.864 -15.205 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.203 -6.893 -16.846 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.325 -4.977 -13.848 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.972 -6.050 -13.474 1.00 0.00 H new ATOM 691 N GLU A 48 -1.879 -9.786 -15.340 1.00 0.00 N ATOM 692 CA GLU A 48 -0.627 -10.411 -15.798 1.00 0.00 C ATOM 693 C GLU A 48 -0.487 -11.869 -15.337 1.00 0.00 C ATOM 694 O GLU A 48 -1.357 -12.404 -14.649 1.00 0.00 O ATOM 695 CB GLU A 48 0.551 -9.557 -15.289 1.00 0.00 C ATOM 696 CG GLU A 48 0.429 -8.057 -15.657 1.00 0.00 C ATOM 697 CD GLU A 48 1.677 -7.231 -15.338 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.750 -7.831 -15.115 1.00 0.00 O ATOM 699 OE2 GLU A 48 1.592 -5.979 -15.299 1.00 0.00 O ATOM 0 H GLU A 48 -1.910 -9.619 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.633 -10.445 -16.887 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.618 -9.653 -14.205 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.480 -9.950 -15.702 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.213 -7.972 -16.722 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.421 -7.631 -15.124 1.00 0.00 H new ATOM 706 N ASP A 49 0.618 -12.511 -15.767 1.00 0.00 N ATOM 707 CA ASP A 49 0.927 -13.919 -15.440 1.00 0.00 C ATOM 708 C ASP A 49 1.654 -14.018 -14.090 1.00 0.00 C ATOM 709 O ASP A 49 1.514 -15.019 -13.377 1.00 0.00 O ATOM 710 CB ASP A 49 1.800 -14.559 -16.554 1.00 0.00 C ATOM 711 CG ASP A 49 1.155 -14.463 -17.949 1.00 0.00 C ATOM 712 OD1 ASP A 49 0.162 -15.176 -18.206 1.00 0.00 O ATOM 713 OD2 ASP A 49 1.621 -13.654 -18.786 1.00 0.00 O ATOM 0 H ASP A 49 1.324 -12.066 -16.353 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.016 -14.462 -15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.773 -14.067 -16.574 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.978 -15.607 -16.313 1.00 0.00 H new ATOM 718 N HIS A 50 2.428 -12.973 -13.743 1.00 0.00 N ATOM 719 CA HIS A 50 3.217 -12.937 -12.489 1.00 0.00 C ATOM 720 C HIS A 50 2.577 -11.961 -11.484 1.00 0.00 C ATOM 721 O HIS A 50 1.847 -11.042 -11.877 1.00 0.00 O ATOM 722 CB HIS A 50 4.716 -12.600 -12.770 1.00 0.00 C ATOM 723 CG HIS A 50 5.003 -11.261 -13.421 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.985 -11.048 -14.776 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.328 -10.060 -12.872 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.286 -9.761 -15.001 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.500 -9.098 -13.877 1.00 0.00 N ATOM 0 H HIS A 50 2.527 -12.135 -14.316 1.00 0.00 H new ATOM 0 HA HIS A 50 3.203 -13.930 -12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.257 -12.642 -11.825 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.127 -13.383 -13.407 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.438 -9.874 -11.814 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.347 -9.318 -15.984 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.736 -8.112 -13.767 1.00 0.00 H new ATOM 735 N GLN A 51 2.842 -12.195 -10.187 1.00 0.00 N ATOM 736 CA GLN A 51 2.296 -11.389 -9.072 1.00 0.00 C ATOM 737 C GLN A 51 3.285 -10.289 -8.655 1.00 0.00 C ATOM 738 O GLN A 51 4.503 -10.474 -8.741 1.00 0.00 O ATOM 739 CB GLN A 51 1.937 -12.295 -7.859 1.00 0.00 C ATOM 740 CG GLN A 51 3.112 -13.106 -7.275 1.00 0.00 C ATOM 741 CD GLN A 51 2.691 -14.013 -6.113 1.00 0.00 C ATOM 742 OE1 GLN A 51 2.722 -13.613 -4.949 1.00 0.00 O ATOM 743 NE2 GLN A 51 2.279 -15.233 -6.423 1.00 0.00 N ATOM 0 H GLN A 51 3.447 -12.955 -9.876 1.00 0.00 H new ATOM 0 HA GLN A 51 1.382 -10.908 -9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.520 -11.670 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.153 -12.989 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.554 -13.715 -8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.886 -12.419 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.265 -15.534 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.976 -15.871 -5.687 1.00 0.00 H new ATOM 752 N LEU A 52 2.735 -9.135 -8.239 1.00 0.00 N ATOM 753 CA LEU A 52 3.520 -7.984 -7.752 1.00 0.00 C ATOM 754 C LEU A 52 3.753 -8.161 -6.235 1.00 0.00 C ATOM 755 O LEU A 52 2.794 -8.289 -5.464 1.00 0.00 O ATOM 756 CB LEU A 52 2.740 -6.660 -8.069 1.00 0.00 C ATOM 757 CG LEU A 52 3.507 -5.284 -8.070 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.593 -4.138 -8.570 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.088 -4.920 -6.696 1.00 0.00 C ATOM 0 H LEU A 52 1.728 -8.972 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 52 4.489 -7.928 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.283 -6.779 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.928 -6.580 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 52 4.345 -5.408 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.148 -3.200 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.262 -4.354 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.725 -4.053 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.604 -3.962 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.281 -4.848 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.792 -5.691 -6.383 1.00 0.00 H new ATOM 771 N ASP A 53 5.033 -8.205 -5.834 1.00 0.00 N ATOM 772 CA ASP A 53 5.457 -8.139 -4.421 1.00 0.00 C ATOM 773 C ASP A 53 5.673 -6.653 -4.078 1.00 0.00 C ATOM 774 O ASP A 53 6.365 -5.955 -4.821 1.00 0.00 O ATOM 775 CB ASP A 53 6.771 -8.954 -4.227 1.00 0.00 C ATOM 776 CG ASP A 53 7.211 -9.132 -2.754 1.00 0.00 C ATOM 777 OD1 ASP A 53 7.417 -8.126 -2.040 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.343 -10.290 -2.297 1.00 0.00 O ATOM 0 H ASP A 53 5.813 -8.288 -6.486 1.00 0.00 H new ATOM 0 HA ASP A 53 4.703 -8.569 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.641 -9.939 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.573 -8.459 -4.774 1.00 0.00 H new ATOM 783 N ARG A 54 5.111 -6.174 -2.955 1.00 0.00 N ATOM 784 CA ARG A 54 5.102 -4.725 -2.619 1.00 0.00 C ATOM 785 C ARG A 54 6.492 -4.161 -2.216 1.00 0.00 C ATOM 786 O ARG A 54 6.603 -2.971 -1.892 1.00 0.00 O ATOM 787 CB ARG A 54 4.056 -4.405 -1.523 1.00 0.00 C ATOM 788 CG ARG A 54 4.324 -4.971 -0.095 1.00 0.00 C ATOM 789 CD ARG A 54 3.778 -6.393 0.139 1.00 0.00 C ATOM 790 NE ARG A 54 4.741 -7.455 -0.205 1.00 0.00 N ATOM 791 CZ ARG A 54 4.516 -8.767 -0.007 1.00 0.00 C ATOM 792 NH1 ARG A 54 3.313 -9.211 0.328 1.00 0.00 N ATOM 793 NH2 ARG A 54 5.496 -9.632 -0.175 1.00 0.00 N ATOM 0 H ARG A 54 4.655 -6.763 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 54 4.821 -4.221 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.968 -3.321 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.089 -4.780 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.399 -4.973 0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.879 -4.299 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.493 -6.497 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.873 -6.528 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 54 5.632 -7.179 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.540 -8.555 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.160 -10.209 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.421 -9.306 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.329 -10.627 -0.026 1.00 0.00 H new ATOM 807 N PHE A 55 7.529 -5.008 -2.223 1.00 0.00 N ATOM 808 CA PHE A 55 8.928 -4.579 -1.998 1.00 0.00 C ATOM 809 C PHE A 55 9.652 -4.323 -3.336 1.00 0.00 C ATOM 810 O PHE A 55 10.730 -3.720 -3.350 1.00 0.00 O ATOM 811 CB PHE A 55 9.687 -5.642 -1.163 1.00 0.00 C ATOM 812 CG PHE A 55 9.232 -5.717 0.300 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.037 -6.348 0.653 1.00 0.00 C ATOM 814 CD2 PHE A 55 9.997 -5.147 1.321 1.00 0.00 C ATOM 815 CE1 PHE A 55 7.624 -6.407 1.969 1.00 0.00 C ATOM 816 CE2 PHE A 55 9.581 -5.206 2.637 1.00 0.00 C ATOM 817 CZ PHE A 55 8.397 -5.837 2.962 1.00 0.00 C ATOM 0 H PHE A 55 7.429 -6.010 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 55 8.912 -3.642 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.552 -6.619 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.754 -5.420 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.426 -6.797 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.926 -4.653 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.696 -6.899 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.183 -4.758 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.075 -5.885 3.992 1.00 0.00 H new ATOM 827 N LYS A 56 9.058 -4.796 -4.453 1.00 0.00 N ATOM 828 CA LYS A 56 9.631 -4.613 -5.806 1.00 0.00 C ATOM 829 C LYS A 56 9.393 -3.183 -6.307 1.00 0.00 C ATOM 830 O LYS A 56 10.265 -2.599 -6.959 1.00 0.00 O ATOM 831 CB LYS A 56 8.996 -5.622 -6.805 1.00 0.00 C ATOM 832 CG LYS A 56 9.153 -7.105 -6.406 1.00 0.00 C ATOM 833 CD LYS A 56 10.619 -7.584 -6.361 1.00 0.00 C ATOM 834 CE LYS A 56 11.315 -7.518 -7.730 1.00 0.00 C ATOM 835 NZ LYS A 56 12.710 -8.022 -7.668 1.00 0.00 N ATOM 0 H LYS A 56 8.177 -5.310 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 56 10.704 -4.794 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.934 -5.396 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.446 -5.474 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.700 -7.258 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.600 -7.723 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.173 -6.973 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.649 -8.610 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.749 -8.105 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.317 -6.488 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.144 -7.960 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.258 -7.446 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.707 -9.013 -7.352 1.00 0.00 H new ATOM 849 N VAL A 57 8.219 -2.618 -5.958 1.00 0.00 N ATOM 850 CA VAL A 57 7.872 -1.228 -6.302 1.00 0.00 C ATOM 851 C VAL A 57 8.722 -0.257 -5.465 1.00 0.00 C ATOM 852 O VAL A 57 8.865 -0.431 -4.261 1.00 0.00 O ATOM 853 CB VAL A 57 6.328 -0.914 -6.130 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.499 -1.585 -7.239 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.805 -1.337 -4.746 1.00 0.00 C ATOM 0 H VAL A 57 7.493 -3.108 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 57 8.094 -1.092 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 57 6.214 0.167 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.444 -1.352 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.824 -1.214 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.641 -2.665 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.743 -1.104 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.951 -2.409 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.350 -0.798 -3.971 1.00 0.00 H new ATOM 865 N LYS A 58 9.332 0.709 -6.142 1.00 0.00 N ATOM 866 CA LYS A 58 10.143 1.777 -5.529 1.00 0.00 C ATOM 867 C LYS A 58 9.493 3.130 -5.850 1.00 0.00 C ATOM 868 O LYS A 58 9.582 4.088 -5.069 1.00 0.00 O ATOM 869 CB LYS A 58 11.602 1.707 -6.074 1.00 0.00 C ATOM 870 CG LYS A 58 12.557 2.825 -5.583 1.00 0.00 C ATOM 871 CD LYS A 58 12.760 2.830 -4.050 1.00 0.00 C ATOM 872 CE LYS A 58 13.662 3.986 -3.580 1.00 0.00 C ATOM 873 NZ LYS A 58 13.837 3.994 -2.104 1.00 0.00 N ATOM 0 H LYS A 58 9.281 0.781 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 58 10.185 1.652 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.028 0.743 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.565 1.738 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.525 2.706 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.162 3.792 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.790 2.907 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.200 1.881 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.637 3.902 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.230 4.935 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.451 4.788 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.910 4.100 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.273 3.100 -1.801 1.00 0.00 H new ATOM 887 N GLU A 59 8.839 3.189 -7.023 1.00 0.00 N ATOM 888 CA GLU A 59 8.111 4.367 -7.488 1.00 0.00 C ATOM 889 C GLU A 59 6.598 4.186 -7.331 1.00 0.00 C ATOM 890 O GLU A 59 6.086 3.072 -7.146 1.00 0.00 O ATOM 891 CB GLU A 59 8.459 4.691 -8.967 1.00 0.00 C ATOM 892 CG GLU A 59 9.876 5.237 -9.177 1.00 0.00 C ATOM 893 CD GLU A 59 10.107 5.769 -10.606 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.436 4.971 -11.510 1.00 0.00 O ATOM 895 OE2 GLU A 59 9.946 6.984 -10.831 1.00 0.00 O ATOM 0 H GLU A 59 8.805 2.407 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 59 8.422 5.206 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.339 3.786 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.742 5.419 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.061 6.038 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.599 4.449 -8.967 1.00 0.00 H new ATOM 902 N VAL A 60 5.914 5.325 -7.418 1.00 0.00 N ATOM 903 CA VAL A 60 4.451 5.454 -7.320 1.00 0.00 C ATOM 904 C VAL A 60 3.958 6.485 -8.344 1.00 0.00 C ATOM 905 O VAL A 60 4.749 7.046 -9.121 1.00 0.00 O ATOM 906 CB VAL A 60 3.989 5.869 -5.865 1.00 0.00 C ATOM 907 CG1 VAL A 60 4.282 4.758 -4.827 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.623 7.220 -5.444 1.00 0.00 C ATOM 0 H VAL A 60 6.377 6.222 -7.564 1.00 0.00 H new ATOM 0 HA VAL A 60 4.013 4.479 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 60 2.907 6.001 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.949 5.084 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.750 3.849 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.353 4.558 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.289 7.482 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.709 7.131 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.317 7.999 -6.143 1.00 0.00 H new ATOM 918 N GLN A 61 2.637 6.715 -8.353 1.00 0.00 N ATOM 919 CA GLN A 61 2.008 7.631 -9.306 1.00 0.00 C ATOM 920 C GLN A 61 0.961 8.484 -8.595 1.00 0.00 C ATOM 921 O GLN A 61 0.112 7.954 -7.911 1.00 0.00 O ATOM 922 CB GLN A 61 1.333 6.814 -10.442 1.00 0.00 C ATOM 923 CG GLN A 61 1.326 7.487 -11.838 1.00 0.00 C ATOM 924 CD GLN A 61 -0.059 7.830 -12.413 1.00 0.00 C ATOM 925 OE1 GLN A 61 -1.003 8.218 -11.565 1.00 0.00 O flip ATOM 926 NE2 GLN A 61 -0.266 7.788 -13.624 1.00 0.00 N flip ATOM 0 H GLN A 61 1.983 6.275 -7.706 1.00 0.00 H new ATOM 0 HA GLN A 61 2.770 8.285 -9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.840 5.853 -10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.303 6.607 -10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.911 8.405 -11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.836 6.828 -12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.474 7.487 -14.258 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.178 8.055 -13.995 1.00 0.00 H new ATOM 935 N CYS A 62 1.011 9.789 -8.795 1.00 0.00 N ATOM 936 CA CYS A 62 -0.030 10.713 -8.311 1.00 0.00 C ATOM 937 C CYS A 62 -1.217 10.633 -9.262 1.00 0.00 C ATOM 938 O CYS A 62 -1.036 10.919 -10.423 1.00 0.00 O ATOM 939 CB CYS A 62 0.517 12.144 -8.288 1.00 0.00 C ATOM 940 SG CYS A 62 -0.702 13.427 -7.882 1.00 0.00 S ATOM 0 H CYS A 62 1.770 10.250 -9.297 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.336 10.439 -7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.330 12.194 -7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.946 12.368 -9.264 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.900 14.182 -8.922 1.00 0.00 H new ATOM 945 N ILE A 63 -2.408 10.232 -8.794 1.00 0.00 N ATOM 946 CA ILE A 63 -3.580 10.033 -9.689 1.00 0.00 C ATOM 947 C ILE A 63 -4.088 11.411 -10.172 1.00 0.00 C ATOM 948 O ILE A 63 -4.468 11.589 -11.336 1.00 0.00 O ATOM 949 CB ILE A 63 -4.736 9.239 -8.972 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.158 8.012 -8.206 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.806 8.766 -9.986 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.178 7.211 -7.419 1.00 0.00 C ATOM 0 H ILE A 63 -2.594 10.038 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.264 9.435 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.211 9.916 -8.262 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.673 7.350 -8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.385 8.361 -7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.590 8.221 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.239 9.631 -10.488 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.343 8.112 -10.725 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.681 6.379 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.647 7.852 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.940 6.826 -8.097 1.00 0.00 H new ATOM 964 N ASN A 64 -4.024 12.386 -9.250 1.00 0.00 N ATOM 965 CA ASN A 64 -4.357 13.794 -9.510 1.00 0.00 C ATOM 966 C ASN A 64 -3.123 14.536 -10.077 1.00 0.00 C ATOM 967 O ASN A 64 -2.371 15.176 -9.340 1.00 0.00 O ATOM 968 CB ASN A 64 -4.853 14.445 -8.208 1.00 0.00 C ATOM 969 CG ASN A 64 -5.344 15.896 -8.354 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.505 16.146 -8.673 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.468 16.853 -8.099 1.00 0.00 N ATOM 0 H ASN A 64 -3.734 12.214 -8.287 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.151 13.856 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.665 13.841 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.045 14.422 -7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.748 17.832 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.512 16.613 -7.837 1.00 0.00 H new ATOM 978 N CYS A 65 -2.875 14.230 -11.348 1.00 0.00 N ATOM 979 CA CYS A 65 -1.962 14.918 -12.322 1.00 0.00 C ATOM 980 C CYS A 65 -1.114 13.869 -13.061 1.00 0.00 C ATOM 981 O CYS A 65 -0.373 14.201 -13.995 1.00 0.00 O ATOM 982 CB CYS A 65 -1.054 16.075 -11.765 1.00 0.00 C ATOM 983 SG CYS A 65 0.380 15.590 -10.733 1.00 0.00 S ATOM 0 H CYS A 65 -3.335 13.430 -11.782 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.637 15.442 -12.999 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.681 16.650 -12.613 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.682 16.744 -11.177 1.00 0.00 H new ATOM 0 HG CYS A 65 0.198 16.004 -9.514 1.00 0.00 H new ATOM 988 N GLU A 66 -1.234 12.592 -12.606 1.00 0.00 N ATOM 989 CA GLU A 66 -0.690 11.387 -13.295 1.00 0.00 C ATOM 990 C GLU A 66 0.849 11.394 -13.381 1.00 0.00 C ATOM 991 O GLU A 66 1.443 10.688 -14.209 1.00 0.00 O ATOM 992 CB GLU A 66 -1.372 11.174 -14.674 1.00 0.00 C ATOM 993 CG GLU A 66 -2.898 10.948 -14.586 1.00 0.00 C ATOM 994 CD GLU A 66 -3.557 10.766 -15.963 1.00 0.00 C ATOM 995 OE1 GLU A 66 -3.673 11.763 -16.707 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.961 9.631 -16.311 1.00 0.00 O ATOM 0 H GLU A 66 -1.719 12.367 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.939 10.523 -12.679 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.178 12.043 -15.303 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.915 10.316 -15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.095 10.067 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.357 11.796 -14.079 1.00 0.00 H new ATOM 1003 N LYS A 67 1.479 12.156 -12.469 1.00 0.00 N ATOM 1004 CA LYS A 67 2.937 12.315 -12.417 1.00 0.00 C ATOM 1005 C LYS A 67 3.608 11.033 -11.886 1.00 0.00 C ATOM 1006 O LYS A 67 3.213 10.508 -10.832 1.00 0.00 O ATOM 1007 CB LYS A 67 3.312 13.520 -11.515 1.00 0.00 C ATOM 1008 CG LYS A 67 4.829 13.836 -11.478 1.00 0.00 C ATOM 1009 CD LYS A 67 5.199 14.899 -10.427 1.00 0.00 C ATOM 1010 CE LYS A 67 6.693 15.263 -10.453 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.080 15.965 -11.709 1.00 0.00 N ATOM 0 H LYS A 67 0.986 12.680 -11.746 1.00 0.00 H new ATOM 0 HA LYS A 67 3.297 12.501 -13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.777 14.402 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.969 13.321 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.380 12.919 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.146 14.181 