USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=39 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 102 CYS SG : rot -86:sc= -0.202 USER MOD Set 1.2: A 104 ASN : amide:sc= 1.04 K(o=2.3,f=-4.3!) USER MOD Set 1.3: A 105 CYS SG : rot 53:sc= 1.18 USER MOD Set 1.4: A 118 HIS : no HE2:sc= 0.0218 K(o=2.3,f=1.1) USER MOD Set 1.5: A 125 CYS SG : rot -94:sc= 0.222 USER MOD Set 2.1: A 119 CYS SG : rot -127:sc= 0.177 USER MOD Set 2.2: A 122 CYS SG : rot 47:sc= 0.402! USER MOD Set 3.1: A 87 CYS SG : rot -133:sc= 0.248 USER MOD Set 3.2: A 90 CYS SG : rot -37:sc= -3.66! USER MOD Set 3.3: A 101 HIS : no HD1:sc= -0.0358 X(o=-3.9,f=-3.9) USER MOD Set 3.4: A 108 CYS SG : rot -40:sc= -0.504 USER MOD Set 4.1: A 62 CYS SG : rot -173:sc= 0.367 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.142 K(o=2.4,f=1.2) USER MOD Set 4.3: A 65 CYS SG : rot -50:sc= 0.497 USER MOD Set 4.4: A 69 GLN : amide:sc= -0.698 K(o=2.4,f=-0.43!) USER MOD Set 4.5: A 75 CYS SG : rot 80:sc= -0.658! USER MOD Set 4.6: A 78 CYS SG : rot 40:sc= 1.02! USER MOD Set 4.7: A 80 THR OG1 : rot 129:sc= 1.76! USER MOD Set 5.1: A 46 ASN : amide:sc= 0.183 X(o=0.72,f=0.35) USER MOD Set 5.2: A 47 ASN : amide:sc= 0.532 K(o=0.72,f=-0.27) USER MOD Set 6.1: A 20 CYS SG : rot -46:sc= 0.983 USER MOD Set 6.2: A 22 HIS : no HD1:sc= -0.631 K(o=-2.8,f=-3.5) USER MOD Set 6.3: A 40 CYS SG : rot 129:sc= -3.22! USER MOD Set 6.4: A 43 CYS SG : rot 79:sc= 0.0425 USER MOD Set 7.1: A 33 CYS SG : rot 54:sc= -3.28! USER MOD Set 7.2: A 34 CYS SG : rot 173:sc= 0.133 USER MOD Set 7.3: A 44 HIS : no HD1:sc= -3.46! C(o=-6.6!,f=-8.7!) USER MOD Set 7.4: A 50 HIS : no HD1:sc= 0.0525 K(o=-6.6,f=-7.6) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 140:sc= -3.16! USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.477 (180deg=0.0381) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 1.04 (180deg=0.095) USER MOD Single : A 38 TYR OH : rot -138:sc= -0.0283 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 51 GLN : amide:sc= 0.211 K(o=0.21,f=-3.9!) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.164 (180deg=-0.582) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0.392 (180deg=0.337) USER MOD Single : A 61 GLN : amide:sc= -2.95 X(o=-2.9,f=-3.1!) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= 0.774 (180deg=0.182) USER MOD Single : A 70 HIS : no HE2:sc= 0.222 K(o=0.22,f=-0.97) USER MOD Single : A 72 GLN : amide:sc= -0.39 K(o=-0.39,f=-0.89) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.25) 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 180:sc= 0.0477 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -1.72 X(o=-1.7,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0.744 (180deg=0.688) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc=-0.00887 (180deg=-0.154) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.26) USER MOD Single : A 100 TYR OH : rot -4:sc= 0.873 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 174:sc= -0.0014 (180deg=-0.0455) USER MOD Single : A 123 ASN : amide:sc= -0.0239 X(o=-0.024,f=-0.12) USER MOD Single : A 128 MET CE :methyl -164:sc= -0.158 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -8.962 8.184 -8.632 1.00 0.00 N ATOM 232 CA ARG A 18 -8.085 7.693 -7.548 1.00 0.00 C ATOM 233 C ARG A 18 -8.795 6.682 -6.631 1.00 0.00 C ATOM 234 O ARG A 18 -10.028 6.690 -6.508 1.00 0.00 O ATOM 235 CB ARG A 18 -7.451 8.886 -6.745 1.00 0.00 C ATOM 236 CG ARG A 18 -8.399 10.055 -6.357 1.00 0.00 C ATOM 237 CD ARG A 18 -9.401 9.711 -5.246 1.00 0.00 C ATOM 238 NE ARG A 18 -10.305 10.841 -4.959 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.697 11.237 -3.739 1.00 0.00 C ATOM 240 NH1 ARG A 18 -10.241 10.637 -2.648 1.00 0.00 N ATOM 241 NH2 ARG A 18 -11.542 12.256 -3.622 1.00 0.00 N ATOM 0 HA ARG A 18 -7.266 7.147 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.015 8.485 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.632 9.295 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.797 10.905 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.950 10.370 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.988 8.841 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.860 9.438 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.663 11.366 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.582 9.862 -2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.549 10.950 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.887 12.731 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.845 12.564 -2.698 1.00 0.00 H new ATOM 255 N GLY A 19 -7.989 5.814 -6.005 1.00 0.00 N ATOM 256 CA GLY A 19 -8.471 4.830 -5.039 1.00 0.00 C ATOM 257 C GLY A 19 -8.858 3.497 -5.660 1.00 0.00 C ATOM 258 O GLY A 19 -8.808 3.320 -6.885 1.00 0.00 O ATOM 0 H GLY A 19 -6.981 5.778 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.697 4.660 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.335 5.241 -4.516 1.00 0.00 H new ATOM 262 N CYS A 20 -9.198 2.551 -4.785 1.00 0.00 N ATOM 263 CA CYS A 20 -9.754 1.237 -5.141 1.00 0.00 C ATOM 264 C CYS A 20 -10.429 0.673 -3.881 1.00 0.00 C ATOM 265 O CYS A 20 -10.113 1.113 -2.764 1.00 0.00 O ATOM 266 CB CYS A 20 -8.642 0.278 -5.659 1.00 0.00 C ATOM 267 SG CYS A 20 -9.243 -1.304 -6.357 1.00 0.00 S ATOM 0 H CYS A 20 -9.093 2.677 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.478 1.336 -5.950 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.063 0.797 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.961 0.059 -4.837 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.134 -1.818 -5.562 1.00 0.00 H new ATOM 272 N GLU A 21 -11.350 -0.293 -4.030 1.00 0.00 N ATOM 273 CA GLU A 21 -11.995 -0.944 -2.860 1.00 0.00 C ATOM 274 C GLU A 21 -10.996 -1.830 -2.071 1.00 0.00 C ATOM 275 O GLU A 21 -11.268 -2.192 -0.926 1.00 0.00 O ATOM 276 CB GLU A 21 -13.292 -1.722 -3.261 1.00 0.00 C ATOM 277 CG GLU A 21 -13.240 -2.508 -4.585 1.00 0.00 C ATOM 278 CD GLU A 21 -12.119 -3.546 -4.665 1.00 0.00 C ATOM 279 OE1 GLU A 21 -12.229 -4.603 -4.011 1.00 0.00 O ATOM 280 OE2 GLU A 21 -11.119 -3.296 -5.365 1.00 0.00 O ATOM 0 H GLU A 21 -11.667 -0.643 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.310 -0.148 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.533 -2.420 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.114 -1.008 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.195 -3.012 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.123 -1.802 -5.407 1.00 0.00 H new ATOM 287 N HIS A 22 -9.845 -2.176 -2.695 1.00 0.00 N ATOM 288 CA HIS A 22 -8.755 -2.885 -2.006 1.00 0.00 C ATOM 289 C HIS A 22 -7.954 -1.902 -1.126 1.00 0.00 C ATOM 290 O HIS A 22 -7.779 -2.123 0.074 1.00 0.00 O ATOM 291 CB HIS A 22 -7.807 -3.582 -3.021 1.00 0.00 C ATOM 292 CG HIS A 22 -8.458 -4.658 -3.841 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.415 -4.641 -5.216 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.150 -5.752 -3.434 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.083 -5.709 -5.611 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.546 -6.412 -4.568 1.00 0.00 N ATOM 0 H HIS A 22 -9.653 -1.973 -3.676 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.200 -3.653 -1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.397 -2.828 -3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.967 -4.015 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.350 -6.046 -2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.237 -5.982 -6.645 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.090 -7.274 -4.610 1.00 0.00 H new ATOM 304 N TYR A 23 -7.472 -0.810 -1.758 1.00 0.00 N ATOM 305 CA TYR A 23 -6.665 0.237 -1.094 1.00 0.00 C ATOM 306 C TYR A 23 -7.249 1.607 -1.446 1.00 0.00 C ATOM 307 O TYR A 23 -7.321 1.956 -2.635 1.00 0.00 O ATOM 308 CB TYR A 23 -5.176 0.205 -1.558 1.00 0.00 C ATOM 309 CG TYR A 23 -4.453 -1.144 -1.406 1.00 0.00 C ATOM 310 CD1 TYR A 23 -3.765 -1.488 -0.238 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.448 -2.068 -2.447 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.105 -2.700 -0.129 1.00 0.00 C ATOM 313 CE2 TYR A 23 -3.790 -3.273 -2.341 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.122 -3.588 -1.185 1.00 0.00 C ATOM 315 OH TYR A 23 -2.455 -4.785 -1.093 1.00 0.00 O ATOM 0 H TYR A 23 -7.633 -0.629 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.695 0.053 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.136 0.500 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.624 0.957 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.748 -0.797 0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.974 -1.834 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.578 -2.950 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.800 -3.969 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.572 -5.289 -1.925 1.00 0.00 H new ATOM 325 N ASP A 24 -7.663 2.372 -0.427 1.00 0.00 N ATOM 326 CA ASP A 24 -8.080 3.774 -0.586 1.00 0.00 C ATOM 327 C ASP A 24 -6.807 4.617 -0.762 1.00 0.00 C ATOM 328 O ASP A 24 -6.218 5.105 0.209 1.00 0.00 O ATOM 329 CB ASP A 24 -8.905 4.244 0.638 1.00 0.00 C ATOM 330 CG ASP A 24 -10.112 3.344 0.929 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.192 3.559 0.332 1.00 0.00 O ATOM 332 OD2 ASP A 24 -9.987 2.408 1.755 1.00 0.00 O ATOM 0 H ASP A 24 -7.719 2.036 0.534 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.724 3.886 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.259 4.271 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.252 5.263 0.466 1.00 0.00 H new ATOM 337 N ARG A 25 -6.348 4.710 -2.017 1.00 0.00 N ATOM 338 CA ARG A 25 -5.011 5.163 -2.348 1.00 0.00 C ATOM 339 C ARG A 25 -5.020 6.087 -3.583 1.00 0.00 C ATOM 340 O ARG A 25 -5.477 5.693 -4.659 1.00 0.00 O ATOM 341 CB ARG A 25 -4.174 3.894 -2.608 1.00 0.00 C ATOM 342 CG ARG A 25 -2.786 4.142 -3.182 1.00 0.00 C ATOM 343 CD ARG A 25 -1.965 2.851 -3.333 1.00 0.00 C ATOM 344 NE ARG A 25 -1.847 2.145 -2.051 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.289 0.949 -1.868 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.754 0.270 -2.882 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.279 0.433 -0.653 1.00 0.00 N ATOM 0 H ARG A 25 -6.910 4.467 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.588 5.752 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.070 3.348 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.724 3.249 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.881 4.623 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.249 4.835 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.438 2.200 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.972 3.091 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.226 2.612 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.766 0.664 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.332 -0.644 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.693 0.949 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.857 -0.481 -0.491 1.00 0.00 H new ATOM 361 N GLY A 26 -4.442 7.291 -3.423 1.00 0.00 N ATOM 362 CA GLY A 26 -4.335 8.277 -4.503 1.00 0.00 C ATOM 363 C GLY A 26 -3.058 8.134 -5.325 1.00 0.00 C ATOM 364 O GLY A 26 -2.552 9.128 -5.874 1.00 0.00 O ATOM 0 H GLY A 26 -4.037 7.604 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.197 8.178 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.374 9.279 -4.076 1.00 0.00 H new ATOM 368 N CYS A 27 -2.542 6.889 -5.436 1.00 0.00 N ATOM 369 CA CYS A 27 -1.330 6.592 -6.212 1.00 0.00 C ATOM 370 C CYS A 27 -1.434 5.223 -6.900 1.00 0.00 C ATOM 371 O CYS A 27 -2.111 4.309 -6.413 1.00 0.00 O ATOM 372 CB CYS A 27 -0.063 6.651 -5.315 1.00 0.00 C ATOM 373 SG CYS A 27 0.035 5.420 -3.999 1.00 0.00 S ATOM 0 H CYS A 27 -2.956 6.070 -4.990 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.240 7.357 -6.984 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.814 6.542 -5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.008 7.641 -4.863 1.00 0.00 H new ATOM 0 HG CYS A 27 1.255 4.981 -3.905 1.00 0.00 H new ATOM 379 N LEU A 28 -0.798 5.125 -8.078 1.00 0.00 N ATOM 380 CA LEU A 28 -0.598 3.857 -8.797 1.00 0.00 C ATOM 381 C LEU A 28 0.828 3.368 -8.504 1.00 0.00 C ATOM 382 O LEU A 28 1.749 4.168 -8.446 1.00 0.00 O ATOM 383 CB LEU A 28 -0.792 4.061 -10.324 1.00 0.00 C ATOM 384 CG LEU A 28 -2.178 4.632 -10.779 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.163 5.101 -12.250 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.312 3.612 -10.559 1.00 0.00 C ATOM 0 H LEU A 28 -0.404 5.932 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.328 3.119 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.012 4.733 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.638 3.102 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.369 5.503 -10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.146 5.488 -12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.417 5.886 -12.374 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.915 4.260 -12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.258 4.043 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.106 2.710 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.375 3.360 -9.500 1.00 0.00 H new ATOM 398 N LEU A 29 0.998 2.067 -8.347 1.00 0.00 N ATOM 399 CA LEU A 29 2.300 1.450 -8.027 1.00 0.00 C ATOM 400 C LEU A 29 3.076 1.240 -9.328 1.00 0.00 C ATOM 401 O LEU A 29 2.622 0.476 -10.198 1.00 0.00 O ATOM 402 CB LEU A 29 2.092 0.095 -7.285 1.00 0.00 C ATOM 403 CG LEU A 29 1.526 0.189 -5.824 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.370 -1.214 -5.182 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.396 1.113 -4.932 1.00 0.00 C ATOM 0 H LEU A 29 0.238 1.392 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 29 2.867 2.107 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.414 -0.520 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.048 -0.428 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 29 0.534 0.635 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.976 -1.110 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.683 -1.813 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.342 -1.707 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.973 1.153 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.411 0.720 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.416 2.116 -5.358 1.00 0.00 H new ATOM 417 N LYS A 30 4.214 1.949 -9.481 1.00 0.00 N ATOM 418 CA LYS A 30 5.065 1.806 -10.665 1.00 0.00 C ATOM 419 C LYS A 30 5.843 0.494 -10.575 1.00 0.00 C ATOM 420 O LYS A 30 6.814 0.381 -9.817 1.00 0.00 O ATOM 421 CB LYS A 30 6.018 3.005 -10.856 1.00 0.00 C ATOM 422 CG LYS A 30 6.745 2.960 -12.207 1.00 0.00 C ATOM 423 CD LYS A 30 7.738 4.111 -12.405 1.00 0.00 C ATOM 424 CE LYS A 30 8.444 3.985 -13.750 1.00 0.00 C ATOM 425 NZ LYS A 30 9.491 5.025 -13.935 1.00 0.00 N ATOM 0 H LYS A 30 4.558 2.623 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 30 4.420 1.787 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.451 3.933 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.752 3.015 -10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.277 2.013 -12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.007 2.985 -13.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.213 5.065 -12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.473 4.107 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.898 2.997 -13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.710 4.064 -14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.309 4.611 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.107 5.808 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.791 5.385 -13.006 1.00 0.00 H new ATOM 439 N ALA A 31 5.365 -0.483 -11.345 1.00 0.00 N ATOM 440 CA ALA A 31 5.891 -1.839 -11.394 1.00 0.00 C ATOM 441 C ALA A 31 7.088 -1.877 -12.343 1.00 0.00 C ATOM 442 O ALA A 31 6.882 -1.835 -13.551 1.00 0.00 O ATOM 443 CB ALA A 31 4.781 -2.808 -11.862 1.00 0.00 C ATOM 0 H ALA A 31 4.573 -0.343 -11.972 1.00 0.00 H new ATOM 0 HA ALA A 31 6.221 -2.151 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.176 -3.823 -11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.945 -2.769 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.438 -2.516 -12.855 1.00 0.00 H new ATOM 449 N PRO A 32 8.362 -1.973 -11.829 1.00 0.00 N ATOM 450 CA PRO A 32 9.575 -1.978 -12.692 1.00 0.00 C ATOM 451 C PRO A 32 9.683 -3.281 -13.522 1.00 0.00 C ATOM 452 O PRO A 32 10.495 -3.382 -14.448 1.00 0.00 O ATOM 453 CB PRO A 32 10.732 -1.844 -11.665 1.00 0.00 C ATOM 454 CG PRO A 32 10.195 -2.475 -10.417 1.00 0.00 C ATOM 455 CD PRO A 32 8.722 -2.123 -10.385 1.00 0.00 C ATOM 0 HA PRO A 32 9.575 -1.183 -13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.632 -2.352 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.998 -0.800 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.340 -3.555 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.708 -2.095 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.134 -2.905 -9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.542 -1.202 -9.830 1.00 0.00 H new ATOM 463 N CYS A 33 8.828 -4.259 -13.163 1.00 0.00 N ATOM 464 CA CYS A 33 8.726 -5.564 -13.821 1.00 0.00 C ATOM 465 C CYS A 33 8.070 -5.471 -15.221 1.00 0.00 C ATOM 466 O CYS A 33 8.235 -6.379 -16.041 1.00 0.00 O ATOM 467 CB CYS A 33 7.911 -6.489 -12.901 1.00 0.00 C ATOM 468 SG CYS A 33 6.311 -5.784 -12.378 1.00 0.00 S ATOM 0 H CYS A 33 8.175 -4.154 -12.386 1.00 0.00 H new ATOM 0 HA CYS A 33 9.728 -5.960 -13.984 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.731 -7.432 -13.417 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.503 -6.719 -12.015 1.00 0.00 H new ATOM 0 HG CYS A 33 5.630 -5.429 -13.427 1.00 0.00 H new ATOM 473 N CYS A 34 7.306 -4.383 -15.477 1.00 0.00 N ATOM 474 CA CYS A 34 6.634 -4.158 -16.790 1.00 0.00 C ATOM 475 C CYS A 34 6.340 -2.664 -17.042 1.00 0.00 C ATOM 476 O CYS A 34 5.580 -2.333 -17.963 1.00 0.00 O ATOM 477 CB CYS A 34 5.329 -4.993 -16.876 1.00 0.00 C ATOM 478 SG CYS A 34 4.209 -4.773 -15.458 1.00 0.00 S ATOM 0 H CYS A 34 7.136 -3.644 -14.795 1.00 0.00 H new ATOM 0 HA CYS A 34 7.320 -4.487 -17.570 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.798 -4.724 -17.789 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.590 -6.048 -16.958 1.00 0.00 H new ATOM 0 HG CYS A 34 3.086 -5.385 -15.693 1.00 0.00 H new ATOM 483 N ASP A 35 6.959 -1.773 -16.224 1.00 0.00 N ATOM 484 CA ASP A 35 6.810 -0.289 -16.313 1.00 0.00 C ATOM 485 C ASP A 35 5.353 0.194 -16.110 1.00 0.00 C ATOM 486 O ASP A 35 5.051 1.366 -16.357 1.00 0.00 O ATOM 487 CB ASP A 35 7.387 0.245 -17.660 1.00 0.00 C ATOM 488 CG ASP A 35 8.903 0.024 -17.786 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.332 -1.118 -18.076 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.675 0.979 -17.554 1.00 0.00 O ATOM 0 H ASP A 35 7.585 -2.065 -15.473 1.00 0.00 H new ATOM 0 HA ASP A 35 7.388 0.127 -15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.882 -0.251 -18.489 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.171 1.310 -17.746 1.00 0.00 H new ATOM 495 N LYS A 36 4.469 -0.693 -15.613 1.00 0.00 N ATOM 496 CA LYS A 36 3.010 -0.441 -15.566 1.00 0.00 C ATOM 497 C LYS A 36 2.541 0.118 -14.225 1.00 0.00 C ATOM 498 O LYS A 36 3.221 0.007 -13.212 1.00 0.00 O ATOM 499 CB LYS A 36 2.222 -1.722 -15.920 1.00 0.00 C ATOM 500 CG LYS A 36 2.209 -2.049 -17.423 1.00 0.00 C ATOM 501 CD LYS A 36 1.280 -3.226 -17.753 1.00 0.00 C ATOM 502 CE LYS A 36 1.065 -3.406 -19.255 1.00 0.00 C ATOM 503 NZ LYS A 36 0.170 -4.554 -19.549 1.00 0.00 N ATOM 0 H LYS A 36 4.741 -1.600 -15.234 1.00 0.00 H new ATOM 0 HA LYS A 36 2.807 0.326 -16.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.654 -2.564 -15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.195 -1.613 -15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.890 -1.169 -17.982 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.222 -2.285 -17.750 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.700 -4.142 -17.338 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.316 -3.069 -17.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.637 -2.495 -19.673 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.027 -3.560 -19.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.555 -5.099 -20.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.105 -5.167 -18.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.777 -4.202 -19.795 1.00 0.00 H new ATOM 517 N LEU A 37 1.336 0.709 -14.260 1.00 0.00 N ATOM 518 CA LEU A 37 0.776 1.503 -13.153 1.00 0.00 C ATOM 519 C LEU A 37 -0.562 0.912 -12.677 1.00 0.00 C ATOM 520 O LEU A 37 -1.552 0.937 -13.419 1.00 0.00 O ATOM 521 CB LEU A 37 0.591 2.986 -13.601 1.00 0.00 C ATOM 522 CG LEU A 37 1.884 3.856 -13.750 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.756 3.777 -12.484 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.694 3.540 -15.029 1.00 0.00 C ATOM 0 H LEU A 37 0.715 0.649 -15.067 1.00 0.00 H new ATOM 0 HA LEU A 37 1.474 1.472 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.071 2.987 -14.559 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.065 3.477 -12.882 1.00 0.00 H new ATOM 0 HG LEU A 37 1.548 4.887 -13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.647 4.391 -12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.188 4.142 -11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.051 2.742 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.576 4.179 -15.068 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.003 2.495 -15.015 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.074 3.723 -15.907 1.00 0.00 H new ATOM 536 N TYR A 38 -0.573 0.368 -11.438 1.00 0.00 N ATOM 537 CA TYR A 38 -1.774 -0.234 -10.811 1.00 0.00 C ATOM 538 C TYR A 38 -1.809 0.101 -9.308 1.00 0.00 C ATOM 539 O TYR A 38 -0.831 -0.160 -8.612 1.00 0.00 O ATOM 540 CB TYR A 38 -1.766 -1.779 -10.975 1.00 0.00 C ATOM 541 CG TYR A 38 -1.766 -2.295 -12.422 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.954 -2.425 -13.142 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.579 -2.690 -13.053 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.960 -2.933 -14.424 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.586 -3.194 -14.341 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.779 -3.316 -15.020 1.00 0.00 C ATOM 547 OH TYR A 38 -1.797 -3.833 -16.301 1.00 0.00 O ATOM 0 H TYR A 38 0.254 0.334 -10.842 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.653 0.177 -11.307 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.887 -2.175 -10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.639 -2.185 -10.464 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.886 -2.122 -12.687 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.358 -2.599 -12.524 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.892 -3.031 -14.961 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.339 -3.491 -14.812 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.185 -4.596 -16.354 1.00 0.00 H new ATOM 557 N THR A 39 -2.951 0.640 -8.817 1.00 0.00 N ATOM 558 CA THR A 39 -3.157 1.004 -7.386 1.00 0.00 C ATOM 559 C THR A 39 -2.857 -0.186 -6.424 1.00 0.00 C ATOM 560 O THR A 39 -2.394 0.009 -5.290 1.00 0.00 O ATOM 561 CB THR A 39 -4.631 1.509 -7.169 1.00 0.00 C ATOM 562 OG1 THR A 39 -4.912 2.593 -8.059 1.00 0.00 O ATOM 563 CG2 THR A 39 -4.923 1.969 -5.729 1.00 0.00 C ATOM 0 H THR A 39 -3.762 0.837 -9.403 1.00 0.00 H new ATOM 0 HA THR A 39 -2.453 1.801 -7.148 1.00 0.00 H new ATOM 0 HB THR A 39 -5.273 0.652 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.832 2.901 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.958 2.303 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.761 1.139 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.257 2.792 -5.468 1.00 0.00 H new ATOM 571 N CYS A 40 -3.103 -1.418 -6.905 1.00 0.00 N ATOM 572 CA CYS A 40 -2.924 -2.647 -6.106 1.00 0.00 C ATOM 573 C CYS A 40 -1.904 -3.588 -6.762 1.00 0.00 C ATOM 574 O CYS A 40 -1.705 -3.541 -7.982 1.00 0.00 O ATOM 575 CB CYS A 40 -4.260 -3.390 -5.987 1.00 0.00 C ATOM 576 SG CYS A 40 -5.671 -2.363 -5.536 1.00 0.00 S ATOM 0 H CYS A 40 -3.431 -1.591 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.561 -2.354 -5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.474 -3.875 -6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.153 -4.180 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.643 -2.569 -6.374 1.00 0.00 H new ATOM 581 N ARG A 41 -1.303 -4.479 -5.944 1.00 0.00 N ATOM 582 CA ARG A 41 -0.433 -5.555 -6.454 1.00 0.00 C ATOM 583 C ARG A 41 -1.271 -6.652 -7.153 1.00 0.00 C ATOM 584 O ARG A 41 -0.817 -7.270 -8.119 1.00 0.00 O ATOM 585 CB ARG A 41 0.434 -6.179 -5.319 1.00 0.00 C ATOM 586 CG ARG A 41 -0.338 -6.929 -4.206 1.00 0.00 C ATOM 587 CD ARG A 41 0.579 -7.835 -3.355 1.00 0.00 C ATOM 588 NE ARG A 41 1.311 -8.812 -4.197 1.00 0.00 N ATOM 589 CZ ARG A 41 0.855 -10.020 -4.587 1.00 0.00 C ATOM 590 NH1 ARG A 41 -0.333 -10.468 -4.199 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.602 -10.780 -5.376 1.00 0.00 N ATOM 0 H ARG A 41 -1.406 -4.472 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 41 0.242 -5.109 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.144 -6.872 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.017 -5.383 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.829 -6.204 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.123 -7.535 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.292 -7.220 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.019 -8.367 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 41 2.245 -8.546 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.921 -9.895 -3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.658 -11.385 -4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.516 -10.450 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.262 -11.694 -5.674 1.00 0.00 H new ATOM 605 N LEU A 42 -2.500 -6.871 -6.645 1.00 0.00 N ATOM 606 CA LEU A 42 -3.430 -7.891 -7.169 1.00 0.00 C ATOM 607 C LEU A 42 -4.199 -7.395 -8.415 1.00 0.00 C ATOM 608 O LEU A 42 -4.461 -8.182 -9.324 1.00 0.00 O ATOM 609 CB LEU A 42 -4.406 -8.419 -6.070 1.00 0.00 C ATOM 610 CG LEU A 42 -5.394 -7.410 -5.370 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.592 -8.166 -4.753 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.705 -6.560 -4.266 1.00 0.00 C ATOM 0 H LEU A 42 -2.877 -6.344 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.814 -8.733 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.008 -9.210 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.802 -8.881 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.739 -6.729 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.264 -7.454 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.128 -8.700 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.230 -8.878 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.434 -5.884 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.303 -7.219 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.894 -5.980 -4.706 1.00 0.00 H new ATOM 624 N CYS A 43 -4.549 -6.085 -8.462 1.00 0.00 N ATOM 625 CA CYS A 43 -5.156 -5.459 -9.681 1.00 0.00 C ATOM 626 C CYS A 43 -4.145 -5.449 -10.856 1.00 0.00 C ATOM 627 O CYS A 43 -4.535 -5.402 -12.026 1.00 0.00 O ATOM 628 CB CYS A 43 -5.717 -4.034 -9.380 1.00 0.00 C ATOM 629 SG CYS A 43 -7.392 -4.008 -8.623 1.00 0.00 S ATOM 0 H CYS A 43 -4.426 -5.440 -7.681 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.006 -6.070 -9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.025 -3.520 -8.713 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.745 -3.466 -10.310 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.299 -4.278 -7.355 1.00 0.00 H new ATOM 634 N HIS A 44 -2.843 -5.487 -10.514 