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.607 15.798 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.936 14.531 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.925 15.898 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.288 14.356 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.083 16.236 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.931 15.332 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.496 16.818 -11.824 1.00 0.00 H new ATOM 1025 N ILE A 68 4.618 10.551 -12.628 1.00 0.00 N ATOM 1026 CA ILE A 68 5.485 9.443 -12.206 1.00 0.00 C ATOM 1027 C ILE A 68 6.625 10.010 -11.350 1.00 0.00 C ATOM 1028 O ILE A 68 7.360 10.907 -11.786 1.00 0.00 O ATOM 1029 CB ILE A 68 6.063 8.654 -13.447 1.00 0.00 C ATOM 1030 CG1 ILE A 68 4.925 7.872 -14.179 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.220 7.693 -13.043 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.418 6.653 -13.425 1.00 0.00 C ATOM 0 H ILE A 68 4.857 10.924 -13.547 1.00 0.00 H new ATOM 0 HA ILE A 68 4.897 8.735 -11.622 1.00 0.00 H new ATOM 0 HB ILE A 68 6.481 9.390 -14.134 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.089 8.550 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.289 7.555 -15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.586 7.172 -13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.032 8.268 -12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.853 6.965 -12.320 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.630 6.169 -14.003 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.239 5.952 -13.273 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.021 6.962 -12.458 1.00 0.00 H new ATOM 1044 N GLN A 69 6.744 9.482 -10.136 1.00 0.00 N ATOM 1045 CA GLN A 69 7.758 9.887 -9.160 1.00 0.00 C ATOM 1046 C GLN A 69 8.037 8.720 -8.212 1.00 0.00 C ATOM 1047 O GLN A 69 7.331 7.717 -8.247 1.00 0.00 O ATOM 1048 CB GLN A 69 7.291 11.138 -8.372 1.00 0.00 C ATOM 1049 CG GLN A 69 5.962 10.974 -7.594 1.00 0.00 C ATOM 1050 CD GLN A 69 5.565 12.217 -6.780 1.00 0.00 C ATOM 1051 OE1 GLN A 69 4.947 12.120 -5.722 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.887 13.399 -7.278 1.00 0.00 N ATOM 0 H GLN A 69 6.127 8.745 -9.793 1.00 0.00 H new ATOM 0 HA GLN A 69 8.677 10.151 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 69 8.074 11.415 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.183 11.968 -9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.164 10.743 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.048 10.122 -6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.400 13.459 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.622 14.250 -6.783 1.00 0.00 H new ATOM 1061 N HIS A 70 9.071 8.851 -7.378 1.00 0.00 N ATOM 1062 CA HIS A 70 9.422 7.830 -6.372 1.00 0.00 C ATOM 1063 C HIS A 70 8.450 7.891 -5.181 1.00 0.00 C ATOM 1064 O HIS A 70 7.709 8.873 -5.025 1.00 0.00 O ATOM 1065 CB HIS A 70 10.895 8.004 -5.923 1.00 0.00 C ATOM 1066 CG HIS A 70 11.900 7.697 -7.017 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.885 6.736 -6.898 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.057 8.228 -8.259 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.583 6.683 -8.018 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.103 7.578 -8.853 1.00 0.00 N ATOM 0 H HIS A 70 9.690 9.662 -7.376 1.00 0.00 H new ATOM 0 HA HIS A 70 9.327 6.841 -6.820 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.044 9.028 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.087 7.352 -5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.464 9.018 -8.696 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.409 6.016 -8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.455 7.759 -9.793 1.00 0.00 H new ATOM 1079 N ALA A 71 8.455 6.821 -4.362 1.00 0.00 N ATOM 1080 CA ALA A 71 7.539 6.666 -3.217 1.00 0.00 C ATOM 1081 C ALA A 71 7.647 7.856 -2.233 1.00 0.00 C ATOM 1082 O ALA A 71 8.744 8.187 -1.777 1.00 0.00 O ATOM 1083 CB ALA A 71 7.805 5.327 -2.516 1.00 0.00 C ATOM 0 H ALA A 71 9.098 6.037 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 71 6.515 6.664 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.126 5.218 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.644 4.510 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.835 5.301 -2.159 1.00 0.00 H new ATOM 1089 N GLN A 72 6.495 8.492 -1.952 1.00 0.00 N ATOM 1090 CA GLN A 72 6.408 9.742 -1.166 1.00 0.00 C ATOM 1091 C GLN A 72 4.966 9.893 -0.633 1.00 0.00 C ATOM 1092 O GLN A 72 4.048 9.298 -1.193 1.00 0.00 O ATOM 1093 CB GLN A 72 6.823 10.943 -2.074 1.00 0.00 C ATOM 1094 CG GLN A 72 7.043 12.286 -1.352 1.00 0.00 C ATOM 1095 CD GLN A 72 7.813 13.300 -2.213 1.00 0.00 C ATOM 1096 OE1 GLN A 72 9.042 13.370 -2.159 1.00 0.00 O ATOM 1097 NE2 GLN A 72 7.110 14.060 -3.031 1.00 0.00 N ATOM 0 H GLN A 72 5.587 8.151 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 72 7.085 9.718 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.742 10.678 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.054 11.082 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.077 12.709 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.591 12.111 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.093 13.980 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.583 14.727 -3.640 1.00 0.00 H new ATOM 1106 N GLN A 73 4.767 10.659 0.461 1.00 0.00 N ATOM 1107 CA GLN A 73 3.428 10.817 1.079 1.00 0.00 C ATOM 1108 C GLN A 73 2.580 11.871 0.339 1.00 0.00 C ATOM 1109 O GLN A 73 1.350 11.755 0.280 1.00 0.00 O ATOM 1110 CB GLN A 73 3.532 11.192 2.588 1.00 0.00 C ATOM 1111 CG GLN A 73 2.189 11.049 3.360 1.00 0.00 C ATOM 1112 CD GLN A 73 2.195 11.621 4.782 1.00 0.00 C ATOM 1113 OE1 GLN A 73 1.015 11.918 5.310 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 3.238 11.723 5.427 1.00 0.00 N flip ATOM 0 H GLN A 73 5.509 11.175 0.933 1.00 0.00 H new ATOM 0 HA GLN A 73 2.932 9.850 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.282 10.558 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.883 12.220 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.404 11.545 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.927 9.992 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.131 11.487 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.210 12.043 6.395 1.00 0.00 H new ATOM 1123 N THR A 74 3.233 12.913 -0.215 1.00 0.00 N ATOM 1124 CA THR A 74 2.519 14.044 -0.852 1.00 0.00 C ATOM 1125 C THR A 74 3.251 14.502 -2.131 1.00 0.00 C ATOM 1126 O THR A 74 4.472 14.605 -2.151 1.00 0.00 O ATOM 1127 CB THR A 74 2.355 15.267 0.131 1.00 0.00 C ATOM 1128 OG1 THR A 74 2.072 14.800 1.467 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.214 16.212 -0.304 1.00 0.00 C ATOM 0 H THR A 74 4.249 12.997 -0.235 1.00 0.00 H new ATOM 0 HA THR A 74 1.524 13.684 -1.114 1.00 0.00 H new ATOM 0 HB THR A 74 3.295 15.818 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.974 15.568 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.138 17.039 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.425 16.603 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.273 15.662 -0.322 1.00 0.00 H new ATOM 1137 N CYS A 75 2.462 14.771 -3.178 1.00 0.00 N ATOM 1138 CA CYS A 75 2.928 15.296 -4.476 1.00 0.00 C ATOM 1139 C CYS A 75 3.244 16.787 -4.357 1.00 0.00 C ATOM 1140 O CYS A 75 2.338 17.586 -4.213 1.00 0.00 O ATOM 1141 CB CYS A 75 1.800 15.082 -5.505 1.00 0.00 C ATOM 1142 SG CYS A 75 2.033 15.770 -7.178 1.00 0.00 S ATOM 0 H CYS A 75 1.453 14.627 -3.149 1.00 0.00 H new ATOM 0 HA CYS A 75 3.834 14.778 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.636 14.009 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.885 15.507 -5.092 1.00 0.00 H new ATOM 0 HG CYS A 75 0.932 16.338 -7.571 1.00 0.00 H new ATOM 1147 N GLU A 76 4.530 17.129 -4.410 1.00 0.00 N ATOM 1148 CA GLU A 76 5.030 18.525 -4.471 1.00 0.00 C ATOM 1149 C GLU A 76 4.430 19.312 -5.672 1.00 0.00 C ATOM 1150 O GLU A 76 4.328 20.542 -5.636 1.00 0.00 O ATOM 1151 CB GLU A 76 6.589 18.506 -4.565 1.00 0.00 C ATOM 1152 CG GLU A 76 7.176 17.946 -5.891 1.00 0.00 C ATOM 1153 CD GLU A 76 6.789 16.488 -6.211 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.314 15.568 -5.558 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.908 16.263 -7.084 1.00 0.00 O ATOM 0 H GLU A 76 5.280 16.437 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 76 4.714 19.038 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.956 19.523 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.978 17.912 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.848 18.582 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.263 18.016 -5.848 1.00 0.00 H new ATOM 1162 N GLU A 77 4.039 18.564 -6.720 1.00 0.00 N ATOM 1163 CA GLU A 77 3.558 19.107 -8.003 1.00 0.00 C ATOM 1164 C GLU A 77 2.126 19.695 -7.910 1.00 0.00 C ATOM 1165 O GLU A 77 1.783 20.596 -8.685 1.00 0.00 O ATOM 1166 CB GLU A 77 3.613 17.981 -9.076 1.00 0.00 C ATOM 1167 CG GLU A 77 3.439 18.437 -10.543 1.00 0.00 C ATOM 1168 CD GLU A 77 4.659 19.195 -11.100 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.765 20.426 -10.900 1.00 0.00 O ATOM 1170 OE2 GLU A 77 5.530 18.552 -11.729 1.00 0.00 O ATOM 0 H GLU A 77 4.049 17.544 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 77 4.210 19.934 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.570 17.467 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.837 17.251 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.248 17.563 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.560 19.077 -10.614 1.00 0.00 H new ATOM 1177 N CYS A 78 1.286 19.188 -6.975 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.131 19.641 -6.878 1.00 0.00 C ATOM 1179 C CYS A 78 -0.761 19.350 -5.493 1.00 0.00 C ATOM 1180 O CYS A 78 -1.986 19.404 -5.354 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.993 18.993 -8.002 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.436 17.248 -7.723 1.00 0.00 S ATOM 0 H CYS A 78 1.553 18.481 -6.290 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.120 20.723 -7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.910 19.571 -8.115 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.450 19.068 -8.944 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.905 16.738 -8.823 1.00 0.00 H new ATOM 1187 N SER A 79 0.086 19.053 -4.481 1.00 0.00 N ATOM 1188 CA SER A 79 -0.325 18.842 -3.069 1.00 0.00 C ATOM 1189 C SER A 79 -1.298 17.650 -2.882 1.00 0.00 C ATOM 1190 O SER A 79 -2.103 17.638 -1.943 1.00 0.00 O ATOM 1191 CB SER A 79 -0.884 20.161 -2.469 1.00 0.00 C ATOM 1192 OG SER A 79 0.090 21.195 -2.527 1.00 0.00 O ATOM 0 H SER A 79 1.091 18.951 -4.622 1.00 0.00 H new ATOM 0 HA SER A 79 0.569 18.563 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.777 20.465 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.185 19.996 -1.434 1.00 0.00 H new ATOM 0 HG SER A 79 -0.283 22.017 -2.146 1.00 0.00 H new ATOM 1198 N THR A 80 -1.167 16.614 -3.741 1.00 0.00 N ATOM 1199 CA THR A 80 -1.978 15.390 -3.628 1.00 0.00 C ATOM 1200 C THR A 80 -1.474 14.554 -2.452 1.00 0.00 C ATOM 1201 O THR A 80 -0.360 14.020 -2.507 1.00 0.00 O ATOM 1202 CB THR A 80 -1.929 14.533 -4.939 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.385 15.315 -6.042 1.00 0.00 O ATOM 1204 CG2 THR A 80 -2.780 13.249 -4.846 1.00 0.00 C ATOM 0 H THR A 80 -0.507 16.605 -4.518 1.00 0.00 H new ATOM 0 HA THR A 80 -3.014 15.688 -3.465 1.00 0.00 H new ATOM 0 HB THR A 80 -0.891 14.231 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.639 15.839 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.708 12.696 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.413 12.628 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.821 13.515 -4.661 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.268 14.489 -1.375 1.00 0.00 N ATOM 1213 CA LEU A 81 -1.990 13.593 -0.254 1.00 0.00 C ATOM 1214 C LEU A 81 -2.342 12.158 -0.681 1.00 0.00 C ATOM 1215 O LEU A 81 -3.523 11.819 -0.844 1.00 0.00 O ATOM 1216 CB LEU A 81 -2.776 14.011 1.017 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.431 13.209 2.318 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -0.945 13.379 2.718 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.366 13.597 3.481 1.00 0.00 C ATOM 0 H LEU A 81 -3.111 15.051 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.932 13.651 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.593 15.069 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.842 13.902 0.816 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.592 12.154 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.745 12.808 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.307 13.016 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.735 14.433 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.100 13.023 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.261 14.661 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.398 13.382 3.205 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.292 11.356 -0.906 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.398 9.964 -1.380 1.00 0.00 C ATOM 1233 C PHE A 82 -2.146 9.079 -0.375 1.00 0.00 C ATOM 1234 O PHE A 82 -2.757 8.081 -0.761 1.00 0.00 O ATOM 1235 CB PHE A 82 0.020 9.397 -1.674 1.00 0.00 C ATOM 1236 CG PHE A 82 0.750 10.020 -2.876 1.00 0.00 C ATOM 1237 CD1 PHE A 82 0.229 11.110 -3.575 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.960 9.488 -3.318 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.889 11.639 -4.657 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.620 10.024 -4.403 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.083 11.099 -5.071 1.00 0.00 C ATOM 0 H PHE A 82 -0.329 11.659 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.979 9.961 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.637 9.534 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.065 8.323 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.708 11.544 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.388 8.641 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.468 12.482 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.558 9.600 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.600 11.519 -5.921 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.075 9.459 0.904 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.836 8.807 1.956 1.00 0.00 C ATOM 1253 C GLY A 83 -2.606 9.451 3.306 1.00 0.00 C ATOM 1254 O GLY A 83 -1.545 10.053 3.536 1.00 0.00 O ATOM 0 H GLY A 83 -1.488 10.226 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.898 8.846 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.558 7.754 2.005 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.610 9.341 4.198 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.492 9.801 5.595 1.00 0.00 C ATOM 1260 C GLU A 84 -2.428 8.945 6.304 1.00 0.00 C ATOM 1261 O GLU A 84 -1.532 9.456 6.987 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.854 9.669 6.334 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.082 10.214 5.571 1.00 0.00 C ATOM 1264 CD GLU A 84 -5.996 11.691 5.165 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -5.704 12.548 6.031 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.239 12.002 3.976 1.00 0.00 O ATOM 0 H GLU A 84 -4.518 8.934 3.973 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.201 10.851 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.025 8.616 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.781 10.190 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.227 9.615 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.967 10.075 6.192 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.559 7.622 6.105 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.587 6.634 6.560 1.00 0.00 C ATOM 1275 C TYR A 85 -0.553 6.418 5.436 1.00 0.00 C ATOM 1276 O TYR A 85 -0.918 6.275 4.258 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.296 5.296 6.919 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.423 4.356 7.764 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.506 3.477 7.176 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.497 4.382 9.157 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.299 2.671 7.949 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.696 3.572 9.927 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.197 2.723 9.321 1.00 0.00 C ATOM 1284 OH TYR A 85 0.999 1.930 10.089 1.00 0.00 O ATOM 0 H TYR A 85 -3.355 7.212 5.617 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.086 6.992 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.215 5.514 7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.583 4.786 5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.429 3.430 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.196 5.050 9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.006 2.002 7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.769 3.603 11.004 1.00 0.00 H new ATOM 0 HH TYR A 85 1.175 2.374 10.945 1.00 0.00 H new ATOM 1294 N TYR A 86 0.728 6.402 5.809 1.00 0.00 N ATOM 1295 CA TYR A 86 1.842 6.175 4.875 1.00 0.00 C ATOM 1296 C TYR A 86 2.787 5.110 5.447 1.00 0.00 C ATOM 1297 O TYR A 86 2.928 4.992 6.678 1.00 0.00 O ATOM 1298 CB TYR A 86 2.605 7.503 4.609 1.00 0.00 C ATOM 1299 CG TYR A 86 3.304 8.115 5.844 1.00 0.00 C ATOM 1300 CD1 TYR A 86 2.571 8.738 6.866 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.695 8.059 5.998 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.199 9.276 7.974 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.320 8.595 7.106 1.00 0.00 C ATOM 1304 CZ TYR A 86 4.570 9.199 8.089 1.00 0.00 C ATOM 1305 OH TYR A 86 5.198 9.735 9.192 1.00 0.00 O ATOM 0 H TYR A 86 1.028 6.547 6.773 1.00 0.00 H new ATOM 0 HA TYR A 86 1.445 5.818 3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.354 7.325 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.902 8.234 4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.496 8.798 6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.292 7.586 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.617 9.755 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.394 8.540 7.201 1.00 0.00 H new ATOM 0 HH TYR A 86 6.165 9.595 9.118 1.00 0.00 H new ATOM 1315 N CYS A 87 3.420 4.337 4.549 1.00 0.00 N ATOM 1316 CA CYS A 87 4.412 3.318 4.919 1.00 0.00 C ATOM 1317 C CYS A 87 5.162 2.862 3.655 1.00 0.00 C ATOM 1318 O CYS A 87 4.572 2.228 2.770 1.00 0.00 O ATOM 1319 CB CYS A 87 3.712 2.127 5.605 1.00 0.00 C ATOM 1320 SG CYS A 87 4.815 0.903 6.375 1.00 0.00 S ATOM 0 H CYS A 87 3.257 4.403 3.544 1.00 0.00 H new ATOM 0 HA CYS A 87 5.131 3.738 5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.040 2.516 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.093 1.618 4.866 1.00 0.00 H new ATOM 0 HG CYS A 87 4.543 -0.280 5.909 1.00 0.00 H new ATOM 1325 N ASP A 88 6.469 3.170 3.600 1.00 0.00 N ATOM 1326 CA ASP A 88 7.324 2.930 2.419 1.00 0.00 C ATOM 1327 C ASP A 88 7.834 1.479 2.370 1.00 0.00 C ATOM 1328 O ASP A 88 8.008 0.945 1.289 1.00 0.00 O ATOM 1329 CB ASP A 88 8.499 3.945 2.409 1.00 0.00 C ATOM 1330 CG ASP A 88 9.558 3.680 1.316 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.246 3.829 0.116 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.713 3.332 1.658 1.00 0.00 O ATOM 0 H ASP A 88 6.969 3.597 4.380 1.00 0.00 H new ATOM 0 HA ASP A 88 6.723 3.080 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.096 4.948 2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.987 3.928 3.383 1.00 0.00 H new ATOM 1337 N ILE A 89 8.034 0.841 3.538 1.00 0.00 N ATOM 1338 CA ILE A 89 8.479 -0.577 3.616 1.00 0.00 C ATOM 1339 C ILE A 89 7.457 -1.503 2.908 1.00 0.00 C ATOM 1340 O ILE A 89 7.825 -2.390 2.132 1.00 0.00 O ATOM 1341 CB ILE A 89 8.680 -1.024 5.115 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.809 -0.176 5.785 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.984 -2.542 5.226 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.024 -0.436 7.268 1.00 0.00 C ATOM 0 H ILE A 89 7.896 1.281 4.448 1.00 0.00 H new ATOM 0 HA ILE A 89 9.439 -0.660 3.106 1.00 0.00 H new ATOM 0 HB ILE A 89 7.746 -0.844 