1.00 0.00 N ATOM 635 CA HIS A 44 -1.758 -5.759 -11.473 1.00 0.00 C ATOM 636 C HIS A 44 -1.821 -7.223 -11.947 1.00 0.00 C ATOM 637 O HIS A 44 -1.977 -7.482 -13.136 1.00 0.00 O ATOM 638 CB HIS A 44 -0.383 -5.441 -10.813 1.00 0.00 C ATOM 639 CG HIS A 44 0.832 -6.028 -11.507 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.195 -7.349 -11.361 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.824 -5.456 -12.268 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.336 -7.540 -12.003 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.769 -6.444 -12.567 1.00 0.00 N ATOM 0 H HIS A 44 -2.514 -5.329 -9.561 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.878 -5.119 -12.347 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.265 -4.358 -10.767 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.402 -5.803 -9.785 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.867 -4.423 -12.581 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.849 -8.489 -12.055 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.622 -6.331 -13.114 1.00 0.00 H new ATOM 651 N ASP A 45 -1.734 -8.159 -10.979 1.00 0.00 N ATOM 652 CA ASP A 45 -1.584 -9.613 -11.235 1.00 0.00 C ATOM 653 C ASP A 45 -2.766 -10.202 -12.036 1.00 0.00 C ATOM 654 O ASP A 45 -2.586 -11.148 -12.810 1.00 0.00 O ATOM 655 CB ASP A 45 -1.398 -10.355 -9.877 1.00 0.00 C ATOM 656 CG ASP A 45 -1.312 -11.893 -9.993 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.470 -12.395 -10.766 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.101 -12.603 -9.324 1.00 0.00 O ATOM 0 H ASP A 45 -1.766 -7.927 -9.986 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.700 -9.758 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.490 -9.988 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.230 -10.099 -9.221 1.00 0.00 H new ATOM 663 N ASN A 46 -3.962 -9.611 -11.859 1.00 0.00 N ATOM 664 CA ASN A 46 -5.179 -10.004 -12.602 1.00 0.00 C ATOM 665 C ASN A 46 -5.007 -9.789 -14.124 1.00 0.00 C ATOM 666 O ASN A 46 -5.456 -10.605 -14.937 1.00 0.00 O ATOM 667 CB ASN A 46 -6.396 -9.200 -12.064 1.00 0.00 C ATOM 668 CG ASN A 46 -7.702 -9.435 -12.846 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.432 -10.394 -12.590 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.010 -8.556 -13.795 1.00 0.00 N ATOM 0 H ASN A 46 -4.114 -8.849 -11.199 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.354 -11.068 -12.445 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.559 -9.464 -11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.156 -8.137 -12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.870 -8.666 -14.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.387 -7.771 -13.985 1.00 0.00 H new ATOM 677 N ASN A 47 -4.339 -8.687 -14.483 1.00 0.00 N ATOM 678 CA ASN A 47 -4.157 -8.252 -15.887 1.00 0.00 C ATOM 679 C ASN A 47 -2.829 -8.765 -16.475 1.00 0.00 C ATOM 680 O ASN A 47 -2.694 -8.895 -17.698 1.00 0.00 O ATOM 681 CB ASN A 47 -4.217 -6.702 -15.942 1.00 0.00 C ATOM 682 CG ASN A 47 -5.570 -6.143 -15.483 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.623 -6.734 -15.726 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.549 -5.028 -14.780 1.00 0.00 N ATOM 0 H ASN A 47 -3.902 -8.061 -13.806 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.957 -8.677 -16.493 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.427 -6.290 -15.314 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.019 -6.371 -16.962 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.419 -4.634 -14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.662 -4.559 -14.594 1.00 0.00 H new ATOM 691 N GLU A 48 -1.849 -9.049 -15.599 1.00 0.00 N ATOM 692 CA GLU A 48 -0.481 -9.447 -16.013 1.00 0.00 C ATOM 693 C GLU A 48 -0.274 -10.972 -15.999 1.00 0.00 C ATOM 694 O GLU A 48 -1.071 -11.727 -15.431 1.00 0.00 O ATOM 695 CB GLU A 48 0.569 -8.755 -15.104 1.00 0.00 C ATOM 696 CG GLU A 48 0.535 -7.216 -15.153 1.00 0.00 C ATOM 697 CD GLU A 48 0.841 -6.638 -16.541 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.037 -6.521 -16.895 1.00 0.00 O ATOM 699 OE2 GLU A 48 -0.108 -6.295 -17.283 1.00 0.00 O ATOM 0 H GLU A 48 -1.976 -9.011 -14.588 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.350 -9.120 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.410 -9.078 -14.075 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.563 -9.094 -15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.449 -6.872 -14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.257 -6.822 -14.438 1.00 0.00 H new ATOM 706 N ASP A 49 0.834 -11.394 -16.637 1.00 0.00 N ATOM 707 CA ASP A 49 1.297 -12.798 -16.684 1.00 0.00 C ATOM 708 C ASP A 49 2.164 -13.137 -15.448 1.00 0.00 C ATOM 709 O ASP A 49 2.670 -14.257 -15.329 1.00 0.00 O ATOM 710 CB ASP A 49 2.140 -13.036 -17.975 1.00 0.00 C ATOM 711 CG ASP A 49 1.367 -12.816 -19.291 1.00 0.00 C ATOM 712 OD1 ASP A 49 0.948 -11.669 -19.561 1.00 0.00 O ATOM 713 OD2 ASP A 49 1.199 -13.779 -20.073 1.00 0.00 O ATOM 0 H ASP A 49 1.447 -10.757 -17.146 1.00 0.00 H new ATOM 0 HA ASP A 49 0.418 -13.443 -16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.002 -12.370 -17.959 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.525 -14.056 -17.960 1.00 0.00 H new ATOM 718 N HIS A 50 2.317 -12.159 -14.532 1.00 0.00 N ATOM 719 CA HIS A 50 3.228 -12.250 -13.375 1.00 0.00 C ATOM 720 C HIS A 50 2.692 -11.380 -12.214 1.00 0.00 C ATOM 721 O HIS A 50 1.752 -10.594 -12.398 1.00 0.00 O ATOM 722 CB HIS A 50 4.661 -11.817 -13.804 1.00 0.00 C ATOM 723 CG HIS A 50 4.736 -10.403 -14.317 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.250 -10.003 -15.538 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.171 -9.276 -13.710 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.390 -8.674 -15.621 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.942 -8.175 -14.528 1.00 0.00 N ATOM 0 H HIS A 50 1.807 -11.277 -14.576 1.00 0.00 H new ATOM 0 HA HIS A 50 3.278 -13.280 -13.022 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.333 -11.922 -12.952 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.020 -12.495 -14.578 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.629 -9.237 -12.733 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.090 -8.083 -16.474 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.153 -7.197 -14.329 1.00 0.00 H new ATOM 735 N GLN A 51 3.313 -11.511 -11.026 1.00 0.00 N ATOM 736 CA GLN A 51 2.856 -10.837 -9.782 1.00 0.00 C ATOM 737 C GLN A 51 3.700 -9.582 -9.470 1.00 0.00 C ATOM 738 O GLN A 51 4.903 -9.540 -9.768 1.00 0.00 O ATOM 739 CB GLN A 51 2.911 -11.814 -8.578 1.00 0.00 C ATOM 740 CG GLN A 51 2.086 -13.100 -8.778 1.00 0.00 C ATOM 741 CD GLN A 51 2.024 -14.008 -7.547 1.00 0.00 C ATOM 742 OE1 GLN A 51 2.076 -13.538 -6.409 1.00 0.00 O ATOM 743 NE2 GLN A 51 1.883 -15.310 -7.759 1.00 0.00 N ATOM 0 H GLN A 51 4.146 -12.085 -10.895 1.00 0.00 H new ATOM 0 HA GLN A 51 1.825 -10.524 -9.946 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.950 -12.086 -8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.551 -11.298 -7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.071 -12.825 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.509 -13.664 -9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.843 -15.670 -8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.814 -15.951 -6.968 1.00 0.00 H new ATOM 752 N LEU A 52 3.040 -8.554 -8.896 1.00 0.00 N ATOM 753 CA LEU A 52 3.696 -7.304 -8.444 1.00 0.00 C ATOM 754 C LEU A 52 4.114 -7.475 -6.988 1.00 0.00 C ATOM 755 O LEU A 52 3.270 -7.799 -6.137 1.00 0.00 O ATOM 756 CB LEU A 52 2.725 -6.086 -8.599 1.00 0.00 C ATOM 757 CG LEU A 52 3.267 -4.626 -8.296 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.476 -3.557 -9.092 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.222 -4.270 -6.789 1.00 0.00 C ATOM 0 H LEU A 52 2.033 -8.566 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 52 4.575 -7.106 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.351 -6.092 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.870 -6.262 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 52 4.310 -4.625 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.871 -2.567 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.577 -3.750 -10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.423 -3.601 -8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.605 -3.260 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.193 -4.324 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.836 -4.976 -6.230 1.00 0.00 H new ATOM 771 N ASP A 53 5.403 -7.262 -6.696 1.00 0.00 N ATOM 772 CA ASP A 53 5.886 -7.201 -5.315 1.00 0.00 C ATOM 773 C ASP A 53 5.885 -5.747 -4.834 1.00 0.00 C ATOM 774 O ASP A 53 6.413 -4.847 -5.503 1.00 0.00 O ATOM 775 CB ASP A 53 7.288 -7.811 -5.162 1.00 0.00 C ATOM 776 CG ASP A 53 7.799 -7.712 -3.711 1.00 0.00 C ATOM 777 OD1 ASP A 53 7.200 -8.342 -2.814 1.00 0.00 O ATOM 778 OD2 ASP A 53 8.768 -6.972 -3.461 1.00 0.00 O ATOM 0 H ASP A 53 6.129 -7.129 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 53 5.210 -7.795 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.265 -8.857 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.982 -7.298 -5.828 1.00 0.00 H new ATOM 783 N ARG A 54 5.304 -5.563 -3.652 1.00 0.00 N ATOM 784 CA ARG A 54 5.064 -4.249 -3.042 1.00 0.00 C ATOM 785 C ARG A 54 6.359 -3.546 -2.584 1.00 0.00 C ATOM 786 O ARG A 54 6.329 -2.339 -2.382 1.00 0.00 O ATOM 787 CB ARG A 54 4.035 -4.335 -1.860 1.00 0.00 C ATOM 788 CG ARG A 54 4.423 -5.229 -0.640 1.00 0.00 C ATOM 789 CD ARG A 54 4.259 -6.743 -0.904 1.00 0.00 C ATOM 790 NE ARG A 54 4.429 -7.560 0.313 1.00 0.00 N ATOM 791 CZ ARG A 54 4.947 -8.802 0.348 1.00 0.00 C ATOM 792 NH1 ARG A 54 5.492 -9.350 -0.731 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.959 -9.480 1.489 1.00 0.00 N ATOM 0 H ARG A 54 4.978 -6.338 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 54 4.632 -3.634 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.855 -3.324 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.090 -4.702 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.459 -5.027 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.807 -4.949 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.271 -6.928 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.988 -7.057 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 54 4.130 -7.151 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.524 -8.829 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.879 -10.292 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.576 -9.060 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.351 -10.421 1.519 1.00 0.00 H new ATOM 807 N PHE A 55 7.499 -4.266 -2.456 1.00 0.00 N ATOM 808 CA PHE A 55 8.744 -3.660 -1.931 1.00 0.00 C ATOM 809 C PHE A 55 9.638 -3.208 -3.087 1.00 0.00 C ATOM 810 O PHE A 55 10.390 -2.243 -2.959 1.00 0.00 O ATOM 811 CB PHE A 55 9.505 -4.656 -1.023 1.00 0.00 C ATOM 812 CG PHE A 55 8.676 -5.193 0.142 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.164 -4.328 1.111 1.00 0.00 C ATOM 814 CD2 PHE A 55 8.414 -6.555 0.275 1.00 0.00 C ATOM 815 CE1 PHE A 55 7.420 -4.811 2.169 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.671 -7.031 1.336 1.00 0.00 C ATOM 817 CZ PHE A 55 7.174 -6.161 2.283 1.00 0.00 C ATOM 0 H PHE A 55 7.582 -5.252 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 55 8.474 -2.791 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.848 -5.495 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.394 -4.165 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.352 -3.267 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.797 -7.246 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.030 -4.128 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.478 -8.090 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.593 -6.537 3.112 1.00 0.00 H new ATOM 827 N LYS A 56 9.546 -3.924 -4.220 1.00 0.00 N ATOM 828 CA LYS A 56 10.409 -3.688 -5.391 1.00 0.00 C ATOM 829 C LYS A 56 9.860 -2.596 -6.314 1.00 0.00 C ATOM 830 O LYS A 56 10.589 -2.086 -7.168 1.00 0.00 O ATOM 831 CB LYS A 56 10.662 -5.018 -6.134 1.00 0.00 C ATOM 832 CG LYS A 56 11.411 -6.038 -5.248 1.00 0.00 C ATOM 833 CD LYS A 56 11.958 -7.250 -6.026 1.00 0.00 C ATOM 834 CE LYS A 56 10.885 -8.266 -6.442 1.00 0.00 C ATOM 835 NZ LYS A 56 10.348 -8.996 -5.266 1.00 0.00 N ATOM 0 H LYS A 56 8.874 -4.680 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 56 11.367 -3.309 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.710 -5.443 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.242 -4.825 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.239 -5.534 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.737 -6.392 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.470 -6.893 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.703 -7.756 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.073 -7.751 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.310 -8.977 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.425 -9.410 -5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.008 -9.754 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.235 -8.336 -4.470 1.00 0.00 H new ATOM 849 N VAL A 57 8.576 -2.248 -6.151 1.00 0.00 N ATOM 850 CA VAL A 57 8.041 -0.987 -6.702 1.00 0.00 C ATOM 851 C VAL A 57 8.623 0.181 -5.883 1.00 0.00 C ATOM 852 O VAL A 57 8.561 0.167 -4.648 1.00 0.00 O ATOM 853 CB VAL A 57 6.459 -0.948 -6.739 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.922 -2.037 -7.678 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.814 -1.081 -5.342 1.00 0.00 C ATOM 0 H VAL A 57 7.892 -2.813 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 57 8.348 -0.903 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 57 6.181 0.035 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.833 -1.999 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.306 -1.871 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.246 -3.015 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.729 -1.047 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.109 -2.030 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.148 -0.260 -4.707 1.00 0.00 H new ATOM 865 N LYS A 58 9.264 1.151 -6.561 1.00 0.00 N ATOM 866 CA LYS A 58 9.928 2.281 -5.886 1.00 0.00 C ATOM 867 C LYS A 58 9.162 3.581 -6.122 1.00 0.00 C ATOM 868 O LYS A 58 8.808 4.261 -5.171 1.00 0.00 O ATOM 869 CB LYS A 58 11.409 2.431 -6.325 1.00 0.00 C ATOM 870 CG LYS A 58 12.226 3.540 -5.589 1.00 0.00 C ATOM 871 CD LYS A 58 12.518 3.267 -4.072 1.00 0.00 C ATOM 872 CE LYS A 58 11.366 3.646 -3.109 1.00 0.00 C ATOM 873 NZ LYS A 58 11.643 3.260 -1.695 1.00 0.00 N ATOM 0 H LYS A 58 9.336 1.174 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 58 9.925 2.065 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.912 1.476 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.432 2.638 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.176 3.671 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.685 4.482 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.745 2.208 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.411 3.821 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.195 4.721 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.448 3.161 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.768 3.331 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.994 2.281 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.361 3.898 -1.295 1.00 0.00 H new ATOM 887 N GLU A 59 8.939 3.939 -7.390 1.00 0.00 N ATOM 888 CA GLU A 59 8.155 5.135 -7.743 1.00 0.00 C ATOM 889 C GLU A 59 6.664 4.806 -7.789 1.00 0.00 C ATOM 890 O GLU A 59 6.259 3.634 -7.735 1.00 0.00 O ATOM 891 CB GLU A 59 8.635 5.721 -9.094 1.00 0.00 C ATOM 892 CG GLU A 59 10.016 6.394 -9.006 1.00 0.00 C ATOM 893 CD GLU A 59 10.502 7.000 -10.338 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.546 6.270 -11.357 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.846 8.203 -10.369 1.00 0.00 O ATOM 0 H GLU A 59 9.290 3.418 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 59 8.311 5.890 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.673 4.923 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.905 6.449 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.978 7.181 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.746 5.660 -8.664 1.00 0.00 H new ATOM 902 N VAL A 60 5.858 5.867 -7.852 1.00 0.00 N ATOM 903 CA VAL A 60 4.391 5.787 -7.971 1.00 0.00 C ATOM 904 C VAL A 60 3.871 6.880 -8.932 1.00 0.00 C ATOM 905 O VAL A 60 4.592 7.822 -9.263 1.00 0.00 O ATOM 906 CB VAL A 60 3.681 5.948 -6.557 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.962 4.750 -5.610 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.068 7.291 -5.885 1.00 0.00 C ATOM 0 H VAL A 60 6.207 6.825 -7.822 1.00 0.00 H new ATOM 0 HA VAL A 60 4.148 4.801 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 60 2.607 5.956 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.454 4.911 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.594 3.831 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.035 4.666 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.567 7.373 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.147 7.326 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.762 8.119 -6.524 1.00 0.00 H new ATOM 918 N GLN A 61 2.616 6.726 -9.397 1.00 0.00 N ATOM 919 CA GLN A 61 1.831 7.835 -9.981 1.00 0.00 C ATOM 920 C GLN A 61 1.021 8.530 -8.886 1.00 0.00 C ATOM 921 O GLN A 61 1.003 8.120 -7.744 1.00 0.00 O ATOM 922 CB GLN A 61 0.861 7.394 -11.121 1.00 0.00 C ATOM 923 CG GLN A 61 1.499 7.310 -12.513 1.00 0.00 C ATOM 924 CD GLN A 61 0.507 7.318 -13.698 1.00 0.00 C ATOM 925 OE1 GLN A 61 0.791 6.765 -14.755 1.00 0.00 O ATOM 926 NE2 GLN A 61 -0.653 7.950 -13.544 1.00 0.00 N ATOM 0 H GLN A 61 2.119 5.836 -9.380 1.00 0.00 H new ATOM 0 HA GLN A 61 2.559 8.513 -10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.445 6.419 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.027 8.095 -11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.186 8.148 -12.630 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.095 6.399 -12.566 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.872 8.404 -12.658 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.323 7.980 -14.312 1.00 0.00 H new ATOM 935 N CYS A 62 0.430 9.643 -9.270 1.00 0.00 N ATOM 936 CA CYS A 62 -0.544 10.395 -8.475 1.00 0.00 C ATOM 937 C CYS A 62 -1.790 10.515 -9.321 1.00 0.00 C ATOM 938 O CYS A 62 -1.732 11.161 -10.345 1.00 0.00 O ATOM 939 CB CYS A 62 0.041 11.777 -8.158 1.00 0.00 C ATOM 940 SG CYS A 62 -1.134 13.148 -8.006 1.00 0.00 S ATOM 0 H CYS A 62 0.616 10.072 -10.177 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.777 9.903 -7.531 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.599 11.703 -7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.758 12.029 -8.939 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.483 14.267 -7.887 1.00 0.00 H new ATOM 945 N ILE A 63 -2.905 9.907 -8.909 1.00 0.00 N ATOM 946 CA ILE A 63 -4.084 9.748 -9.785 1.00 0.00 C ATOM 947 C ILE A 63 -4.935 11.038 -9.704 1.00 0.00 C ATOM 948 O ILE A 63 -6.008 11.084 -9.081 1.00 0.00 O ATOM 949 CB ILE A 63 -4.931 8.474 -9.412 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.026 7.309 -8.900 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.768 8.011 -10.628 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.778 6.114 -8.323 1.00 0.00 C ATOM 0 H ILE A 63 -3.023 9.514 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.747 9.594 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.604 8.750 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.403 6.963 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.354 7.700 -8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.348 7.130 -10.356 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.444 8.811 -10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.102 7.766 -11.456 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.064 5.359 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.379 6.438 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.429 5.690 -9.088 1.00 0.00 H new ATOM 964 N ASN A 64 -4.368 12.097 -10.296 1.00 0.00 N ATOM 965 CA ASN A 64 -4.901 13.466 -10.260 1.00 0.00 C ATOM 966 C ASN A 64 -4.190 14.282 -11.358 1.00 0.00 C ATOM 967 O ASN A 64 -4.825 14.760 -12.298 1.00 0.00 O ATOM 968 CB ASN A 64 -4.686 14.098 -8.847 1.00 0.00 C ATOM 969 CG ASN A 64 -5.301 15.495 -8.674 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.293 15.838 -9.311 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.731 16.301 -7.791 1.00 0.00 N ATOM 0 H ASN A 64 -3.501 12.023 -10.828 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.975 13.464 -10.447 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.112 13.432 -8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.616 14.159 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.116 17.231 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.907 15.991 -7.275 1.00 0.00 H new ATOM 978 N CYS A 65 -2.843 14.407 -11.240 1.00 0.00 N ATOM 979 CA CYS A 65 -1.992 15.003 -12.318 1.00 0.00 C ATOM 980 C CYS A 65 -1.352 13.886 -13.164 1.00 0.00 C ATOM 981 O CYS A 65 -0.822 14.135 -14.249 1.00 0.00 O ATOM 982 CB CYS A 65 -0.907 15.962 -11.750 1.00 0.00 C ATOM 983 SG CYS A 65 0.396 15.209 -10.711 1.00 0.00 S ATOM 0 H CYS A 65 -2.320 14.107 -10.417 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.639 15.605 -12.955 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.425 16.464 -12.589 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.408 16.732 -11.162 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.153 14.462 -9.799 1.00 0.00 H new ATOM 988 N GLU A 66 -1.399 12.654 -12.607 1.00 0.00 N ATOM 989 CA GLU A 66 -1.032 11.380 -13.275 1.00 0.00 C ATOM 990 C GLU A 66 0.412 11.369 -13.787 1.00 0.00 C ATOM 991 O GLU A 66 0.740 10.710 -14.779 1.00 0.00 O ATOM 992 CB GLU A 66 -2.088 11.000 -14.351 1.00 0.00 C ATOM 993 CG GLU A 66 -3.511 10.835 -13.759 1.00 0.00 C ATOM 994 CD GLU A 66 -4.543 10.272 -14.746 1.00 0.00 C ATOM 995 OE1 GLU A 66 -4.659 10.811 -15.858 1.00 0.00 O ATOM 996 OE2 GLU A 66 -5.259 9.310 -14.400 1.00 0.00 O ATOM 0 H GLU A 66 -1.705 12.513 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.053 10.590 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.107 11.769 -15.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.790 10.070 -14.835 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.457 10.176 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.858 11.805 -13.402 1.00 0.00 H new ATOM 1003 N LYS A 67 1.275 12.059 -13.029 1.00 0.00 N ATOM 1004 CA LYS A 67 2.719 12.094 -13.267 1.00 0.00 C ATOM 1005 C LYS A 67 3.409 11.092 -12.322 1.00 0.00 C ATOM 1006 O LYS A 67 2.876 10.770 -11.240 1.00 0.00 O ATOM 1007 CB LYS A 67 3.254 13.542 -13.049 1.00 0.00 C ATOM 1008 CG LYS A 67 4.791 13.699 -13.183 1.00 0.00 C ATOM 1009 CD LYS A 67 5.267 15.167 -13.145 1.00 0.00 C ATOM 1010 CE LYS A 67 4.805 15.973 -14.369 1.00 0.00 C ATOM 1011 NZ LYS A 67 5.256 17.388 -14.306 1.00 0.00 N ATOM 0 H LYS A 67 0.984 12.614 -12.224 1.00 0.00 H new ATOM 0 HA LYS A 67 2.938 11.808 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.772 14.204 -13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.955 13.878 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.276 13.147 -12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.114 13.245 -14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.892 15.643 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.355 15.190 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.192 15.509 -15.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.717 15.942 -14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.587 17.989 -14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.296 17.696 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.201 17.470 -14.732 1.00 0.00 H new ATOM 1025 N ILE A 68 4.580 10.603 -12.746 1.00 0.00 N ATOM 1026 CA ILE A 68 5.436 9.728 -11.945 1.00 0.00 C ATOM 1027 C ILE A 68 6.277 10.592 -10.991 1.00 0.00 C ATOM 1028 O ILE A 68 6.933 11.549 -11.415 1.00 0.00 O ATOM 1029 CB ILE A 68 6.391 8.871 -12.867 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.573 7.911 -13.787 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.448 8.085 -12.044 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.919 6.736 -13.071 1.00 0.00 C ATOM 0 H ILE A 68 4.963 10.808 -13.669 1.00 0.00 H new ATOM 0 HA ILE A 68 4.807 9.042 -11.378 1.00 0.00 H new ATOM 0 HB ILE A 68 6.933 9.572 -13.502 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.797 8.488 -14.290 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.235 7.523 -14.561 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.082 7.511 -12.720 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.062 8.785 -11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.943 7.407 -11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.374 6.128 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.687 6.129 -12.591 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.227 7.109 -12.316 1.00 0.00 H new ATOM 1044 N GLN A 69 6.204 10.270 -9.706 1.00 0.00 N ATOM 1045 CA GLN A 69 7.060 10.844 -8.670 1.00 0.00 C ATOM 1046 C GLN A 69 7.440 9.753 -7.675 1.00 0.00 C ATOM 1047 O GLN A 69 6.883 8.650 -7.700 1.00 0.00 O ATOM 1048 CB GLN A 69 6.400 12.063 -7.950 1.00 0.00 C ATOM 1049 CG GLN A 69 5.119 11.792 -7.129 1.00 0.00 C ATOM 1050 CD GLN A 69 3.883 11.572 -7.997 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.167 12.515 -8.339 1.00 0.00 O ATOM 1052 NE2 GLN A 69 3.611 10.333 -8.342 1.00 0.00 N ATOM 0 H GLN A 69 5.536 9.589 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 69 7.959 11.232 -9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.141 12.503 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.165 12.814 -8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.276 10.914 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.940 12.633 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.224 9.574 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.787 10.130 -8.909 1.00 0.00 H new ATOM 1061 N HIS A 70 8.387 10.079 -6.805 1.00 0.00 N ATOM 1062 CA HIS A 70 8.951 9.142 -5.828 1.00 0.00 C ATOM 1063 C HIS A 70 7.913 8.800 -4.745 1.00 0.00 C ATOM 1064 O HIS A 70 7.087 9.649 -4.391 1.00 0.00 O ATOM 1065 CB HIS A 70 10.227 9.771 -5.228 1.00 0.00 C ATOM 1066 CG HIS A 70 11.216 10.177 -6.291 1.00 0.00 C ATOM 1067 ND1 HIS A 70 11.348 11.474 -6.744 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.082 9.439 -7.028 1.00 0.00 C ATOM 1069 CE1 HIS A 70 12.243 11.510 -7.710 1.00 0.00 C ATOM 1070 NE2 HIS A 70 12.704 10.293 -7.898 1.00 0.00 N ATOM 0 H HIS A 70 8.794 11.013 -6.753 1.00 0.00 H new ATOM 0 HA HIS A 70 9.216 8.203 -6.314 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.955 10.644 -4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.697 9.059 -4.550 1.00 0.00 H new ATOM 0 HD1 HIS A 70 10.833 12.279 -6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.250 8.375 -6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.547 12.391 -8.256 1.00 0.00 H new ATOM 1079 N ALA A 71 7.941 7.546 -4.257 1.00 0.00 N ATOM 1080 CA ALA A 71 6.958 7.047 -3.280 1.00 0.00 C ATOM 1081 C ALA A 71 7.151 7.697 -1.902 1.00 0.00 C ATOM 1082 O ALA A 71 8.224 7.578 -1.292 1.00 0.00 O ATOM 1083 CB ALA A 71 7.041 5.531 -3.171 1.00 0.00 C ATOM 0 H ALA A 71 8.641 6.855 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 71 5.966 7.321 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.308 5.178 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.833 5.084 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.041 5.244 -2.846 1.00 0.00 H