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.745 -0.368 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.577 0.880 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.116 -2.811 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.154 -3.111 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.896 -2.772 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.828 0.201 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.106 -0.214 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.292 -1.482 7.419 1.00 0.00 H new ATOM 1356 N CYS A 90 6.166 -1.233 3.161 1.00 0.00 N ATOM 1357 CA CYS A 90 5.051 -1.984 2.558 1.00 0.00 C ATOM 1358 C CYS A 90 4.625 -1.346 1.223 1.00 0.00 C ATOM 1359 O CYS A 90 3.799 -1.921 0.509 1.00 0.00 O ATOM 1360 CB CYS A 90 3.855 -2.002 3.524 1.00 0.00 C ATOM 1361 SG CYS A 90 4.232 -2.613 5.188 1.00 0.00 S ATOM 0 H CYS A 90 5.865 -0.488 3.789 1.00 0.00 H new ATOM 0 HA CYS A 90 5.384 -3.004 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.456 -0.991 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.068 -2.622 3.094 1.00 0.00 H new ATOM 0 HG CYS A 90 4.669 -3.835 5.113 1.00 0.00 H new ATOM 1366 N HIS A 91 5.171 -0.139 0.929 1.00 0.00 N ATOM 1367 CA HIS A 91 4.811 0.673 -0.250 1.00 0.00 C ATOM 1368 C HIS A 91 3.285 0.780 -0.405 1.00 0.00 C ATOM 1369 O HIS A 91 2.709 0.404 -1.429 1.00 0.00 O ATOM 1370 CB HIS A 91 5.498 0.131 -1.531 1.00 0.00 C ATOM 1371 CG HIS A 91 6.969 0.443 -1.613 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.959 -0.434 -1.219 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.602 1.568 -2.018 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.138 0.146 -1.361 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.951 1.366 -1.848 1.00 0.00 N ATOM 0 H HIS A 91 5.882 0.299 1.515 1.00 0.00 H new ATOM 0 HA HIS A 91 5.184 1.685 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.363 -0.950 -1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.998 0.550 -2.404 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.805 -1.381 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.133 2.461 -2.404 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.093 -0.298 -1.121 1.00 0.00 H new ATOM 1384 N LEU A 92 2.639 1.226 0.675 1.00 0.00 N ATOM 1385 CA LEU A 92 1.204 1.489 0.693 1.00 0.00 C ATOM 1386 C LEU A 92 0.996 2.874 1.295 1.00 0.00 C ATOM 1387 O LEU A 92 1.537 3.186 2.370 1.00 0.00 O ATOM 1388 CB LEU A 92 0.421 0.356 1.445 1.00 0.00 C ATOM 1389 CG LEU A 92 0.648 0.148 2.994 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.198 1.107 3.881 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.369 -1.319 3.383 1.00 0.00 C ATOM 0 H LEU A 92 3.102 1.415 1.564 1.00 0.00 H new ATOM 0 HA LEU A 92 0.796 1.482 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.643 0.538 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.657 -0.587 0.951 1.00 0.00 H new ATOM 0 HG LEU A 92 1.693 0.392 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.009 0.907 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.061 2.140 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.258 0.946 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.529 -1.448 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.663 -1.571 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.043 -1.976 2.833 1.00 0.00 H new ATOM 1403 N PHE A 93 0.312 3.733 0.542 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.100 5.058 1.004 1.00 0.00 C ATOM 1405 C PHE A 93 -1.594 5.135 0.746 1.00 0.00 C ATOM 1406 O PHE A 93 -1.987 5.206 -0.403 1.00 0.00 O ATOM 1407 CB PHE A 93 0.639 6.179 0.203 1.00 0.00 C ATOM 1408 CG PHE A 93 2.157 5.987 0.057 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.958 5.656 1.153 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.778 6.139 -1.185 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.320 5.483 1.011 1.00 0.00 C ATOM 1412 CE2 PHE A 93 4.140 5.965 -1.324 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.910 5.635 -0.226 1.00 0.00 C ATOM 0 H PHE A 93 0.025 3.527 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 93 0.142 5.204 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.200 6.242 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.455 7.135 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.505 5.534 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.184 6.396 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.924 5.228 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.604 6.087 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.975 5.496 -0.336 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.402 5.108 1.796 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.874 5.140 1.695 1.00 0.00 C ATOM 1425 C ASP A 94 -4.431 5.782 2.952 1.00 0.00 C ATOM 1426 O ASP A 94 -3.699 5.973 3.927 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.481 3.718 1.454 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.078 2.669 2.501 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -3.007 2.041 2.333 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -4.830 2.452 3.472 1.00 0.00 O ATOM 0 H ASP A 94 -2.062 5.063 2.756 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.158 5.734 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.568 3.798 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.173 3.367 0.469 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.712 6.159 2.916 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.358 6.827 4.053 1.00 0.00 C ATOM 1437 C LYS A 95 -6.379 5.895 5.275 1.00 0.00 C ATOM 1438 O LYS A 95 -6.412 4.668 5.123 1.00 0.00 O ATOM 1439 CB LYS A 95 -7.788 7.283 3.689 1.00 0.00 C ATOM 1440 CG LYS A 95 -7.875 8.193 2.443 1.00 0.00 C ATOM 1441 CD LYS A 95 -9.302 8.736 2.202 1.00 0.00 C ATOM 1442 CE LYS A 95 -9.727 9.774 3.259 1.00 0.00 C ATOM 1443 NZ LYS A 95 -8.893 11.011 3.203 1.00 0.00 N ATOM 0 H LYS A 95 -6.324 6.014 2.113 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.778 7.716 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.405 6.400 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.214 7.813 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.187 9.030 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.550 7.634 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.352 9.190 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.009 7.906 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.774 10.037 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.650 9.331 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.352 11.764 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.953 10.814 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.793 11.318 2.214 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.344 6.473 6.479 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.295 5.678 7.702 1.00 0.00 C ATOM 1459 C ASP A 96 -7.711 5.264 8.089 1.00 0.00 C ATOM 1460 O ASP A 96 -8.540 6.102 8.471 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.627 6.447 8.869 1.00 0.00 C ATOM 1462 CG ASP A 96 -5.606 5.604 10.158 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -4.826 4.634 10.220 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.410 5.874 11.092 1.00 0.00 O ATOM 0 H ASP A 96 -6.349 7.482 6.629 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.686 4.795 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.608 6.717 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.166 7.377 9.049 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.987 3.967 7.969 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.197 3.356 8.512 1.00 0.00 C ATOM 1471 C LYS A 97 -8.763 2.474 9.690 1.00 0.00 C ATOM 1472 O LYS A 97 -8.939 1.241 9.683 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.981 2.559 7.427 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.422 3.362 6.169 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.318 3.467 5.088 1.00 0.00 C ATOM 1476 CE LYS A 97 -9.816 4.093 3.779 1.00 0.00 C ATOM 1477 NZ LYS A 97 -10.909 3.301 3.165 1.00 0.00 N ATOM 0 H LYS A 97 -7.374 3.308 7.490 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.893 4.121 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.361 1.724 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.871 2.133 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.302 2.888 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.719 4.366 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.492 4.062 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.924 2.472 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.167 5.107 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.987 4.172 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.889 3.424 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.781 2.295 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.824 3.627 3.535 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.106 3.155 10.669 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.618 2.566 11.933 1.00 0.00 C ATOM 1493 C LYS A 98 -6.456 1.584 11.708 1.00 0.00 C ATOM 1494 O LYS A 98 -6.151 0.755 12.577 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.796 1.950 12.727 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.932 2.943 13.140 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.553 3.959 14.269 1.00 0.00 C ATOM 1498 CE LYS A 98 -8.633 5.122 13.819 1.00 0.00 C ATOM 1499 NZ LYS A 98 -9.124 5.808 12.594 1.00 0.00 N ATOM 0 H LYS A 98 -7.900 4.151 10.593 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.198 3.364 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.236 1.153 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.398 1.487 13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.241 3.504 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.796 2.365 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.470 4.379 14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.060 3.416 15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.552 5.848 14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.630 4.735 