new ATOM 1089 N GLN A 72 6.093 8.369 -1.437 1.00 0.00 N ATOM 1090 CA GLN A 72 6.082 9.139 -0.181 1.00 0.00 C ATOM 1091 C GLN A 72 4.625 9.357 0.273 1.00 0.00 C ATOM 1092 O GLN A 72 3.734 8.615 -0.150 1.00 0.00 O ATOM 1093 CB GLN A 72 6.871 10.468 -0.389 1.00 0.00 C ATOM 1094 CG GLN A 72 6.484 11.261 -1.653 1.00 0.00 C ATOM 1095 CD GLN A 72 7.468 12.376 -2.021 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.663 12.298 -1.725 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.981 13.412 -2.681 1.00 0.00 N ATOM 0 H GLN A 72 5.201 8.396 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 72 6.582 8.594 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.718 11.104 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.936 10.238 -0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.405 10.570 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.496 11.698 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.988 13.449 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.598 14.175 -2.960 1.00 0.00 H new ATOM 1106 N GLN A 73 4.386 10.328 1.171 1.00 0.00 N ATOM 1107 CA GLN A 73 3.035 10.612 1.688 1.00 0.00 C ATOM 1108 C GLN A 73 2.246 11.504 0.705 1.00 0.00 C ATOM 1109 O GLN A 73 1.077 11.233 0.411 1.00 0.00 O ATOM 1110 CB GLN A 73 3.124 11.269 3.093 1.00 0.00 C ATOM 1111 CG GLN A 73 1.756 11.560 3.746 1.00 0.00 C ATOM 1112 CD GLN A 73 1.831 12.157 5.152 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.782 12.852 5.508 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.804 11.915 5.955 1.00 0.00 N ATOM 0 H GLN A 73 5.113 10.931 1.555 1.00 0.00 H new ATOM 0 HA GLN A 73 2.495 9.670 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.696 10.615 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.680 12.203 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.201 12.245 3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.186 10.632 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.030 11.335 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.788 12.309 6.896 1.00 0.00 H new ATOM 1123 N THR A 74 2.897 12.567 0.199 1.00 0.00 N ATOM 1124 CA THR A 74 2.274 13.543 -0.721 1.00 0.00 C ATOM 1125 C THR A 74 2.968 13.544 -2.094 1.00 0.00 C ATOM 1126 O THR A 74 4.094 13.098 -2.236 1.00 0.00 O ATOM 1127 CB THR A 74 2.313 14.990 -0.116 1.00 0.00 C ATOM 1128 OG1 THR A 74 3.643 15.294 0.347 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.305 15.159 1.040 1.00 0.00 C ATOM 0 H THR A 74 3.872 12.776 0.415 1.00 0.00 H new ATOM 0 HA THR A 74 1.236 13.239 -0.854 1.00 0.00 H new ATOM 0 HB THR A 74 2.030 15.685 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.660 16.199 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.365 16.175 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.296 14.970 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.541 14.451 1.835 1.00 0.00 H new ATOM 1137 N CYS A 75 2.252 14.044 -3.105 1.00 0.00 N ATOM 1138 CA CYS A 75 2.775 14.226 -4.475 1.00 0.00 C ATOM 1139 C CYS A 75 3.598 15.503 -4.557 1.00 0.00 C ATOM 1140 O CYS A 75 3.054 16.581 -4.390 1.00 0.00 O ATOM 1141 CB CYS A 75 1.591 14.297 -5.458 1.00 0.00 C ATOM 1142 SG CYS A 75 1.918 14.990 -7.117 1.00 0.00 S ATOM 0 H CYS A 75 1.281 14.339 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 75 3.417 13.384 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.198 13.288 -5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.803 14.890 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 75 2.478 14.084 -7.863 1.00 0.00 H new ATOM 1147 N GLU A 76 4.901 15.378 -4.844 1.00 0.00 N ATOM 1148 CA GLU A 76 5.824 16.535 -4.958 1.00 0.00 C ATOM 1149 C GLU A 76 5.417 17.516 -6.096 1.00 0.00 C ATOM 1150 O GLU A 76 5.896 18.652 -6.143 1.00 0.00 O ATOM 1151 CB GLU A 76 7.273 16.018 -5.169 1.00 0.00 C ATOM 1152 CG GLU A 76 7.464 15.163 -6.439 1.00 0.00 C ATOM 1153 CD GLU A 76 8.855 14.509 -6.537 1.00 0.00 C ATOM 1154 OE1 GLU A 76 9.038 13.377 -6.022 1.00 0.00 O ATOM 1155 OE2 GLU A 76 9.773 15.122 -7.119 1.00 0.00 O ATOM 0 H GLU A 76 5.352 14.477 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 76 5.765 17.102 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.948 16.873 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.566 15.428 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.703 14.383 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.303 15.789 -7.316 1.00 0.00 H new ATOM 1162 N GLU A 77 4.524 17.055 -7.001 1.00 0.00 N ATOM 1163 CA GLU A 77 4.006 17.853 -8.128 1.00 0.00 C ATOM 1164 C GLU A 77 2.788 18.731 -7.724 1.00 0.00 C ATOM 1165 O GLU A 77 2.713 19.893 -8.127 1.00 0.00 O ATOM 1166 CB GLU A 77 3.638 16.897 -9.303 1.00 0.00 C ATOM 1167 CG GLU A 77 3.146 17.592 -10.594 1.00 0.00 C ATOM 1168 CD GLU A 77 4.147 18.615 -11.171 1.00 0.00 C ATOM 1169 OE1 GLU A 77 5.296 18.225 -11.475 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.792 19.806 -11.312 1.00 0.00 O ATOM 0 H GLU A 77 4.141 16.110 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 77 4.788 18.543 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.513 16.294 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.863 16.211 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.941 16.833 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.203 18.098 -10.386 1.00 0.00 H new ATOM 1177 N CYS A 78 1.836 18.182 -6.920 1.00 0.00 N ATOM 1178 CA CYS A 78 0.552 18.891 -6.623 1.00 0.00 C ATOM 1179 C CYS A 78 -0.041 18.506 -5.243 1.00 0.00 C ATOM 1180 O CYS A 78 -1.263 18.557 -5.047 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.481 18.628 -7.756 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.285 16.990 -7.718 1.00 0.00 S ATOM 0 H CYS A 78 1.926 17.270 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 78 0.777 19.957 -6.579 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.254 19.395 -7.705 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.021 18.745 -8.716 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.559 16.669 -6.488 1.00 0.00 H new ATOM 1187 N SER A 79 0.849 18.142 -4.296 1.00 0.00 N ATOM 1188 CA SER A 79 0.522 17.863 -2.864 1.00 0.00 C ATOM 1189 C SER A 79 -0.558 16.769 -2.638 1.00 0.00 C ATOM 1190 O SER A 79 -1.082 16.653 -1.524 1.00 0.00 O ATOM 1191 CB SER A 79 0.138 19.186 -2.149 1.00 0.00 C ATOM 1192 OG SER A 79 1.179 20.147 -2.281 1.00 0.00 O ATOM 0 H SER A 79 1.842 18.029 -4.501 1.00 0.00 H new ATOM 0 HA SER A 79 1.427 17.444 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.785 19.581 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.054 18.993 -1.094 1.00 0.00 H new ATOM 0 HG SER A 79 0.919 20.975 -1.826 1.00 0.00 H new ATOM 1198 N THR A 80 -0.860 15.953 -3.679 1.00 0.00 N ATOM 1199 CA THR A 80 -1.871 14.874 -3.595 1.00 0.00 C ATOM 1200 C THR A 80 -1.488 13.838 -2.527 1.00 0.00 C ATOM 1201 O THR A 80 -0.483 13.128 -2.673 1.00 0.00 O ATOM 1202 CB THR A 80 -2.069 14.151 -4.971 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.366 15.121 -5.979 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.194 13.086 -4.937 1.00 0.00 C ATOM 0 H THR A 80 -0.412 16.025 -4.593 1.00 0.00 H new ATOM 0 HA THR A 80 -2.811 15.349 -3.315 1.00 0.00 H new ATOM 0 HB THR A 80 -1.139 13.630 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.768 14.991 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.284 12.620 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.953 12.325 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.138 13.563 -4.674 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.285 13.799 -1.456 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.129 12.846 -0.358 1.00 0.00 C ATOM 1214 C LEU A 81 -2.493 11.421 -0.847 1.00 0.00 C ATOM 1215 O LEU A 81 -3.662 11.133 -1.141 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.018 13.308 0.832 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.876 12.519 2.169 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.420 12.508 2.658 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.806 13.104 3.257 1.00 0.00 C ATOM 0 H LEU A 81 -3.068 14.439 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.094 12.813 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.798 14.357 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.060 13.256 0.517 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.176 11.489 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.354 11.950 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.788 12.034 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.084 13.532 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.688 12.536 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.545 14.147 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.842 13.042 2.922 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.462 10.563 -0.988 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.609 9.173 -1.485 1.00 0.00 C ATOM 1233 C PHE A 82 -2.380 8.288 -0.484 1.00 0.00 C ATOM 1234 O PHE A 82 -2.959 7.269 -0.860 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.218 8.549 -1.773 1.00 0.00 C ATOM 1236 CG PHE A 82 0.657 9.298 -2.784 1.00 0.00 C ATOM 1237 CD1 PHE A 82 0.100 10.023 -3.839 1.00 0.00 C ATOM 1238 CD2 PHE A 82 2.048 9.249 -2.689 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.904 10.670 -4.752 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.850 9.900 -3.600 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.280 10.609 -4.635 1.00 0.00 C ATOM 0 H PHE A 82 -0.499 10.812 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.184 9.218 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.328 8.477 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.366 7.531 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.974 10.077 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.505 8.690 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.457 11.227 -5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.925 9.855 -3.503 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.907 11.116 -5.353 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.342 8.693 0.788 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.059 8.025 1.863 1.00 0.00 C ATOM 1253 C GLY A 83 -2.764 8.695 3.187 1.00 0.00 C ATOM 1254 O GLY A 83 -1.644 9.187 3.388 1.00 0.00 O ATOM 0 H GLY A 83 -1.805 9.503 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.131 8.051 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.768 6.975 1.906 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.769 8.729 4.085 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.641 9.361 5.418 1.00 0.00 C ATOM 1260 C GLU A 84 -2.539 8.649 6.236 1.00 0.00 C ATOM 1261 O GLU A 84 -1.776 9.279 6.980 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.995 9.313 6.195 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.274 9.571 5.367 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.251 10.831 4.494 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.464 11.941 5.026 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.066 10.705 3.259 1.00 0.00 O ATOM 0 H GLU A 84 -4.688 8.322 3.910 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.367 10.406 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.084 8.333 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.954 10.049 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.450 8.708 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.121 9.639 6.050 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.474 7.322 6.055 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.496 6.448 6.704 1.00 0.00 C ATOM 1275 C TYR A 85 -0.402 6.102 5.667 1.00 0.00 C ATOM 1276 O TYR A 85 -0.697 5.556 4.595 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.227 5.180 7.227 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.508 4.430 8.355 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.496 3.506 8.092 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.860 4.643 9.691 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.125 2.827 9.115 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -1.235 3.965 10.714 1.00 0.00 C ATOM 1283 CZ TYR A 85 -0.245 3.060 10.421 1.00 0.00 C ATOM 1284 OH TYR A 85 0.369 2.368 11.437 1.00 0.00 O ATOM 0 H TYR A 85 -3.114 6.820 5.440 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.023 6.933 7.557 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.217 5.470 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.374 4.494 6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.196 3.321 7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.638 5.354 9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.903 2.111 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.522 4.144 11.740 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.006 2.650 12.298 1.00 0.00 H new ATOM 1294 N TYR A 86 0.852 6.434 5.997 1.00 0.00 N ATOM 1295 CA TYR A 86 2.013 6.326 5.082 1.00 0.00 C ATOM 1296 C TYR A 86 3.079 5.398 5.690 1.00 0.00 C ATOM 1297 O TYR A 86 3.275 5.396 6.914 1.00 0.00 O ATOM 1298 CB TYR A 86 2.600 7.742 4.799 1.00 0.00 C ATOM 1299 CG TYR A 86 3.088 8.516 6.049 1.00 0.00 C ATOM 1300 CD1 TYR A 86 2.174 9.076 6.949 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.451 8.672 6.330 1.00 0.00 C ATOM 1302 CE1 TYR A 86 2.595 9.759 8.070 1.00 0.00 C ATOM 1303 CE2 TYR A 86 4.874 9.357 7.456 1.00 0.00 C ATOM 1304 CZ TYR A 86 3.943 9.897 8.323 1.00 0.00 C ATOM 1305 OH TYR A 86 4.362 10.583 9.443 1.00 0.00 O ATOM 0 H TYR A 86 1.101 6.791 6.919 1.00 0.00 H new ATOM 0 HA TYR A 86 1.687 5.895 4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.435 7.640 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.839 8.339 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.116 8.971 6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.184 8.251 5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.871 10.185 8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.929 9.469 7.657 1.00 0.00 