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.012 6.836 12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.575 5.486 11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.129 5.583 12.449 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.760 1.784 10.576 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.640 0.947 10.126 1.00 0.00 C ATOM 1515 C GLN A 99 -3.413 1.139 11.047 1.00 0.00 C ATOM 1516 O GLN A 99 -3.172 2.242 11.561 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.306 1.315 8.650 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.104 0.566 8.030 1.00 0.00 C ATOM 1519 CD GLN A 99 -2.964 0.719 6.507 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.498 -0.199 5.830 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -3.319 1.878 5.958 1.00 0.00 N ATOM 0 H GLN A 99 -5.967 2.550 9.935 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.918 -0.106 10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.187 1.121 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.110 2.386 8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.189 0.923 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.193 -0.494 8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.702 2.622 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.208 2.022 4.954 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.655 0.048 11.267 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.455 0.057 12.123 1.00 0.00 C ATOM 1532 C TYR A 100 -0.392 -0.904 11.549 1.00 0.00 C ATOM 1533 O TYR A 100 -0.719 -2.032 11.137 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.825 -0.328 13.588 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.247 -1.799 13.813 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.495 -2.283 13.389 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.389 -2.710 14.443 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.856 -3.606 13.587 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.755 -4.027 14.634 1.00 0.00 C ATOM 1540 CZ TYR A 100 -2.985 -4.468 14.209 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.330 -5.789 14.399 1.00 0.00 O ATOM 0 H TYR A 100 -2.858 -0.863 10.856 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.038 1.064 12.138 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.968 -0.114 14.227 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.638 0.318 13.919 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.186 -1.612 12.900 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.421 -2.375 14.786 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.820 -3.959 13.253 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.074 -4.711 15.118 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.527 -6.309 14.611 1.00 0.00 H new ATOM 1551 N HIS A 101 0.869 -0.440 11.478 1.00 0.00 N ATOM 1552 CA HIS A 101 2.006 -1.279 11.074 1.00 0.00 C ATOM 1553 C HIS A 101 2.497 -2.082 12.274 1.00 0.00 C ATOM 1554 O HIS A 101 3.188 -1.558 13.153 1.00 0.00 O ATOM 1555 CB HIS A 101 3.153 -0.447 10.411 1.00 0.00 C ATOM 1556 CG HIS A 101 4.336 -1.285 9.956 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.405 -1.876 8.687 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.421 -1.676 10.684 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.511 -2.609 8.736 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.147 -2.513 9.903 1.00 0.00 N ATOM 0 H HIS A 101 1.125 0.522 11.698 1.00 0.00 H new ATOM 0 HA HIS A 101 1.667 -1.973 10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.750 0.091 9.553 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.503 0.302 11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.658 -1.375 11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.859 -3.219 7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.016 -2.981 10.160 1.00 0.00 H new ATOM 1568 N CYS A 102 2.075 -3.346 12.313 1.00 0.00 N ATOM 1569 CA CYS A 102 2.617 -4.331 13.234 1.00 0.00 C ATOM 1570 C CYS A 102 3.996 -4.762 12.721 1.00 0.00 C ATOM 1571 O CYS A 102 4.085 -5.407 11.667 1.00 0.00 O ATOM 1572 CB CYS A 102 1.687 -5.547 13.321 1.00 0.00 C ATOM 1573 SG CYS A 102 2.234 -6.806 14.506 1.00 0.00 S ATOM 0 H CYS A 102 1.345 -3.712 11.702 1.00 0.00 H new ATOM 0 HA CYS A 102 2.704 -3.898 14.230 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.689 -5.210 13.599 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.606 -6.002 12.334 1.00 0.00 H new ATOM 0 HG CYS A 102 1.961 -7.988 14.040 1.00 0.00 H new ATOM 1578 N GLU A 103 5.054 -4.365 13.449 1.00 0.00 N ATOM 1579 CA GLU A 103 6.458 -4.674 13.101 1.00 0.00 C ATOM 1580 C GLU A 103 6.701 -6.189 13.038 1.00 0.00 C ATOM 1581 O GLU A 103 7.431 -6.682 12.176 1.00 0.00 O ATOM 1582 CB GLU A 103 7.411 -4.031 14.139 1.00 0.00 C ATOM 1583 CG GLU A 103 7.294 -2.500 14.251 1.00 0.00 C ATOM 1584 CD GLU A 103 8.228 -1.913 15.319 1.00 0.00 C ATOM 1585 OE1 GLU A 103 9.440 -1.785 15.052 1.00 0.00 O ATOM 1586 OE2 GLU A 103 7.762 -1.589 16.432 1.00 0.00 O ATOM 0 H GLU A 103 4.961 -3.816 14.303 1.00 0.00 H new ATOM 0 HA GLU A 103 6.659 -4.260 12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.213 -4.470 15.117 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.438 -4.286 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.524 -2.050 13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.264 -2.234 14.489 1.00 0.00 H new ATOM 1593 N ASN A 104 6.041 -6.906 13.958 1.00 0.00 N ATOM 1594 CA ASN A 104 6.194 -8.355 14.127 1.00 0.00 C ATOM 1595 C ASN A 104 5.572 -9.122 12.937 1.00 0.00 C ATOM 1596 O ASN A 104 6.209 -10.017 12.378 1.00 0.00 O ATOM 1597 CB ASN A 104 5.568 -8.791 15.474 1.00 0.00 C ATOM 1598 CG ASN A 104 6.328 -8.319 16.735 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.987 -7.161 16.697 1.00 0.00 O flip ATOM 1600 ND2 ASN A 104 6.303 -8.995 17.758 1.00 0.00 N flip ATOM 0 H ASN A 104 5.379 -6.490 14.613 1.00 0.00 H new ATOM 0 HA ASN A 104 7.256 -8.600 14.144 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.547 -8.413 15.521 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.506 -9.879 15.492 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.795 -9.879 17.773 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.791 -8.673 18.594 1.00 0.00 H new ATOM 1607 N CYS A 105 4.327 -8.752 12.544 1.00 0.00 N ATOM 1608 CA CYS A 105 3.679 -9.310 11.324 1.00 0.00 C ATOM 1609 C CYS A 105 4.379 -8.779 10.048 1.00 0.00 C ATOM 1610 O CYS A 105 4.285 -9.384 8.978 1.00 0.00 O ATOM 1611 CB CYS A 105 2.158 -8.994 11.281 1.00 0.00 C ATOM 1612 SG CYS A 105 1.153 -9.854 12.539 1.00 0.00 S ATOM 0 H CYS A 105 3.754 -8.075 13.048 1.00 0.00 H new ATOM 0 HA CYS A 105 3.787 -10.394 11.362 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.022 -7.919 11.402 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.776 -9.254 10.294 1.00 0.00 H new ATOM 0 HG CYS A 105 1.793 -10.903 12.962 1.00 0.00 H new ATOM 1617 N GLY A 106 5.054 -7.621 10.189 1.00 0.00 N ATOM 1618 CA GLY A 106 5.883 -7.037 9.123 1.00 0.00 C ATOM 1619 C GLY A 106 5.076 -6.270 8.083 1.00 0.00 C ATOM 1620 O GLY A 106 5.602 -5.907 7.022 1.00 0.00 O ATOM 0 H GLY A 106 5.038 -7.067 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.617 -6.367 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.438 -7.833 8.627 1.00 0.00 H new ATOM 1624 N ILE A 107 3.796 -6.001 8.398 1.00 0.00 N ATOM 1625 CA ILE A 107 2.842 -5.356 7.470 1.00 0.00 C ATOM 1626 C ILE A 107 1.940 -4.364 8.221 1.00 0.00 C ATOM 1627 O ILE A 107 1.931 -4.306 9.456 1.00 0.00 O ATOM 1628 CB ILE A 107 1.910 -6.416 6.739 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.158 -7.310 7.789 1.00 0.00 C ATOM 1630 CG2 ILE A 107 2.707 -7.278 5.729 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.129 -8.265 7.201 1.00 0.00 C ATOM 0 H ILE A 107 3.390 -6.225 9.307 1.00 0.00 H new ATOM 0 HA ILE A 107 3.443 -4.836 6.724 1.00 0.00 H new ATOM 0 HB ILE A 107 1.163 -5.865 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.895 -7.891 8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.659 -6.659 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.036 -7.991 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.152 -6.633 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.495 -7.818 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.336 -8.838 8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.635 -7.696 6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.620 -8.946 6.506 1.00 0.00 H new ATOM 1643 N CYS A 108 1.192 -3.584 7.432 1.00 0.00 N ATOM 1644 CA CYS A 108 0.034 -2.817 7.897 1.00 0.00 C ATOM 1645 C CYS A 108 -1.100 -3.027 6.907 1.00 0.00 C ATOM 1646 O CYS A 108 -0.878 -3.016 5.695 1.00 0.00 O ATOM 1647 CB CYS A 108 0.354 -1.317 8.040 1.00 0.00 C ATOM 1648 SG CYS A 108 1.400 -0.637 6.748 1.00 0.00 S ATOM 0 H CYS A 108 1.379 -3.467 6.436 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.251 -3.170 8.888 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.583 -0.761 8.058 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.839 -1.155 9.002 1.00 0.00 H new ATOM 0 HG CYS A 108 2.300 -1.513 6.412 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.294 -3.272 7.441 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.535 -3.408 6.656 1.00 0.00 C ATOM 1655 C ARG A 109 -4.662 -2.710 7.411 1.00 0.00 C ATOM 1656 O ARG A 109 -4.491 -2.328 8.585 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.907 -4.897 6.403 1.00 0.00 C ATOM 1658 CG ARG A 109 -2.876 -5.691 5.574 1.00 0.00 C ATOM 1659 CD ARG A 109 -3.329 -7.127 5.305 1.00 0.00 C ATOM 1660 NE ARG A 109 -2.264 -7.934 4.682 1.00 0.00 N ATOM 1661 CZ ARG A 109 -2.423 -9.171 4.189 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -3.613 -9.759 4.173 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -1.387 -9.810 3.679 1.00 0.00 N ATOM 0 H ARG A 109 -2.437 -3.385 8.445 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.381 -2.948 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.037 -5.393 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.869 -4.934 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.707 -5.182 