H new ATOM 0 HH TYR A 86 5.341 10.589 9.476 1.00 0.00 H new ATOM 1315 N CYS A 87 3.774 4.619 4.833 1.00 0.00 N ATOM 1316 CA CYS A 87 4.741 3.600 5.290 1.00 0.00 C ATOM 1317 C CYS A 87 5.540 3.045 4.101 1.00 0.00 C ATOM 1318 O CYS A 87 4.952 2.425 3.212 1.00 0.00 O ATOM 1319 CB CYS A 87 3.972 2.455 5.989 1.00 0.00 C ATOM 1320 SG CYS A 87 4.981 1.246 6.907 1.00 0.00 S ATOM 0 H CYS A 87 3.682 4.678 3.819 1.00 0.00 H new ATOM 0 HA CYS A 87 5.441 4.057 5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.255 2.897 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.398 1.918 5.234 1.00 0.00 H new ATOM 0 HG CYS A 87 4.602 0.041 6.598 1.00 0.00 H new ATOM 1325 N ASP A 88 6.873 3.267 4.089 1.00 0.00 N ATOM 1326 CA ASP A 88 7.771 2.733 3.035 1.00 0.00 C ATOM 1327 C ASP A 88 8.309 1.338 3.428 1.00 0.00 C ATOM 1328 O ASP A 88 8.735 0.576 2.554 1.00 0.00 O ATOM 1329 CB ASP A 88 8.930 3.729 2.739 1.00 0.00 C ATOM 1330 CG ASP A 88 9.846 3.289 1.564 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.403 3.346 0.394 1.00 0.00 O ATOM 1332 OD2 ASP A 88 11.004 2.876 1.809 1.00 0.00 O ATOM 0 H ASP A 88 7.355 3.815 4.801 1.00 0.00 H new ATOM 0 HA ASP A 88 7.193 2.618 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.507 4.708 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.536 3.845 3.637 1.00 0.00 H new ATOM 1337 N ILE A 89 8.242 0.997 4.746 1.00 0.00 N ATOM 1338 CA ILE A 89 8.605 -0.354 5.262 1.00 0.00 C ATOM 1339 C ILE A 89 7.741 -1.439 4.580 1.00 0.00 C ATOM 1340 O ILE A 89 8.242 -2.479 4.154 1.00 0.00 O ATOM 1341 CB ILE A 89 8.437 -0.446 6.836 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.412 0.545 7.551 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.641 -1.897 7.363 1.00 0.00 C ATOM 1344 CD1 ILE A 89 9.335 0.555 9.074 1.00 0.00 C ATOM 0 H ILE A 89 7.938 1.644 5.474 1.00 0.00 H new ATOM 0 HA ILE A 89 9.655 -0.523 5.025 1.00 0.00 H new ATOM 0 HB ILE A 89 7.412 -0.160 7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.433 0.299 7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.210 1.552 7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.517 -1.912 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.905 -2.558 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.644 -2.239 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.051 1.275 9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.329 0.835 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.570 -0.438 9.457 1.00 0.00 H new ATOM 1356 N CYS A 90 6.437 -1.157 4.495 1.00 0.00 N ATOM 1357 CA CYS A 90 5.467 -1.999 3.763 1.00 0.00 C ATOM 1358 C CYS A 90 5.373 -1.557 2.294 1.00 0.00 C ATOM 1359 O CYS A 90 5.009 -2.351 1.420 1.00 0.00 O ATOM 1360 CB CYS A 90 4.092 -1.874 4.421 1.00 0.00 C ATOM 1361 SG CYS A 90 4.072 -2.301 6.173 1.00 0.00 S ATOM 0 H CYS A 90 6.016 -0.337 4.931 1.00 0.00 H new ATOM 0 HA CYS A 90 5.803 -3.035 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.737 -0.850 4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.389 -2.518 3.893 1.00 0.00 H new ATOM 0 HG CYS A 90 4.873 -3.303 6.385 1.00 0.00 H new ATOM 1366 N HIS A 91 5.693 -0.265 2.076 1.00 0.00 N ATOM 1367 CA HIS A 91 5.586 0.431 0.785 1.00 0.00 C ATOM 1368 C HIS A 91 4.123 0.431 0.304 1.00 0.00 C ATOM 1369 O HIS A 91 3.789 0.000 -0.809 1.00 0.00 O ATOM 1370 CB HIS A 91 6.580 -0.141 -0.257 1.00 0.00 C ATOM 1371 CG HIS A 91 6.870 0.795 -1.400 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.997 1.575 -1.448 1.00 0.00 N ATOM 1373 CD2 HIS A 91 6.170 1.092 -2.522 1.00 0.00 C ATOM 1374 CE1 HIS A 91 7.979 2.305 -2.534 1.00 0.00 C ATOM 1375 NE2 HIS A 91 6.880 2.035 -3.210 1.00 0.00 N ATOM 0 H HIS A 91 6.044 0.339 2.820 1.00 0.00 H new ATOM 0 HA HIS A 91 5.878 1.473 0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.516 -0.387 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.178 -1.072 -0.656 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.736 1.585 -0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 91 5.224 0.662 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.740 3.013 -2.828 1.00 0.00 H new ATOM 1384 N LEU A 92 3.250 0.901 1.201 1.00 0.00 N ATOM 1385 CA LEU A 92 1.824 1.094 0.931 1.00 0.00 C ATOM 1386 C LEU A 92 1.417 2.450 1.489 1.00 0.00 C ATOM 1387 O LEU A 92 1.884 2.847 2.574 1.00 0.00 O ATOM 1388 CB LEU A 92 0.975 -0.062 1.550 1.00 0.00 C ATOM 1389 CG LEU A 92 0.857 -0.140 3.124 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.338 0.690 3.691 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.760 -1.604 3.594 1.00 0.00 C ATOM 0 H LEU A 92 3.520 1.162 2.149 1.00 0.00 H new ATOM 0 HA LEU A 92 1.639 1.072 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.034 0.011 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.392 -1.006 1.200 1.00 0.00 H new ATOM 0 HG LEU A 92 1.769 0.307 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.364 0.595 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.213 1.739 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.272 0.316 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.680 -1.633 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.121 -2.070 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.652 -2.146 3.282 1.00 0.00 H new ATOM 1403 N PHE A 93 0.584 3.180 0.741 1.00 0.00 N ATOM 1404 CA PHE A 93 0.015 4.460 1.188 1.00 0.00 C ATOM 1405 C PHE A 93 -1.497 4.331 1.048 1.00 0.00 C ATOM 1406 O PHE A 93 -2.015 4.253 -0.061 1.00 0.00 O ATOM 1407 CB PHE A 93 0.587 5.640 0.349 1.00 0.00 C ATOM 1408 CG PHE A 93 2.100 5.544 0.137 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.976 5.439 1.228 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.641 5.498 -1.146 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.333 5.301 1.036 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.996 5.357 -1.336 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.847 5.261 -0.244 1.00 0.00 C ATOM 0 H PHE A 93 0.283 2.902 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 93 0.278 4.678 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.090 5.663 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.355 6.580 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.581 5.467 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.988 5.574 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.994 5.224 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.399 5.321 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.911 5.155 -0.396 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.182 4.285 2.179 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.601 3.913 2.265 1.00 0.00 C ATOM 1425 C ASP A 94 -4.227 4.749 3.375 1.00 0.00 C ATOM 1426 O ASP A 94 -3.557 5.035 4.368 1.00 0.00 O ATOM 1427 CB ASP A 94 -3.705 2.385 2.553 1.00 0.00 C ATOM 1428 CG ASP A 94 -5.130 1.862 2.802 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -5.986 1.989 1.907 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.391 1.303 3.888 1.00 0.00 O ATOM 0 H ASP A 94 -1.768 4.508 3.084 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.133 4.108 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.278 1.842 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.092 2.153 3.424 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.485 5.175 3.195 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.170 6.017 4.187 1.00 0.00 C ATOM 1437 C LYS A 95 -6.372 5.235 5.497 1.00 0.00 C ATOM 1438 O LYS A 95 -6.619 4.022 5.469 1.00 0.00 O ATOM 1439 CB LYS A 95 -7.527 6.519 3.653 1.00 0.00 C ATOM 1440 CG LYS A 95 -7.474 7.300 2.317 1.00 0.00 C ATOM 1441 CD LYS A 95 -8.888 7.740 1.847 1.00 0.00 C ATOM 1442 CE LYS A 95 -9.440 8.950 2.622 1.00 0.00 C ATOM 1443 NZ LYS A 95 -8.752 10.214 2.244 1.00 0.00 N ATOM 0 H LYS A 95 -6.048 4.951 2.374 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.542 6.886 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.187 5.661 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.980 7.159 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.841 8.179 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.014 6.677 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.850 7.984 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.577 6.902 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.508 9.047 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.323 8.779 3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.187 11.011 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.745 10.151 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.842 10.365 1.219 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.276 5.933 6.637 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.366 5.302 7.955 1.00 0.00 C ATOM 1459 C ASP A 96 -7.837 5.122 8.327 1.00 0.00 C ATOM 1460 O ASP A 96 -8.565 6.098 8.526 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.643 6.147 9.039 1.00 0.00 C ATOM 1462 CG ASP A 96 -5.823 5.570 10.466 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.134 4.590 10.812 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.682 6.072 11.234 1.00 0.00 O ATOM 0 H ASP A 96 -6.135 6.943 6.669 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.873 4.331 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.580 6.199 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.025 7.167 9.013 1.00 0.00 H new ATOM 1469 N LYS A 97 -8.275 3.866 8.366 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.544 3.479 8.976 1.00 0.00 C ATOM 1471 C LYS A 97 -9.196 2.551 10.138 1.00 0.00 C ATOM 1472 O LYS A 97 -9.209 1.316 9.997 1.00 0.00 O ATOM 1473 CB LYS A 97 -10.516 2.809 7.953 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.958 3.706 6.757 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.950 3.730 5.587 1.00 0.00 C ATOM 1476 CE LYS A 97 -10.459 4.548 4.394 1.00 0.00 C ATOM 1477 NZ LYS A 97 -11.694 3.974 3.803 1.00 0.00 N ATOM 0 H LYS A 97 -7.755 3.082 7.972 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.084 4.357 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.036 1.915 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.408 2.481 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.921 3.353 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.108 4.724 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.005 4.148 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.748 2.709 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.654 5.571 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.682 4.596 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.896 4.443 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.561 2.955 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.491 4.121 4.454 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.734 3.195 11.240 1.00 0.00 N ATOM 1492 CA LYS A 98 -8.435 2.545 12.533 1.00 0.00 C ATOM 1493 C LYS A 98 -7.207 1.603 12.472 1.00 0.00 C ATOM 1494 O LYS A 98 -6.966 0.847 13.422 1.00 0.00 O ATOM 1495 CB LYS A 98 -9.690 1.781 13.064 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.958 2.648 13.268 1.00 0.00 C ATOM 1497 CD LYS A 98 -10.746 3.812 14.264 1.00 0.00 C ATOM 1498 CE LYS A 98 -12.002 4.684 14.430 1.00 0.00 C ATOM 1499 NZ LYS A 98 -11.801 5.777 15.423 1.00 0.00 N ATOM 0 H LYS A 98 -8.557 4.199 11.250 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.177 3.342 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.928 0.978 12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.434 1.312 14.014 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.271 3.054 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.770 2.015 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.458 3.407 15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.919 4.434 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.272 5.116 13.466 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.837 4.059 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.673 6.339 15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.569 5.366 16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.021 6.390 15.111 1.00 0.00 H new ATOM 1513 N GLN A 99 -6.399 1.702 11.391 1.00 0.00 N ATOM 1514 CA GLN A 99 -5.345 0.706 11.090 1.00 0.00 C ATOM 1515 C GLN A 99 -4.071 0.960 11.921 1.00 0.00 C ATOM 1516 O GLN A 99 -3.890 2.046 12.483 1.00 0.00 O ATOM 1517 CB GLN A 99 -5.020 0.681 9.570 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.226 1.878 9.017 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.818 1.694 7.546 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.770 1.112 7.249 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -4.615 2.213 6.624 1.00 0.00 N ATOM 0 H GLN A 99 -6.457 2.462 10.713 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.731 -0.274 11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.459 -0.229 9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.959 0.612 9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.827 2.782 9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.331 2.025 9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.474 2.688 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.370 2.138 5.637 1.00 0.00 H new ATOM 1530 N TYR A 100 -3.180 -0.052 11.975 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.946 0.000 12.790 1.00 0.00 C ATOM 1532 C TYR A 100 -0.834 -0.852 12.147 1.00 0.00 C ATOM 1533 O TYR A 100 -1.115 -1.892 11.525 1.00 0.00 O ATOM 1534 CB TYR A 100 -2.234 -0.502 14.235 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.519 -2.023 14.366 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.660 -2.615 13.796 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.633 -2.870 15.048 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.896 -3.973 13.907 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.872 -4.223 15.154 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.002 -4.769 14.586 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.225 -6.125 14.699 1.00 0.00 O ATOM 0 H TYR A 100 -3.294 -0.924 11.458 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.608 1.035 12.835 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.380 -0.254 14.865 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.090 0.046 14.628 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.366 -1.997 13.261 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.745 -2.453 15.499 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.779 -4.408 13.462 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.174 -4.855 15.682 1.00 0.00 H new ATOM 0 HH TYR A 100 -4.090 -6.349 14.296 1.00 0.00 H new ATOM 1551 N HIS A 101 0.426 -0.398 12.278 1.00 0.00 N ATOM 1552 CA HIS A 101 1.615 -1.160 11.844 1.00 0.00 C ATOM 1553 C HIS A 101 2.056 -2.144 12.937 1.00 0.00 C ATOM 1554 O HIS A 101 2.603 -1.750 13.975 1.00 0.00 O ATOM 1555 CB HIS A 101 2.768 -0.201 11.369 1.00 0.00 C ATOM 1556 CG HIS A 101 4.049 -0.905 10.924 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.362 -1.280 9.588 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.062 -1.340 11.726 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.509 -1.918 9.690 1.00 0.00 C ATOM 1560 NE2 HIS A 101 5.966 -1.975 10.939 1.00 0.00 N ATOM 0 H HIS A 101 0.650 0.509 12.688 1.00 0.00 H new ATOM 0 HA HIS A 101 1.349 -1.759 10.973 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.398 0.406 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.010 0.483 12.183 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.132 -1.204 12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.026 -2.351 8.847 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.834 -2.414 11.247 1.00 0.00 H new ATOM 1568 N CYS A 102 1.767 -3.429 12.688 1.00 0.00 N ATOM 1569 CA CYS A 102 2.262 -4.545 13.490 1.00 0.00 C ATOM 1570 C CYS A 102 3.755 -4.751 13.164 1.00 0.00 C ATOM 1571 O CYS A 102 4.087 -5.118 12.032 1.00 0.00 O ATOM 1572 CB CYS A 102 1.452 -5.821 13.171 1.00 0.00 C ATOM 1573 SG CYS A 102 1.726 -7.193 14.334 1.00 0.00 S ATOM 0 H CYS A 102 1.174 -3.721 11.911 1.00 0.00 H new ATOM 0 HA CYS A 102 2.147 -4.330 14.552 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.391 -5.572 13.165 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.706 -6.156 12.165 1.00 0.00 H new ATOM 0 HG CYS A 102 2.759 -7.884 13.954 1.00 0.00 H new ATOM 1578 N GLU A 103 4.631 -4.474 14.146 1.00 0.00 N ATOM 1579 CA GLU A 103 6.102 -4.458 13.970 1.00 0.00 C ATOM 1580 C GLU A 103 6.667 -5.852 13.631 1.00 0.00 C ATOM 1581 O GLU A 103 7.531 -5.981 12.759 1.00 0.00 O ATOM 1582 CB GLU A 103 6.769 -3.916 15.256 1.00 0.00 C ATOM 1583 CG GLU A 103 6.332 -2.490 15.650 1.00 0.00 C ATOM 1584 CD GLU A 103 6.877 -2.069 17.025 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.004 -1.537 17.101 1.00 0.00 O ATOM 1586 OE2 GLU A 103 6.184 -2.286 18.040 1.00 0.00 O ATOM 0 H GLU A 103 4.338 -4.252 15.097 1.00 0.00 H new ATOM 0 HA GLU A 103 6.328 -3.806 13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.543 -4.593 16.080 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.851 -3.927 15.122 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.678 -1.785 14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.243 -2.437 15.662 1.00 0.00 H new ATOM 1593 N ASN A 104 6.161 -6.883 14.330 1.00 0.00 N ATOM 1594 CA ASN A 104 6.613 -8.290 14.156 1.00 0.00 C ATOM 1595 C ASN A 104 6.310 -8.833 12.740 1.00 0.00 C ATOM 1596 O ASN A 104 7.147 -9.502 12.131 1.00 0.00 O ATOM 1597 CB ASN A 104 5.980 -9.207 15.233 1.00 0.00 C ATOM 1598 CG ASN A 104 4.489 -8.948 15.419 1.00 0.00 C ATOM 1599 OD1 ASN A 104 3.663 -9.344 14.598 1.00 0.00 O ATOM 1600 ND2 ASN A 104 4.136 -8.274 16.500 1.00 0.00 N ATOM 0 H ASN A 104 5.429 -6.773 15.032 1.00 0.00 H new ATOM 0 HA ASN A 104 7.696 -8.293 14.280 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.132 -10.249 14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.493 -9.054 16.182 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.152 -8.068 16.674 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.847 -7.960 17.160 1.00 0.00 H new ATOM 1607 N CYS A 105 5.102 -8.538 12.236 1.00 0.00 N ATOM 1608 CA CYS A 105 4.671 -8.932 10.876 1.00 0.00 C ATOM 1609 C CYS A 105 5.210 -7.953 9.817 1.00 0.00 C ATOM 1610 O CYS A 105 5.289 -8.288 8.632 1.00 0.00 O ATOM 1611 CB CYS A 105 3.134 -9.006 10.824 1.00 0.00 C ATOM 1612 SG CYS A 105 2.434 -10.182 12.016 1.00 0.00 S ATOM 0 H CYS A 105 4.393 -8.020 12.755 1.00 0.00 H new ATOM 0 HA CYS A 105 5.082 -9.916 10.649 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.722 -8.015 11.016 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.824 -9.290 9.818 1.00 0.00 H new ATOM 0 HG CYS A 105 2.892 -9.920 13.204 1.00 0.00 H new ATOM 1617 N GLY A 106 5.541 -6.733 10.270 1.00 0.00 N ATOM 1618 CA GLY A 106 6.170 -5.716 9.421 1.00 0.00 C ATOM 1619 C GLY A 106 5.201 -5.079 8.432 1.00 0.00 C ATOM 1620 O GLY A 106 5.623 -4.518 7.415 1.00 0.00 O ATOM 0 H GLY A 106 5.380 -6.428 11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.598 -4.938 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.995 -6.170 8.871 1.00 0.00 H new ATOM 1624 N ILE A 107 3.883 -5.135 8.746 1.00 0.00 N ATOM 1625 CA ILE A 107 2.807 -4.651 7.853 1.00 0.00 C ATOM 1626 C ILE A 107 1.778 -3.789 8.611 1.00 0.00 C ATOM 1627 O ILE A 107 1.670 -3.862 9.840 1.00 0.00 O ATOM 1628 CB ILE A 107 2.047 -5.823 7.122 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.444 -6.824 8.165 1.00 0.00 C ATOM 1630 CG2 ILE A 107 2.966 -6.545 6.096 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.542 -7.887 7.570 1.00 0.00 C ATOM 0 H ILE A 107 3.539 -5.518 9.627 1.00 0.00 H new ATOM 0 HA ILE A 107 3.310 -4.042 7.101 1.00 0.00 H new ATOM 0 HB ILE A 107 1.221 -5.391 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.262 -7.314 8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.878 -6.259 8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.410 -7.347 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.304 -5.831 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.830 -6.963 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.170 -8.535 8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.299 -7.410 7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.106 -8.481 6.851 1.00 0.00 H new ATOM 1643 N CYS A 108 1.031 -2.973 7.839 1.00 0.00 N ATOM 1644 CA CYS A 108 -0.125 -2.187 8.328 1.00 0.00 C ATOM 1645 C CYS A 108 -1.212 -2.101 7.267 1.00 0.00 C ATOM 1646 O CYS A 108 -0.951 -1.637 6.166 1.00 0.00 O ATOM 1647 CB CYS A 108 0.294 -0.762 8.721 1.00 0.00 C ATOM 1648 SG CYS A 108 1.413 0.049 7.570 1.00 0.00 S ATOM 0 H CYS A 108 1.215 -2.838 6.845 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.511 -2.703 9.207 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.603 -0.151 8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.769 -0.797 9.702 1.00 0.00 H new ATOM 0 HG CYS A 108 2.289 -0.809 7.139 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.426 -2.516 7.635 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.639 -2.394 6.789 1.00 0.00 C ATOM 1655 C ARG A 109 -4.875 -2.292 7.683 1.00 0.00 C ATOM 1656 O ARG A 109 -4.768 -2.421 8.913 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.807 -3.567 5.768 1.00 0.00 C ATOM 1658 CG ARG A 109 -2.936 -3.488 4.491 1.00 0.00 C ATOM 1659 CD ARG A 109 -3.045 -2.136 3.724 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.411 -1.566 3.615 1.00 0.00 N ATOM 1661 CZ ARG A 109 -5.400 -2.004 2.817 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -5.350 -3.200 2.237 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -6.467 -1.239 2.632 1.00 0.00 N ATOM 0 H ARG A 109 -2.608 -2.953 8.538 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.522 -1.488 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.581 -4.502 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.854 -3.613 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.894 -3.654 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.222 -4.298 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.405 -1.406 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.649 -2.277 2.718 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.620 -0.761 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.547 -3.809 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.114 -3.508 1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.530 -0.331 3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.225 -1.558 2.029 1.00 0.00 H new ATOM 1677 N ILE A 110 -6.049 -2.096 7.037 1.00 0.00 N ATOM 1678 CA ILE A 110 -7.324 -1.783 7.713 1.00 0.00 C ATOM 1679 C ILE A 110 -7.688 -2.879 8.744 1.00 0.00 C ATOM 1680 O ILE A 110 -8.055 -4.002 8.377 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.489 -1.570 6.664 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -8.066 -0.519 5.581 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.817 -1.150 7.354 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.703 0.853 6.131 1.00 0.00 C ATOM 0 H ILE A 110 -6.135 -2.152 6.022 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.195 -0.846 8.255 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.669 -2.525 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.212 -0.911 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.882 -0.405 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.592 -1.014 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.125 -1.927 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.667 -0.215 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.424 1.512 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.560 1.272 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.864 0.758 6.821 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.537 -2.520 10.027 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.655 -3.435 11.150 1.00 0.00 C ATOM 1698 C GLY A 111 -7.729 -2.617 12.411 1.00 0.00 C ATOM 1699 O GLY A 111 -6.736 -1.966 12.745 1.00 0.00 O ATOM 0 H GLY A 111 -7.325 -1.563 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.546 -4.054 11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.800 -4.110 11.183 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.889 -2.592 13.133 1.00 0.00 N ATOM 1704 CA PRO A 112 -9.080 -1.655 14.239 1.00 0.00 C ATOM 1705 C PRO A 112 -8.216 -2.060 15.431 1.00 0.00 C ATOM 1706 O PRO A 112 -8.488 -3.056 16.078 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.592 -1.733 14.533 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.988 -3.118 14.120 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.051 -3.519 12.988 1.00 0.00 C ATOM 0 HA PRO A 112 -8.777 -0.633 14.010 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.800 -1.560 15.589 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -11.144 -0.979 13.972 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.903 -3.811 14.957 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -12.027 -3.142 13.790 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.743 -4.561 13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.530 -3.409 12.015 1.00 0.00 H new ATOM 1717 N LYS A 113 -7.163 -1.277 15.689 1.00 0.00 N ATOM 1718 CA LYS A 113 -6.145 -1.580 16.711 1.00 0.00 C ATOM 1719 C LYS A 113 -6.759 -1.757 18.128 1.00 0.00 C ATOM 1720 O LYS A 113 -6.199 -2.458 18.978 1.00 0.00 O ATOM 1721 CB LYS A 113 -5.076 -0.465 16.682 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.644 0.974 16.779 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.623 2.062 16.367 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.332 2.005 17.193 1.00 0.00 C ATOM 1725 NZ LYS A 113 -2.424 3.155 16.902 1.00 0.00 N ATOM 0 H LYS A 113 -6.988 -0.404 15.191 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.681 -2.538 16.476 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.381 -0.624 17.507 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.502 -0.554 15.760 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.526 1.053 16.143 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.971 1.160 17.802 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.379 1.945 15.311 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.080 3.045 16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.582 2.001 18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.810 1.071 16.