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.923 -5.706 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.635 -7.592 6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.203 -7.116 4.654 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.334 -7.519 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.429 -9.269 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.712 -10.701 3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.470 -9.363 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.503 -10.751 3.303 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.815 -2.568 6.745 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.988 -1.912 7.333 1.00 0.00 C ATOM 1679 C ILE A 110 -7.547 -2.826 8.446 1.00 0.00 C ATOM 1680 O ILE A 110 -8.197 -3.846 8.174 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.079 -1.578 6.240 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.491 -0.625 5.132 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.363 -0.988 6.875 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.901 0.683 5.646 1.00 0.00 C ATOM 0 H ILE A 110 -5.960 -2.902 5.792 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.696 -0.954 7.764 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.363 -2.514 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.717 -1.164 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.282 -0.393 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.090 -0.771 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.787 -1.709 7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.117 -0.069 7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.524 1.267 4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.673 1.251 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.084 0.468 6.335 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.240 -2.450 9.690 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.488 -3.276 10.857 1.00 0.00 C ATOM 1698 C GLY A 111 -7.439 -2.422 12.087 1.00 0.00 C ATOM 1699 O GLY A 111 -6.364 -1.928 12.407 1.00 0.00 O ATOM 0 H GLY A 111 -6.808 -1.552 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.461 -3.759 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.743 -4.069 10.921 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.587 -2.178 12.787 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.590 -1.361 14.001 1.00 0.00 C ATOM 1705 C PRO A 112 -7.777 -2.036 15.118 1.00 0.00 C ATOM 1706 O PRO A 112 -8.046 -3.179 15.514 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.088 -1.191 14.334 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.750 -2.378 13.703 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.949 -2.680 12.454 1.00 0.00 C ATOM 0 HA PRO A 112 -8.109 -0.390 13.878 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.255 -1.169 15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.481 -0.257 13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.753 -3.231 14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.790 -2.162 13.458 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.940 -3.747 12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.361 -2.175 11.581 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.753 -1.307 15.577 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.762 -1.792 16.557 1.00 0.00 C ATOM 1719 C LYS A 113 -6.418 -2.131 17.916 1.00 0.00 C ATOM 1720 O LYS A 113 -5.866 -2.882 18.715 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.629 -0.736 16.719 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.085 0.628 17.307 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.086 1.777 17.036 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.010 2.133 15.545 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.091 3.268 15.278 1.00 0.00 N ATOM 0 H LYS A 113 -6.583 -0.347 15.276 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.329 -2.719 16.182 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.854 -1.152 17.363 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.173 -0.561 15.744 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.054 0.892 16.884 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.224 0.523 18.383 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.384 2.658 17.604 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.097 1.488 17.391 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.677 1.260 14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.007 2.384 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.075 3.469 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.421 4.110 15.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.133 3.021 15.597 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.578 -1.513 18.178 1.00 0.00 N ATOM 1740 CA GLU A 114 -8.415 -1.804 19.358 1.00 0.00 C ATOM 1741 C GLU A 114 -9.074 -3.209 19.259 1.00 0.00 C ATOM 1742 O GLU A 114 -9.199 -3.910 20.267 1.00 0.00 O ATOM 1743 CB GLU A 114 -9.476 -0.681 19.515 1.00 0.00 C ATOM 1744 CG GLU A 114 -10.360 -0.461 18.268 1.00 0.00 C ATOM 1745 CD GLU A 114 -11.188 0.831 18.319 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -12.205 0.874 19.043 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.815 1.822 17.645 1.00 0.00 O ATOM 0 H GLU A 114 -7.968 -0.790 17.573 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.785 -1.824 20.247 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.118 -0.920 20.363 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.967 0.253 19.754 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.725 -0.440 17.382 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.034 -1.310 18.157 1.00 0.00 H new ATOM 1754 N ASP A 115 -9.467 -3.620 18.033 1.00 0.00 N ATOM 1755 CA ASP A 115 -10.149 -4.921 17.787 1.00 0.00 C ATOM 1756 C ASP A 115 -9.147 -6.059 17.493 1.00 0.00 C ATOM 1757 O ASP A 115 -9.550 -7.225 17.414 1.00 0.00 O ATOM 1758 CB ASP A 115 -11.163 -4.798 16.613 1.00 0.00 C ATOM 1759 CG ASP A 115 -12.347 -3.863 16.930 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -12.259 -2.646 16.664 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -13.379 -4.341 17.446 1.00 0.00 O ATOM 0 H ASP A 115 -9.324 -3.067 17.188 1.00 0.00 H new ATOM 0 HA ASP A 115 -10.683 -5.174 18.703 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.643 -4.429 15.729 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.546 -5.788 16.367 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.856 -5.722 17.314 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.789 -6.713 17.021 1.00 0.00 C ATOM 1768 C PHE A 116 -5.590 -6.523 17.962 1.00 0.00 C ATOM 1769 O PHE A 116 -5.181 -5.399 18.235 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.314 -6.606 15.548 1.00 0.00 C ATOM 1771 CG PHE A 116 -7.374 -6.988 14.512 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -7.664 -8.329 14.258 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -8.076 -6.014 13.795 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -8.621 -8.683 13.324 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -9.032 -6.372 12.862 1.00 0.00 C ATOM 1776 CZ PHE A 116 -9.303 -7.705 12.625 1.00 0.00 C ATOM 0 H PHE A 116 -7.518 -4.761 17.367 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.214 -7.704 17.182 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.989 -5.583 15.357 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.443 -7.247 15.412 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -7.135 -9.100 14.797 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.869 -4.969 13.972 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -8.836 -9.725 13.141 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.567 -5.608 12.318 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.048 -7.983 11.894 1.00 0.00 H new ATOM 1786 N PHE A 117 -5.018 -7.640 18.425 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.820 -7.646 19.285 1.00 0.00 C ATOM 1788 C PHE A 117 -2.815 -8.678 18.751 1.00 0.00 C ATOM 1789 O PHE A 117 -3.214 -9.734 18.240 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.205 -7.949 20.764 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.849 -9.322 21.008 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -6.199 -9.544 20.727 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -4.101 -10.391 21.516 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.775 -10.780 20.943 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.682 -11.626 21.729 1.00 0.00 C ATOM 1796 CZ PHE A 117 -6.018 -11.819 21.443 1.00 0.00 C ATOM 0 H PHE A 117 -5.372 -8.573 18.215 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.356 -6.660 19.264 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.308 -7.873 21.378 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.893 -7.177 21.108 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.801 -8.737 20.335 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.055 -10.248 21.745 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.820 -10.934 20.720 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.090 -12.441 22.120 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.471 -12.785 21.611 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.513 -8.364 18.851 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.444 -9.301 18.466 1.00 0.00 C ATOM 1808 C HIS A 118 -0.105 -10.215 19.653 1.00 0.00 C ATOM 1809 O HIS A 118 -0.141 -9.779 20.809 1.00 0.00 O ATOM 1810 CB HIS A 118 0.829 -8.552 17.984 1.00 0.00 C ATOM 1811 CG HIS A 118 1.860 -9.474 17.381 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.718 -9.916 16.088 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.937 -10.075 17.950 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.695 -10.791 15.923 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.454 -10.915 17.014 1.00 0.00 N ATOM 0 H HIS A 118 -1.174 -7.466 19.196 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.806 -9.903 17.633 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.545 -7.801 17.247 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.272 -8.021 18.826 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.310 -9.917 18.951 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.860 -11.343 15.009 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.266 -11.523 17.124 1.00 0.00 H new ATOM 1823 N CYS A 119 0.230 -11.477 19.356 1.00 0.00 N ATOM 1824 CA CYS A 119 0.629 -12.469 20.369 1.00 0.00 C ATOM 1825 C CYS A 119 2.112 -12.817 20.222 1.00 0.00 C ATOM 1826 O CYS A 119 2.602 -12.964 19.098 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.231 -13.714 20.211 1.00 0.00 C ATOM 1828 SG CYS A 119 0.290 -15.173 21.148 1.00 0.00 S ATOM 0 H CYS A 119 0.233 -11.842 18.404 1.00 0.00 H new ATOM 0 HA CYS A 119 0.480 -12.051 21.365 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.251 -13.465 20.505 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.259 -13.978 19.154 1.00 0.00 H new ATOM 0 HG CYS A 119 1.158 -15.848 20.454 1.00 0.00 H new ATOM 1833 N LEU A 120 2.801 -12.961 21.369 1.00 0.00 N ATOM 1834 CA LEU A 120 4.259 -13.186 21.434 1.00 0.00 C ATOM 1835 C LEU A 120 4.674 -14.486 20.711 1.00 0.00 C ATOM 1836 O LEU A 120 5.717 -14.531 20.048 1.00 0.00 O ATOM 1837 CB LEU A 120 4.717 -13.198 22.917 1.00 0.00 C ATOM 1838 CG LEU A 120 4.373 -11.910 23.745 1.00 0.00 C ATOM 1839 CD1 LEU A 120 4.817 -12.046 25.220 1.00 0.00 C ATOM 1840 CD2 LEU A 120 4.975 -10.636 23.094 1.00 0.00 C ATOM 0 H LEU A 120 2.358 -12.924 22.287 1.00 0.00 H new ATOM 0 HA LEU A 120 4.756 -12.367 20.914 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.264 -14.057 23.411 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.796 -13.347 22.944 1.00 0.00 H new ATOM 0 HG LEU A 120 3.288 -11.803 23.737 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.562 -11.135 25.762 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.307 -12.894 25.677 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.895 -12.204 25.262 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.717 -9.764 23.694 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.059 -10.732 23.041 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.572 -10.516 22.088 1.00 0.00 H new ATOM 1852 N LYS A 121 3.849 -15.538 20.849 1.00 0.00 N ATOM 1853 CA LYS A 121 4.024 -16.802 20.103 1.00 0.00 C ATOM 1854 C LYS A 121 2.832 -16.976 19.144 1.00 0.00 C ATOM 1855 O LYS A 121 1.705 -16.723 19.540 1.00 0.00 O ATOM 1856 CB LYS A 121 4.143 -18.005 21.077 1.00 0.00 C ATOM 1857 CG LYS A 121 4.670 -19.302 20.417 1.00 0.00 C ATOM 1858 CD LYS A 121 6.111 -19.145 19.869 1.00 0.00 C ATOM 1859 CE LYS A 121 6.648 -20.423 19.203 1.00 0.00 C ATOM 1860 NZ LYS A 121 8.060 -20.264 18.759 1.00 0.00 N ATOM 0 H LYS A 121 3.045 -15.539 21.477 1.00 0.00 H new ATOM 0 HA LYS A 121 4.948 -16.765 19.526 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.808 -17.731 21.896 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.164 -18.204 21.513 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.648 -20.112 21.146 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.004 -19.588 19.603 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.131 -18.330 19.145 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.775 -18.862 20.686 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.579 -21.255 19.904 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.024 -20.676 18.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.386 -21.146 18.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.122 -19.487 18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.660 -20.048 19.580 1.00 0.00 H new ATOM 1874 N CYS A 122 3.106 -17.456 17.921 1.00 0.00 N ATOM 1875 CA CYS A 122 2.198 -17.403 16.747 1.00 0.00 C ATOM 1876 C CYS A 122 2.122 -15.942 16.253 1.00 0.00 C ATOM 1877 O CYS A 122 1.519 -15.076 16.907 1.00 0.00 O ATOM 1878 CB CYS A 122 0.767 -18.027 16.971 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.483 -16.993 17.836 1.00 0.00 S ATOM 0 H CYS A 122 3.995 -17.909 17.707 1.00 0.00 H new ATOM 0 HA CYS A 122 2.630 -18.047 15.981 1.00 0.00 H new ATOM 0 HB2 CYS A 122 0.362 -18.299 15.996 1.00 0.00 H new ATOM 0 HB3 CYS A 122 0.888 -18.952 17.535 1.00 0.00 H new ATOM 0 HG CYS A 122 -0.004 -16.598 18.978 1.00 0.00 H new ATOM 1884 N ASN A 123 2.751 -15.682 15.085 1.00 0.00 N ATOM 1885 CA ASN A 123 2.997 -14.316 14.552 1.00 0.00 C ATOM 1886 C ASN A 123 1.718 -13.671 13.938 1.00 0.00 C ATOM 1887 O ASN A 123 1.778 -12.605 13.312 1.00 0.00 O ATOM 1888 CB ASN A 123 4.164 -14.386 13.513 1.00 0.00 C ATOM 1889 CG ASN A 123 4.762 -13.022 13.127 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.764 -12.080 13.918 1.00 0.00 O ATOM 1891 ND2 ASN A 123 5.280 -12.914 11.915 1.00 0.00 N ATOM 0 H ASN A 123 3.107 -16.420 14.477 1.00 0.00 H new ATOM 0 HA ASN A 123 3.281 -13.666 15.380 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.957 -15.014 13.919 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.800 -14.877 12.610 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.696 -12.032 11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.264 -13.712 11.281 1.00 0.00 H new ATOM 1898 N LEU A 124 0.557 -14.306 14.158 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.747 -13.790 13.729 1.00 0.00 C ATOM 1900 C LEU A 124 -1.254 -12.742 14.749 1.00 0.00 C ATOM 1901 O LEU A 124 -1.067 -12.900 15.963 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.754 -14.972 13.601 1.00 0.00 C ATOM 1903 CG LEU A 124 -3.197 -14.620 13.101 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -3.176 -13.994 11.685 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -4.120 -15.861 13.151 1.00 0.00 C ATOM 0 H LEU A 124 0.499 -15.201 14.644 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.652 -13.306 12.757 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.329 -15.708 12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.840 -15.452 14.576 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.604 -13.870 13.780 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.195 -13.764 11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.586 -13.078 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.732 -14.699 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.115 -15.589 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.711 -16.645 12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.185 -16.225 14.176 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.843 -11.648 14.239 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.612 -10.696 15.059 1.00 0.00 C ATOM 1919 C CYS A 125 -4.041 -11.243 15.212 1.00 0.00 C ATOM 1920 O CYS A 125 -4.791 -11.315 14.232 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.612 -9.268 14.438 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.287 -8.185 15.067 1.00 0.00 S ATOM 0 H CYS A 125 -1.800 -11.399 13.251 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.146 -10.599 16.039 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.514 -9.354 13.356 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.575 -8.798 14.634 1.00 0.00 H new ATOM 0 HG CYS A 125 -0.260 -8.907 15.405 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.383 -11.657 16.440 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.678 -12.283 16.747 1.00 0.00 C ATOM 1929 C LEU A 126 -6.760 -11.204 16.902 1.00 0.00 C ATOM 1930 O LEU A 126 -6.464 -10.069 17.299 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.615 -13.140 18.054 1.00 0.00 C ATOM 1932 CG LEU A 126 -4.575 -14.315 18.113 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -4.640 -15.212 16.859 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.146 -13.803 18.365 1.00 0.00 C ATOM 0 H LEU A 126 -3.769 -11.567 17.250 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.925 -12.945 15.917 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.406 -12.467 18.885 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.606 -13.561 18.226 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.853 -14.935 18.965 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.903 -16.011 16.944 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.636 -15.645 16.773 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.426 -14.614 15.973 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.458 -14.647 18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.854 -13.129 17.560 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.113 -13.270 19.315 1.00 0.00 H new ATOM 1946 N ALA A 127 -8.003 -11.580 16.585 1.00 0.00 N ATOM 1947 CA ALA A 127 -9.182 -10.734 16.819 1.00 0.00 C ATOM 1948 C ALA A 127 -9.539 -10.728 18.318 1.00 0.00 C ATOM 1949 O ALA A 127 -9.217 -11.677 19.045 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.361 -11.239 15.968 1.00 0.00 C ATOM 0 H ALA A 127 -8.222 -12.480 16.158 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.959 -9.709 16.522 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.233 -10.609 16.144 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.092 -11.199 14.913 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.594 -12.267 16.244 1.00 0.00 H new ATOM 1956 N MET A 128 -10.211 -9.661 18.768 1.00 0.00 N ATOM 1957 CA MET A 128 -10.639 -9.501 20.172 1.00 0.00 C ATOM 1958 C MET A 128 -11.690 -10.575 20.554 1.00 0.00 C ATOM 1959 O MET A 128 -11.779 -11.007 21.712 1.00 0.00 O ATOM 1960 CB MET A 128 -11.189 -8.063 20.376 1.00 0.00 C ATOM 1961 CG MET A 128 -11.422 -7.662 21.843 1.00 0.00 C ATOM 1962 SD MET A 128 -9.940 -7.833 22.872 1.00 0.00 S ATOM 1963 CE MET A 128 -8.744 -6.800 22.016 1.00 0.00 C ATOM 0 H MET A 128 -10.476 -8.879 18.170 1.00 0.00 H new ATOM 0 HA MET A 128 -9.784 -9.645 20.832 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.492 -7.356 19.927 1.00 0.00 H new ATOM 0 HB3 MET A 128 -12.130 -7.969 19.835 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.765 -6.628 21.880 1.00 0.00 H new ATOM 0 HG3 MET A 128 -12.219 -8.278 22.259 1.00 0.00 H new ATOM 0 HE1 MET A 128 -7.843 -6.708 22.622 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.492 -7.253 21.057 1.00 0.00 H new ATOM 0 HE3 MET A 128 -9.171 -5.811 21.849 1.00 0.00 H new