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.565 3.075 17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.163 3.145 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.911 4.047 17.125 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.915 -1.111 18.349 1.00 0.00 N ATOM 1740 CA GLU A 114 -8.745 -1.278 19.558 1.00 0.00 C ATOM 1741 C GLU A 114 -9.350 -2.706 19.663 1.00 0.00 C ATOM 1742 O GLU A 114 -9.416 -3.276 20.753 1.00 0.00 O ATOM 1743 CB GLU A 114 -9.878 -0.203 19.595 1.00 0.00 C ATOM 1744 CG GLU A 114 -10.703 -0.032 18.281 1.00 0.00 C ATOM 1745 CD GLU A 114 -10.203 1.118 17.375 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -9.306 0.895 16.536 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.698 2.256 17.519 1.00 0.00 O ATOM 0 H GLU A 114 -8.308 -0.446 17.683 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.092 -1.139 20.419 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.566 -0.456 20.402 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.431 0.759 19.847 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.671 -0.965 17.719 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.746 0.149 18.539 1.00 0.00 H new ATOM 1754 N ASP A 115 -9.789 -3.258 18.527 1.00 0.00 N ATOM 1755 CA ASP A 115 -10.455 -4.589 18.457 1.00 0.00 C ATOM 1756 C ASP A 115 -9.536 -5.681 17.869 1.00 0.00 C ATOM 1757 O ASP A 115 -9.952 -6.838 17.759 1.00 0.00 O ATOM 1758 CB ASP A 115 -11.740 -4.485 17.589 1.00 0.00 C ATOM 1759 CG ASP A 115 -12.787 -3.512 18.160 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -13.425 -3.847 19.178 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -12.983 -2.415 17.592 1.00 0.00 O ATOM 0 H ASP A 115 -9.698 -2.802 17.619 1.00 0.00 H new ATOM 0 HA ASP A 115 -10.702 -4.878 19.479 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.466 -4.163 16.584 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -12.187 -5.475 17.496 1.00 0.00 H new ATOM 1766 N PHE A 116 -8.296 -5.323 17.508 1.00 0.00 N ATOM 1767 CA PHE A 116 -7.399 -6.205 16.736 1.00 0.00 C ATOM 1768 C PHE A 116 -5.945 -5.932 17.165 1.00 0.00 C ATOM 1769 O PHE A 116 -5.457 -4.803 17.063 1.00 0.00 O ATOM 1770 CB PHE A 116 -7.625 -5.942 15.210 1.00 0.00 C ATOM 1771 CG PHE A 116 -7.147 -7.047 14.268 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -7.767 -8.297 14.279 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -6.097 -6.846 13.372 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.356 -9.304 13.426 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -5.688 -7.852 12.519 1.00 0.00 C ATOM 1776 CZ PHE A 116 -6.316 -9.083 12.547 1.00 0.00 C ATOM 0 H PHE A 116 -7.885 -4.419 17.740 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.613 -7.256 16.930 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.690 -5.782 15.042 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -7.117 -5.016 14.941 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.581 -8.481 14.965 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.596 -5.889 13.345 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.849 -10.264 13.448 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.876 -7.677 11.829 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.993 -9.870 11.882 1.00 0.00 H new ATOM 1786 N PHE A 117 -5.272 -6.977 17.653 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.910 -6.903 18.226 1.00 0.00 C ATOM 1788 C PHE A 117 -3.075 -8.066 17.655 1.00 0.00 C ATOM 1789 O PHE A 117 -3.599 -8.894 16.909 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.989 -6.992 19.786 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.311 -8.393 20.322 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.527 -9.007 20.036 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.377 -9.110 21.067 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.794 -10.285 20.467 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.653 -10.386 21.506 1.00 0.00 C ATOM 1796 CZ PHE A 117 -4.860 -10.976 21.199 1.00 0.00 C ATOM 0 H PHE A 117 -5.659 -7.921 17.665 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.438 -5.956 17.963 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.038 -6.665 20.206 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.750 -6.296 20.140 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.272 -8.471 19.467 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.424 -8.659 21.303 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.741 -10.747 20.229 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -2.923 -10.925 22.091 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.071 -11.981 21.534 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.781 -8.144 18.007 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.956 -9.332 17.699 1.00 0.00 C ATOM 1808 C HIS A 118 -0.737 -10.158 18.979 1.00 0.00 C ATOM 1809 O HIS A 118 -0.163 -9.659 19.957 1.00 0.00 O ATOM 1810 CB HIS A 118 0.405 -8.943 17.061 1.00 0.00 C ATOM 1811 CG HIS A 118 1.205 -10.145 16.583 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.092 -10.609 15.283 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.040 -10.958 17.281 1.00 0.00 C ATOM 1814 CE1 HIS A 118 1.842 -11.708 15.260 1.00 0.00 C ATOM 1815 NE2 HIS A 118 2.423 -11.946 16.435 1.00 0.00 N ATOM 0 H HIS A 118 -1.283 -7.405 18.502 1.00 0.00 H new ATOM 0 HA HIS A 118 -1.493 -9.934 16.966 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.227 -8.274 16.219 1.00 0.00 H new ATOM 0 HB3 HIS A 118 0.995 -8.387 17.790 1.00 0.00 H new ATOM 0 HD1 HIS A 118 0.556 -10.201 14.517 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.341 -10.840 18.312 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.965 -12.335 14.389 1.00 0.00 H new ATOM 1823 N CYS A 119 -1.206 -11.417 18.960 1.00 0.00 N ATOM 1824 CA CYS A 119 -0.958 -12.383 20.043 1.00 0.00 C ATOM 1825 C CYS A 119 0.494 -12.874 19.940 1.00 0.00 C ATOM 1826 O CYS A 119 0.839 -13.554 18.969 1.00 0.00 O ATOM 1827 CB CYS A 119 -1.955 -13.555 19.937 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.768 -14.830 21.217 1.00 0.00 S ATOM 0 H CYS A 119 -1.766 -11.793 18.195 1.00 0.00 H new ATOM 0 HA CYS A 119 -1.103 -11.911 21.015 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -2.969 -13.157 19.985 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -1.842 -14.022 18.959 1.00 0.00 H new ATOM 0 HG CYS A 119 -1.651 -15.996 20.654 1.00 0.00 H new ATOM 1833 N LEU A 120 1.338 -12.491 20.929 1.00 0.00 N ATOM 1834 CA LEU A 120 2.808 -12.700 20.890 1.00 0.00 C ATOM 1835 C LEU A 120 3.171 -14.189 20.724 1.00 0.00 C ATOM 1836 O LEU A 120 4.054 -14.537 19.929 1.00 0.00 O ATOM 1837 CB LEU A 120 3.476 -12.117 22.168 1.00 0.00 C ATOM 1838 CG LEU A 120 3.204 -10.603 22.458 1.00 0.00 C ATOM 1839 CD1 LEU A 120 3.924 -10.141 23.749 1.00 0.00 C ATOM 1840 CD2 LEU A 120 3.591 -9.713 21.250 1.00 0.00 C ATOM 0 H LEU A 120 1.018 -12.027 21.779 1.00 0.00 H new ATOM 0 HA LEU A 120 3.191 -12.169 20.018 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.138 -12.697 23.027 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.553 -12.263 22.089 1.00 0.00 H new ATOM 0 HG LEU A 120 2.132 -10.489 22.616 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.716 -9.085 23.924 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.565 -10.727 24.595 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.999 -10.285 23.638 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.388 -8.669 21.488 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.652 -9.836 21.032 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.005 -10.007 20.379 1.00 0.00 H new ATOM 1852 N LYS A 121 2.463 -15.064 21.467 1.00 0.00 N ATOM 1853 CA LYS A 121 2.577 -16.527 21.306 1.00 0.00 C ATOM 1854 C LYS A 121 1.559 -17.012 20.252 1.00 0.00 C ATOM 1855 O LYS A 121 0.597 -17.712 20.571 1.00 0.00 O ATOM 1856 CB LYS A 121 2.409 -17.268 22.668 1.00 0.00 C ATOM 1857 CG LYS A 121 3.498 -16.934 23.715 1.00 0.00 C ATOM 1858 CD LYS A 121 3.459 -17.853 24.965 1.00 0.00 C ATOM 1859 CE LYS A 121 3.719 -19.338 24.633 1.00 0.00 C ATOM 1860 NZ LYS A 121 5.042 -19.553 23.982 1.00 0.00 N ATOM 0 H LYS A 121 1.802 -14.779 22.189 1.00 0.00 H new ATOM 0 HA LYS A 121 3.579 -16.766 20.951 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.433 -17.020 23.085 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.414 -18.343 22.486 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.479 -17.014 23.246 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.380 -15.898 24.032 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.205 -17.511 25.683 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.486 -17.760 25.447 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.668 -19.926 25.549 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.930 -19.704 23.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.213 -20.573 23.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.047 -19.098 23.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.791 -19.138 24.573 1.00 0.00 H new ATOM 1874 N CYS A 122 1.780 -16.543 19.008 1.00 0.00 N ATOM 1875 CA CYS A 122 1.035 -16.910 17.780 1.00 0.00 C ATOM 1876 C CYS A 122 1.662 -16.131 16.603 1.00 0.00 C ATOM 1877 O CYS A 122 2.004 -14.951 16.752 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.501 -16.610 17.862 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.492 -17.810 18.828 1.00 0.00 S ATOM 0 H CYS A 122 2.518 -15.865 18.819 1.00 0.00 H new ATOM 0 HA CYS A 122 1.117 -17.988 17.644 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.637 -15.620 18.298 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -0.900 -16.570 16.848 1.00 0.00 H new ATOM 0 HG CYS A 122 -0.898 -18.052 19.959 1.00 0.00 H new ATOM 1884 N ASN A 123 1.799 -16.780 15.432 1.00 0.00 N ATOM 1885 CA ASN A 123 2.416 -16.163 14.225 1.00 0.00 C ATOM 1886 C ASN A 123 1.373 -15.391 13.374 1.00 0.00 C ATOM 1887 O ASN A 123 1.494 -15.310 12.145 1.00 0.00 O ATOM 1888 CB ASN A 123 3.143 -17.259 13.383 1.00 0.00 C ATOM 1889 CG ASN A 123 2.208 -18.350 12.836 1.00 0.00 C ATOM 1890 OD1 ASN A 123 1.939 -19.344 13.507 1.00 0.00 O ATOM 1891 ND2 ASN A 123 1.723 -18.179 11.616 1.00 0.00 N ATOM 0 H ASN A 123 1.490 -17.741 15.288 1.00 0.00 H new ATOM 0 HA ASN A 123 3.152 -15.429 14.554 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.655 -16.781 12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.910 -17.728 14.000 1.00 0.00 H new ATOM 0 HD21 ASN A 123 1.108 -18.883 11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 123 1.965 -17.343 11.084 1.00 0.00 H new ATOM 1898 N LEU A 124 0.386 -14.768 14.049 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.730 -14.066 13.390 1.00 0.00 C ATOM 1900 C LEU A 124 -1.304 -12.991 14.340 1.00 0.00 C ATOM 1901 O LEU A 124 -1.164 -13.100 15.570 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.831 -15.092 12.977 1.00 0.00 C ATOM 1903 CG LEU A 124 -3.022 -14.537 12.123 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -2.541 -13.968 10.765 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -4.113 -15.612 11.918 1.00 0.00 C ATOM 0 H LEU A 124 0.342 -14.738 15.068 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.368 -13.571 12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.354 -15.896 12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.240 -15.536 13.884 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.462 -13.713 12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.397 -13.594 10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.838 -13.154 10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.049 -14.756 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.926 -15.197 11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.685 -16.470 11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.499 -15.928 12.887 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.903 -11.932 13.765 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.652 -10.924 14.529 1.00 0.00 C ATOM 1919 C CYS A 125 -4.103 -11.430 14.691 1.00 0.00 C ATOM 1920 O CYS A 125 -4.723 -11.818 13.698 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.651 -9.544 13.809 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.204 -9.171 12.769 1.00 0.00 S ATOM 0 H CYS A 125 -1.880 -11.754 12.761 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.177 -10.784 15.500 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.543 -9.484 13.186 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.737 -8.764 14.566 1.00 0.00 H new ATOM 0 HG CYS A 125 -0.331 -8.504 13.464 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.634 -11.439 15.929 1.00 0.00 N ATOM 1928 CA LEU A 126 -6.009 -11.921 16.216 1.00 0.00 C ATOM 1929 C LEU A 126 -6.873 -10.786 16.787 1.00 0.00 C ATOM 1930 O LEU A 126 -6.377 -9.687 17.044 1.00 0.00 O ATOM 1931 CB LEU A 126 -6.002 -13.144 17.192 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.364 -14.485 16.666 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.866 -14.854 15.255 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.822 -14.473 16.736 1.00 0.00 C ATOM 0 H LEU A 126 -4.131 -11.116 16.755 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.442 -12.252 15.272 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.471 -12.850 18.097 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.033 -13.351 17.480 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.704 -15.269 17.343 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.399 -15.785 14.935 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.949 -14.979 15.275 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.606 -14.059 14.557 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.433 -15.420 16.362 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.436 -13.656 16.126 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.506 -14.334 17.770 1.00 0.00 H new ATOM 1946 N ALA A 127 -8.177 -11.065 16.958 1.00 0.00 N ATOM 1947 CA ALA A 127 -9.138 -10.112 17.540 1.00 0.00 C ATOM 1948 C ALA A 127 -9.083 -10.186 19.071 1.00 0.00 C ATOM 1949 O ALA A 127 -8.784 -11.248 19.634 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.558 -10.400 17.031 1.00 0.00 C ATOM 0 H ALA A 127 -8.594 -11.958 16.696 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.868 -9.103 17.229 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.254 -9.686 17.472 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.581 -10.307 15.945 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.848 -11.412 17.314 1.00 0.00 H new ATOM 1956 N MET A 128 -9.390 -9.063 19.740 1.00 0.00 N ATOM 1957 CA MET A 128 -9.303 -8.951 21.214 1.00 0.00 C ATOM 1958 C MET A 128 -10.484 -9.684 21.908 1.00 0.00 C ATOM 1959 O MET A 128 -10.471 -9.900 23.118 1.00 0.00 O ATOM 1960 CB MET A 128 -9.211 -7.451 21.621 1.00 0.00 C ATOM 1961 CG MET A 128 -8.849 -7.200 23.098 1.00 0.00 C ATOM 1962 SD MET A 128 -8.621 -5.452 23.503 1.00 0.00 S ATOM 1963 CE MET A 128 -7.235 -5.002 22.455 1.00 0.00 C ATOM 0 H MET A 128 -9.705 -8.208 19.281 1.00 0.00 H new ATOM 0 HA MET A 128 -8.396 -9.448 21.557 1.00 0.00 H new ATOM 0 HB2 MET A 128 -8.466 -6.964 20.992 1.00 0.00 H new ATOM 0 HB3 MET A 128 -10.168 -6.973 21.410 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.636 -7.611 23.731 1.00 0.00 H new ATOM 0 HG3 MET A 128 -7.933 -7.741 23.336 1.00 0.00 H new ATOM 0 HE1 MET A 128 -6.810 -4.059 22.799 1.00 0.00 H new ATOM 0 HE2 MET A 128 -6.475 -5.782 22.503 1.00 0.00 H new ATOM 0 HE3 MET A 128 -7.578 -4.892 21.426 1.00 0.00 H new